smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@H]1CCN(C(=O)CC2c3ccccc3CCc3ccccc32)C1 ZINC000011661520 282261085 /nfs/dbraw/zinc/26/10/85/282261085.db2.gz PGUVELJEOLYVTL-IBGZPJMESA-N 1 0 348.490 3.470 50 0 EGAARO CC[NH+]1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1 ZINC000019224000 202001527 /nfs/dbraw/zinc/00/15/27/202001527.db2.gz XJYUIKIBWLWOGL-UHFFFAOYSA-N 1 0 331.395 3.323 50 0 EGAARO COc1cccc(CN2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c1OC ZINC000019788511 202021279 /nfs/dbraw/zinc/02/12/79/202021279.db2.gz KNFCKSJZLITXJK-AEFFLSMTSA-N 1 0 332.488 3.400 50 0 EGAARO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000020191851 202035728 /nfs/dbraw/zinc/03/57/28/202035728.db2.gz QTKBRVVITIGIOE-BLLLJJGKSA-N 1 0 328.799 3.323 50 0 EGAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100349 202031616 /nfs/dbraw/zinc/03/16/16/202031616.db2.gz ZMWBJSDNPOTYNB-UHFFFAOYSA-N 1 0 326.415 3.354 50 0 EGAARO FC(F)(F)c1cccc(OC2CC[NH+](CCn3cccn3)CC2)c1 ZINC000020598113 202050195 /nfs/dbraw/zinc/05/01/95/202050195.db2.gz MZRSEQYPNBYJBH-UHFFFAOYSA-N 1 0 339.361 3.445 50 0 EGAARO Clc1ccc2nc(C[N@@H+]3CCC[C@H](N4CCOCC4)C3)ccc2c1 ZINC000020599715 202050214 /nfs/dbraw/zinc/05/02/14/202050214.db2.gz AFHPIGOAXYFGFY-SFHVURJKSA-N 1 0 345.874 3.185 50 0 EGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000023373289 202103090 /nfs/dbraw/zinc/10/30/90/202103090.db2.gz YPWDMHLBWXWMFV-GOSISDBHSA-N 1 0 336.439 3.319 50 0 EGAARO Cn1cc(-c2cccc(-c3ccn(CC[C@H]4CCC[N@@H+]4C)n3)c2)cn1 ZINC000023619539 202105383 /nfs/dbraw/zinc/10/53/83/202105383.db2.gz VVUISSKUXKRDQG-LJQANCHMSA-N 1 0 335.455 3.435 50 0 EGAARO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027579742 202157783 /nfs/dbraw/zinc/15/77/83/202157783.db2.gz NNVCMXHTUYHDNL-QGZVFWFLSA-N 1 0 336.451 3.364 50 0 EGAARO C[C@H]1CNC(=O)CC[N@@H+]1Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067725498 202276576 /nfs/dbraw/zinc/27/65/76/202276576.db2.gz KDJNEJMUZXHMOI-HNNXBMFYSA-N 1 0 346.434 3.007 50 0 EGAARO Cc1c2ccccc2[nH]c1CN1CC[N@H+](CC(C)(C)C)[C@H](CCO)C1 ZINC000036379398 202324228 /nfs/dbraw/zinc/32/42/28/202324228.db2.gz HDHBLVUOVNXRSB-QGZVFWFLSA-N 1 0 343.515 3.391 50 0 EGAARO c1ccc(CC[NH+]2CCC(c3cc(N4CCCC4)ncn3)CC2)cc1 ZINC000072434385 216229837 /nfs/dbraw/zinc/22/98/37/216229837.db2.gz KFPZWHXZJYNASN-UHFFFAOYSA-N 1 0 336.483 3.499 50 0 EGAARO COc1c(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)c(C(C)C)nn1C ZINC000058402138 201141630 /nfs/dbraw/zinc/14/16/30/201141630.db2.gz HNFDKZXPPJGCAZ-ZDUSSCGKSA-N 1 0 329.444 3.338 50 0 EGAARO COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000000189266 201357463 /nfs/dbraw/zinc/35/74/63/201357463.db2.gz AWPDVLXZHUFYBN-DJJJIMSYSA-N 1 0 329.396 3.022 50 0 biogenic EGAARO CCC[NH+]1CCC(CC(=O)N(Cc2c(C)nn(C)c2C)C(C)C)CC1 ZINC000055225580 202684865 /nfs/dbraw/zinc/68/48/65/202684865.db2.gz FHXCZNQSIGOJMM-UHFFFAOYSA-N 1 0 348.535 3.286 50 0 EGAARO COc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc(OC)c1 ZINC000022766915 212321867 /nfs/dbraw/zinc/32/18/67/212321867.db2.gz IOFRWFYMIJOVNQ-INIZCTEOSA-N 1 0 349.456 3.190 50 0 EGAARO COc1ccc(CN(C)[C@@H](C)c2ccon2)cc1C[NH+]1CCCC1 ZINC000215159901 241108935 /nfs/dbraw/zinc/10/89/35/241108935.db2.gz NBTNQNGTIDJYCZ-HNNXBMFYSA-N 1 0 329.444 3.472 50 0 EGAARO CN(C)[C@H](C(=O)NCCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000219326974 241378710 /nfs/dbraw/zinc/37/87/10/241378710.db2.gz YLQPEMSTSXVIQW-IBGZPJMESA-N 1 0 349.494 3.201 50 0 EGAARO CN(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)c2ccccc21 ZINC000219625469 241399422 /nfs/dbraw/zinc/39/94/22/241399422.db2.gz KQZBOKRBKZEYJE-CVEARBPZSA-N 1 0 337.467 3.215 50 0 EGAARO O=C(c1ccccn1)[C@@H]1CCC[N@H+](CCn2cnc3ccccc32)C1 ZINC000244715782 243061986 /nfs/dbraw/zinc/06/19/86/243061986.db2.gz LCEAGOKWLMXSOR-MRXNPFEDSA-N 1 0 334.423 3.026 50 0 EGAARO COc1cc(C[NH2+]CCO)ccc1OCc1ccc(F)cc1Cl ZINC000006704013 201691463 /nfs/dbraw/zinc/69/14/63/201691463.db2.gz CFNIXCWKDZESFJ-UHFFFAOYSA-N 1 0 339.794 3.149 50 0 EGAARO CCc1ccc(NC(=O)CCN(C)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000244763982 243077514 /nfs/dbraw/zinc/07/75/14/243077514.db2.gz OZCRWIDYRCWZHN-QGZVFWFLSA-N 1 0 331.504 3.384 50 0 EGAARO O=C(Cc1ccsc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252480205 243765646 /nfs/dbraw/zinc/76/56/46/243765646.db2.gz BXXPICAJRPOPKS-UHFFFAOYSA-N 1 0 338.542 3.014 50 0 EGAARO CCn1cc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c2ccccc21 ZINC000071767870 203111993 /nfs/dbraw/zinc/11/19/93/203111993.db2.gz FNFLEQLKWTZJRK-QGZVFWFLSA-N 1 0 325.456 3.248 50 0 EGAARO CC[C@@H]1C[N@H+](CCc2ccccn2)CCC(=O)N1Cc1ccccc1 ZINC000071749168 203106064 /nfs/dbraw/zinc/10/60/64/203106064.db2.gz LFFXUKAPYOJDNS-HXUWFJFHSA-N 1 0 337.467 3.137 50 0 EGAARO Cc1ccsc1-c1nc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(C)o1 ZINC000071751854 203108134 /nfs/dbraw/zinc/10/81/34/203108134.db2.gz KIOXJSSQQOVSRO-UHFFFAOYSA-N 1 0 345.468 3.122 50 0 EGAARO O=C(NCCc1ccccc1Cl)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072135509 203167786 /nfs/dbraw/zinc/16/77/86/203167786.db2.gz AKWUNAISPINPDC-HNNXBMFYSA-N 1 0 328.843 3.389 50 0 EGAARO c1ccc(OCCN(Cc2cccnc2)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000072148334 203171850 /nfs/dbraw/zinc/17/18/50/203171850.db2.gz ADRLUVKDYYJPLJ-NRFANRHFSA-N 1 0 337.467 3.057 50 0 EGAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)cc(=O)[nH]1 ZINC000072155004 203174831 /nfs/dbraw/zinc/17/48/31/203174831.db2.gz IBODSAFBHXBEPX-INIZCTEOSA-N 1 0 334.423 3.006 50 0 EGAARO Cc1cc(C)cc(CSCC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000072156732 203175320 /nfs/dbraw/zinc/17/53/20/203175320.db2.gz DXJAAYGICZOMHS-SFHVURJKSA-N 1 0 334.529 3.479 50 0 EGAARO CCC1(CC)CN(C(=O)c2ccc(C[C@H]3CCC[NH2+]C3)cc2)CCO1 ZINC000072158663 203176004 /nfs/dbraw/zinc/17/60/04/203176004.db2.gz ROLUIQHKTWYCJH-GOSISDBHSA-N 1 0 344.499 3.260 50 0 EGAARO Cc1cnn(CCC[N@@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072159373 203176037 /nfs/dbraw/zinc/17/60/37/203176037.db2.gz KKKSHLXBWFLKGF-IBGZPJMESA-N 1 0 325.456 3.105 50 0 EGAARO O=C(NCc1ccc2c(c1)CCCO2)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072166650 203179021 /nfs/dbraw/zinc/17/90/21/203179021.db2.gz PSPMVWAGATXLOK-LJQANCHMSA-N 1 0 336.435 3.019 50 0 EGAARO Cc1nn(C)c(C)c1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072167648 203179893 /nfs/dbraw/zinc/17/98/93/203179893.db2.gz PHLQPNFKPUSPOA-UHFFFAOYSA-N 1 0 340.515 3.177 50 0 EGAARO Cc1c[nH+]ccc1NCCn1ccnc1-c1ccc2c(c1)OCCO2 ZINC000072168587 203180775 /nfs/dbraw/zinc/18/07/75/203180775.db2.gz XWNLELYPTKQKTD-UHFFFAOYSA-N 1 0 336.395 3.137 50 0 EGAARO COc1ccc(F)c(F)c1CN1CCC[N@H+](Cc2cccnc2)CC1 ZINC000072174109 203181901 /nfs/dbraw/zinc/18/19/01/203181901.db2.gz QJIQJQVSYHTPFX-UHFFFAOYSA-N 1 0 347.409 3.076 50 0 EGAARO COc1cccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1OC ZINC000020166724 212108514 /nfs/dbraw/zinc/10/85/14/212108514.db2.gz UQLYIKOUEGDMJO-GOSISDBHSA-N 1 0 326.440 3.193 50 0 EGAARO C[C@H](Nc1nc(C2CCCC2)nc2c1CC[NH2+]CC2)c1nccs1 ZINC000072462601 203228038 /nfs/dbraw/zinc/22/80/38/203228038.db2.gz ZDOKSPVCCZNQRM-LBPRGKRZSA-N 1 0 343.500 3.452 50 0 EGAARO CC(C)(O)CCc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000072473224 203231239 /nfs/dbraw/zinc/23/12/39/203231239.db2.gz PVDBXTLXYHKLGW-UHFFFAOYSA-N 1 0 344.499 3.091 50 0 EGAARO Cc1cc(N2CCC[C@H](CCc3ccc(F)cc3F)C2)nc(N)[nH+]1 ZINC000072408409 203216375 /nfs/dbraw/zinc/21/63/75/203216375.db2.gz UUKZPTFZWMVSSE-CYBMUJFWSA-N 1 0 332.398 3.495 50 0 EGAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000072408472 203216498 /nfs/dbraw/zinc/21/64/98/203216498.db2.gz CHLKWQWGUQDICT-IBGZPJMESA-N 1 0 348.874 3.489 50 0 EGAARO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(SCCc3ccccn3)cc2)C1 ZINC000072429943 203222619 /nfs/dbraw/zinc/22/26/19/203222619.db2.gz MNPOZHTTZBHRGA-LSDHHAIUSA-N 1 0 341.480 3.482 50 0 EGAARO CCNc1nc(NCCNC(=O)c2cccc3ccccc32)cc(C)[nH+]1 ZINC000072437922 203223887 /nfs/dbraw/zinc/22/38/87/203223887.db2.gz CNVYPJUMDBMVNF-UHFFFAOYSA-N 1 0 349.438 3.212 50 0 EGAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000077356688 203383346 /nfs/dbraw/zinc/38/33/46/203383346.db2.gz ZQRNGPYYWPQDPQ-SFHVURJKSA-N 1 0 341.455 3.408 50 0 EGAARO Cc1ccc([C@@H]2CN(C(=O)CCc3ccco3)C[C@H]2[NH+](C)C)cc1 ZINC000077408428 203387410 /nfs/dbraw/zinc/38/74/10/203387410.db2.gz KBNUNTWVSPKXDH-RBUKOAKNSA-N 1 0 326.440 3.077 50 0 EGAARO c1cnn(Cc2ccc(CN3CCC[N@@H+](C4CCCC4)CC3)cc2)c1 ZINC000077537320 203394117 /nfs/dbraw/zinc/39/41/17/203394117.db2.gz UHKHSXQVCMXHTN-UHFFFAOYSA-N 1 0 338.499 3.382 50 0 EGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cnn(C(C)C)c2)s1 ZINC000102541089 204040048 /nfs/dbraw/zinc/04/00/48/204040048.db2.gz CXUQMVREGKKRCJ-UHFFFAOYSA-N 1 0 334.489 3.038 50 0 EGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000012377663 207128532 /nfs/dbraw/zinc/12/85/32/207128532.db2.gz BEXFKBNLQVOIOG-BFYDXBDKSA-N 1 0 341.879 3.074 50 0 EGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc4c(ccn4C)c3)[C@H]2C1 ZINC000426580760 257962420 /nfs/dbraw/zinc/96/24/20/257962420.db2.gz LGXPYAOJPBRRTQ-YZGWKJHDSA-N 1 0 328.456 3.337 50 0 EGAARO Cc1nn(CCCNC(=O)C2([NH+]3CCCC3)CCCCC2)c(C)c1C ZINC000299776264 258086706 /nfs/dbraw/zinc/08/67/06/258086706.db2.gz MRHNKUSLYPIBPW-UHFFFAOYSA-N 1 0 346.519 3.113 50 0 EGAARO C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCC(CCn2cccn2)CC1 ZINC000299789045 258094747 /nfs/dbraw/zinc/09/47/47/258094747.db2.gz ZWBWZOAGPGIGGW-OAHLLOKOSA-N 1 0 344.434 3.152 50 0 EGAARO O=C(NCCc1cccc(Cl)c1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000096165230 258067762 /nfs/dbraw/zinc/06/77/62/258067762.db2.gz DCHVFNICPSIFCQ-GFCCVEGCSA-N 1 0 327.255 3.042 50 0 EGAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1cccc(-c2ncc[nH]2)c1 ZINC000299760335 258077036 /nfs/dbraw/zinc/07/70/36/258077036.db2.gz QHFVEFRMDQOGSO-QGZVFWFLSA-N 1 0 338.455 3.214 50 0 EGAARO COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000003779067 274141354 /nfs/dbraw/zinc/14/13/54/274141354.db2.gz YBHILYKTIRIUTE-UHFFFAOYSA-N 1 0 336.367 3.096 50 0 metabolite,world EGAARO Cc1c(C[NH+]2CCC(C(N)=O)CC2)c2ccccc2n1CC(C)C ZINC000065371365 274661054 /nfs/dbraw/zinc/66/10/54/274661054.db2.gz OPDXGLBKDAAZQG-UHFFFAOYSA-N 1 0 327.472 3.303 50 0 EGAARO Fc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 ZINC000002527998 274910462 /nfs/dbraw/zinc/91/04/62/274910462.db2.gz WGBQCICBYVBTOQ-UHFFFAOYSA-N 1 0 335.337 3.489 50 0 EGAARO CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1[C@H]1Sc3sc4ccccc4[n+]3[C@@H]12 ZINC000035325850 276289448 /nfs/dbraw/zinc/28/94/48/276289448.db2.gz OSGPBPGTQOEBCQ-SPSJUYOASA-N 1 0 332.470 3.423 50 0 EGAARO COc1cccc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)c1 ZINC000240662381 278007598 /nfs/dbraw/zinc/00/75/98/278007598.db2.gz PKNFKKOJNHFPGT-SFHVURJKSA-N 1 0 338.451 3.223 50 0 EGAARO Cc1ccc2nc(C)c(C)c(C(=O)N3CC([NH+]4CCCCC4)C3)c2c1 ZINC000095530487 281152848 /nfs/dbraw/zinc/15/28/48/281152848.db2.gz NQDNLNZZABZXMV-UHFFFAOYSA-N 1 0 337.467 3.470 50 0 EGAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccnc2)cc1 ZINC000077353699 289224763 /nfs/dbraw/zinc/22/47/63/289224763.db2.gz XZMJHKPRYQIIGC-HXUWFJFHSA-N 1 0 337.467 3.440 50 0 EGAARO COc1cc(Cl)c(CN2CC([N@@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000240163552 455263837 /nfs/dbraw/zinc/26/38/37/455263837.db2.gz JBXBQMBRPRLAEJ-CYBMUJFWSA-N 1 0 338.879 3.416 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212095 452537159 /nfs/dbraw/zinc/53/71/59/452537159.db2.gz BXUMZSCTKAQEKH-SFHVURJKSA-N 1 0 330.472 3.310 50 0 EGAARO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000000239852 452544356 /nfs/dbraw/zinc/54/43/56/452544356.db2.gz YLTGSPQHHXLLCQ-NVXWUHKLSA-N 1 0 346.471 3.040 50 0 EGAARO CCCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCC3)C2=O)cc1 ZINC000002320223 452692409 /nfs/dbraw/zinc/69/24/09/452692409.db2.gz SQSCYMPIEOYBBS-KRWDZBQOSA-N 1 0 330.428 3.030 50 0 EGAARO CCOc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccccc1 ZINC000002845522 452730579 /nfs/dbraw/zinc/73/05/79/452730579.db2.gz BQEDEKUZTKIWNL-UHFFFAOYSA-N 1 0 335.831 3.400 50 0 EGAARO Cc1cccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1 ZINC000003908611 452788640 /nfs/dbraw/zinc/78/86/40/452788640.db2.gz ZPERLHBRRCPJLJ-UHFFFAOYSA-N 1 0 347.422 3.436 50 0 EGAARO C[NH+](C)C1(CNC(=O)c2ccc(Br)cc2)CCCCC1 ZINC000005457300 452875169 /nfs/dbraw/zinc/87/51/69/452875169.db2.gz RHNRWKLWYAKABH-UHFFFAOYSA-N 1 0 339.277 3.443 50 0 EGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000006703222 452974397 /nfs/dbraw/zinc/97/43/97/452974397.db2.gz ODZMSERAZVSQKF-CQSZACIVSA-N 1 0 325.836 3.384 50 0 EGAARO COc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000006731609 452978487 /nfs/dbraw/zinc/97/84/87/452978487.db2.gz GPUAFMFVGCEDQL-UHFFFAOYSA-N 1 0 339.439 3.481 50 0 EGAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000011934713 453339683 /nfs/dbraw/zinc/33/96/83/453339683.db2.gz PKXLKSVQUWHYJE-FQEVSTJZSA-N 1 0 341.455 3.106 50 0 EGAARO CC[N@H+](CCn1cccn1)Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000012057644 453341954 /nfs/dbraw/zinc/34/19/54/453341954.db2.gz RMGHOFSZMZIASE-UHFFFAOYSA-N 1 0 343.862 3.459 50 0 EGAARO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000012387837 453359411 /nfs/dbraw/zinc/35/94/11/453359411.db2.gz IKPVPPQXTJCFFU-INIZCTEOSA-N 1 0 343.402 3.114 50 0 EGAARO CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000012450628 453363697 /nfs/dbraw/zinc/36/36/97/453363697.db2.gz LGXVAOBFHWNSOX-HNNXBMFYSA-N 1 0 329.469 3.301 50 0 EGAARO Cc1cc2c(cc1C)[n+](C[C@@H](O)COc1ccc(Cl)cc1)cn2C ZINC000013425416 453463193 /nfs/dbraw/zinc/46/31/93/453463193.db2.gz UIXNINGHNXOHRR-MRXNPFEDSA-N 1 0 345.850 3.176 50 0 EGAARO OCCOc1ccccc1C[N@@H+]1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000014980475 453549299 /nfs/dbraw/zinc/54/92/99/453549299.db2.gz MSCYHVWPIXHPBB-IBGZPJMESA-N 1 0 344.430 3.273 50 0 EGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCOc2ccccc2Cl)C1 ZINC000016527055 453611048 /nfs/dbraw/zinc/61/10/48/453611048.db2.gz JZFBWTAJYYSSFX-CQSZACIVSA-N 1 0 325.836 3.384 50 0 EGAARO CCC[NH+]1CCC(NC(=O)c2c(C)onc2-c2ccccc2)CC1 ZINC000016604171 453614890 /nfs/dbraw/zinc/61/48/90/453614890.db2.gz PBHUUJCPFZRNJV-UHFFFAOYSA-N 1 0 327.428 3.254 50 0 EGAARO 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CCC[C@H]1C=CCN1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000426491407 457842207 /nfs/dbraw/zinc/84/22/07/457842207.db2.gz JRRBNPWRPZDKMP-IBGZPJMESA-N 1 0 341.499 3.400 50 0 EGAARO CC[C@H](NC(=O)c1ccc(C)c(OCC[NH3+])c1)c1nc(C)c(C)s1 ZINC000426534082 457850435 /nfs/dbraw/zinc/85/04/35/457850435.db2.gz RAPATGXLNAFWBJ-HNNXBMFYSA-N 1 0 347.484 3.287 50 0 EGAARO Cc1cc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)cc2)cc(C)c1O ZINC000426578885 457857282 /nfs/dbraw/zinc/85/72/82/457857282.db2.gz WPHMVSKMNNBHMC-LJQANCHMSA-N 1 0 338.451 3.452 50 0 EGAARO Cc1nccnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000426619986 457863440 /nfs/dbraw/zinc/86/34/40/457863440.db2.gz GBXAOEYDYIKGMP-FQEVSTJZSA-N 1 0 340.446 3.417 50 0 EGAARO C[NH+]1CCC(N(Cc2cccnc2)C(=O)NCC2=CCCCC2)CC1 ZINC000534587797 459335501 /nfs/dbraw/zinc/33/55/01/459335501.db2.gz OFYVZTOZGANWBZ-UHFFFAOYSA-N 1 0 342.487 3.188 50 0 EGAARO CC[NH+](CC)CCNC(=O)c1ccc(-c2cnn3ccccc23)cc1 ZINC000534586827 459336058 /nfs/dbraw/zinc/33/60/58/459336058.db2.gz 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CC(C)NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)C2CCCCC2)cc1 ZINC000952966528 1334626426 /nfs/dbraw/zinc/62/64/26/1334626426.db2.gz VICSPQAAABFTBV-OAHLLOKOSA-N 1 0 345.487 3.416 50 0 EGAARO CC[N@@H+]1CCC[C@H]1C(=O)NCCOC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000952968599 1334627238 /nfs/dbraw/zinc/62/72/38/1334627238.db2.gz NKEABOCEOOAKDW-MKYAEOHRSA-N 1 0 348.531 3.353 50 0 EGAARO C[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1ccnn1-c1ccccc1 ZINC000952976547 1334628561 /nfs/dbraw/zinc/62/85/61/1334628561.db2.gz MVWCDYRDMGQUKF-SFHVURJKSA-N 1 0 346.478 3.409 50 0 EGAARO CN(Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000952991844 1334632008 /nfs/dbraw/zinc/63/20/08/1334632008.db2.gz TXVMOLZAAWQHSU-HNNXBMFYSA-N 1 0 347.890 3.024 50 0 EGAARO C[N@H+](CC(=O)Nc1ccccc1OC[C@H]1CCCO1)C1CCCC1 ZINC000952990288 1334632151 /nfs/dbraw/zinc/63/21/51/1334632151.db2.gz HSMUSVCDMZJCPX-MRXNPFEDSA-N 1 0 332.444 3.057 50 0 EGAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001704316637 1416440527 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Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019841470 202024504 /nfs/dbraw/zinc/02/45/04/202024504.db2.gz KOJXTANAHHYAPC-UHFFFAOYSA-N 1 0 337.467 3.141 50 0 EGAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCN2CCOCC2)o1 ZINC000020018573 202029049 /nfs/dbraw/zinc/02/90/49/202029049.db2.gz POMBIJBCDZGKNB-UHFFFAOYSA-N 1 0 334.847 3.330 50 0 EGAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)cc1 ZINC000020102918 202032228 /nfs/dbraw/zinc/03/22/28/202032228.db2.gz KMSDIYOJCPHXQE-UHFFFAOYSA-N 1 0 332.488 3.138 50 0 EGAARO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000020191848 202036032 /nfs/dbraw/zinc/03/60/32/202036032.db2.gz QTKBRVVITIGIOE-WBMJQRKESA-N 1 0 328.799 3.323 50 0 EGAARO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020438180 202041383 /nfs/dbraw/zinc/04/13/83/202041383.db2.gz BMLGJLCTFKLNFU-NRFANRHFSA-N 1 0 349.478 3.328 50 0 EGAARO OCC[C@@H]1CN(Cc2ccc3ncccc3c2)CC[N@@H+]1C1CCCC1 ZINC000020535664 202047203 /nfs/dbraw/zinc/04/72/03/202047203.db2.gz 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202102968 /nfs/dbraw/zinc/10/29/68/202102968.db2.gz PIWFYVRZNQCJGD-AMGQUURNSA-N 1 0 342.508 3.330 50 0 EGAARO Cc1ccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582146 202157453 /nfs/dbraw/zinc/15/74/53/202157453.db2.gz IINZPFXRQKNWPR-QGZVFWFLSA-N 1 0 344.480 3.389 50 0 EGAARO Cc1nc(COc2ccc(C)cc2)sc1C(=O)NCCC[NH+](C)C ZINC000036107983 202315853 /nfs/dbraw/zinc/31/58/53/202315853.db2.gz ACCGJPRYJRGNNK-UHFFFAOYSA-N 1 0 347.484 3.020 50 0 EGAARO Cc1nc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cs1 ZINC000072433126 216226666 /nfs/dbraw/zinc/22/66/66/216226666.db2.gz JYWJILVDVLGYLP-UHFFFAOYSA-N 1 0 345.512 3.178 50 0 EGAARO O[C@@H](COc1ccc(OCc2ccccc2)cc1)C[NH+]1CCCCC1 ZINC000004197153 201055583 /nfs/dbraw/zinc/05/55/83/201055583.db2.gz DWUSGPIVURZHPP-LJQANCHMSA-N 1 0 341.451 3.491 50 0 EGAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1csc(-c3ccco3)n1)CC2 ZINC000097199433 201382624 /nfs/dbraw/zinc/38/26/24/201382624.db2.gz YEPIVGSCRUIQSY-LBPRGKRZSA-N 1 0 343.456 3.223 50 0 EGAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc(-c3ccc(F)cc3)o1)CC2 ZINC000097199499 201383529 /nfs/dbraw/zinc/38/35/29/201383529.db2.gz LGEBKZGLPDADFS-HNNXBMFYSA-N 1 0 340.402 3.344 50 0 EGAARO O=C(NCc1cccs1)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000022679135 212315749 /nfs/dbraw/zinc/31/57/49/212315749.db2.gz UJLMONQNULWHKD-HNNXBMFYSA-N 1 0 335.498 3.446 50 0 EGAARO Cc1n[nH]c(C2CC[NH+](Cc3cc4cc(F)ccc4n3C)CC2)n1 ZINC000215749537 241143924 /nfs/dbraw/zinc/14/39/24/241143924.db2.gz XNIJGAQZSUTCCQ-UHFFFAOYSA-N 1 0 327.407 3.124 50 0 EGAARO CC1=CC[N@H+](Cc2ccccc2OCC(=O)N2CCC(C)CC2)CC1 ZINC000216073583 241161842 /nfs/dbraw/zinc/16/18/42/241161842.db2.gz MEDNVSSWVQUJRN-UHFFFAOYSA-N 1 0 342.483 3.476 50 0 EGAARO CCSc1ncc(CN2CCCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000216506957 241199419 /nfs/dbraw/zinc/19/94/19/241199419.db2.gz BEBFMMLAXALFKC-UHFFFAOYSA-N 1 0 343.500 3.004 50 0 EGAARO c1cnc2cccc(CN3CC[NH+](C4CCSCC4)CC3)c2c1 ZINC000215394425 241123618 /nfs/dbraw/zinc/12/36/18/241123618.db2.gz NVLIQWFRRBIPGH-UHFFFAOYSA-N 1 0 327.497 3.248 50 0 EGAARO COc1ccc([C@H]2[C@H](C[NH+]3CCCC3)C(=O)N2c2ccccc2)cc1 ZINC000005527109 201654298 /nfs/dbraw/zinc/65/42/98/201654298.db2.gz FXMKLPNAYWFQAD-PMACEKPBSA-N 1 0 336.435 3.495 50 0 EGAARO Nc1nc(NCC2(c3ccc(Cl)cc3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244734964 243074385 /nfs/dbraw/zinc/07/43/85/243074385.db2.gz NQPVPNXEAUYEDU-VDISTLRHSA-N 1 0 344.846 3.094 50 0 EGAARO Cc1nc(CC(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)cs1 ZINC000244774135 243079281 /nfs/dbraw/zinc/07/92/81/243079281.db2.gz POLOUBYSRHGCEN-KRWDZBQOSA-N 1 0 347.459 3.086 50 0 EGAARO [NH3+][C@H]1C[C@H](c2cc(N3CCC(Cc4ccccc4F)CC3)ncn2)C1 ZINC000244873024 243092737 /nfs/dbraw/zinc/09/27/37/243092737.db2.gz WIUGNWBDWJCTOK-QAQDUYKDSA-N 1 0 340.446 3.280 50 0 EGAARO COCc1cccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000069521322 203013081 /nfs/dbraw/zinc/01/30/81/203013081.db2.gz FKQDVELDWWKJFY-GOSISDBHSA-N 1 0 342.439 3.301 50 0 EGAARO Brc1cncc(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000071255625 203088890 /nfs/dbraw/zinc/08/88/90/203088890.db2.gz LJULJEIXEDMQCI-UHFFFAOYSA-N 1 0 332.245 3.166 50 0 EGAARO CC[C@@H]1C[N@H+](Cc2ncccc2C)CCC(=O)N1Cc1ccccc1 ZINC000071748136 203107122 /nfs/dbraw/zinc/10/71/22/203107122.db2.gz NILFSHLEMPBRRV-LJQANCHMSA-N 1 0 337.467 3.403 50 0 EGAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccco2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072127176 203165535 /nfs/dbraw/zinc/16/55/35/203165535.db2.gz SQCOBLHKOOLGCJ-CEWLAPEOSA-N 1 0 338.451 3.350 50 0 EGAARO CCC[N@@H+]1CCC[C@@H](Nc2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072129784 203166456 /nfs/dbraw/zinc/16/64/56/203166456.db2.gz SUPFUCWGUSCHJQ-OAHLLOKOSA-N 1 0 342.491 3.307 50 0 EGAARO CN(C)C(=O)C[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072135313 203166926 /nfs/dbraw/zinc/16/69/26/203166926.db2.gz AZIXFIIROBUIAV-HNNXBMFYSA-N 1 0 342.405 3.438 50 0 EGAARO Cc1ccc([C@@H]2C[N@H+](Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072145091 203170195 /nfs/dbraw/zinc/17/01/95/203170195.db2.gz TXVKGCDLFLPJCV-BHDDXSALSA-N 1 0 333.479 3.452 50 0 EGAARO CCc1nn(C)c(Cl)c1CN1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000072144124 203170330 /nfs/dbraw/zinc/17/03/30/203170330.db2.gz DKSKYQYEPARVBR-UHFFFAOYSA-N 1 0 347.894 3.052 50 0 EGAARO CCCCC(=O)N1C[C@@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072146394 203171320 /nfs/dbraw/zinc/17/13/20/203171320.db2.gz RIDTWPTXZHVANI-CEWLAPEOSA-N 1 0 342.483 3.274 50 0 EGAARO Cc1ccc([C@H]2C[N@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072146653 203172230 /nfs/dbraw/zinc/17/22/30/203172230.db2.gz GHQVGTPEAKUWMS-YPAWHYETSA-N 1 0 333.479 3.452 50 0 EGAARO Cc1nnnn1CCC[N@@H+]1CCC[C@@H](CCc2ccccc2C)C1 ZINC000072156814 203174493 /nfs/dbraw/zinc/17/44/93/203174493.db2.gz GLKKZHQNJWLZJR-SFHVURJKSA-N 1 0 327.476 3.025 50 0 EGAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2[nH]cc(C)c(=O)c2C)CC1 ZINC000072158540 203175678 /nfs/dbraw/zinc/17/56/78/203175678.db2.gz JGJZGUKHFUFRDN-UHFFFAOYSA-N 1 0 338.451 3.115 50 0 EGAARO C[NH+](C)[C@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000072167449 203178693 /nfs/dbraw/zinc/17/86/93/203178693.db2.gz HHYXKAQLRJCVOS-AWEZNQCLSA-N 1 0 344.377 3.027 50 0 EGAARO CCC[C@H](C)N1CC2(CC[NH+](Cc3cnn(CC)c3C)CC2)OC1=O ZINC000072453633 203226784 /nfs/dbraw/zinc/22/67/84/203226784.db2.gz FTGNCEXDRVMVDQ-HNNXBMFYSA-N 1 0 348.491 3.187 50 0 EGAARO C[C@@H](C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1)n1ccnc1 ZINC000072462938 203227885 /nfs/dbraw/zinc/22/78/85/203227885.db2.gz URSDDPQLTPNXLF-KRWDZBQOSA-N 1 0 332.492 3.091 50 0 EGAARO c1cn(Cc2ccc3sccc3c2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072435923 203224036 /nfs/dbraw/zinc/22/40/36/203224036.db2.gz NFVAAYZWFPDHKJ-UHFFFAOYSA-N 1 0 335.436 3.113 50 0 EGAARO CSc1cccc(CN2CCC[C@H]([NH+]3CCC(CO)CC3)C2)c1 ZINC000019836794 212073890 /nfs/dbraw/zinc/07/38/90/212073890.db2.gz SRSFRONVOMSWCT-SFHVURJKSA-N 1 0 334.529 3.077 50 0 EGAARO C[C@H](c1ccc(-c2nccn2CCC(=O)N2CCCC2)cc1)[NH+](C)C ZINC000077355580 203382204 /nfs/dbraw/zinc/38/22/04/203382204.db2.gz AAJNQKLDNQBYBT-MRXNPFEDSA-N 1 0 340.471 3.185 50 0 EGAARO C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H]([NH3+])C[C@@]12C ZINC000257355775 244583388 /nfs/dbraw/zinc/58/33/88/244583388.db2.gz CPKSZCHVHHSWHU-ASHAZMJFSA-N 1 0 335.532 3.324 50 0 EGAARO CCCCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077472051 203390104 /nfs/dbraw/zinc/39/01/04/203390104.db2.gz XMAUTWJXCQMFHJ-FQEVSTJZSA-N 1 0 344.503 3.180 50 0 EGAARO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1C(=O)c1ccccc1 ZINC000095918197 203768528 /nfs/dbraw/zinc/76/85/28/203768528.db2.gz QCFQXUMLJGVCJR-WBVHZDCISA-N 1 0 327.424 3.045 50 0 EGAARO CC(C)=CC[N@@H+]1CCN(c2cc(C)c3ccccc3n2)C[C@@H]1CCO ZINC000107012231 204223732 /nfs/dbraw/zinc/22/37/32/204223732.db2.gz PVGJAQBSWHJKCC-SFHVURJKSA-N 1 0 339.483 3.382 50 0 EGAARO O=C(COc1ccccc1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971597 204290997 /nfs/dbraw/zinc/29/09/97/204290997.db2.gz QBFLTPDPJIISKW-UHFFFAOYSA-N 1 0 344.480 3.155 50 0 EGAARO Cc1ncsc1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000097527941 219033238 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O=C1C[C@H](C[NH+]2CCC(Cc3cccnc3)CC2)CN1c1ccccc1 ZINC000299760582 258077710 /nfs/dbraw/zinc/07/77/10/258077710.db2.gz VDNCNHFPHJDDCN-HXUWFJFHSA-N 1 0 349.478 3.389 50 0 EGAARO Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2N1CC[NH+](C)CC1 ZINC000040216885 132399167 /nfs/dbraw/zinc/39/91/67/132399167.db2.gz FTBZVMQWNKXQAR-UHFFFAOYSA-N 1 0 335.455 3.073 50 0 EGAARO CC[C@@H](C)[NH2+]C1CCN(c2ccc(CC(=O)N3CCCC3)cc2)CC1 ZINC000011882182 135691241 /nfs/dbraw/zinc/69/12/41/135691241.db2.gz KMVKTHHWFKRADD-QGZVFWFLSA-N 1 0 343.515 3.208 50 0 EGAARO CCc1nc(C)sc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000067642628 262532473 /nfs/dbraw/zinc/53/24/73/262532473.db2.gz JMKFASOFKZFXGB-UHFFFAOYSA-N 1 0 330.501 3.163 50 0 EGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccnc3)=NN12 ZINC000004811562 273872187 /nfs/dbraw/zinc/87/21/87/273872187.db2.gz FXPUZKHAUFSKGS-GOSISDBHSA-N 1 0 334.423 3.047 50 0 EGAARO CC1(C)CNC(=O)c2[nH]c(C[C@@H]3CCCC[N@@H+]3C3CCCC3)nc2C1 ZINC000095353904 278349962 /nfs/dbraw/zinc/34/99/62/278349962.db2.gz 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O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000014970192 453549728 /nfs/dbraw/zinc/54/97/28/453549728.db2.gz GAUBWGHVPJOKJW-KRWDZBQOSA-N 1 0 325.408 3.366 50 0 EGAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000015860028 453587787 /nfs/dbraw/zinc/58/77/87/453587787.db2.gz IRPDTQYTZGSCQE-SFHVURJKSA-N 1 0 342.439 3.310 50 0 EGAARO CCC[NH+]1CCC(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)CC1 ZINC000016604683 453614967 /nfs/dbraw/zinc/61/49/67/453614967.db2.gz HKYHQJWZEBVXRH-LJQANCHMSA-N 1 0 332.488 3.397 50 0 EGAARO CCn1c(C)cc(O)c([C@@H](c2ccccn2)[NH+]2CCC(C)CC2)c1=O ZINC000022697393 453697409 /nfs/dbraw/zinc/69/74/09/453697409.db2.gz JSMOEWNMUMVRSE-LJQANCHMSA-N 1 0 341.455 3.099 50 0 EGAARO CC(C)[N@@H+]1CCC[C@@H](CCNC(=O)c2coc3c2C(=O)CCC3)C1 ZINC000067587350 453946014 /nfs/dbraw/zinc/94/60/14/453946014.db2.gz CRUSOMACKQCPRG-AWEZNQCLSA-N 1 0 332.444 3.039 50 0 EGAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3nccn3C)C2)cc1 ZINC000067641300 453952154 /nfs/dbraw/zinc/95/21/54/453952154.db2.gz NEDQOHGMCSRQSW-KRWDZBQOSA-N 1 0 335.455 3.498 50 0 EGAARO O=C(CC1CCCC1)NCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000067650223 453953000 /nfs/dbraw/zinc/95/30/00/453953000.db2.gz DOFIGSVXWPZQMN-UHFFFAOYSA-N 1 0 330.472 3.301 50 0 EGAARO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccn3)C3CC3)cc2c1 ZINC000067679099 453954910 /nfs/dbraw/zinc/95/49/10/453954910.db2.gz VCVUSJDQMQSLIJ-UHFFFAOYSA-N 1 0 335.407 3.096 50 0 EGAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000067740617 453961150 /nfs/dbraw/zinc/96/11/50/453961150.db2.gz YZSQXAKXGXGGEG-FQEVSTJZSA-N 1 0 340.471 3.062 50 0 EGAARO C[NH2+]CC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067805313 453968028 /nfs/dbraw/zinc/96/80/28/453968028.db2.gz WFECJIRLQRMHTI-UHFFFAOYSA-N 1 0 347.418 3.113 50 0 EGAARO Cc1ccc(NC2(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CCCC2)cc1 ZINC000067819205 453969260 /nfs/dbraw/zinc/96/92/60/453969260.db2.gz IHEJTPCTDKJRAL-KRWDZBQOSA-N 1 0 329.488 3.178 50 0 EGAARO Cc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)[nH]1 ZINC000067834052 453971559 /nfs/dbraw/zinc/97/15/59/453971559.db2.gz FSBZKMGZSZGEAC-IBGZPJMESA-N 1 0 348.491 3.189 50 0 EGAARO CCCc1nc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)cs1 ZINC000055284689 453973990 /nfs/dbraw/zinc/97/39/90/453973990.db2.gz UDQVMXDVQYAPAK-AWEZNQCLSA-N 1 0 347.484 3.217 50 0 EGAARO CNc1ccc(C)cc1C(=O)N1CCC2(CC1)CCC[N@H+](C)CC2 ZINC000067869337 453974893 /nfs/dbraw/zinc/97/48/93/453974893.db2.gz FCNAHMOAEVYZDP-UHFFFAOYSA-N 1 0 329.488 3.375 50 0 EGAARO CC[C@H](CO)[N@H+](CCCn1nc(C)cc1C)Cc1ccc(F)cc1 ZINC000055308245 453975382 /nfs/dbraw/zinc/97/53/82/453975382.db2.gz GYOXLIXULLNRGA-LJQANCHMSA-N 1 0 333.451 3.302 50 0 EGAARO CC[NH+](CC)[C@@H]1CCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000067880299 453976251 /nfs/dbraw/zinc/97/62/51/453976251.db2.gz GLVDJOZMNPTJFV-MRXNPFEDSA-N 1 0 333.863 3.098 50 0 EGAARO CC(C)NC(=O)NC[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067880096 453976268 /nfs/dbraw/zinc/97/62/68/453976268.db2.gz VRTITMXYNMDGOD-OAHLLOKOSA-N 1 0 328.460 3.088 50 0 EGAARO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)c3sccc3Cl)C2)n1 ZINC000067909479 453979643 /nfs/dbraw/zinc/97/96/43/453979643.db2.gz VAOWNYMRTBGFSL-CYBMUJFWSA-N 1 0 349.887 3.357 50 0 EGAARO C[NH2+]C1CCN(Cc2nc(-c3ccc(OC)c(C)c3C)oc2C)CC1 ZINC000067955459 453983581 /nfs/dbraw/zinc/98/35/81/453983581.db2.gz ITVSHCSBWQQOMQ-UHFFFAOYSA-N 1 0 343.471 3.459 50 0 EGAARO Cc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)cc2)cc1 ZINC000055414180 453983906 /nfs/dbraw/zinc/98/39/06/453983906.db2.gz VJFOWVFDMUGMKN-FQEVSTJZSA-N 1 0 337.467 3.383 50 0 EGAARO Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)COC3)[NH+]2CCCC2)o1 ZINC000069347940 454097066 /nfs/dbraw/zinc/09/70/66/454097066.db2.gz YWSBHRRLRGLTRC-SFHVURJKSA-N 1 0 340.423 3.185 50 0 EGAARO CC(C)[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000095361997 454196922 /nfs/dbraw/zinc/19/69/22/454196922.db2.gz FQJCDQHCETZFHA-DZGCQCFKSA-N 1 0 328.378 3.364 50 0 EGAARO 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CCC[NH+]1CCC(NC(=O)c2ccc(OCC)c(OCC)c2)CC1 ZINC000016580396 201975561 /nfs/dbraw/zinc/97/55/61/201975561.db2.gz IASHEOJFLPUVIJ-UHFFFAOYSA-N 1 0 334.460 3.088 50 0 EGAARO CN(Cc1ccon1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000019300836 202004600 /nfs/dbraw/zinc/00/46/00/202004600.db2.gz HUHINVUQKXLLCX-MRXNPFEDSA-N 1 0 331.435 3.200 50 0 EGAARO CCCCc1nc2cc(C(=O)NC[C@]3(C)CC[N@H+](C)C3)ccc2o1 ZINC000019838962 202021922 /nfs/dbraw/zinc/02/19/22/202021922.db2.gz WFQGFQGLJKBZPW-IBGZPJMESA-N 1 0 329.444 3.242 50 0 EGAARO Cc1cccc(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000019842062 202023680 /nfs/dbraw/zinc/02/36/80/202023680.db2.gz BLTVJIOUOBVHFJ-FUHWJXTLSA-N 1 0 330.472 3.097 50 0 EGAARO COCCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019893201 202024878 /nfs/dbraw/zinc/02/48/78/202024878.db2.gz JMJCOWBXAZHPOA-UHFFFAOYSA-N 1 0 338.451 3.011 50 0 EGAARO Cc1cc(Br)ccc1OCCCC[NH+]1CCOCC1 ZINC000020118497 202032915 /nfs/dbraw/zinc/03/29/15/202032915.db2.gz BSAMWKXGIJYSMI-UHFFFAOYSA-N 1 0 328.250 3.249 50 0 EGAARO C[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756485 202054661 /nfs/dbraw/zinc/05/46/61/202054661.db2.gz UKMMIHKBIFDMAW-WOJBJXKFSA-N 1 0 329.415 3.149 50 0 EGAARO COc1cc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)cc(Cl)c1O ZINC000020783292 202054938 /nfs/dbraw/zinc/05/49/38/202054938.db2.gz WKHYREYLAPPXGS-ZDUSSCGKSA-N 1 0 349.814 3.156 50 0 EGAARO C[NH+](C)CCCC(=O)N[C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000020563003 202049242 /nfs/dbraw/zinc/04/92/42/202049242.db2.gz XZUQSSVDEKPWCE-HNNXBMFYSA-N 1 0 346.519 3.246 50 0 EGAARO OCC[C@H]1CN(Cc2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000022920074 202096063 /nfs/dbraw/zinc/09/60/63/202096063.db2.gz YXURSDUDOIJURF-SFHVURJKSA-N 1 0 346.421 3.034 50 0 EGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000023373291 202103772 /nfs/dbraw/zinc/10/37/72/202103772.db2.gz YPWDMHLBWXWMFV-SFHVURJKSA-N 1 0 336.439 3.319 50 0 EGAARO O=C(NCCc1[nH+]cc2ccccn21)c1ccc(C(F)(F)F)cc1 ZINC000031773144 202209910 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C[N@H+](CC[C@H](O)c1ccccc1)Cc1cnc(N2CCCCC2)nc1 ZINC000215048244 241102834 /nfs/dbraw/zinc/10/28/34/241102834.db2.gz CJLYHJXRVGNQQH-IBGZPJMESA-N 1 0 340.471 3.022 50 0 EGAARO CCn1ncnc1CN1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000215079269 241106008 /nfs/dbraw/zinc/10/60/08/241106008.db2.gz ACIVQVLXTCMBNO-GOSISDBHSA-N 1 0 327.476 3.087 50 0 EGAARO Cc1nc(CN2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cs1 ZINC000215130704 241106916 /nfs/dbraw/zinc/10/69/16/241106916.db2.gz PLPIRDIWNLTFOG-UHFFFAOYSA-N 1 0 326.469 3.251 50 0 EGAARO O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000215149501 241109205 /nfs/dbraw/zinc/10/92/05/241109205.db2.gz AKAYQQOTUKTWIG-OAHLLOKOSA-N 1 0 326.362 3.406 50 0 EGAARO COc1ccc(CN(C)[C@@H](C)c2ccncn2)cc1C[NH+]1CCCC1 ZINC000215194986 241111021 /nfs/dbraw/zinc/11/10/21/241111021.db2.gz INRDHTNWUISHHD-INIZCTEOSA-N 1 0 340.471 3.274 50 0 EGAARO COc1cccc(C2(CC[NH3+])CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000205360736 241042920 /nfs/dbraw/zinc/04/29/20/241042920.db2.gz 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CN(C)c1ncc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)s1 ZINC000072126577 203165237 /nfs/dbraw/zinc/16/52/37/203165237.db2.gz MAZTVHULAVGJLU-UHFFFAOYSA-N 1 0 348.491 3.056 50 0 EGAARO COc1ccc([C@@H]2C[N@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072148995 203171057 /nfs/dbraw/zinc/17/10/57/203171057.db2.gz JFPIKNZWSRABAN-BHDDXSALSA-N 1 0 349.478 3.152 50 0 EGAARO CCOCC1(CNC(=O)c2cccc(CC3CC[NH2+]CC3)c2)CCC1 ZINC000072166781 203179186 /nfs/dbraw/zinc/17/91/86/203179186.db2.gz MSDWNXGPMGXPCE-UHFFFAOYSA-N 1 0 344.499 3.165 50 0 EGAARO COCCc1noc([C@@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)n1 ZINC000072167295 203179558 /nfs/dbraw/zinc/17/95/58/203179558.db2.gz CJIKFPJKBYSWPB-OAHLLOKOSA-N 1 0 347.484 3.360 50 0 EGAARO CCn1ncc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1C ZINC000072423756 203220462 /nfs/dbraw/zinc/22/04/62/203220462.db2.gz CNLQWSTZWJHGHF-UHFFFAOYSA-N 1 0 342.531 3.298 50 0 EGAARO Cc1cc2nc(C(C)C)cc(N(C)C[C@@H]3CC[N@@H+](C(C)C)C3)n2n1 ZINC000072436468 203224164 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O=C([C@H]1[C@@H]2C[N@H+](C3CCCC3)C[C@@H]21)N1CCc2c3ccccc3[nH]c2C1 ZINC000102839788 204051799 /nfs/dbraw/zinc/05/17/99/204051799.db2.gz RIADSSBNGTZUPL-WGMWDUQUSA-N 1 0 349.478 3.173 50 0 EGAARO CCOC(=O)N1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000000216071 206210153 /nfs/dbraw/zinc/21/01/53/206210153.db2.gz UKIYBMKBFJOYPI-UHFFFAOYSA-N 1 0 330.350 3.416 50 0 EGAARO Cc1ccc(CNC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)cc1 ZINC000426541330 257963934 /nfs/dbraw/zinc/96/39/34/257963934.db2.gz LGAMGBLROCNMDM-UHFFFAOYSA-N 1 0 338.455 3.120 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cccc4c(C)c(C)[nH]c43)[C@H]1C[C@@H](O)CC2 ZINC000299780111 258089072 /nfs/dbraw/zinc/08/90/72/258089072.db2.gz JVWLCLNKKNRWCT-XKGZKEIXSA-N 1 0 328.456 3.289 50 0 EGAARO O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299781990 258090665 /nfs/dbraw/zinc/09/06/65/258090665.db2.gz GKYUBALNGVILTN-WMLDXEAASA-N 1 0 348.406 3.320 50 0 EGAARO O=C(CCCC(=O)c1ccccc1)NC1(C[NH+]2CCCCC2)CC1 ZINC000299782960 258091231 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CC1(C)C[C@@H](C[NH+]2CCC3(CCC(=O)N(C4CCC4)C3)CC2)CCO1 ZINC000091587072 278360150 /nfs/dbraw/zinc/36/01/50/278360150.db2.gz IEDWTYSJZKNQFB-KRWDZBQOSA-N 1 0 348.531 3.449 50 0 EGAARO Cc1c(C(=O)N2CCOC23CC[NH+](C)CC3)oc2cc(C)cc(C)c12 ZINC000013688311 280208280 /nfs/dbraw/zinc/20/82/80/280208280.db2.gz FGYVDALIDXPWFK-UHFFFAOYSA-N 1 0 342.439 3.252 50 0 EGAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000239412359 455261885 /nfs/dbraw/zinc/26/18/85/455261885.db2.gz SPBUKKYCEGEMTD-CZUORRHYSA-N 1 0 346.381 3.035 50 0 EGAARO COc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000240971659 455265698 /nfs/dbraw/zinc/26/56/98/455265698.db2.gz UARQENFRFNAXFS-KRWDZBQOSA-N 1 0 325.412 3.256 50 0 EGAARO Cc1cc(C)nc(C[N@H+](C)CCC(=O)Nc2ccc(F)cc2F)c1 ZINC000244700919 455276052 /nfs/dbraw/zinc/27/60/52/455276052.db2.gz JWFOGSHIAJIPSR-UHFFFAOYSA-N 1 0 333.382 3.437 50 0 EGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC000000240812 452543622 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C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccncc1)CC2 ZINC000095530222 454229293 /nfs/dbraw/zinc/22/92/93/454229293.db2.gz FKDQPDLRTDTAIH-IBGZPJMESA-N 1 0 335.451 3.176 50 0 EGAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2ccc[nH]2)CC1 ZINC000095530375 454229524 /nfs/dbraw/zinc/22/95/24/454229524.db2.gz VNJLFDBSEQLZJM-UHFFFAOYSA-N 1 0 325.456 3.041 50 0 EGAARO CN(C)N1c2ccccc2[C@@](CCC[NH+](C)C)(c2ccccc2)C1=O ZINC000096027307 454264568 /nfs/dbraw/zinc/26/45/68/454264568.db2.gz LEQMAOUZECPQSM-OAQYLSRUSA-N 1 0 337.467 3.138 50 0 EGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCSCC4)[C@H]3C=C12 ZINC000061992798 454363927 /nfs/dbraw/zinc/36/39/27/454363927.db2.gz UREJTNAIOFLZPI-DMXPTSQMSA-N 1 0 335.513 3.349 50 0 biogenic EGAARO CC(C)Oc1cccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)c1 ZINC000097099155 454406189 /nfs/dbraw/zinc/40/61/89/454406189.db2.gz SFCRIYAIXUBTMG-UHFFFAOYSA-N 1 0 325.456 3.283 50 0 EGAARO CCCCn1ccnc1C1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC000091321799 454427129 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1334625552 /nfs/dbraw/zinc/62/55/52/1334625552.db2.gz FRYLIDXJYMTWKO-UHFFFAOYSA-N 1 0 340.402 3.166 50 0 EGAARO CCc1ccccc1C(=O)NCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000952972126 1334627425 /nfs/dbraw/zinc/62/74/25/1334627425.db2.gz DAMQAZWQLBKJNK-GOSISDBHSA-N 1 0 344.499 3.117 50 0 EGAARO CCCn1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c(C)n1 ZINC000952977540 1334628312 /nfs/dbraw/zinc/62/83/12/1334628312.db2.gz VHXCGZCOZUEJRL-UHFFFAOYSA-N 1 0 326.444 3.450 50 0 EGAARO Clc1cccc(N2CC[NH+](C3CSCCSC3)CC2)c1 ZINC000952979661 1334629310 /nfs/dbraw/zinc/62/93/10/1334629310.db2.gz OVYPGJRSAVDWMG-UHFFFAOYSA-N 1 0 328.934 3.311 50 0 EGAARO Cc1ccc(NC2(C(=O)NC[C@@H]3CC[N@@H+](C)C3)CCCCC2)cc1 ZINC000952988441 1334631245 /nfs/dbraw/zinc/63/12/45/1334631245.db2.gz QIMFLABOOMKEGF-KRWDZBQOSA-N 1 0 329.488 3.178 50 0 EGAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000952992150 1334632301 /nfs/dbraw/zinc/63/23/01/1334632301.db2.gz XTBBPCQMTSWUTA-OAHLLOKOSA-N 1 0 331.485 3.220 50 0 EGAARO Cc1c[nH]c(C[NH+]2CCC3(CC2)OCCc2c4ccccc4[nH]c23)n1 ZINC001704297823 1416433149 /nfs/dbraw/zinc/43/31/49/1416433149.db2.gz XOTLANRLMBPLQC-UHFFFAOYSA-N 1 0 336.439 3.263 50 0 EGAARO COc1cc2c(cc1OC)C1(CC[NH+](Cc3ccco3)CC1)OCC2 ZINC001704345262 1416450261 /nfs/dbraw/zinc/45/02/61/1416450261.db2.gz VHXFWRZQAPRCKZ-UHFFFAOYSA-N 1 0 343.423 3.361 50 0 EGAARO O=C(C[N@@H+]1CCCC[C@H]1CCc1ccccn1)NCc1cccs1 ZINC001704348448 1416451862 /nfs/dbraw/zinc/45/18/62/1416451862.db2.gz NIBGTLTWBYWFSN-KRWDZBQOSA-N 1 0 343.496 3.247 50 0 EGAARO CCC[NH+]1CCC(CCNc2nnc([C@H](N)c3ccccc3)o2)CC1 ZINC001772712960 1441417235 /nfs/dbraw/zinc/41/72/35/1441417235.db2.gz WTXKNYHMVUXOKJ-QGZVFWFLSA-N 1 0 343.475 3.042 50 0 EGAARO CCSC[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001772812527 1441417549 /nfs/dbraw/zinc/41/75/49/1441417549.db2.gz LDWJEVVJQZKYJL-OAHLLOKOSA-N 1 0 345.512 3.457 50 0 EGAARO Cc1ccc(C)c(N2CC[NH+](C[C@@H]3CCC(=O)N(C(C)C)C3)CC2)c1 ZINC001772810945 1441417603 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OCC1CC[NH+]([C@@H]2CCCN(C/C(Cl)=C/c3ccccc3)C2)CC1 ZINC000019741723 202018210 /nfs/dbraw/zinc/01/82/10/202018210.db2.gz PFKPURUEZUMMRR-QRRJMBGHSA-N 1 0 348.918 3.435 50 0 EGAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102744 202031360 /nfs/dbraw/zinc/03/13/60/202031360.db2.gz ZSVHVUZISQTBLP-UHFFFAOYSA-N 1 0 343.858 3.263 50 0 EGAARO Cc1cc(Br)cc(Cl)c1OCCC[NH2+]CCN(C)C ZINC000020418745 202042219 /nfs/dbraw/zinc/04/22/19/202042219.db2.gz JWCWJHKGUPSIAZ-UHFFFAOYSA-N 1 0 349.700 3.331 50 0 EGAARO CCOc1ccc(Br)cc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020476881 202044207 /nfs/dbraw/zinc/04/42/07/202044207.db2.gz KJVBFJBXGYSDFK-OAHLLOKOSA-N 1 0 339.277 3.032 50 0 EGAARO CCn1ccnc1CN(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020514858 202046567 /nfs/dbraw/zinc/04/65/67/202046567.db2.gz JHVVAEVOXQPRND-IBGZPJMESA-N 1 0 326.488 3.042 50 0 EGAARO CC(C)CC[N@@H+]1CCN(Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020783330 202055032 /nfs/dbraw/zinc/05/50/32/202055032.db2.gz IMTXLNYHFYGLEU-FQEVSTJZSA-N 1 0 341.499 3.150 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000020549629 202048891 /nfs/dbraw/zinc/04/88/91/202048891.db2.gz PASQWMJYPCBVOY-LBPRGKRZSA-N 1 0 342.842 3.235 50 0 EGAARO C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@@H](C(=O)NC(C)C)N(C(C)C)C1 ZINC000020996831 202060900 /nfs/dbraw/zinc/06/09/00/202060900.db2.gz YGGCDYKEQQWRRN-VZLDTWGNSA-N 1 0 343.515 3.055 50 0 EGAARO C[N@@H+]1CCC[C@H](Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)C1 ZINC000023399771 202103449 /nfs/dbraw/zinc/10/34/49/202103449.db2.gz MIQSZWYRSULSQM-INIZCTEOSA-N 1 0 333.439 3.349 50 0 EGAARO Fc1ccc(-n2cc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000023374427 202103558 /nfs/dbraw/zinc/10/35/58/202103558.db2.gz AOXJRQLPXUQWLT-LJQANCHMSA-N 1 0 328.435 3.072 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)[NH+](C)C)cc1 ZINC000028290560 202169491 /nfs/dbraw/zinc/16/94/91/202169491.db2.gz OPGKPXWCGDGLMR-LJQANCHMSA-N 1 0 340.467 3.410 50 0 EGAARO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000072280493 202360511 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Cc1nc(CC2CC[NH+](Cc3nc4ccccc4nc3C)CC2)no1 ZINC000215795409 241147250 /nfs/dbraw/zinc/14/72/50/241147250.db2.gz VAMGVHQZMBHTJP-UHFFFAOYSA-N 1 0 337.427 3.084 50 0 EGAARO Cc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000218986453 241357571 /nfs/dbraw/zinc/35/75/71/241357571.db2.gz QJNYVHUOQRLVPY-MRXNPFEDSA-N 1 0 326.362 3.230 50 0 EGAARO COCc1nc(NCc2ccc(SC)cc2)cc(C2CC([NH3+])C2)n1 ZINC000219212103 241370003 /nfs/dbraw/zinc/37/00/03/241370003.db2.gz NWPIJFYWLSSJFQ-UHFFFAOYSA-N 1 0 344.484 3.162 50 0 EGAARO CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](C1CCc3ccccc3CC1)C2 ZINC000219615401 241399912 /nfs/dbraw/zinc/39/99/12/241399912.db2.gz TZADMXGDADWBEK-OAQYLSRUSA-N 1 0 339.483 3.480 50 0 EGAARO COc1ccc([C@@]2(O)C[N+](c3ccccc3C)=C3CCCCN32)cc1 ZINC000002966430 201552792 /nfs/dbraw/zinc/55/27/92/201552792.db2.gz CSEAZMUIJYTKQV-NRFANRHFSA-N 1 0 337.443 3.264 50 0 EGAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000244652087 243050328 /nfs/dbraw/zinc/05/03/28/243050328.db2.gz GZQXLJRIIVXLRV-FQEVSTJZSA-N 1 0 325.456 3.482 50 0 EGAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1=O ZINC000244690852 243057751 /nfs/dbraw/zinc/05/77/51/243057751.db2.gz IYBJXPRTYJURNE-ZDUSSCGKSA-N 1 0 339.395 3.317 50 0 EGAARO Cc1ccc(C(=O)NCC[C@H]2C[N@@H+](C3CCCC3)CCO2)c(C)c1 ZINC000067674111 202924337 /nfs/dbraw/zinc/92/43/37/202924337.db2.gz ZSNRTWWCFUBTRS-SFHVURJKSA-N 1 0 330.472 3.067 50 0 EGAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000071575333 203099911 /nfs/dbraw/zinc/09/99/11/203099911.db2.gz XUJSPRTYLRBNRA-OAHLLOKOSA-N 1 0 329.419 3.202 50 0 EGAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@]3(C2)c2ccccc2NC3=O)c1C ZINC000072125653 203164818 /nfs/dbraw/zinc/16/48/18/203164818.db2.gz ZWCVZXGTIFABJQ-HXUWFJFHSA-N 1 0 338.455 3.006 50 0 EGAARO OC[C@]1(O)CCC[N@H+](Cc2sc3ccccc3c2Cl)CC1 ZINC000072137101 203168665 /nfs/dbraw/zinc/16/86/65/203168665.db2.gz JUGVZOCFBIMIGH-INIZCTEOSA-N 1 0 325.861 3.264 50 0 EGAARO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000071930756 203152828 /nfs/dbraw/zinc/15/28/28/203152828.db2.gz IKCAAGIWQZWREJ-UHFFFAOYSA-N 1 0 327.403 3.106 50 0 EGAARO c1csc(C[N@@H+]2CCCN(Cc3ccc4nsnc4c3)CC2)c1 ZINC000072146889 203171083 /nfs/dbraw/zinc/17/10/83/203171083.db2.gz ZRBALQHMNHKPJF-UHFFFAOYSA-N 1 0 344.509 3.461 50 0 EGAARO Cc1nc(CN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)sc1C ZINC000072162595 203177443 /nfs/dbraw/zinc/17/74/43/203177443.db2.gz XHHJNGOPIZDAKY-GOSISDBHSA-N 1 0 342.512 3.251 50 0 EGAARO O=C(CC[N@@H+]1C[C@H]2[C@@H](C1)C1CCC2CC1)NCc1ccccc1F ZINC000072171728 203181543 /nfs/dbraw/zinc/18/15/43/203181543.db2.gz BFKBSWFFQQONRP-SAJCDORXSA-N 1 0 330.447 3.200 50 0 EGAARO Cc1cccnc1CNc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 ZINC000072435491 203224742 /nfs/dbraw/zinc/22/47/42/203224742.db2.gz ZYDBIFWOVCXMRH-UHFFFAOYSA-N 1 0 345.450 3.147 50 0 EGAARO Fc1ccccc1C[N@@H+]1CCC[C@]2(CCN(c3cnccn3)C2)C1 ZINC000072463485 203229146 /nfs/dbraw/zinc/22/91/46/203229146.db2.gz PKROZYCEDVFXDL-IBGZPJMESA-N 1 0 326.419 3.108 50 0 EGAARO C[C@@H](C(=O)N(C)Cc1ccc(-n2cccn2)cc1)[NH+]1CCCCCC1 ZINC000072422223 203219675 /nfs/dbraw/zinc/21/96/75/203219675.db2.gz AWEBJEDTMCCTDA-KRWDZBQOSA-N 1 0 340.471 3.095 50 0 EGAARO CCc1n[nH]c2c1C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072424424 203220884 /nfs/dbraw/zinc/22/08/84/203220884.db2.gz JCLSMVKULDZHNC-UHFFFAOYSA-N 1 0 327.472 3.234 50 0 EGAARO O=C(c1cocn1)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072430314 203223398 /nfs/dbraw/zinc/22/33/98/203223398.db2.gz PJXTUDPPFWGIKO-HXUWFJFHSA-N 1 0 339.439 3.193 50 0 EGAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)CC1 ZINC000077287015 203376738 /nfs/dbraw/zinc/37/67/38/203376738.db2.gz KAOMLQGSZXMOHM-AWEZNQCLSA-N 1 0 331.847 3.445 50 0 EGAARO CCn1c(CN(C)C)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000077355907 203382553 /nfs/dbraw/zinc/38/25/53/203382553.db2.gz MRXMMWALSXWTPU-UHFFFAOYSA-N 1 0 333.524 3.119 50 0 EGAARO C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@H]([NH3+])C[C@]12C ZINC000257355778 244583608 /nfs/dbraw/zinc/58/36/08/244583608.db2.gz CPKSZCHVHHSWHU-XIJMDMOPSA-N 1 0 335.532 3.324 50 0 EGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ncccc2O)cc1 ZINC000077378612 203384361 /nfs/dbraw/zinc/38/43/61/203384361.db2.gz YOEHOFQNIGAAEZ-KRWDZBQOSA-N 1 0 339.439 3.216 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077388919 203384869 /nfs/dbraw/zinc/38/48/69/203384869.db2.gz KROYMSRSGPIUFK-HXUWFJFHSA-N 1 0 328.456 3.062 50 0 EGAARO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000077419882 203386901 /nfs/dbraw/zinc/38/69/01/203386901.db2.gz MVAKLXDBSXWMHZ-HNNXBMFYSA-N 1 0 339.443 3.391 50 0 EGAARO COCCCN1C[C@@]2(CCC[N@H+](Cc3ccccc3C)C2)CCC1=O ZINC000077536979 203393506 /nfs/dbraw/zinc/39/35/06/203393506.db2.gz KTJXLJHVNJZXEA-NRFANRHFSA-N 1 0 344.499 3.236 50 0 EGAARO CCCC[NH+]1CCC(Cn2cc([C@H]3CCOC(C)(C)C3)nn2)CC1 ZINC000091894334 203657372 /nfs/dbraw/zinc/65/73/72/203657372.db2.gz ONZHZESKDNUDTE-KRWDZBQOSA-N 1 0 334.508 3.463 50 0 EGAARO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-c2cc[nH]n2)cc1)c1ccccc1 ZINC000097568995 203951238 /nfs/dbraw/zinc/95/12/38/203951238.db2.gz IFHZLJVDNYDMHM-LJQANCHMSA-N 1 0 348.450 3.500 50 0 EGAARO Cc1c(Cl)cc(C(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)cc1Cl ZINC000101930801 204027637 /nfs/dbraw/zinc/02/76/37/204027637.db2.gz SZQFFIFPNNEUQI-XYYAHUGASA-N 1 0 327.255 3.181 50 0 EGAARO C[C@H](CCC(=O)N(C)Cc1ccc2ncccc2c1)[NH+]1CCCC1 ZINC000426606728 257961307 /nfs/dbraw/zinc/96/13/07/257961307.db2.gz IYOVESQVUYIWBM-MRXNPFEDSA-N 1 0 325.456 3.458 50 0 EGAARO CC[NH+]1CCC(CCNC(=O)N(Cc2ccc(O)cc2)C2CC2)CC1 ZINC000426548518 257963355 /nfs/dbraw/zinc/96/33/55/257963355.db2.gz MTLACUSJVXZBPU-UHFFFAOYSA-N 1 0 345.487 3.188 50 0 EGAARO C[C@@H](c1ccccc1)N(C)C(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000426378254 257970665 /nfs/dbraw/zinc/97/06/65/257970665.db2.gz VDLZYNBOJOCJNC-AWEZNQCLSA-N 1 0 330.403 3.387 50 0 EGAARO CCOc1cccc(OCC[N@@H+]2CC[C@@](O)(c3ccccc3)C2)c1 ZINC000299779456 258088934 /nfs/dbraw/zinc/08/89/34/258088934.db2.gz OCWVPZKOYASCOW-FQEVSTJZSA-N 1 0 327.424 3.058 50 0 EGAARO Cc1ncsc1CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000299785792 258092950 /nfs/dbraw/zinc/09/29/50/258092950.db2.gz LOURKZVDHSOFQN-KRWDZBQOSA-N 1 0 332.469 3.342 50 0 EGAARO Cc1ccc(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)c2cccnc12 ZINC000299794132 258099401 /nfs/dbraw/zinc/09/94/01/258099401.db2.gz JHVYDFSGLDZBNU-MRXNPFEDSA-N 1 0 325.456 3.424 50 0 EGAARO [NH3+]CCOc1cccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000299800318 258103852 /nfs/dbraw/zinc/10/38/52/258103852.db2.gz VWMQMZZTUWLZOH-VQTJNVASSA-N 1 0 338.451 3.480 50 0 EGAARO O=C(CCn1cccc1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000299802024 258104936 /nfs/dbraw/zinc/10/49/36/258104936.db2.gz RDPJSFAZYMVFCL-LJQANCHMSA-N 1 0 343.446 3.361 50 0 EGAARO CO[C@]12CC[N@H+](Cc3nccn3C3CC3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299757977 258076024 /nfs/dbraw/zinc/07/60/24/258076024.db2.gz JEIDMXBCLMCFRU-WSTZPKSXSA-N 1 0 345.487 3.157 50 0 EGAARO CCN(CC)CC[N@H+](C)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000299758079 258076317 /nfs/dbraw/zinc/07/63/17/258076317.db2.gz AULASYKKPILOQD-LJQANCHMSA-N 1 0 337.552 3.221 50 0 EGAARO Cc1ccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccn2)cc1F ZINC000299765360 258080191 /nfs/dbraw/zinc/08/01/91/258080191.db2.gz FYYUWMWDETZHML-SFHVURJKSA-N 1 0 341.430 3.200 50 0 EGAARO O=C1N(Cc2ccc(Cl)s2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082107204 132818413 /nfs/dbraw/zinc/81/84/13/132818413.db2.gz ZMEKVIJCZWLYMK-UHFFFAOYSA-N 1 0 347.871 3.482 50 0 EGAARO O=C1C[C@H]([N@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000100237953 275020665 /nfs/dbraw/zinc/02/06/65/275020665.db2.gz RBRRWYQEVKKWPO-ZENOOKHLSA-N 1 0 332.831 3.094 50 0 EGAARO OC1(c2cccnc2)CC[NH+](C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095502173 275045162 /nfs/dbraw/zinc/04/51/62/275045162.db2.gz XXDGOXJTKYJDAB-QGZVFWFLSA-N 1 0 338.451 3.006 50 0 EGAARO Ic1ccc(-c2csc3[n+]2CCS3)cc1 ZINC000002743147 279474658 /nfs/dbraw/zinc/47/46/58/279474658.db2.gz AKRFBBYUCKNYOT-UHFFFAOYSA-N 1 0 346.238 3.413 50 0 EGAARO C[NH+](C)[C@H]1CCN(Cc2c(F)ccc(Cl)c2F)C[C@H]1CCCO ZINC000091859207 454483271 /nfs/dbraw/zinc/48/32/71/454483271.db2.gz DBYPTTMURKMRJY-WBMJQRKESA-N 1 0 346.849 3.143 50 0 EGAARO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000000239861 452543779 /nfs/dbraw/zinc/54/37/79/452543779.db2.gz YLTGSPQHHXLLCQ-WBVHZDCISA-N 1 0 346.471 3.040 50 0 EGAARO COc1cccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)c1OC ZINC000000299578 452556427 /nfs/dbraw/zinc/55/64/27/452556427.db2.gz PIPXQWGXZNXEHL-UHFFFAOYSA-N 1 0 348.487 3.078 50 0 EGAARO Fc1ccc([C@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000527385 452614341 /nfs/dbraw/zinc/61/43/41/452614341.db2.gz AHOUBRCZNHFOSL-WMLDXEAASA-N 1 0 329.371 3.327 50 0 investigational EGAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000002284586 452692661 /nfs/dbraw/zinc/69/26/61/452692661.db2.gz CZYMHGWYHILMFZ-GJZGRUSLSA-N 1 0 325.456 3.031 50 0 EGAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1cccs1 ZINC000002861419 452730251 /nfs/dbraw/zinc/73/02/51/452730251.db2.gz HUCRWHWGEZRVRD-UHFFFAOYSA-N 1 0 327.833 3.071 50 0 EGAARO COc1ccccc1/C=C/C(=O)OCC[N@H+](C)Cc1ccccc1 ZINC000002895473 452734200 /nfs/dbraw/zinc/73/42/00/452734200.db2.gz SSHBMYVLPKZBDT-OUKQBFOZSA-N 1 0 325.408 3.384 50 0 EGAARO Cc1ccc(OCCOCC[NH+]2CCCC2)c(Br)c1 ZINC000003461974 452769292 /nfs/dbraw/zinc/76/92/92/452769292.db2.gz NUOPRLJTBBSDQG-UHFFFAOYSA-N 1 0 328.250 3.249 50 0 EGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000004279087 452797863 /nfs/dbraw/zinc/79/78/63/452797863.db2.gz BEXFKBNLQVOIOG-INMHGKMJSA-N 1 0 341.879 3.074 50 0 EGAARO COc1cccc(OC)c1OCCOCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004472846 452805270 /nfs/dbraw/zinc/80/52/70/452805270.db2.gz QFJHXVLSICWSIO-HOTGVXAUSA-N 1 0 337.460 3.077 50 0 EGAARO Cc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)s1 ZINC000004993790 452829838 /nfs/dbraw/zinc/82/98/38/452829838.db2.gz HWXUKIICSIWCHS-UHFFFAOYSA-N 1 0 345.497 3.304 50 0 EGAARO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H]4CCCC[C@H]43)C2=O)cc1 ZINC000005600319 452886824 /nfs/dbraw/zinc/88/68/24/452886824.db2.gz NZUUPLWSKJXMDC-NXHRZFHOSA-N 1 0 326.440 3.282 50 0 EGAARO CCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCCCC1)n2C ZINC000005824778 452905868 /nfs/dbraw/zinc/90/58/68/452905868.db2.gz WHYQJSWYEMAYQA-UHFFFAOYSA-N 1 0 328.460 3.340 50 0 EGAARO COc1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000006638403 452963356 /nfs/dbraw/zinc/96/33/56/452963356.db2.gz MOYBXWQGYPIVPR-QGZVFWFLSA-N 1 0 328.412 3.245 50 0 EGAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000006729258 452977511 /nfs/dbraw/zinc/97/75/11/452977511.db2.gz BQCOZCVEXIEDMR-UHFFFAOYSA-N 1 0 326.238 3.057 50 0 EGAARO CCC[NH+]1CCC(O)(Cc2cc(-c3cccc(OC)c3)no2)CC1 ZINC000012004647 453340084 /nfs/dbraw/zinc/34/00/84/453340084.db2.gz YFHPWDBPYDQFDC-UHFFFAOYSA-N 1 0 330.428 3.130 50 0 EGAARO C[C@@H](CC[N@H+]1CCC(=O)N(Cc2ccccn2)CC1)c1ccccc1 ZINC000012079209 453345798 /nfs/dbraw/zinc/34/57/98/453345798.db2.gz GATYQQBRTAZIJD-SFHVURJKSA-N 1 0 337.467 3.310 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000012382501 453358200 /nfs/dbraw/zinc/35/82/00/453358200.db2.gz FHFYHYWKQLIMMJ-UHFFFAOYSA-N 1 0 332.488 3.352 50 0 EGAARO CCOC(=O)c1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)on1 ZINC000012410841 453360859 /nfs/dbraw/zinc/36/08/59/453360859.db2.gz BJCUVWCOTVBMCB-UHFFFAOYSA-N 1 0 347.802 3.318 50 0 EGAARO O=C(CCc1ccncc1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012440147 453361343 /nfs/dbraw/zinc/36/13/43/453361343.db2.gz ZDHUEDOAPGGJEQ-LJQANCHMSA-N 1 0 329.488 3.175 50 0 EGAARO CCc1[nH]nc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1C ZINC000012439854 453363131 /nfs/dbraw/zinc/36/31/31/453363131.db2.gz ACZJBRWTUKQVFS-MRXNPFEDSA-N 1 0 332.492 3.055 50 0 EGAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]C2CCOCC2)c1 ZINC000012593943 453381486 /nfs/dbraw/zinc/38/14/86/453381486.db2.gz KSIONHRBSJBCKI-QGZVFWFLSA-N 1 0 333.382 3.297 50 0 EGAARO CC(C)C[NH+]1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000013322781 453458304 /nfs/dbraw/zinc/45/83/04/453458304.db2.gz OJNLLRHHNSIKMC-UHFFFAOYSA-N 1 0 340.265 3.255 50 0 EGAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccn2)N1Cc1cccc(Cl)c1 ZINC000014982373 453550710 /nfs/dbraw/zinc/55/07/10/453550710.db2.gz XDMMJIURDUXQTN-SFHVURJKSA-N 1 0 343.858 3.406 50 0 EGAARO COc1ccc([C@H](CNC(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000027747994 453820197 /nfs/dbraw/zinc/82/01/97/453820197.db2.gz IZAHPJOSIKKLDS-INIZCTEOSA-N 1 0 330.453 3.324 50 0 EGAARO Cc1c(C)n(C[C@H](O)C[NH2+]C[C@H]2CCCO2)c2c1cccc2Cl ZINC000028296743 453822965 /nfs/dbraw/zinc/82/29/65/453822965.db2.gz KWEHSTSZMZGFJG-HUUCEWRRSA-N 1 0 336.863 3.041 50 0 EGAARO CCCc1ncc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)cn1 ZINC000082109537 453924482 /nfs/dbraw/zinc/92/44/82/453924482.db2.gz FNRRIYPJXXUFBU-HXUWFJFHSA-N 1 0 344.503 3.042 50 0 EGAARO COCCN1C[C@]2(CCC[N@H+](Cc3ccc(C)cc3C)C2)CCC1=O ZINC000082108035 453924812 /nfs/dbraw/zinc/92/48/12/453924812.db2.gz CXNPUQOSTLIOSB-OAQYLSRUSA-N 1 0 344.499 3.154 50 0 EGAARO CCC[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)C[C@H]1[NH+](C)C ZINC000082135049 453926268 /nfs/dbraw/zinc/92/62/68/453926268.db2.gz WQIIKVHZHSZTJV-VQIMIIECSA-N 1 0 330.451 3.174 50 0 EGAARO CC(C)C[C@H]1C[N@@H+](C2CCN(Cc3cccnc3)CC2)CC[C@@]1(C)O ZINC000067603658 453947874 /nfs/dbraw/zinc/94/78/74/453947874.db2.gz VHJVFVBABVDOBT-PZJWPPBQSA-N 1 0 345.531 3.165 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cnc3ccccc3c2)CC1 ZINC000067676145 453955207 /nfs/dbraw/zinc/95/52/07/453955207.db2.gz FYNNZMQQKXEVAQ-UHFFFAOYSA-N 1 0 346.434 3.291 50 0 EGAARO COc1ccc(-c2nc(CN3CC[C@H]([NH3+])C3)c(C)o2)c2ccccc12 ZINC000067723986 453960138 /nfs/dbraw/zinc/96/01/38/453960138.db2.gz MUCOILYGHAHIKQ-AWEZNQCLSA-N 1 0 337.423 3.345 50 0 EGAARO COCc1cn(C2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)nn1 ZINC000055090643 453961595 /nfs/dbraw/zinc/96/15/95/453961595.db2.gz TWQYXPOXRIVQES-MRXNPFEDSA-N 1 0 328.460 3.255 50 0 EGAARO CCn1cc(C[N@H+](CC)Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000055107586 453963722 /nfs/dbraw/zinc/96/37/22/453963722.db2.gz KAORNDJMDNXXQD-UHFFFAOYSA-N 1 0 327.407 3.454 50 0 EGAARO CCc1ccc2nc(NCC[N@@H+]3CCC[C@H](CO)C3)cc(C)c2c1 ZINC000055119294 453963950 /nfs/dbraw/zinc/96/39/50/453963950.db2.gz KWNINALISLDGPH-KRWDZBQOSA-N 1 0 327.472 3.222 50 0 EGAARO CCc1ccc2nc(NCC[N@@H+]3CCC[C@@H](CO)C3)cc(C)c2c1 ZINC000055119295 453964937 /nfs/dbraw/zinc/96/49/37/453964937.db2.gz KWNINALISLDGPH-QGZVFWFLSA-N 1 0 327.472 3.222 50 0 EGAARO COc1cc(C)c(-c2nc(C[N@@H+]3CCC[C@@H](CO)C3)c(C)o2)cc1C ZINC000067833762 453971726 /nfs/dbraw/zinc/97/17/26/453971726.db2.gz UTHOUWDPZYVBSC-MRXNPFEDSA-N 1 0 344.455 3.480 50 0 EGAARO Cc1cc(C[NH+]2CCCC2)cc(C)c1Oc1ncccc1C(N)=O ZINC000067847199 453972396 /nfs/dbraw/zinc/97/23/96/453972396.db2.gz OSDWWPROEBDZOM-UHFFFAOYSA-N 1 0 325.412 3.185 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1ccco1)Cc1cccc(Cn2cccn2)c1 ZINC000055271632 453973554 /nfs/dbraw/zinc/97/35/54/453973554.db2.gz PBHMQQIZKNQOPD-LJQANCHMSA-N 1 0 339.439 3.298 50 0 EGAARO Cc1ccc2c(cc(C[N@@H+]3CC[C@H](CNC(=O)CC4CC4)C3)n2C)c1 ZINC000067893968 453978336 /nfs/dbraw/zinc/97/83/36/453978336.db2.gz PABNWWDTSQIWEU-QGZVFWFLSA-N 1 0 339.483 3.225 50 0 EGAARO CC[C@@H]1CN(Cc2cc3cc(C)ccc3[nH]c2=O)CC[N@@H+]1C(C)C ZINC000067919655 453980779 /nfs/dbraw/zinc/98/07/79/453980779.db2.gz TXKRXUBLQXOTMZ-GOSISDBHSA-N 1 0 327.472 3.141 50 0 EGAARO O=C(NCC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1cccc(O)c1 ZINC000067935088 453981937 /nfs/dbraw/zinc/98/19/37/453981937.db2.gz GUNCJZSDYUBCRN-OAHLLOKOSA-N 1 0 328.412 3.017 50 0 EGAARO CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](CNC(=O)C(F)F)C1 ZINC000067947093 453983283 /nfs/dbraw/zinc/98/32/83/453983283.db2.gz RSPRRCMJJMZGSE-LBPRGKRZSA-N 1 0 336.382 3.198 50 0 EGAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000067968058 453985015 /nfs/dbraw/zinc/98/50/15/453985015.db2.gz FBPQQVGUCWEJAV-SFHVURJKSA-N 1 0 335.455 3.498 50 0 EGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccccc2)n[nH]1 ZINC000085876039 454040977 /nfs/dbraw/zinc/04/09/77/454040977.db2.gz CBTDZZQHBUWVLX-QFBILLFUSA-N 1 0 338.455 3.071 50 0 biogenic EGAARO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000095365431 454196733 /nfs/dbraw/zinc/19/67/33/454196733.db2.gz SQXDIPBKXAOOSN-LJQANCHMSA-N 1 0 335.451 3.062 50 0 EGAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000095360129 454197195 /nfs/dbraw/zinc/19/71/95/454197195.db2.gz LERLZWRELYYHFY-WOJBJXKFSA-N 1 0 342.483 3.456 50 0 EGAARO Cc1nc(C)c(CNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)s1 ZINC000095357259 454197294 /nfs/dbraw/zinc/19/72/94/454197294.db2.gz QZRSDZRKWWFFAM-MRXNPFEDSA-N 1 0 329.469 3.157 50 0 EGAARO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2noc(C4CC4)n2)C3)cc1 ZINC000095358885 454197775 /nfs/dbraw/zinc/19/77/75/454197775.db2.gz RKSPGUYARLCEBE-FUHWJXTLSA-N 1 0 338.455 3.043 50 0 EGAARO COc1c(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c(C(C)C)nn1C ZINC000058402140 454197794 /nfs/dbraw/zinc/19/77/94/454197794.db2.gz HNFDKZXPPJGCAZ-CYBMUJFWSA-N 1 0 329.444 3.338 50 0 EGAARO Cc1cc(C)c2c(ncnc2NCC2([NH+]3CCCC3)CCCC2)n1 ZINC000095370420 454199354 /nfs/dbraw/zinc/19/93/54/454199354.db2.gz XWHPOZGYBQYSDG-UHFFFAOYSA-N 1 0 325.460 3.462 50 0 EGAARO CCc1nc(C)sc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095388203 454200109 /nfs/dbraw/zinc/20/01/09/454200109.db2.gz WZMWJAXMAFJIOZ-CQSZACIVSA-N 1 0 335.517 3.285 50 0 EGAARO O=C([C@H]1CCC[NH2+]1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095524059 454227516 /nfs/dbraw/zinc/22/75/16/454227516.db2.gz DCQGEXRHSWCESM-HXUWFJFHSA-N 1 0 334.463 3.347 50 0 EGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](CC=C(C)C)CC3)c1 ZINC000095525188 454227962 /nfs/dbraw/zinc/22/79/62/454227962.db2.gz QPJPWGNIXQKZEM-UHFFFAOYSA-N 1 0 342.483 3.476 50 0 EGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC000095528504 454229368 /nfs/dbraw/zinc/22/93/68/454229368.db2.gz GFIDUPJMXDWOMC-KRWDZBQOSA-N 1 0 346.519 3.121 50 0 EGAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1sc2cccc(F)c2c1Cl ZINC000091321907 454427470 /nfs/dbraw/zinc/42/74/70/454427470.db2.gz MYFHDRPPMZJJSE-YUMQZZPRSA-N 1 0 330.787 3.124 50 0 EGAARO Cc1ccn2cc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)nc2c1 ZINC000091469077 454438774 /nfs/dbraw/zinc/43/87/74/454438774.db2.gz KRZVTCXZVRKIFG-AZUAARDMSA-N 1 0 338.499 3.339 50 0 EGAARO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000097568837 454440274 /nfs/dbraw/zinc/44/02/74/454440274.db2.gz ZYKVSKVVIFAAPK-CQSZACIVSA-N 1 0 342.361 3.172 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)c(Cl)c1OC ZINC000097610009 454441888 /nfs/dbraw/zinc/44/18/88/454441888.db2.gz JQFZUKAPVXPIIH-AWEZNQCLSA-N 1 0 349.862 3.466 50 0 EGAARO COc1ccc(C[NH+]2CCC3(CCOCC3)CC2)c(OC)c1OC ZINC000097813881 454446452 /nfs/dbraw/zinc/44/64/52/454446452.db2.gz HOVZSGYJMUFHDX-UHFFFAOYSA-N 1 0 335.444 3.105 50 0 EGAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC000097805505 454446542 /nfs/dbraw/zinc/44/65/42/454446542.db2.gz FSSBZDHIHRVXCI-MJGOQNOKSA-N 1 0 332.447 3.358 50 0 EGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1[C@H]1COc2ccccc2O1 ZINC000065373826 454554633 /nfs/dbraw/zinc/55/46/33/454554633.db2.gz YXQPDIMSAGUDAX-QGZVFWFLSA-N 1 0 334.379 3.361 50 0 EGAARO CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1cccc(NCc2cccs2)c1 ZINC000065372745 454554798 /nfs/dbraw/zinc/55/47/98/454554798.db2.gz KLMOOVKJWNMTGW-OAHLLOKOSA-N 1 0 343.496 3.432 50 0 EGAARO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000065372710 454555477 /nfs/dbraw/zinc/55/54/77/454555477.db2.gz UJCOCFZYYNDPHL-GOSISDBHSA-N 1 0 347.478 3.031 50 0 EGAARO COc1ccccc1OCC[N@@H+]1CCCOc2c(cccc2OC)C1 ZINC000065375220 454556435 /nfs/dbraw/zinc/55/64/35/454556435.db2.gz QZBBISMXQMSDBI-UHFFFAOYSA-N 1 0 343.423 3.367 50 0 EGAARO Cc1cc(-n2nc(C(C)C)nc2Cc2cn3ccsc3n2)cc[nH+]1 ZINC000065403443 454560218 /nfs/dbraw/zinc/56/02/18/454560218.db2.gz ZMIIIHJLXPAJKS-UHFFFAOYSA-N 1 0 338.440 3.394 50 0 EGAARO O=C(CC[NH+]1CCC(c2cccc(O)c2)CC1)NCc1cccs1 ZINC000065404311 454560604 /nfs/dbraw/zinc/56/06/04/454560604.db2.gz IONPWDBSCBVAHG-UHFFFAOYSA-N 1 0 344.480 3.340 50 0 EGAARO Cc1ccccc1NC(=O)CC[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000065489656 454575870 /nfs/dbraw/zinc/57/58/70/454575870.db2.gz HWEWYFVSBVWFJU-QGZVFWFLSA-N 1 0 332.831 3.300 50 0 EGAARO CCc1csc(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000065507367 454579189 /nfs/dbraw/zinc/57/91/89/454579189.db2.gz GHYCUKBUEGAYCD-UHFFFAOYSA-N 1 0 329.469 3.100 50 0 EGAARO CC[C@H]([NH2+]CC(=O)Nc1ccccc1NC(C)=O)c1ccccc1 ZINC000065529374 454585068 /nfs/dbraw/zinc/58/50/68/454585068.db2.gz KPLPZOPOMOSHMU-INIZCTEOSA-N 1 0 325.412 3.324 50 0 EGAARO Cc1nn(CCO)c(C)c1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000093003659 454669194 /nfs/dbraw/zinc/66/91/94/454669194.db2.gz GSJDCAAOGHJVGC-LJQANCHMSA-N 1 0 327.472 3.262 50 0 EGAARO c1ccc(CO[C@@H]2COCC[C@H]2Nc2cc[nH+]c3ccccc23)nc1 ZINC000219843465 456036301 /nfs/dbraw/zinc/03/63/01/456036301.db2.gz BLZMBHCCGFUBFC-WOJBJXKFSA-N 1 0 335.407 3.416 50 0 EGAARO O=C(CCC(=O)c1ccccc1)NCC1([NH+]2CCCC2)CCCC1 ZINC000222307810 456046063 /nfs/dbraw/zinc/04/60/63/456046063.db2.gz NLWIRLUTYSPHLN-UHFFFAOYSA-N 1 0 328.456 3.174 50 0 EGAARO [NH3+][C@H]1C[C@H](c2cc(N3CCC4(CCc5ccccc54)CC3)ncn2)C1 ZINC000222583610 456048843 /nfs/dbraw/zinc/04/88/43/456048843.db2.gz WQZOEFDPPCSCCT-CALCHBBNSA-N 1 0 334.467 3.166 50 0 EGAARO CCOc1ncccc1-c1ccc2c(c1)OC[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000426427867 457827879 /nfs/dbraw/zinc/82/78/79/457827879.db2.gz AFMSDSVXIZVDMO-IEBWSBKVSA-N 1 0 340.423 3.038 50 0 EGAARO CO[C@]12CC[N@H+](Cc3ccoc3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426526740 457848904 /nfs/dbraw/zinc/84/89/04/457848904.db2.gz BBIWMUOLQHUYNL-ZIFCJYIRSA-N 1 0 328.412 3.266 50 0 EGAARO CCSCC[N@@H+]1CC[C@]2(OC)CC[C@@H](Oc3ccccn3)C[C@H]12 ZINC000426546086 457851983 /nfs/dbraw/zinc/85/19/83/457851983.db2.gz FUIDLUSOJOYVNN-SOLBZPMBSA-N 1 0 336.501 3.226 50 0 EGAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000426678150 457877748 /nfs/dbraw/zinc/87/77/48/457877748.db2.gz RBXSSSCNCUIXEC-CYBMUJFWSA-N 1 0 337.448 3.384 50 0 EGAARO CO[C@]12CC[N@H+](Cc3ccccn3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426716148 457883722 /nfs/dbraw/zinc/88/37/22/457883722.db2.gz QYDLCAIIFSBOQG-CMKODMSKSA-N 1 0 339.439 3.068 50 0 EGAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ccc2ncccc2c1 ZINC000534581027 459335559 /nfs/dbraw/zinc/33/55/59/459335559.db2.gz CNEJVOFPIJSQQT-INIZCTEOSA-N 1 0 340.471 3.251 50 0 EGAARO C[C@H](c1cccc(-c2ccc(NS(C)(=O)=O)nc2)c1)[NH+]1CCCC1 ZINC000534634727 459339124 /nfs/dbraw/zinc/33/91/24/459339124.db2.gz IOQYZHCXBMBRPR-CQSZACIVSA-N 1 0 345.468 3.277 50 0 EGAARO CCOC(=O)N1CC[C@H]([NH2+]CCCc2nc3ccccc3s2)C1 ZINC000534649911 459341821 /nfs/dbraw/zinc/34/18/21/459341821.db2.gz QBAAAEHAVCLSNG-ZDUSSCGKSA-N 1 0 333.457 3.049 50 0 EGAARO C[C@@H](NC(=O)N(C)Cc1ccccc1C[NH+]1CCCC1)C(F)(F)F ZINC000534671585 459344625 /nfs/dbraw/zinc/34/46/25/459344625.db2.gz LHJLSVORBNKKNU-CYBMUJFWSA-N 1 0 343.393 3.375 50 0 EGAARO CNC(=O)c1ccc(C[N@H+](C)CCCOc2cc(C)ccc2C)o1 ZINC000244742104 536420740 /nfs/dbraw/zinc/42/07/40/536420740.db2.gz OCABDQWCYCMZOA-UHFFFAOYSA-N 1 0 330.428 3.157 50 0 EGAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)c1cccc2c1CCC2=O ZINC000670468753 548220480 /nfs/dbraw/zinc/22/04/80/548220480.db2.gz PHCLMVHRMRQTRW-UHFFFAOYSA-N 1 0 340.467 3.344 50 0 EGAARO CC(=O)Nc1ccc2nc(C[N@H+](C)CCc3ccccn3)ccc2c1 ZINC000670463593 548220488 /nfs/dbraw/zinc/22/04/88/548220488.db2.gz BGUYTFOWBVMBEA-UHFFFAOYSA-N 1 0 334.423 3.263 50 0 EGAARO Cc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)cc1 ZINC000011788463 1291127992 /nfs/dbraw/zinc/12/79/92/1291127992.db2.gz QQZOGECONBENPL-IBGZPJMESA-N 1 0 344.499 3.281 50 0 EGAARO CCCC[NH2+][C@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014539053 1291141237 /nfs/dbraw/zinc/14/12/37/1291141237.db2.gz UVBNRTSWKZSCRG-INIZCTEOSA-N 1 0 346.519 3.022 50 0 EGAARO CC1CC[NH+]([C@@H]2CCC(=O)N(CCOc3ccc(F)cc3)CC2)CC1 ZINC000015067011 1291145512 /nfs/dbraw/zinc/14/55/12/1291145512.db2.gz NQQGRVSDTBADHD-GOSISDBHSA-N 1 0 348.462 3.318 50 0 EGAARO c1csc(C[NH+]2CCC(n3cc(-c4ccccn4)nn3)CC2)c1 ZINC000082039457 1292677318 /nfs/dbraw/zinc/67/73/18/1292677318.db2.gz AFVYNICFNIEWAJ-UHFFFAOYSA-N 1 0 325.441 3.239 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3n1C)C2 ZINC000091426046 1292835031 /nfs/dbraw/zinc/83/50/31/1292835031.db2.gz MFICAQBORQWAJB-RHSMWYFYSA-N 1 0 343.446 3.264 50 0 EGAARO CC[NH+](CC)C[C@@H]1C[C@@H](O)C(C)(C)C[C@H]1OC(=O)c1ccccc1 ZINC000247814625 1296401740 /nfs/dbraw/zinc/40/17/40/1296401740.db2.gz CBUCVGWOZZQBHS-RCCFBDPRSA-N 1 0 333.472 3.351 50 0 EGAARO CCOc1ccc(CC(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000504459863 1297958965 /nfs/dbraw/zinc/95/89/65/1297958965.db2.gz YVKNZDBOSHHBDD-MJGOQNOKSA-N 1 0 330.472 3.009 50 0 EGAARO COc1ccc2ccccc2c1CNC(=O)C[NH+]1CCCCCC1 ZINC000824764577 1320283838 /nfs/dbraw/zinc/28/38/38/1320283838.db2.gz IVKSNDMUCLCEFO-UHFFFAOYSA-N 1 0 326.440 3.341 50 0 EGAARO COc1cccc(N2CCC([NH2+][C@H](C)c3nncn3C(C)C)CC2)c1 ZINC000824782200 1320285107 /nfs/dbraw/zinc/28/51/07/1320285107.db2.gz QSIJBMAAGPVMNQ-OAHLLOKOSA-N 1 0 343.475 3.187 50 0 EGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC(=O)OC12CCCC2 ZINC000952866992 1334582739 /nfs/dbraw/zinc/58/27/39/1334582739.db2.gz IFFMAUWSDYEZRS-KRWDZBQOSA-N 1 0 342.439 3.097 50 0 EGAARO CN(C)C1(C[NH2+]Cc2cc(F)ccc2-n2cccn2)CCCCC1 ZINC000952978056 1334629110 /nfs/dbraw/zinc/62/91/10/1334629110.db2.gz KDNLYWXWGINZEG-UHFFFAOYSA-N 1 0 330.451 3.366 50 0 EGAARO Nc1ncc2c(n1)[C@@]1(CC2)CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC001704325335 1416444421 /nfs/dbraw/zinc/44/44/21/1416444421.db2.gz LVQUOMTZPYXYBB-HXUWFJFHSA-N 1 0 333.439 3.020 50 0 EGAARO COc1ccc(OC)c([C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)c1 ZINC001704348393 1416451595 /nfs/dbraw/zinc/45/15/95/1416451595.db2.gz MBDMUEXZQOLFFH-ZDUSSCGKSA-N 1 0 335.835 3.043 50 0 EGAARO O=C(C[NH+]1CCC2(C=Cc3ccccc32)CC1)NCc1cccs1 ZINC001704353278 1416453952 /nfs/dbraw/zinc/45/39/52/1416453952.db2.gz MBHBBMDRSKUTJR-UHFFFAOYSA-N 1 0 338.476 3.425 50 0 EGAARO CC(C)N1C[C@H](C[NH+]2CCC(OCc3ccccc3)CC2)CCC1=O ZINC001772818644 1441417721 /nfs/dbraw/zinc/41/77/21/1441417721.db2.gz IUANZQDMHYIEMM-IBGZPJMESA-N 1 0 344.499 3.315 50 0 EGAARO Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)cnc1C ZINC000097696202 219048646 /nfs/dbraw/zinc/04/86/46/219048646.db2.gz YFABMTBUOLDYIB-IBGZPJMESA-N 1 0 341.430 3.404 50 0 EGAARO CC[NH+]1CCC(C(=O)Nc2cccc(-c3nnc(C)s3)c2)CC1 ZINC000012704613 201861479 /nfs/dbraw/zinc/86/14/79/201861479.db2.gz VLTZTRZGDVXBKC-UHFFFAOYSA-N 1 0 330.457 3.184 50 0 EGAARO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)c1ccncc1Cl ZINC000067472731 215150424 /nfs/dbraw/zinc/15/04/24/215150424.db2.gz ZGDVOBVOHMQELQ-ZDUSSCGKSA-N 1 0 347.821 3.126 50 0 EGAARO O=C(NC[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1)c1cccc(O)c1 ZINC000067489519 215153517 /nfs/dbraw/zinc/15/35/17/215153517.db2.gz MDAZXBPNAMFNAI-MOTZXUDYSA-N 1 0 336.435 3.157 50 0 EGAARO COc1ccc(CN2CC[NH+](C3CCCCC3)CC2)c(OC)c1OC ZINC000019552805 202012105 /nfs/dbraw/zinc/01/21/05/202012105.db2.gz KNFMHSHXNYZVPB-UHFFFAOYSA-N 1 0 348.487 3.163 50 0 EGAARO COc1cc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc(OC)c1O ZINC000019789312 202020751 /nfs/dbraw/zinc/02/07/51/202020751.db2.gz NNQCYMFRGHHYQH-DOTOQJQBSA-N 1 0 348.487 3.106 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000020549627 202048434 /nfs/dbraw/zinc/04/84/34/202048434.db2.gz PASQWMJYPCBVOY-GFCCVEGCSA-N 1 0 342.842 3.235 50 0 EGAARO CC(C)(C)C[N@@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000020784084 202054748 /nfs/dbraw/zinc/05/47/48/202054748.db2.gz JTJKGUXXWOJSND-IBGZPJMESA-N 1 0 341.499 3.150 50 0 EGAARO COc1ccccc1C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000020782196 202055125 /nfs/dbraw/zinc/05/51/25/202055125.db2.gz ROMKKRBMYGQGSI-UHFFFAOYSA-N 1 0 334.423 3.012 50 0 EGAARO Cn1cc(-c2cccc(-c3ccn(CC[C@@H]4CCC[N@@H+]4C)n3)c2)cn1 ZINC000023619542 202105907 /nfs/dbraw/zinc/10/59/07/202105907.db2.gz VVUISSKUXKRDQG-IBGZPJMESA-N 1 0 335.455 3.435 50 0 EGAARO COC(=O)c1ccc(C[N@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000023280251 202101183 /nfs/dbraw/zinc/10/11/83/202101183.db2.gz GAJRHTNDBBCRHH-UHFFFAOYSA-N 1 0 343.423 3.165 50 0 EGAARO C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3ccccc3C(F)(F)F)n2)C1 ZINC000023428685 202104840 /nfs/dbraw/zinc/10/48/40/202104840.db2.gz UYHPOVCWRXGCMR-LLVKDONJSA-N 1 0 337.345 3.265 50 0 EGAARO Cc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)[NH+](C)C)cc1 ZINC000028289271 202168998 /nfs/dbraw/zinc/16/89/98/202168998.db2.gz IHYSQHDOZYHOLR-IBGZPJMESA-N 1 0 340.467 3.410 50 0 EGAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1C ZINC000032593856 202227646 /nfs/dbraw/zinc/22/76/46/202227646.db2.gz DUIQSFOZUOPZIV-SFHVURJKSA-N 1 0 344.430 3.240 50 0 EGAARO Cc1c2ccc(C)cc2oc1C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072433910 216228293 /nfs/dbraw/zinc/22/82/93/216228293.db2.gz UHSWKXLQIOZPSN-UHFFFAOYSA-N 1 0 349.434 3.329 50 0 EGAARO Cc1cc[nH+]c(NC[C@@H]2CCN([C@@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000097200803 201382798 /nfs/dbraw/zinc/38/27/98/201382798.db2.gz XLBYFXBYBWCJLY-KBPBESRZSA-N 1 0 327.432 3.145 50 0 EGAARO Cc1c2cc(C)ccc2oc1CN1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000214978344 241098693 /nfs/dbraw/zinc/09/86/93/241098693.db2.gz VXKDTYGSOBPXFE-ROUUACIJSA-N 1 0 328.456 3.081 50 0 EGAARO CSc1ncc(C[N@H+](C)C[C@H]2CCN(c3ccccc3)C2)cn1 ZINC000215219130 241115794 /nfs/dbraw/zinc/11/57/94/241115794.db2.gz APRYAWZNDRDPHI-OAHLLOKOSA-N 1 0 328.485 3.157 50 0 EGAARO Clc1cccc2ccc(C[N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)nc12 ZINC000216123914 241167841 /nfs/dbraw/zinc/16/78/41/241167841.db2.gz CEQUYFIMAGMXEJ-CYBMUJFWSA-N 1 0 327.819 3.386 50 0 EGAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000216248660 241178989 /nfs/dbraw/zinc/17/89/89/241178989.db2.gz YCLPQTPTNIAKLJ-HNNXBMFYSA-N 1 0 325.460 3.377 50 0 EGAARO COCCOC1CC[NH+](Cc2cnn(-c3cccc(Cl)c3)c2)CC1 ZINC000215631100 241136436 /nfs/dbraw/zinc/13/64/36/241136436.db2.gz BIVCDNPVYXEMER-UHFFFAOYSA-N 1 0 349.862 3.153 50 0 EGAARO C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227156146 242123586 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Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cc1O ZINC000071751151 203108609 /nfs/dbraw/zinc/10/86/09/203108609.db2.gz JWTRGDFZICTUCM-SFHVURJKSA-N 1 0 330.472 3.283 50 0 EGAARO CCN(C)c1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)ncn1 ZINC000071768097 203111385 /nfs/dbraw/zinc/11/13/85/203111385.db2.gz DUXMEPSMXOLZDT-KRWDZBQOSA-N 1 0 340.471 3.380 50 0 EGAARO O=C(NC1CC1)c1ccccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072125652 203165159 /nfs/dbraw/zinc/16/51/59/203165159.db2.gz CDMVOUABEYOPIL-MAUKXSAKSA-N 1 0 328.456 3.222 50 0 EGAARO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c2cccc(C)c2n1 ZINC000072128823 203165381 /nfs/dbraw/zinc/16/53/81/203165381.db2.gz HWHAQIYZTCWYBB-INIZCTEOSA-N 1 0 325.456 3.408 50 0 EGAARO C[NH+]1CCC(CCC(=O)N2CCC[C@H](Nc3cccc(F)c3)C2)CC1 ZINC000072142035 203167739 /nfs/dbraw/zinc/16/77/39/203167739.db2.gz DHXNLHZZPSIGFP-IBGZPJMESA-N 1 0 347.478 3.351 50 0 EGAARO CN(CCC[NH+]1CCCC1)c1cc(-c2ccccc2)nc2ccnn21 ZINC000072149730 203173254 /nfs/dbraw/zinc/17/32/54/203173254.db2.gz 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O=C(C[N@@H+]1CCCC[C@@H]1CCc1cccs1)NCc1ccccn1 ZINC000077423090 203387778 /nfs/dbraw/zinc/38/77/78/203387778.db2.gz RYZTXXJIZZGFFH-QGZVFWFLSA-N 1 0 343.496 3.247 50 0 EGAARO CCCNc1ncc(CN2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC000077458744 203389551 /nfs/dbraw/zinc/38/95/51/203389551.db2.gz FUUWURXOHUAUIU-SFHVURJKSA-N 1 0 331.508 3.139 50 0 EGAARO Cc1c2ccccc2oc1CN1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077489008 203391269 /nfs/dbraw/zinc/39/12/69/203391269.db2.gz DWHTXOWOPOXUDF-HXUWFJFHSA-N 1 0 328.456 3.164 50 0 EGAARO Cc1ncsc1CCC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077489638 203391498 /nfs/dbraw/zinc/39/14/98/203391498.db2.gz KAKPDNFLNPGJJI-UHFFFAOYSA-N 1 0 349.525 3.180 50 0 EGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077537879 203394609 /nfs/dbraw/zinc/39/46/09/203394609.db2.gz PIWJJWFYFLCJEI-QGZVFWFLSA-N 1 0 335.455 3.412 50 0 EGAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)cc(C)c1)CC2 ZINC000091452642 218009127 /nfs/dbraw/zinc/00/91/27/218009127.db2.gz PTUIORUHNFTKFI-UHFFFAOYSA-N 1 0 344.499 3.154 50 0 EGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(-c2cscn2)cc1 ZINC000299788119 258094244 /nfs/dbraw/zinc/09/42/44/258094244.db2.gz VHPRSKCXFSEKDC-HNNXBMFYSA-N 1 0 330.457 3.416 50 0 EGAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000299800295 258103685 /nfs/dbraw/zinc/10/36/85/258103685.db2.gz VGKBDEGHEPINKA-HNNXBMFYSA-N 1 0 340.427 3.432 50 0 EGAARO Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1OCCC[NH3+] ZINC000299757175 258075211 /nfs/dbraw/zinc/07/52/11/258075211.db2.gz NLBCFZGGIHTAIO-ZDUSSCGKSA-N 1 0 348.393 3.492 50 0 EGAARO O=C(NCC[NH+]1CCCC1)c1cccc(-c2ccc(Cl)cn2)c1 ZINC000299762668 258079200 /nfs/dbraw/zinc/07/92/00/258079200.db2.gz OVVBYIDIIFJVQE-UHFFFAOYSA-N 1 0 329.831 3.228 50 0 EGAARO c1nc2c([nH]1)[C@@H](c1ccc(-c3ccc4c(c3)OCCO4)cc1)[NH2+]CC2 ZINC000067490338 285579748 /nfs/dbraw/zinc/57/97/48/285579748.db2.gz DOVJFHHAPMQXNM-LJQANCHMSA-N 1 0 333.391 3.083 50 0 EGAARO C[NH+]1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1 ZINC000002516018 273900786 /nfs/dbraw/zinc/90/07/86/273900786.db2.gz LXFHSCDLMBZYKY-UHFFFAOYSA-N 1 0 334.345 3.258 50 0 investigational EGAARO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc2c1OCC2 ZINC000055199832 279434481 /nfs/dbraw/zinc/43/44/81/279434481.db2.gz YSJDWWVALGXHEV-UHFFFAOYSA-N 1 0 330.472 3.348 50 0 EGAARO C[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756470 300741502 /nfs/dbraw/zinc/74/15/02/300741502.db2.gz UKMMIHKBIFDMAW-PMACEKPBSA-N 1 0 329.415 3.149 50 0 EGAARO CC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@@H](C)O ZINC000529596056 313363991 /nfs/dbraw/zinc/36/39/91/313363991.db2.gz NTYANPFIRDBYSW-SCZZXKLOSA-N 1 0 344.278 3.150 50 0 EGAARO O=C(NCc1c(F)cccc1Cl)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264552954 455235736 /nfs/dbraw/zinc/23/57/36/455235736.db2.gz DCEKAMSCELDEJF-CYBMUJFWSA-N 1 0 339.842 3.249 50 0 EGAARO CC(C)c1noc(C2CC[NH+](CCn3cnc4ccccc43)CC2)n1 ZINC000240936889 455265804 /nfs/dbraw/zinc/26/58/04/455265804.db2.gz SFLDMXFFOFMAIR-UHFFFAOYSA-N 1 0 339.443 3.422 50 0 EGAARO CC[N@@H+](CCc1nc2cc(F)ccc2[nH]1)CCn1cc(Cl)cn1 ZINC000244796103 455276989 /nfs/dbraw/zinc/27/69/89/455276989.db2.gz RSXZMTYJGLSTNV-UHFFFAOYSA-N 1 0 335.814 3.117 50 0 EGAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccco1 ZINC000000305735 452559286 /nfs/dbraw/zinc/55/92/86/452559286.db2.gz PIIYILCWWZVUHS-UHFFFAOYSA-N 1 0 338.411 3.368 50 0 EGAARO COc1ccc(C(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000000350371 452568791 /nfs/dbraw/zinc/56/87/91/452568791.db2.gz QUHKTRDPOJXZCD-UHFFFAOYSA-N 1 0 338.451 3.086 50 0 EGAARO CCCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000001930699 452681280 /nfs/dbraw/zinc/68/12/80/452681280.db2.gz WGZCXDIINNDOQJ-UHFFFAOYSA-N 1 0 338.473 3.132 50 0 EGAARO CC(C)Cc1nc2oc3c(ncnc3NCC[NH3+])c2c2c1CCCC2 ZINC000002326129 452692876 /nfs/dbraw/zinc/69/28/76/452692876.db2.gz BCPCFRSMIQKRCW-UHFFFAOYSA-N 1 0 339.443 3.219 50 0 EGAARO [NH3+]CCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC000002517053 452701915 /nfs/dbraw/zinc/70/19/15/452701915.db2.gz WAEIMOCPASQBSR-UHFFFAOYSA-N 1 0 340.876 3.291 50 0 in-vitro EGAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccco3)sc2c1 ZINC000004359096 452801149 /nfs/dbraw/zinc/80/11/49/452801149.db2.gz PPPIIFBUVJBZMU-UHFFFAOYSA-N 1 0 329.425 3.406 50 0 EGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3OC)cc2)CC1 ZINC000004450449 452804289 /nfs/dbraw/zinc/80/42/89/452804289.db2.gz WFVGXJQBPPKGEV-UHFFFAOYSA-N 1 0 339.439 3.089 50 0 EGAARO CCOc1cc(C[NH2+]CCO)ccc1OCc1ccccc1Cl ZINC000004670728 452812338 /nfs/dbraw/zinc/81/23/38/452812338.db2.gz CXDRELOCLCVNTN-UHFFFAOYSA-N 1 0 335.831 3.400 50 0 EGAARO CCOc1cccc(C[NH2+]CCO)c1OCc1ccccc1Cl ZINC000004670727 452812763 /nfs/dbraw/zinc/81/27/63/452812763.db2.gz IKMCWEKZWDFVHA-UHFFFAOYSA-N 1 0 335.831 3.400 50 0 EGAARO Clc1cccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)c1 ZINC000004838393 452822353 /nfs/dbraw/zinc/82/23/53/452822353.db2.gz MWJCHAYLHHMYRL-UHFFFAOYSA-N 1 0 334.847 3.412 50 0 EGAARO c1ccc(COc2ccccc2OCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000004868978 452823909 /nfs/dbraw/zinc/82/39/09/452823909.db2.gz JUPLZRUOTADCQX-SFHVURJKSA-N 1 0 327.424 3.413 50 0 EGAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC3 ZINC000004871619 452824518 /nfs/dbraw/zinc/82/45/18/452824518.db2.gz LEZNGZQEMXODLX-IYBDPMFKSA-N 1 0 339.483 3.339 50 0 EGAARO C[NH+](C)CCNC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000005043550 452834379 /nfs/dbraw/zinc/83/43/79/452834379.db2.gz CTSMDTNZDVDKNR-AGXSTUJCSA-N 1 0 326.484 3.202 50 0 EGAARO O[C@H](CN1c2ccccc2N2CCC[NH+]=C12)c1ccc(Cl)cc1 ZINC000006616526 452961218 /nfs/dbraw/zinc/96/12/18/452961218.db2.gz MCROTVLLGLNWRU-QGZVFWFLSA-N 1 0 327.815 3.460 50 0 aggregator EGAARO C[NH+](C)CCn1cnc2oc(-c3ccco3)c(-c3ccco3)c2c1=N ZINC000009576239 453257743 /nfs/dbraw/zinc/25/77/43/453257743.db2.gz PZTRAUHERPLSOH-UHFFFAOYSA-N 1 0 338.367 3.190 50 0 EGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214122 453280476 /nfs/dbraw/zinc/28/04/76/453280476.db2.gz VDKXJBBFRBSYPA-LJQANCHMSA-N 1 0 349.434 3.358 50 0 EGAARO Cc1cccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000010450809 453292008 /nfs/dbraw/zinc/29/20/08/453292008.db2.gz HWKNPNXWUVYBLD-UHFFFAOYSA-N 1 0 338.451 3.155 50 0 EGAARO CCC(=O)NC[C@@H](C)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000011880892 453334455 /nfs/dbraw/zinc/33/44/55/453334455.db2.gz QOYXBVDPSYBGPI-OAHLLOKOSA-N 1 0 330.428 3.205 50 0 EGAARO Cc1nc[nH]c1CN(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011936388 453339708 /nfs/dbraw/zinc/33/97/08/453339708.db2.gz JXSUOKXESLHCFY-SFHVURJKSA-N 1 0 344.478 3.244 50 0 EGAARO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000011935994 453341263 /nfs/dbraw/zinc/34/12/63/453341263.db2.gz XIYBJGQEOOTTKR-JOCHJYFZSA-N 1 0 349.478 3.391 50 0 EGAARO Fc1ccccc1CN1CCC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000012053931 453342618 /nfs/dbraw/zinc/34/26/18/453342618.db2.gz FBYYIPHYZAFTGG-HXUWFJFHSA-N 1 0 332.463 3.293 50 0 EGAARO Cc1cc(C[N@@H+](C)[C@H]2CCC(=O)N(Cc3cccc(C)c3)CC2)on1 ZINC000012037923 453342976 /nfs/dbraw/zinc/34/29/76/453342976.db2.gz MBMNVRRZMDKCMT-SFHVURJKSA-N 1 0 341.455 3.305 50 0 EGAARO Cc1cc(C)c2c(n1)sc1c2ncn(CC[NH+]2CCCCC2)c1=O ZINC000012324474 453356077 /nfs/dbraw/zinc/35/60/77/453356077.db2.gz KVOKROZCFZGUNR-UHFFFAOYSA-N 1 0 342.468 3.109 50 0 EGAARO COc1cccc2c(NC(=O)C[NH+]3CCCCCC3)cc(C)nc12 ZINC000012324337 453357543 /nfs/dbraw/zinc/35/75/43/453357543.db2.gz HLNKYHUAMZQRFK-UHFFFAOYSA-N 1 0 327.428 3.366 50 0 EGAARO CC[NH2+]CC[C@H]1CCC(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000012450630 453364495 /nfs/dbraw/zinc/36/44/95/453364495.db2.gz LGXVAOBFHWNSOX-OAHLLOKOSA-N 1 0 329.469 3.301 50 0 EGAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)(C)C)C2)c1 ZINC000012458453 453364628 /nfs/dbraw/zinc/36/46/28/453364628.db2.gz IOBPGHJMSXFZBL-HNNXBMFYSA-N 1 0 348.487 3.192 50 0 EGAARO O=C(CCc1ccccc1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012718855 453395166 /nfs/dbraw/zinc/39/51/66/453395166.db2.gz DZTCVSZKTZCFBR-NRFANRHFSA-N 1 0 336.479 3.443 50 0 EGAARO CC(C)c1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000014998543 453550781 /nfs/dbraw/zinc/55/07/81/453550781.db2.gz HJCCAGZFUKWYQI-SFHVURJKSA-N 1 0 340.471 3.311 50 0 EGAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000015855971 453587492 /nfs/dbraw/zinc/58/74/92/453587492.db2.gz VFSTWMJGMRYVBV-UHFFFAOYSA-N 1 0 342.439 3.125 50 0 EGAARO Cc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000024699061 453743245 /nfs/dbraw/zinc/74/32/45/453743245.db2.gz NVETZDVQVKBBIS-UHFFFAOYSA-N 1 0 337.467 3.318 50 0 EGAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCCCO)CCO2 ZINC000067459002 453932920 /nfs/dbraw/zinc/93/29/20/453932920.db2.gz HWUFZOOCULOZBP-UHFFFAOYSA-N 1 0 327.424 3.335 50 0 EGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccccc2F)[C@H](CCO)C1 ZINC000039516065 453944515 /nfs/dbraw/zinc/94/45/15/453944515.db2.gz NDEJPDBHRUPJME-HXUWFJFHSA-N 1 0 342.458 3.203 50 0 EGAARO CC[N@@H+]1CCC[C@@H](CN(C)c2nc(C)c3ccc(OC)cc3n2)C1 ZINC000067588197 453946184 /nfs/dbraw/zinc/94/61/84/453946184.db2.gz VVPQTTGCAHWDNE-HNNXBMFYSA-N 1 0 328.460 3.115 50 0 EGAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccc(Br)cc1 ZINC000040267848 453949124 /nfs/dbraw/zinc/94/91/24/453949124.db2.gz XKCUOIIJBXANNM-RDJZCZTQSA-N 1 0 343.224 3.374 50 0 EGAARO CCn1nc(C)c([C@H](C)Nc2cc(C3CC[NH2+]CC3)nc(C)n2)c1C ZINC000067674077 453955192 /nfs/dbraw/zinc/95/51/92/453955192.db2.gz QYTSWYZUDQKVQP-LBPRGKRZSA-N 1 0 342.491 3.258 50 0 EGAARO C[C@@H](c1cc2ccccc2[nH]1)[N@H+](C)CCC(=O)NCc1ccco1 ZINC000067846939 453972030 /nfs/dbraw/zinc/97/20/30/453972030.db2.gz ANCORFVMBQWAIT-AWEZNQCLSA-N 1 0 325.412 3.460 50 0 EGAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](CNC(=O)c2occc2C)C1 ZINC000067851164 453972667 /nfs/dbraw/zinc/97/26/67/453972667.db2.gz IKOXRFXTEVTEDE-DKGMDFAASA-N 1 0 328.412 3.336 50 0 EGAARO Cc1ccc2[nH]cc(C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)c2c1 ZINC000067895014 453978242 /nfs/dbraw/zinc/97/82/42/453978242.db2.gz TZTZUBNDCZQKTG-UHFFFAOYSA-N 1 0 337.423 3.417 50 0 EGAARO CCNc1ncc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 ZINC000067935056 453982031 /nfs/dbraw/zinc/98/20/31/453982031.db2.gz KLZSQJINRYHDGP-OAHLLOKOSA-N 1 0 337.427 3.429 50 0 EGAARO CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095366640 454198387 /nfs/dbraw/zinc/19/83/87/454198387.db2.gz IUSHAKVRHIXTOZ-KRWDZBQOSA-N 1 0 338.455 3.026 50 0 EGAARO Cc1[nH]ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000095382646 454200612 /nfs/dbraw/zinc/20/06/12/454200612.db2.gz OCWJPBZLGFOGKA-FUHWJXTLSA-N 1 0 341.430 3.199 50 0 EGAARO Cc1nc2cc(CNC(=O)CC3CC[NH+](C(C)C)CC3)ccc2n1C ZINC000095509414 454225421 /nfs/dbraw/zinc/22/54/21/454225421.db2.gz SMVMWUHCDXYNLM-UHFFFAOYSA-N 1 0 342.487 3.008 50 0 EGAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)cc[nH+]1 ZINC000095528436 454229058 /nfs/dbraw/zinc/22/90/58/454229058.db2.gz XZXNWBUWJYDDKA-OAHLLOKOSA-N 1 0 339.468 3.475 50 0 EGAARO COc1ccc(C[C@H](C[NH+](C)C)C(=O)c2ccccc2)cc1OC ZINC000096027163 454264821 /nfs/dbraw/zinc/26/48/21/454264821.db2.gz WQWYKNKIWVZFBE-QGZVFWFLSA-N 1 0 327.424 3.307 50 0 EGAARO CSCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000096139822 454291464 /nfs/dbraw/zinc/29/14/64/454291464.db2.gz DCHISBGNHRIWIF-KRWDZBQOSA-N 1 0 332.513 3.078 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000096137898 454292084 /nfs/dbraw/zinc/29/20/84/454292084.db2.gz ZKGXAYLZVOLZKS-AWEZNQCLSA-N 1 0 339.443 3.167 50 0 EGAARO CCCOc1cc(Cl)c(CN2CCC[C@@H]([NH3+])CC2)cc1OC ZINC000097301475 454432359 /nfs/dbraw/zinc/43/23/59/454432359.db2.gz RKFBGRLSYOEWDW-CQSZACIVSA-N 1 0 326.868 3.451 50 0 EGAARO CC(C)(C)c1cc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)[nH]n1 ZINC000091380933 454432463 /nfs/dbraw/zinc/43/24/63/454432463.db2.gz STNOZNZZMZEWHF-UHFFFAOYSA-N 1 0 344.503 3.074 50 0 EGAARO CC(C)=CC[C@]1(CO)CCC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000091830291 454477846 /nfs/dbraw/zinc/47/78/46/454477846.db2.gz MEUBKCRMTNTKBE-OAQYLSRUSA-N 1 0 348.531 3.208 50 0 EGAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cn1 ZINC000091943614 454491351 /nfs/dbraw/zinc/49/13/51/454491351.db2.gz NJWVGRYFTCPDTH-UYAOXDASSA-N 1 0 335.451 3.127 50 0 EGAARO CCOc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000065255303 454546266 /nfs/dbraw/zinc/54/62/66/454546266.db2.gz XIAGPKUXGYWXHJ-HXUWFJFHSA-N 1 0 340.467 3.249 50 0 EGAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cccn3-c3nccs3)C2)n1 ZINC000065456055 454570772 /nfs/dbraw/zinc/57/07/72/454570772.db2.gz OTXAARCBPMTACF-MRXNPFEDSA-N 1 0 327.457 3.194 50 0 EGAARO C[N@@H+]1CCN(Cc2cncn2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000252484317 455809478 /nfs/dbraw/zinc/80/94/78/455809478.db2.gz FUGTXBNIRYEQTO-QFIPXVFZSA-N 1 0 346.478 3.420 50 0 EGAARO C[NH+](C)CCCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000253414865 455840858 /nfs/dbraw/zinc/84/08/58/455840858.db2.gz YVICTTFGMIMPHO-QGZVFWFLSA-N 1 0 347.890 3.383 50 0 EGAARO C[C@@H](CCC(=O)N(C)Cc1cccc2ncccc12)[NH+]1CCCC1 ZINC000221369960 456043144 /nfs/dbraw/zinc/04/31/44/456043144.db2.gz LXLJKOVAYDZBSG-INIZCTEOSA-N 1 0 325.456 3.458 50 0 EGAARO CC[N@@H+](Cc1cnc(-c2ccc(OC)cc2)nc1)C[C@@H]1CCCO1 ZINC000223605382 456058488 /nfs/dbraw/zinc/05/84/88/456058488.db2.gz QJZNKBIEJBTUNB-SFHVURJKSA-N 1 0 327.428 3.153 50 0 EGAARO CN(C(=O)c1cc(F)ccc1OCC[NH3+])[C@H]1CCCc2ccccc21 ZINC000426404368 457822749 /nfs/dbraw/zinc/82/27/49/457822749.db2.gz RUIDZIUGIKLHMG-SFHVURJKSA-N 1 0 342.414 3.313 50 0 EGAARO Fc1ccc(-c2nnc3n2C[C@H]([NH2+]C2CC4(CCC4)C2)CC3)cc1 ZINC000459456350 458377696 /nfs/dbraw/zinc/37/76/96/458377696.db2.gz DXOSTSVOPQEZSU-OAHLLOKOSA-N 1 0 326.419 3.321 50 0 EGAARO CC[C@H](CNC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)[N@H+](C)CC ZINC000534646458 459341680 /nfs/dbraw/zinc/34/16/80/459341680.db2.gz WSAUSMCQAOZDJQ-MRXNPFEDSA-N 1 0 334.439 3.179 50 0 EGAARO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000526056107 459539992 /nfs/dbraw/zinc/53/99/92/459539992.db2.gz VVFVXOCAHSRLMZ-UHFFFAOYSA-N 1 0 336.391 3.205 50 0 EGAARO CCc1[nH]nc(Cl)c1CNC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000585137129 459828654 /nfs/dbraw/zinc/82/86/54/459828654.db2.gz JQWFYQOCDXQHKX-CYBMUJFWSA-N 1 0 347.894 3.336 50 0 EGAARO COCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000012331771 1291131464 /nfs/dbraw/zinc/13/14/64/1291131464.db2.gz AWNOTLPQHBCQQV-FQEVSTJZSA-N 1 0 340.467 3.347 50 0 EGAARO COc1ccc(-c2ccccc2CN2CC[NH2+]CC2)c2cccnc12 ZINC000067648947 1292166665 /nfs/dbraw/zinc/16/66/65/1292166665.db2.gz SNEQZFFUYCUIDS-UHFFFAOYSA-N 1 0 333.435 3.316 50 0 EGAARO Clc1ccccc1[C@H]1CCN(Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072156442 1292276074 /nfs/dbraw/zinc/27/60/74/1292276074.db2.gz LJADESGAWOBVFW-AWEZNQCLSA-N 1 0 330.863 3.019 50 0 EGAARO O=C(NCc1ccc2c(c1)CCO2)C1([NH+]2CCCC2)CCCCC1 ZINC000827661129 1292353242 /nfs/dbraw/zinc/35/32/42/1292353242.db2.gz GVUKIJXTOSYTCT-UHFFFAOYSA-N 1 0 328.456 3.036 50 0 EGAARO O=C(Nc1ccc2scnc2c1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000827733375 1292362580 /nfs/dbraw/zinc/36/25/80/1292362580.db2.gz XJSWQLQZAMUNAT-CYBMUJFWSA-N 1 0 345.468 3.126 50 0 EGAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N(CC1CCC1)C[C@H]1CCCO1 ZINC000828166487 1292438036 /nfs/dbraw/zinc/43/80/36/1292438036.db2.gz NYTVUCNAGXUBQE-QGZVFWFLSA-N 1 0 346.471 3.297 50 0 EGAARO CC(C)Cc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)o2)n(CCO)n1 ZINC000828778371 1292498095 /nfs/dbraw/zinc/49/80/95/1292498095.db2.gz LTBHIZJIHHUUPI-HNNXBMFYSA-N 1 0 346.475 3.276 50 0 EGAARO c1ccc(C[N@@H+]2CC[C@@H](Nc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000096160466 1292948136 /nfs/dbraw/zinc/94/81/36/1292948136.db2.gz VANSHFHTUBYKOA-GOSISDBHSA-N 1 0 331.423 3.225 50 0 EGAARO COc1ccccc1Cc1nc(-c2ccc(C[NH+]3CCCC3)o2)n[nH]1 ZINC000824821916 1320289843 /nfs/dbraw/zinc/28/98/43/1320289843.db2.gz YIZSTLSZLXGUKS-UHFFFAOYSA-N 1 0 338.411 3.260 50 0 EGAARO CC[N@H+](Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)[C@@H](C)CCO ZINC000952873723 1334584523 /nfs/dbraw/zinc/58/45/23/1334584523.db2.gz YYZFERIHBRBYEJ-ZDUSSCGKSA-N 1 0 329.396 3.210 50 0 EGAARO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@@]1(C)CC[N@@H+](C)C1 ZINC000952874118 1334585291 /nfs/dbraw/zinc/58/52/91/1334585291.db2.gz WLMQUGOKEIPISE-FQEVSTJZSA-N 1 0 343.471 3.404 50 0 EGAARO Cc1cc(C)n(-c2ccc(F)cc2C[NH2+]Cc2cccc(CO)c2)n1 ZINC000952962672 1334625395 /nfs/dbraw/zinc/62/53/95/1334625395.db2.gz FJAGNSIUQSCHOG-UHFFFAOYSA-N 1 0 339.414 3.410 50 0 EGAARO CC(C)n1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000952981362 1334629634 /nfs/dbraw/zinc/62/96/34/1334629634.db2.gz SUHKTIKVCVLWOX-UHFFFAOYSA-N 1 0 342.443 3.189 50 0 EGAARO CC(=O)c1cc(C[NH2+][C@@H]2CCCN(Cc3cccs3)C2)n(C)c1 ZINC000952984454 1334630592 /nfs/dbraw/zinc/63/05/92/1334630592.db2.gz UCHNQBXCGDKXNW-MRXNPFEDSA-N 1 0 331.485 3.043 50 0 EGAARO Cc1nc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)n(C)c1C ZINC000952992125 1334631832 /nfs/dbraw/zinc/63/18/32/1334631832.db2.gz XCKYYMQZYSTEAR-UHFFFAOYSA-N 1 0 340.515 3.381 50 0 EGAARO CO[C@@H]1CCC[C@]12CCC[N@H+](CC(=O)Nc1ccc(F)cc1C)C2 ZINC001704298264 1416433058 /nfs/dbraw/zinc/43/30/58/1416433058.db2.gz FZHWRMPKNYDLLR-IEBWSBKVSA-N 1 0 334.435 3.354 50 0 EGAARO Nc1ncc2c(n1)[C@]1(CC2)CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC001704303893 1416434472 /nfs/dbraw/zinc/43/44/72/1416434472.db2.gz DHHQAYOHQOZDCY-FQEVSTJZSA-N 1 0 333.439 3.020 50 0 EGAARO Cc1nccn1CC[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC001704350326 1416452657 /nfs/dbraw/zinc/45/26/57/1416452657.db2.gz IMLZLAMJSIADLJ-LJQANCHMSA-N 1 0 340.471 3.099 50 0 EGAARO COc1ccc(F)c(-c2nccn2[C@@H]2COC[C@H]2[NH+]2CCCCC2)c1 ZINC001772812474 1441417498 /nfs/dbraw/zinc/41/74/98/1441417498.db2.gz JSUIWFNTYMBETA-QZTJIDSGSA-N 1 0 345.418 3.124 50 0 EGAARO Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000004163819 210136858 /nfs/dbraw/zinc/13/68/58/210136858.db2.gz XCZDAVNKJFSTDQ-CQSZACIVSA-N 1 0 341.455 3.040 50 0 EGAARO CC(C)(C)C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011937018 201820459 /nfs/dbraw/zinc/82/04/59/201820459.db2.gz WQVLWTRLKYFFPC-GOSISDBHSA-N 1 0 329.488 3.188 50 0 EGAARO CC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000019789957 202020367 /nfs/dbraw/zinc/02/03/67/202020367.db2.gz AGPCLKFGJGWZQP-MRXNPFEDSA-N 1 0 326.440 3.161 50 0 EGAARO Clc1ccccc1-c1cn(C2CC[NH+](C3CCOCC3)CC2)nn1 ZINC000020780313 202054895 /nfs/dbraw/zinc/05/48/95/202054895.db2.gz 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XRURTEQXMJIOGX-HNNXBMFYSA-N 1 0 327.476 3.358 50 0 EGAARO Cc1cccc2c(=O)c(C[NH+]3CCN(c4ccccc4)CC3)c(C)[nH]c12 ZINC000019793685 212069360 /nfs/dbraw/zinc/06/93/60/212069360.db2.gz GNLUWNRDHSIUAP-UHFFFAOYSA-N 1 0 347.462 3.467 50 0 EGAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353645 203382196 /nfs/dbraw/zinc/38/21/96/203382196.db2.gz IYWMASQTTIJIAN-KRWDZBQOSA-N 1 0 337.427 3.378 50 0 EGAARO COc1cccc(-c2nccn2CCCOC2CC[NH+](C)CC2)c1 ZINC000077356631 203383308 /nfs/dbraw/zinc/38/33/08/203383308.db2.gz RCYOPVWNZKUBJO-UHFFFAOYSA-N 1 0 329.444 3.060 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1 ZINC000077407510 203387524 /nfs/dbraw/zinc/38/75/24/203387524.db2.gz SFIJDUHTASVDJA-FQEVSTJZSA-N 1 0 346.446 3.201 50 0 EGAARO CCOc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077438613 203388110 /nfs/dbraw/zinc/38/81/10/203388110.db2.gz CRPCCTYACWIBKN-OAQYLSRUSA-N 1 0 342.483 3.452 50 0 EGAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H](c3cc[nH]n3)C1)CO2 ZINC000077456069 203389390 /nfs/dbraw/zinc/38/93/90/203389390.db2.gz DFNZOTQVXIJDQD-OAHLLOKOSA-N 1 0 325.412 3.074 50 0 EGAARO c1ccc2c(c1)CCCN2CCC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000077505328 203392052 /nfs/dbraw/zinc/39/20/52/203392052.db2.gz ATMKBGWRWGVCJW-IBGZPJMESA-N 1 0 344.499 3.147 50 0 EGAARO Cc1cc(N2CCCN(C(=O)Cn3ccc4ccccc43)CC2)cc[nH+]1 ZINC000091694876 203646329 /nfs/dbraw/zinc/64/63/29/203646329.db2.gz VPLMJPVNUKLGKA-UHFFFAOYSA-N 1 0 348.450 3.084 50 0 EGAARO C[NH+]1CCC(C)(C(=O)NCCCSCc2ccccc2F)CC1 ZINC000097553306 203950376 /nfs/dbraw/zinc/95/03/76/203950376.db2.gz LTRGKKJDBZBWFN-UHFFFAOYSA-N 1 0 338.492 3.297 50 0 EGAARO Cc1cc(C(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)c(C)o1 ZINC000075149145 291754830 /nfs/dbraw/zinc/75/48/30/291754830.db2.gz DJDQISUETWGOBX-IBGZPJMESA-N 1 0 339.439 3.421 50 0 EGAARO CCCc1ccc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000012441432 207145318 /nfs/dbraw/zinc/14/53/18/207145318.db2.gz BXXZISWMMUEGBZ-UHFFFAOYSA-N 1 0 338.517 3.038 50 0 EGAARO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000013011136 207274043 /nfs/dbraw/zinc/27/40/43/207274043.db2.gz HZMSAMWCUSYXTF-CQSZACIVSA-N 1 0 338.860 3.443 50 0 EGAARO CC1=C(CC[N@@H+]2CC[C@@H](Nc3ncccn3)[C@H](O)C2)C(C)(C)CCC1 ZINC000299802058 258104868 /nfs/dbraw/zinc/10/48/68/258104868.db2.gz WWCBAEAAAHQPST-QZTJIDSGSA-N 1 0 344.503 3.240 50 0 EGAARO Cc1cc(CN(C)C(=O)c2ccc(Cl)cc2OCCC[NH3+])ccn1 ZINC000299803169 258105891 /nfs/dbraw/zinc/10/58/91/258105891.db2.gz YTZPYRVFFDJZES-UHFFFAOYSA-N 1 0 347.846 3.043 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299759405 258076680 /nfs/dbraw/zinc/07/66/80/258076680.db2.gz REWGSGGOTFHKOL-GFCCVEGCSA-N 1 0 332.835 3.494 50 0 EGAARO [NH3+]C1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000012396873 135694601 /nfs/dbraw/zinc/69/46/01/135694601.db2.gz MZTSVSABNYUVPL-UHFFFAOYSA-N 1 0 328.363 3.151 50 0 EGAARO CN(CC[NH+]1CCCC1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000112741263 162187417 /nfs/dbraw/zinc/18/74/17/162187417.db2.gz DNQKFUJSIFMTIK-SFHVURJKSA-N 1 0 327.428 3.106 50 0 EGAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH2+]C(C)C)[C@H]3CCC1 ZINC000001257736 281131029 /nfs/dbraw/zinc/13/10/29/281131029.db2.gz REQHIGZKPANFBN-UZLBHIALSA-N 1 0 341.499 3.002 50 0 EGAARO Cc1nnc(-c2ccccc2-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)o1 ZINC000067757463 293813098 /nfs/dbraw/zinc/81/30/98/293813098.db2.gz CLKJDAOYCANIQM-CYBMUJFWSA-N 1 0 325.343 3.113 50 0 EGAARO COc1ccccc1N1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000011820704 323212178 /nfs/dbraw/zinc/21/21/78/323212178.db2.gz NKIRQWVLKMXKCE-SFHVURJKSA-N 1 0 338.451 3.257 50 0 EGAARO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000000119888 452512844 /nfs/dbraw/zinc/51/28/44/452512844.db2.gz FAKNQILCVBQSHJ-UHFFFAOYSA-N 1 0 341.430 3.285 50 0 EGAARO COc1cc2c(cc1O)CC[n+]1cc3c(ccc(OC)c3OC)cc1-2 ZINC000000338122 452566932 /nfs/dbraw/zinc/56/69/32/452566932.db2.gz MXTLAHSTUOXGQF-UHFFFAOYSA-O 1 0 338.383 3.082 50 0 biogenic,in-vivo EGAARO CCOc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000000359986 452570666 /nfs/dbraw/zinc/57/06/66/452570666.db2.gz IIKNYFYCJFRNPU-UHFFFAOYSA-N 1 0 339.439 3.089 50 0 EGAARO C[C@H](Oc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000476411 452604601 /nfs/dbraw/zinc/60/46/01/452604601.db2.gz BHLSQGCACOKKKM-KRWDZBQOSA-N 1 0 338.451 3.235 50 0 EGAARO COc1ccc(OC)c(C[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000002736002 452717958 /nfs/dbraw/zinc/71/79/58/452717958.db2.gz SYMAGBODNQIFAB-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 EGAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000002861191 452730226 /nfs/dbraw/zinc/73/02/26/452730226.db2.gz ZKEPIWSXBKOKJI-UHFFFAOYSA-N 1 0 340.467 3.312 50 0 EGAARO COc1cc2c(cc1OC)[C@@H]1[N@H+](CC[C@]1(O)c1ccc(F)cc1)CC2 ZINC000004089749 452792735 /nfs/dbraw/zinc/79/27/35/452792735.db2.gz CHVNLMGGTMLHNX-PMACEKPBSA-N 1 0 343.398 3.034 50 0 biogenic EGAARO COc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc(OC)c1 ZINC000004989381 452829366 /nfs/dbraw/zinc/82/93/66/452829366.db2.gz HRESOYSDTSYUEC-UHFFFAOYSA-N 1 0 340.467 3.458 50 0 EGAARO CCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCC(C)CC1)n2C ZINC000005824656 452905428 /nfs/dbraw/zinc/90/54/28/452905428.db2.gz OVWBEZJUVBWIHJ-UHFFFAOYSA-N 1 0 328.460 3.196 50 0 EGAARO CC(C)[NH+](CCNC(=O)c1cc(=O)c2cc(Cl)ccc2[nH]1)C(C)C ZINC000006263012 452929443 /nfs/dbraw/zinc/92/94/43/452929443.db2.gz QJDIUJFOUCBULD-UHFFFAOYSA-N 1 0 349.862 3.030 50 0 EGAARO COc1cccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)c1 ZINC000008862571 453235899 /nfs/dbraw/zinc/23/58/99/453235899.db2.gz JRDSECLIPMEIFF-KRWDZBQOSA-N 1 0 330.453 3.324 50 0 EGAARO Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010450807 453290782 /nfs/dbraw/zinc/29/07/82/453290782.db2.gz KWVQESRPEYDCAU-UHFFFAOYSA-N 1 0 338.451 3.155 50 0 EGAARO CC[NH+](CC)CC(=O)N[C@H](C)c1cnn(-c2ccccc2C)c1C ZINC000011816405 453335820 /nfs/dbraw/zinc/33/58/20/453335820.db2.gz LNCMEFQLRKVQMR-OAHLLOKOSA-N 1 0 328.460 3.008 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000012225735 453350510 /nfs/dbraw/zinc/35/05/10/453350510.db2.gz FXOQZPXDMJNVQS-INIZCTEOSA-N 1 0 348.874 3.246 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000012387836 453359011 /nfs/dbraw/zinc/35/90/11/453359011.db2.gz IKPVPPQXTJCFFU-MRXNPFEDSA-N 1 0 343.402 3.114 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)c2cccc(Br)c2)CC1 ZINC000012382546 453359310 /nfs/dbraw/zinc/35/93/10/453359310.db2.gz MUODNSPPMUZZPO-UHFFFAOYSA-N 1 0 325.250 3.052 50 0 EGAARO OCC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1F)Cc1ccccc1 ZINC000012443755 453362060 /nfs/dbraw/zinc/36/20/60/453362060.db2.gz RHRFJWNKBHLQMY-UHFFFAOYSA-N 1 0 343.377 3.349 50 0 EGAARO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000013671078 453480720 /nfs/dbraw/zinc/48/07/20/453480720.db2.gz MAOTZDUKMTXPFK-UHFFFAOYSA-N 1 0 338.517 3.012 50 0 EGAARO CCOC(=O)[C@H]1CC2(CCN(Cc3ccccc3)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014987441 453551103 /nfs/dbraw/zinc/55/11/03/453551103.db2.gz XQKPAWKYOKHCKG-OALUTQOASA-N 1 0 342.483 3.069 50 0 EGAARO CSCC[C@H](C)[N@@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000015070080 453554720 /nfs/dbraw/zinc/55/47/20/453554720.db2.gz CUQDHUZBXHBUCO-LBPRGKRZSA-N 1 0 345.468 3.305 50 0 EGAARO CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCC[N@H+](C)CC1 ZINC000015952191 453589412 /nfs/dbraw/zinc/58/94/12/453589412.db2.gz ZYDJWEGWPUUQER-AWEZNQCLSA-N 1 0 345.270 3.315 50 0 EGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCCOc2ccc(C)cc2OC)C1 ZINC000016527063 453610904 /nfs/dbraw/zinc/61/09/04/453610904.db2.gz MYSIEIRLSUKPNS-KRWDZBQOSA-N 1 0 349.471 3.438 50 0 EGAARO CC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016604673 453614671 /nfs/dbraw/zinc/61/46/71/453614671.db2.gz YWPWSILSEYHNHQ-KRWDZBQOSA-N 1 0 338.879 3.486 50 0 EGAARO CCC[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000016604124 453615050 /nfs/dbraw/zinc/61/50/50/453615050.db2.gz HAPBUOOKWRDZHO-UHFFFAOYSA-N 1 0 325.250 3.053 50 0 EGAARO O[C@]1(c2ccc(F)cc2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000016777083 453621706 /nfs/dbraw/zinc/62/17/06/453621706.db2.gz XQQXBFYVHPSBFQ-FQEVSTJZSA-N 1 0 325.407 3.476 50 0 EGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c1C ZINC000082148109 453926788 /nfs/dbraw/zinc/92/67/88/453926788.db2.gz RMFQNYHLMKJFBU-KRWDZBQOSA-N 1 0 339.483 3.353 50 0 EGAARO COc1cc(C)sc1C(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000082172009 453927736 /nfs/dbraw/zinc/92/77/36/453927736.db2.gz INSHIQCDRCOWHE-UHFFFAOYSA-N 1 0 345.468 3.039 50 0 EGAARO Cc1oc(-c2cccc(F)c2F)nc1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000067604168 453948215 /nfs/dbraw/zinc/94/82/15/453948215.db2.gz SGVGKMQRDYHEHM-CYBMUJFWSA-N 1 0 335.398 3.360 50 0 EGAARO O=C(NC[C@H]1CC[N@H+](Cc2ccoc2)C1)c1cc2sccc2[nH]1 ZINC000067643481 453952001 /nfs/dbraw/zinc/95/20/01/453952001.db2.gz GBRGACMWWVRVJL-GFCCVEGCSA-N 1 0 329.425 3.074 50 0 EGAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000067642306 453952040 /nfs/dbraw/zinc/95/20/40/453952040.db2.gz SYZBZWJMCBFEHG-HNNXBMFYSA-N 1 0 338.879 3.072 50 0 EGAARO O=C(NC[C@H]1CCC[N@H+](C/C=C/c2ccco2)C1)c1cccc(O)c1 ZINC000067675860 453955271 /nfs/dbraw/zinc/95/52/71/453955271.db2.gz PDBMDDLTMVMDMG-ILNGBFOMSA-N 1 0 340.423 3.140 50 0 EGAARO C[C@H](C[NH2+]Cc1cnc(-c2ccc3ccccc3c2)nc1)n1cncn1 ZINC000055054260 453959488 /nfs/dbraw/zinc/95/94/88/453959488.db2.gz FFXGTIOIDRUVCA-OAHLLOKOSA-N 1 0 344.422 3.239 50 0 EGAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1)C1CCC1 ZINC000067758548 453963656 /nfs/dbraw/zinc/96/36/56/453963656.db2.gz PTRAYEYSEVPCAJ-MRXNPFEDSA-N 1 0 337.467 3.363 50 0 EGAARO CCCCOC(=O)N1CCC2(CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000067773408 453965204 /nfs/dbraw/zinc/96/52/04/453965204.db2.gz JMQFZAHSWVOPFR-QGZVFWFLSA-N 1 0 338.492 3.015 50 0 EGAARO CSc1ccc(C[N@H+](CCO)Cc2ccc3c(c2)CCO3)cc1 ZINC000055134404 453965737 /nfs/dbraw/zinc/96/57/37/453965737.db2.gz JZPYQUDOHGAYLL-UHFFFAOYSA-N 1 0 329.465 3.338 50 0 EGAARO c1cnn(Cc2ccccc2-c2nccn2CC[NH+]2CCCCC2)c1 ZINC000067847401 453972095 /nfs/dbraw/zinc/97/20/95/453972095.db2.gz AGCZCMCEPDMYHZ-UHFFFAOYSA-N 1 0 335.455 3.281 50 0 EGAARO Cc1ccc(CN(CC[NH+](C)C)Cc2cccc3nonc32)s1 ZINC000055254069 453973036 /nfs/dbraw/zinc/97/30/36/453973036.db2.gz VOJYFYUMTJJCMZ-UHFFFAOYSA-N 1 0 330.457 3.157 50 0 EGAARO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2ccc(Sc3ncccn3)o2)c1 ZINC000055270237 453973348 /nfs/dbraw/zinc/97/33/48/453973348.db2.gz JCYNFVWFDUWPKV-AWEZNQCLSA-N 1 0 341.440 3.082 50 0 EGAARO CCC[C@H]1COCCN1C(=O)c1cc(C[NH+](CC)CC)c(CC)o1 ZINC000055369649 453978408 /nfs/dbraw/zinc/97/84/08/453978408.db2.gz MUMXOLIUKRQEDU-INIZCTEOSA-N 1 0 336.476 3.325 50 0 EGAARO O=C(NCC[C@@H]1C[N@@H+](C2CCCCCC2)CCO1)c1ccsc1 ZINC000067934319 453981967 /nfs/dbraw/zinc/98/19/67/453981967.db2.gz BXUUAXLCLFEREO-QGZVFWFLSA-N 1 0 336.501 3.292 50 0 EGAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000076329799 453989581 /nfs/dbraw/zinc/98/95/81/453989581.db2.gz ZYEPAEMKLUHBSU-AWEZNQCLSA-N 1 0 327.350 3.407 50 0 EGAARO O=C(OCc1ccccc1)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000042782927 454025369 /nfs/dbraw/zinc/02/53/69/454025369.db2.gz BPVZXOJKIMZRLV-KRWDZBQOSA-N 1 0 325.408 3.422 50 0 EGAARO Cc1cccc2c1ccn2CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085874901 454040512 /nfs/dbraw/zinc/04/05/12/454040512.db2.gz DXBGLPODKRLFEH-PKOBYXMFSA-N 1 0 339.483 3.330 50 0 biogenic EGAARO CCCc1ncc(C[N@@H+]2CC[C@@H](c3cc(OC)ccc3OC)C2)cn1 ZINC000077555351 454122176 /nfs/dbraw/zinc/12/21/76/454122176.db2.gz ZTXKOLHSRIYNJG-MRXNPFEDSA-N 1 0 341.455 3.436 50 0 EGAARO CCc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)on1 ZINC000095353146 454196157 /nfs/dbraw/zinc/19/61/57/454196157.db2.gz MPHJJUOEVQROGA-QFBILLFUSA-N 1 0 343.446 3.473 50 0 EGAARO COc1c(C)cnc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1C ZINC000095366494 454197058 /nfs/dbraw/zinc/19/70/58/454197058.db2.gz GGWQCWURNNBCPR-RBUKOAKNSA-N 1 0 343.515 3.403 50 0 EGAARO Cc1noc(C)c1CCCNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095362830 454197536 /nfs/dbraw/zinc/19/75/36/454197536.db2.gz CIEPJMBWLUKNRU-GOSISDBHSA-N 1 0 341.455 3.121 50 0 EGAARO CC(C)[C@@H]1CN(C(=O)CCCOCc2ccccc2)C[C@H]1[NH+](C)C ZINC000095363414 454197563 /nfs/dbraw/zinc/19/75/63/454197563.db2.gz RPJKJDRPCLUGEK-RBUKOAKNSA-N 1 0 332.488 3.028 50 0 EGAARO Cc1cc(C)c2c(ncnc2N(C)C[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000095385119 454200238 /nfs/dbraw/zinc/20/02/38/454200238.db2.gz VSYXQAFOBBINCI-MRXNPFEDSA-N 1 0 327.476 3.056 50 0 EGAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)cc[nH+]1 ZINC000095388219 454200291 /nfs/dbraw/zinc/20/02/91/454200291.db2.gz RTWUYEBIDBDBIK-KRWDZBQOSA-N 1 0 333.439 3.414 50 0 EGAARO C[N@H+](CCc1noc(C2CC2)n1)C[C@H]1CCOc2ccccc2C1 ZINC000095511332 454225382 /nfs/dbraw/zinc/22/53/82/454225382.db2.gz UADYMIYRTNSDSD-AWEZNQCLSA-N 1 0 327.428 3.063 50 0 EGAARO Cc1nc2ccccn2c1CN1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000095530760 454228558 /nfs/dbraw/zinc/22/85/58/454228558.db2.gz FNJFPFZRXWIABD-PZJWPPBQSA-N 1 0 348.494 3.481 50 0 EGAARO C[N@@H+]1CCCN(C(=O)Nc2ccccc2Oc2cccnc2)CC1 ZINC000096136262 454290412 /nfs/dbraw/zinc/29/04/12/454290412.db2.gz MFIWNEHYTNOALG-UHFFFAOYSA-N 1 0 326.400 3.043 50 0 EGAARO CC(C)c1ccc(S(=O)(=O)[C@@H](C[NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000061997374 454364870 /nfs/dbraw/zinc/36/48/70/454364870.db2.gz QJGSMZSQYUGKTF-IBGZPJMESA-N 1 0 346.496 3.350 50 0 EGAARO Cn1ccnc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091321713 454427797 /nfs/dbraw/zinc/42/77/97/454427797.db2.gz UONFDLVCXGXQTJ-IBGZPJMESA-N 1 0 338.499 3.122 50 0 EGAARO O=C1NCCC[C@@]12CC[N@H+](Cc1ccccc1OC1CCCC1)C2 ZINC000091535382 454444222 /nfs/dbraw/zinc/44/42/22/454444222.db2.gz NSXZJQWWNPNTMN-FQEVSTJZSA-N 1 0 328.456 3.110 50 0 EGAARO O=C(C[C@@H]1CCc2ccccc21)NCC[N@@H+]1CCc2ccccc2C1 ZINC000091547438 454445084 /nfs/dbraw/zinc/44/50/84/454445084.db2.gz YLQSPNKUZJFAMH-IBGZPJMESA-N 1 0 334.463 3.281 50 0 EGAARO O=C1OCC2(CC[NH+](CC3=Cc4cc(Cl)ccc4OC3)CC2)O1 ZINC000097797634 454446321 /nfs/dbraw/zinc/44/63/21/454446321.db2.gz XYAALYUAMLVAII-UHFFFAOYSA-N 1 0 335.787 3.117 50 0 EGAARO COc1cccc(-c2nc3ccccc3n2C)c1OCC[NH+](C)C ZINC000063857090 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CC1CCC(NC(=O)CN2CCC(Oc3ccccc3)CC2)CC1 ZINC000064793798 454505610 /nfs/dbraw/zinc/50/56/10/454505610.db2.gz FSOYRDPLMNULMI-UHFFFAOYSA-N 1 0 330.472 3.225 50 0 EGAARO CSc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065364690 454553839 /nfs/dbraw/zinc/55/38/39/454553839.db2.gz BIESOXBHRXNMQJ-UHFFFAOYSA-N 1 0 341.480 3.413 50 0 EGAARO CCCCOc1c(C[NH2+]Cc2[nH]cc(C)c(=O)c2C)cccc1OC ZINC000065384304 454557892 /nfs/dbraw/zinc/55/78/92/454557892.db2.gz MNUXUPKOCITDOX-UHFFFAOYSA-N 1 0 344.455 3.469 50 0 EGAARO CN(CCc1ccccn1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065534752 454586048 /nfs/dbraw/zinc/58/60/48/454586048.db2.gz FGXUVTOFFFMMJB-UHFFFAOYSA-N 1 0 337.467 3.382 50 0 EGAARO C[N@@H+]1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1CCO ZINC000104454822 454586283 /nfs/dbraw/zinc/58/62/83/454586283.db2.gz HWGPIWBMWMQQJF-MRXNPFEDSA-N 1 0 334.847 3.098 50 0 EGAARO O=C(NCCCc1ccccn1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000178567950 454962375 /nfs/dbraw/zinc/96/23/75/454962375.db2.gz VLTCISGDUPQWEV-HXUWFJFHSA-N 1 0 337.467 3.185 50 0 EGAARO COc1cccc2[nH]c(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc21 ZINC000252522891 455820172 /nfs/dbraw/zinc/82/01/72/455820172.db2.gz BJBIPMBBRIDQLP-KDOFPFPSSA-N 1 0 341.455 3.171 50 0 EGAARO C[C@H]1C[N@H+](C)CCCN1Cc1cnc(SCc2ccccc2)nc1 ZINC000215084254 456026272 /nfs/dbraw/zinc/02/62/72/456026272.db2.gz UTODSWFRCIKIRA-INIZCTEOSA-N 1 0 342.512 3.295 50 0 EGAARO Cc1cccc(N2CCC([NH2+][C@@H]3COCC[C@@H]3OCC3CC3)CC2)c1 ZINC000222430421 456047379 /nfs/dbraw/zinc/04/73/79/456047379.db2.gz HWLZWRDDEXODJK-RTWAWAEBSA-N 1 0 344.499 3.138 50 0 EGAARO Cc1cc[nH+]c(NC[C@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)c1 ZINC000225344163 456078273 /nfs/dbraw/zinc/07/82/73/456078273.db2.gz XLBYFXBYBWCJLY-ZIAGYGMSSA-N 1 0 327.432 3.145 50 0 EGAARO O=C(Nc1ccc(OCc2ccco2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000299769858 456780847 /nfs/dbraw/zinc/78/08/47/456780847.db2.gz NUKGZLSSAMADNN-INIZCTEOSA-N 1 0 341.411 3.171 50 0 EGAARO CC1(C)CC(CC(=O)NCc2cnc3c(c2)CCC3)CC(C)(C)[NH2+]1 ZINC000426395900 457820676 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C[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ccc2ncccc2c1 ZINC000534581028 459335398 /nfs/dbraw/zinc/33/53/98/459335398.db2.gz CNEJVOFPIJSQQT-MRXNPFEDSA-N 1 0 340.471 3.251 50 0 EGAARO Cc1cccc([C@H](C)NC(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000534581113 459335472 /nfs/dbraw/zinc/33/54/72/459335472.db2.gz DLVGACGZHQBDIA-INIZCTEOSA-N 1 0 330.476 3.111 50 0 EGAARO CC(=O)c1cc(C(=O)NC[C@H](c2cccc(C)c2)[NH+](C)C)cs1 ZINC000534584221 459335862 /nfs/dbraw/zinc/33/58/62/459335862.db2.gz HRSXICHVPWFJGL-MRXNPFEDSA-N 1 0 330.453 3.292 50 0 EGAARO COc1ccccc1CN(C(=O)NC[C@H](C)[NH+](C)C)C1CCCC1 ZINC000534655117 459342683 /nfs/dbraw/zinc/34/26/83/459342683.db2.gz MWLPIPXMCDQVNB-HNNXBMFYSA-N 1 0 333.476 3.100 50 0 EGAARO COc1cccc([C@H]2CCN2C(=O)NCC2(C[NH+]3CCCC3)CC2)c1 ZINC000534664706 459344362 /nfs/dbraw/zinc/34/43/62/459344362.db2.gz PJSFHAUFZNFNLM-GOSISDBHSA-N 1 0 343.471 3.028 50 0 EGAARO Cc1oncc1C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575618652 459986416 /nfs/dbraw/zinc/98/64/16/459986416.db2.gz 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CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000952872236 1334584591 /nfs/dbraw/zinc/58/45/91/1334584591.db2.gz LTLAJDVZYAWJAO-SFHVURJKSA-N 1 0 341.434 3.412 50 0 EGAARO O=C(Nc1cccc(-c2c[nH]cn2)c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000952973413 1334627500 /nfs/dbraw/zinc/62/75/00/1334627500.db2.gz SVRUQYMYRMIKFW-MRXNPFEDSA-N 1 0 347.422 3.327 50 0 EGAARO Cc1cncc(C(=O)NCC2CCN(c3cc(C)[nH+]c(C)c3)CC2)c1 ZINC000952974049 1334627788 /nfs/dbraw/zinc/62/77/88/1334627788.db2.gz ZICXNGTVYNZYFA-UHFFFAOYSA-N 1 0 338.455 3.048 50 0 EGAARO O=C(N1CCO[C@@H](c2ccc(F)cc2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000952978838 1334629189 /nfs/dbraw/zinc/62/91/89/1334629189.db2.gz CEPPJGAJBREIMY-GOSISDBHSA-N 1 0 346.446 3.134 50 0 EGAARO C[N@H+](CC(=O)Nc1ccccc1OC[C@@H]1CCCO1)C1CCCC1 ZINC000952990277 1334632314 /nfs/dbraw/zinc/63/23/14/1334632314.db2.gz HSMUSVCDMZJCPX-INIZCTEOSA-N 1 0 332.444 3.057 50 0 EGAARO CC[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3ccc(F)c(OC)c3F)C[C@@H]21 ZINC001704339656 1416449023 /nfs/dbraw/zinc/44/90/23/1416449023.db2.gz VIYBWAULDSFAGD-UVBSCNOISA-N 1 0 325.399 3.346 50 0 EGAARO CC(C)COc1cccc(C[N@H+](C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 ZINC001704340861 1416449103 /nfs/dbraw/zinc/44/91/03/1416449103.db2.gz VUDPUBCAWOAYBZ-CEXWTWQISA-N 1 0 344.499 3.410 50 0 EGAARO COc1c[nH]c(C[NH+]2CCC(Sc3cccc(C)c3)CC2)cc1=O ZINC001704353021 1416453740 /nfs/dbraw/zinc/45/37/40/1416453740.db2.gz INDGHJHLNATGKK-UHFFFAOYSA-N 1 0 344.480 3.449 50 0 EGAARO CC(C)=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2cn(C)nc2C)CC1 ZINC001772816567 1441417652 /nfs/dbraw/zinc/41/76/52/1441417652.db2.gz VFYCNHCCZOXSQE-INIZCTEOSA-N 1 0 332.492 3.011 50 0 EGAARO C[C@@H](CCC(=O)N1CCC(c2cc[nH]c(=O)c2)CC1)[NH+]1CCCCC1 ZINC001772814514 1441417660 /nfs/dbraw/zinc/41/76/60/1441417660.db2.gz DBJNZCDCMLHUEG-INIZCTEOSA-N 1 0 345.487 3.148 50 0 EGAARO O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCC[N@@H+]2CCC[C@@H]12 ZINC001772818763 1441417673 /nfs/dbraw/zinc/41/76/73/1441417673.db2.gz YDBBZSVZMHNFCO-IRXDYDNUSA-N 1 0 341.480 3.096 50 0 EGAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000097674270 219045617 /nfs/dbraw/zinc/04/56/17/219045617.db2.gz HZAIDZUBIZMBMB-OCCSQVGLSA-N 1 0 331.847 3.230 50 0 EGAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2[nH]nc3c2CCCCC3)cc1 ZINC000055327542 214307657 /nfs/dbraw/zinc/30/76/57/214307657.db2.gz ZOQCVHDFBWECMQ-UHFFFAOYSA-N 1 0 339.418 3.498 50 0 EGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2ccccc2oc1=O ZINC000004334883 210172893 /nfs/dbraw/zinc/17/28/93/210172893.db2.gz RSECRXHUBSWNPG-DOTOQJQBSA-N 1 0 341.407 3.214 50 0 EGAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cn(C)c2ccccc21 ZINC000003878735 210082391 /nfs/dbraw/zinc/08/23/91/210082391.db2.gz XRELHRCAOMWUDP-GPMSIDNRSA-N 1 0 329.464 3.470 50 0 EGAARO C1=C[C@H]2C[C@@H]1C[C@H]2CCNc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000067541877 215159448 /nfs/dbraw/zinc/15/94/48/215159448.db2.gz CGALOKUOEZCIRZ-OWCLPIDISA-N 1 0 347.466 3.199 50 0 EGAARO CCn1nc(C)c([C@@H](C)Nc2cc(C3CC[NH2+]CC3)nc(C)n2)c1C ZINC000067674076 215179512 /nfs/dbraw/zinc/17/95/12/215179512.db2.gz QYTSWYZUDQKVQP-GFCCVEGCSA-N 1 0 342.491 3.258 50 0 EGAARO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067784824 215211053 /nfs/dbraw/zinc/21/10/53/215211053.db2.gz UUOWTNHAKMTTNO-ZWKOTPCHSA-N 1 0 343.398 3.213 50 0 EGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)c1ccc2cc[nH]c2c1 ZINC000067851019 215232081 /nfs/dbraw/zinc/23/20/81/215232081.db2.gz VHPWEHZIDDRIKG-HNNXBMFYSA-N 1 0 337.423 3.403 50 0 EGAARO Cc1cc(C)n(C[C@H](C)[NH2+]CC2(c3cccc(F)c3)CCOCC2)n1 ZINC000067869018 215235954 /nfs/dbraw/zinc/23/59/54/215235954.db2.gz JFPFENCUSIZSIG-INIZCTEOSA-N 1 0 345.462 3.366 50 0 EGAARO Cc1noc(C)c1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000067934832 215253516 /nfs/dbraw/zinc/25/35/16/215253516.db2.gz HNKCCBZBBWGOQF-AWEZNQCLSA-N 1 0 346.406 3.074 50 0 EGAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c(C)c1C ZINC000039543745 213239850 /nfs/dbraw/zinc/23/98/50/213239850.db2.gz YSCOMDWJVGMPPY-HXUWFJFHSA-N 1 0 346.515 3.123 50 0 EGAARO Cc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)s1 ZINC000039508480 213238061 /nfs/dbraw/zinc/23/80/61/213238061.db2.gz KQHMPKJXLOTSIT-LJQANCHMSA-N 1 0 344.524 3.168 50 0 EGAARO CCNC(=O)C[N@@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153701 216042701 /nfs/dbraw/zinc/04/27/01/216042701.db2.gz BTLWXAXUJOAKDD-OAHLLOKOSA-N 1 0 342.405 3.486 50 0 EGAARO CCC1(CC)CN(C(=O)c2ccc(C[C@@H]3CCC[NH2+]C3)cc2)CCO1 ZINC000072158661 216048275 /nfs/dbraw/zinc/04/82/75/216048275.db2.gz ROLUIQHKTWYCJH-SFHVURJKSA-N 1 0 344.499 3.260 50 0 EGAARO COc1ccc(C2(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)CCCC2)cc1 ZINC000072164049 216052852 /nfs/dbraw/zinc/05/28/52/216052852.db2.gz JVSBAPBCGYAMPT-GOSISDBHSA-N 1 0 344.499 3.450 50 0 EGAARO c1cn(CCCCc2ccccc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072411413 216203841 /nfs/dbraw/zinc/20/38/41/216203841.db2.gz PCQGUMNDRIKPGP-UHFFFAOYSA-N 1 0 335.455 3.263 50 0 EGAARO CCn1cc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1 ZINC000072430208 216222459 /nfs/dbraw/zinc/22/24/59/216222459.db2.gz WDXYKHMAOMBFCZ-UHFFFAOYSA-N 1 0 342.531 3.298 50 0 EGAARO Cc1cnn(CCC(=O)N(C)CC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000072432214 216226045 /nfs/dbraw/zinc/22/60/45/216226045.db2.gz RNYJEQCZDJJVOR-UHFFFAOYSA-N 1 0 346.519 3.229 50 0 EGAARO CC(C)=CCC[N@@H+]1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072440796 216234941 /nfs/dbraw/zinc/23/49/41/216234941.db2.gz SIRYFJGOHCQXJH-SFHVURJKSA-N 1 0 344.503 3.157 50 0 EGAARO CC(C)(O)CCc1cccc(C(=O)NC2(C[NH+]3CCCCC3)CC2)c1 ZINC000072454212 216241103 /nfs/dbraw/zinc/24/11/03/216241103.db2.gz FJTXLIXHVXZULF-UHFFFAOYSA-N 1 0 344.499 3.138 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)NC2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000073033680 216341381 /nfs/dbraw/zinc/34/13/81/216341381.db2.gz HBNRAUAKSXXOBO-UHFFFAOYSA-N 1 0 347.478 3.031 50 0 EGAARO Cn1cc([C@H](CNC(=O)c2ccccc2F)[NH+](C)C)c2ccccc21 ZINC000023239665 212362203 /nfs/dbraw/zinc/36/22/03/212362203.db2.gz JQVLKEZGKNEHKX-IBGZPJMESA-N 1 0 339.414 3.350 50 0 EGAARO O=C1OCC2(CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)O1 ZINC000215017727 241102021 /nfs/dbraw/zinc/10/20/21/241102021.db2.gz WVCHDAXXEIVGNF-UHFFFAOYSA-N 1 0 331.416 3.026 50 0 EGAARO COc1ccc(-c2ncc(CN(C)Cc3ncccc3C)cn2)cc1 ZINC000215893669 241152921 /nfs/dbraw/zinc/15/29/21/241152921.db2.gz IXPUUUICKKNPCL-UHFFFAOYSA-N 1 0 334.423 3.488 50 0 EGAARO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](C)CCCc2nccn2C)c1 ZINC000216532950 241200748 /nfs/dbraw/zinc/20/07/48/241200748.db2.gz DNFJPXBKQRPSIY-UHFFFAOYSA-N 1 0 337.471 3.287 50 0 EGAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1cnc(NCc2ccccc2)nc1 ZINC000215541658 241132644 /nfs/dbraw/zinc/13/26/44/241132644.db2.gz KRRZMKDKTVRGSD-IBGZPJMESA-N 1 0 340.471 3.480 50 0 EGAARO CN(C)[C@@H](C(=O)NCCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000219326948 241380619 /nfs/dbraw/zinc/38/06/19/241380619.db2.gz YLQPEMSTSXVIQW-LJQANCHMSA-N 1 0 349.494 3.201 50 0 EGAARO Nc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000244701251 243060409 /nfs/dbraw/zinc/06/04/09/243060409.db2.gz KCYHVRUZTXNQIN-GOSISDBHSA-N 1 0 338.455 3.011 50 0 EGAARO Cc1ccsc1[C@H](CNC(=O)Cc1nc(C)sc1C)[NH+](C)C ZINC000244708284 243062056 /nfs/dbraw/zinc/06/20/56/243062056.db2.gz KQZSJGXSCKVAFR-AWEZNQCLSA-N 1 0 337.514 3.091 50 0 EGAARO Cc1cccc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N3CCCC3)n2)c1 ZINC000244602092 243043585 /nfs/dbraw/zinc/04/35/85/243043585.db2.gz DXJQEDOOJVQYEV-CALCHBBNSA-N 1 0 337.471 3.202 50 0 EGAARO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000244633446 243047221 /nfs/dbraw/zinc/04/72/21/243047221.db2.gz GDEVIERIBAEGAG-UHFFFAOYSA-N 1 0 335.455 3.387 50 0 EGAARO Cc1nccc(C2CC[NH+](C[C@H]3CC(c4ccccc4)=NO3)CC2)n1 ZINC000244884127 243098584 /nfs/dbraw/zinc/09/85/84/243098584.db2.gz YFWILBNUGXNMGN-GOSISDBHSA-N 1 0 336.439 3.158 50 0 EGAARO OCC[C@@H]1CN(Cc2cc3ccccc3o2)CC[N@@H+]1C1CCCC1 ZINC000020513667 212142601 /nfs/dbraw/zinc/14/26/01/212142601.db2.gz PVDKECYTVXMNLB-GOSISDBHSA-N 1 0 328.456 3.244 50 0 EGAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100366 212100266 /nfs/dbraw/zinc/10/02/66/212100266.db2.gz CYTWZYMPZVEASK-UHFFFAOYSA-N 1 0 343.858 3.263 50 0 EGAARO CC[NH+](CC)CCN(C)Cc1nc(Cc2ccccc2Cl)no1 ZINC000019852186 212076720 /nfs/dbraw/zinc/07/67/20/212076720.db2.gz BABUUNNQWYXMFE-UHFFFAOYSA-N 1 0 336.867 3.087 50 0 EGAARO Clc1cccc(-c2cn(C3CC[NH+](C[C@@H]4CCOC4)CC3)nn2)c1 ZINC000019838796 212073679 /nfs/dbraw/zinc/07/36/79/212073679.db2.gz JEDXGOMPMZDKFX-AWEZNQCLSA-N 1 0 346.862 3.272 50 0 EGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2CCO)cc1 ZINC000019837552 212074425 /nfs/dbraw/zinc/07/44/25/212074425.db2.gz JLJKKWXNYPZAHM-NRFANRHFSA-N 1 0 342.458 3.203 50 0 EGAARO C[C@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H]([NH3+])C[C@]12C ZINC000257355776 244584224 /nfs/dbraw/zinc/58/42/24/244584224.db2.gz CPKSZCHVHHSWHU-DFWJOBRESA-N 1 0 335.532 3.324 50 0 EGAARO Cc1ccc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)s1 ZINC000019781804 212065311 /nfs/dbraw/zinc/06/53/11/212065311.db2.gz RDEMOHPLIHIDJK-IBGZPJMESA-N 1 0 344.524 3.434 50 0 EGAARO c1[nH]nc(-c2ccccc2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019722223 212058581 /nfs/dbraw/zinc/05/85/81/212058581.db2.gz JQVHUCOVOKFURZ-UHFFFAOYSA-N 1 0 332.451 3.395 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000019594916 212050212 /nfs/dbraw/zinc/05/02/12/212050212.db2.gz ZGLGXEOBPJFJKX-QGZVFWFLSA-N 1 0 335.407 3.179 50 0 EGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000017072068 211953633 /nfs/dbraw/zinc/95/36/33/211953633.db2.gz SPBUKKYCEGEMTD-XJKSGUPXSA-N 1 0 346.381 3.035 50 0 EGAARO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)s2)CN1Cc1cccc(F)c1 ZINC000012439453 211381676 /nfs/dbraw/zinc/38/16/76/211381676.db2.gz LNIGVZRDDWIDQA-CYBMUJFWSA-N 1 0 338.835 3.431 50 0 EGAARO C[C@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000012380409 211361728 /nfs/dbraw/zinc/36/17/28/211361728.db2.gz WXTVUOHCJWFNQG-HNNXBMFYSA-N 1 0 334.435 3.070 50 0 EGAARO O=C1N(CC2CCCCC2)CCC[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000012320863 211346471 /nfs/dbraw/zinc/34/64/71/211346471.db2.gz SPJPJTAEGJOEMZ-NRFANRHFSA-N 1 0 341.499 3.476 50 0 EGAARO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1CCCc1ccccc1 ZINC000012098936 211290538 /nfs/dbraw/zinc/29/05/38/211290538.db2.gz RCLQNJPLDHJPJL-HXUWFJFHSA-N 1 0 337.467 3.185 50 0 EGAARO Cc1ccc(OCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012073365 211287039 /nfs/dbraw/zinc/28/70/39/211287039.db2.gz JSVGCRZVMYVPRA-NRFANRHFSA-N 1 0 342.483 3.098 50 0 EGAARO CCOc1ccccc1C[NH2+][C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000011953142 211274432 /nfs/dbraw/zinc/27/44/32/211274432.db2.gz ICQRQKAQPRVDNR-SFHVURJKSA-N 1 0 342.414 3.115 50 0 EGAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2[nH]cnc2C)C1 ZINC000011934712 211272726 /nfs/dbraw/zinc/27/27/26/211272726.db2.gz PKXLKSVQUWHYJE-HXUWFJFHSA-N 1 0 341.455 3.106 50 0 EGAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000011933536 211269726 /nfs/dbraw/zinc/26/97/26/211269726.db2.gz OQNVEHSZXHBBIT-FQEVSTJZSA-N 1 0 346.446 3.059 50 0 EGAARO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000091486864 218013119 /nfs/dbraw/zinc/01/31/19/218013119.db2.gz DXTAINQOXBBSAX-NRFANRHFSA-N 1 0 338.451 3.104 50 0 EGAARO CC1(C)C[N@H+](Cc2cnc(NCc3ccccc3)nc2)CC[C@]1(C)O ZINC000091526191 218018030 /nfs/dbraw/zinc/01/80/30/218018030.db2.gz QNGZIVNWYPXCPA-FQEVSTJZSA-N 1 0 340.471 3.072 50 0 EGAARO COc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)o1 ZINC000011815871 211249268 /nfs/dbraw/zinc/24/92/68/211249268.db2.gz KWACDSFMUGXLFC-KRWDZBQOSA-N 1 0 342.439 3.067 50 0 EGAARO Cc1nn(-c2ccccc2)cc1CN1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000091665606 218044560 /nfs/dbraw/zinc/04/45/60/218044560.db2.gz LFWPFVUBVNLWCF-VQTJNVASSA-N 1 0 326.488 3.199 50 0 EGAARO CCc1nc(C)sc1C[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091737609 218056441 /nfs/dbraw/zinc/05/64/41/218056441.db2.gz YGBJXPONFWKWOY-ACJLOTCBSA-N 1 0 338.517 3.013 50 0 EGAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc1C ZINC000011662815 211229288 /nfs/dbraw/zinc/22/92/88/211229288.db2.gz GGIGBGWCBRNNIY-MRXNPFEDSA-N 1 0 331.456 3.386 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(OCC)c1)C2 ZINC000091876498 218082223 /nfs/dbraw/zinc/08/22/23/218082223.db2.gz ZPVJPCVUSLTXLS-ZWKOTPCHSA-N 1 0 332.488 3.400 50 0 EGAARO C[C@H]1CCC[N@H+](CCn2cc(-c3coc(-c4ccccc4)n3)nn2)C1 ZINC000091974401 218097485 /nfs/dbraw/zinc/09/74/85/218097485.db2.gz NBWKRVCHOYHGJS-HNNXBMFYSA-N 1 0 337.427 3.332 50 0 EGAARO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000092588720 218153049 /nfs/dbraw/zinc/15/30/49/218153049.db2.gz HUMPNELPZMVVIA-LJQANCHMSA-N 1 0 338.451 3.496 50 0 EGAARO c1nnc(C2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)[nH]1 ZINC000093646465 218238606 /nfs/dbraw/zinc/23/86/06/218238606.db2.gz WOXUAWFTXYYPGR-UHFFFAOYSA-N 1 0 349.438 3.158 50 0 EGAARO O=C(NCc1ccc(F)cc1F)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095366047 218298709 /nfs/dbraw/zinc/29/87/09/218298709.db2.gz LTJABVKUEPXGKA-CQSZACIVSA-N 1 0 334.366 3.086 50 0 EGAARO Cc1cccc(C)c1OCCN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095370650 218302643 /nfs/dbraw/zinc/30/26/43/218302643.db2.gz UEFIFNHAKHUPJK-GOSISDBHSA-N 1 0 332.488 3.405 50 0 EGAARO CCCc1cc(CNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)on1 ZINC000095380130 218312542 /nfs/dbraw/zinc/31/25/42/218312542.db2.gz PCSKTSSSQABCMN-INIZCTEOSA-N 1 0 327.428 3.024 50 0 EGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@@H]1c1ccccn1 ZINC000095386060 218318358 /nfs/dbraw/zinc/31/83/58/218318358.db2.gz DKAVUEXBZVULPG-LJQANCHMSA-N 1 0 339.439 3.250 50 0 EGAARO CO[C@]12CC[N@H+](Cc3ncsc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299779568 258088692 /nfs/dbraw/zinc/08/86/92/258088692.db2.gz UPIDXDYIELHFPU-BPQIPLTHSA-N 1 0 336.501 3.390 50 0 EGAARO C[C@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc(OCc2ccco2)cc1 ZINC000299783153 258091332 /nfs/dbraw/zinc/09/13/32/258091332.db2.gz WSAUOJHEQDFOOW-HNNXBMFYSA-N 1 0 343.427 3.417 50 0 EGAARO CSCc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000299784454 258091705 /nfs/dbraw/zinc/09/17/05/258091705.db2.gz TWHLKUYQTVUXPS-CQSZACIVSA-N 1 0 344.480 3.319 50 0 EGAARO CCOC1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CC1 ZINC000299785967 258093099 /nfs/dbraw/zinc/09/30/99/258093099.db2.gz SIGXXSNGCSHLDZ-ZCNNSNEGSA-N 1 0 342.483 3.240 50 0 EGAARO O=c1cc([C@@H]2CCC[N@H+](Cc3cncn3C3CCCCC3)C2)nc[nH]1 ZINC000299787688 258094424 /nfs/dbraw/zinc/09/44/24/258094424.db2.gz ZKIACHCYYBQRLU-OAHLLOKOSA-N 1 0 341.459 3.264 50 0 EGAARO Cc1cc(CC(=O)NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)on1 ZINC000299794252 258099319 /nfs/dbraw/zinc/09/93/19/258099319.db2.gz JOCPVLRARFTFNP-SFHVURJKSA-N 1 0 341.455 3.087 50 0 EGAARO C[C@@H]1C[NH+](C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000020081634 258057094 /nfs/dbraw/zinc/05/70/94/258057094.db2.gz AWWRKBNPEHEIAK-ZIAGYGMSSA-N 1 0 336.863 3.054 50 0 EGAARO OCCOc1ccccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000072161199 258064512 /nfs/dbraw/zinc/06/45/12/258064512.db2.gz BPMBBOOYXRKMNX-UHFFFAOYSA-N 1 0 345.414 3.240 50 0 EGAARO Cc1ccc2nc(N3CCC([N@@H+]4CCC[C@H](O)C4)CC3)cc(C)c2c1 ZINC000055360337 132194999 /nfs/dbraw/zinc/19/49/99/132194999.db2.gz BHBQTGBVARXOGO-SFHVURJKSA-N 1 0 339.483 3.277 50 0 EGAARO CC[C@H](C)[NH2+]C1CCN(c2ccc(CC(=O)N3CCCC3)cc2)CC1 ZINC000011882183 135691383 /nfs/dbraw/zinc/69/13/83/135691383.db2.gz KMVKTHHWFKRADD-KRWDZBQOSA-N 1 0 343.515 3.208 50 0 EGAARO COc1cccc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)c1 ZINC000240662379 274145002 /nfs/dbraw/zinc/14/50/02/274145002.db2.gz PKNFKKOJNHFPGT-GOSISDBHSA-N 1 0 338.451 3.223 50 0 EGAARO C[C@H](C(=O)N1CCCC1)[N@H+](CCCO)Cc1cccc2ccccc21 ZINC000244794551 298011545 /nfs/dbraw/zinc/01/15/45/298011545.db2.gz QOUSSSMXJRAXMJ-QGZVFWFLSA-N 1 0 340.467 3.035 50 0 EGAARO COCC[N@@H+](Cc1ccc(F)cc1)C[C@H]1COc2ccccc2O1 ZINC000240500005 455263738 /nfs/dbraw/zinc/26/37/38/455263738.db2.gz NQNSIYHWXLCAAU-KRWDZBQOSA-N 1 0 331.387 3.114 50 0 EGAARO Cc1ncn(CC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1C ZINC000240228082 455263897 /nfs/dbraw/zinc/26/38/97/455263897.db2.gz KFUGVGMWKINZNH-UHFFFAOYSA-N 1 0 347.846 3.223 50 0 EGAARO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(-c2cccnc2)no1 ZINC000244724669 455275439 /nfs/dbraw/zinc/27/54/39/455275439.db2.gz MYHRTEAKUHYNMQ-UHFFFAOYSA-N 1 0 325.416 3.128 50 0 EGAARO CCC1=NO[C@H](C[NH+]2CCC(COc3ccc(OC)cc3)CC2)C1 ZINC000244734410 455276337 /nfs/dbraw/zinc/27/63/37/455276337.db2.gz NFBITSLIKJDAHI-IBGZPJMESA-N 1 0 332.444 3.341 50 0 EGAARO CSCc1noc(CN2CCC3(C=Cc4ccccc43)CC2)n1 ZINC000244795877 455277049 /nfs/dbraw/zinc/27/70/49/455277049.db2.gz RPAMOUYQRNYRCD-UHFFFAOYSA-N 1 0 327.453 3.493 50 0 EGAARO CCn1c(C)[n+](CC)c2cc(S(=O)(=O)Nc3ccccc3)ccc21 ZINC000000078515 452500716 /nfs/dbraw/zinc/50/07/16/452500716.db2.gz UOHYVSQRIURLCU-UHFFFAOYSA-N 1 0 344.460 3.078 50 0 EGAARO Cc1c(C[N@@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000000217874 452538624 /nfs/dbraw/zinc/53/86/24/452538624.db2.gz BPECTPJPNAYSPH-UHFFFAOYSA-N 1 0 333.435 3.043 50 0 EGAARO Cc1ccc(C)c(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000000255250 452547810 /nfs/dbraw/zinc/54/78/10/452547810.db2.gz KSSTUNFTBLRUEF-UHFFFAOYSA-N 1 0 337.467 3.454 50 0 EGAARO COc1ccc([N+]2=C3CCCCN3C[C@]2(O)c2ccc(F)cc2)cc1 ZINC000000392166 452579714 /nfs/dbraw/zinc/57/97/14/452579714.db2.gz CBTMAPGKLWIZLU-FQEVSTJZSA-N 1 0 341.406 3.095 50 0 EGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000000588156 452630073 /nfs/dbraw/zinc/63/00/73/452630073.db2.gz KRMMJZQXFQVDKA-UHFFFAOYSA-N 1 0 327.403 3.220 50 0 EGAARO CC(C)[NH+](CC[C@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C ZINC000001530618 452666888 /nfs/dbraw/zinc/66/68/88/452666888.db2.gz UVTNFZQICZKOEM-NRFANRHFSA-N 1 0 339.483 3.362 50 0 fda EGAARO CC[NH+](CC)C[C@H](O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000001690589 452674396 /nfs/dbraw/zinc/67/43/96/452674396.db2.gz BAPLEKYKGVNOOK-IBGZPJMESA-N 1 0 341.451 3.064 50 0 EGAARO COc1ccc(CC[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002734977 452718589 /nfs/dbraw/zinc/71/85/89/452718589.db2.gz JCOLFVSTDUIXNW-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 EGAARO COc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2ccc(F)cc2)C1 ZINC000002966222 452736103 /nfs/dbraw/zinc/73/61/03/452736103.db2.gz COWDKAPHSWBSNX-HXUWFJFHSA-N 1 0 341.406 3.095 50 0 EGAARO COc1cc2c(cc1OC)[C@@H]1[N@H+](CC[C@@]1(O)c1ccc(F)cc1)CC2 ZINC000004089745 452793570 /nfs/dbraw/zinc/79/35/70/452793570.db2.gz CHVNLMGGTMLHNX-VQTJNVASSA-N 1 0 343.398 3.034 50 0 biogenic EGAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000005094019 452836435 /nfs/dbraw/zinc/83/64/35/452836435.db2.gz ZKPPVHCDRPSISC-IBGZPJMESA-N 1 0 348.450 3.437 50 0 EGAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccc(C)cc4)cnn32)CC1 ZINC000005246085 452851233 /nfs/dbraw/zinc/85/12/33/452851233.db2.gz ZYJXWGHAZYIXTB-UHFFFAOYSA-N 1 0 335.455 3.155 50 0 EGAARO CC[NH+]1CCN(c2nc3ccccc3c(N3CCC[C@@H](C)C3)n2)CC1 ZINC000006701653 452971632 /nfs/dbraw/zinc/97/16/32/452971632.db2.gz JEAYIPPKYRLYNK-MRXNPFEDSA-N 1 0 339.487 3.008 50 0 EGAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2)CC1 ZINC000006726323 452978390 /nfs/dbraw/zinc/97/83/90/452978390.db2.gz SEARIDCROLOZEX-UHFFFAOYSA-N 1 0 340.265 3.445 50 0 EGAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717440 453225988 /nfs/dbraw/zinc/22/59/88/453225988.db2.gz JDTHWWGQBNZBNM-UHFFFAOYSA-N 1 0 343.471 3.317 50 0 EGAARO COc1cc(Cl)cc(C[NH2+]C[C@H](C)O)c1OCc1ccccc1 ZINC000010474572 453294243 /nfs/dbraw/zinc/29/42/43/453294243.db2.gz WNJOHUIIPZCXJH-ZDUSSCGKSA-N 1 0 335.831 3.398 50 0 EGAARO FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]Cc3cccnc3)C2)nc1 ZINC000012435341 453362806 /nfs/dbraw/zinc/36/28/06/453362806.db2.gz MPMJGEMIOJFBOE-HNNXBMFYSA-N 1 0 336.361 3.254 50 0 EGAARO COc1ccc(F)c(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000012717292 453392574 /nfs/dbraw/zinc/39/25/74/453392574.db2.gz FBEWICNOWISBPM-FQEVSTJZSA-N 1 0 346.446 3.059 50 0 EGAARO CCCNC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012703608 453393069 /nfs/dbraw/zinc/39/30/69/453393069.db2.gz BUGMRUYRRPCDEH-QGZVFWFLSA-N 1 0 335.467 3.132 50 0 EGAARO O=C(NC1CCCC1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013328294 453459101 /nfs/dbraw/zinc/45/91/01/453459101.db2.gz XJMBMBVHGCLMEC-UHFFFAOYSA-N 1 0 331.504 3.225 50 0 EGAARO CCCCCOc1ccc(C(=O)N2CCOC23CC[NH+](C)CC3)cc1 ZINC000013692300 453481801 /nfs/dbraw/zinc/48/18/01/453481801.db2.gz LNUXYFGMSUKWRD-UHFFFAOYSA-N 1 0 346.471 3.150 50 0 EGAARO COc1ccc([C@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020218822 453663064 /nfs/dbraw/zinc/66/30/64/453663064.db2.gz QTUJGFFSRSSKBC-LJQANCHMSA-N 1 0 346.858 3.204 50 0 EGAARO CCn1c(C)cc(O)c([C@H](c2cccnc2)[NH+]2CCC(C)CC2)c1=O ZINC000022697440 453696667 /nfs/dbraw/zinc/69/66/67/453696667.db2.gz HEOYAAYLBSVADQ-IBGZPJMESA-N 1 0 341.455 3.099 50 0 EGAARO Cc1cc(C(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)c(C)o1 ZINC000075149148 453867312 /nfs/dbraw/zinc/86/73/12/453867312.db2.gz DJDQISUETWGOBX-LJQANCHMSA-N 1 0 339.439 3.421 50 0 EGAARO Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nccn4C)C3)n2)cc1 ZINC000082121345 453925501 /nfs/dbraw/zinc/92/55/01/453925501.db2.gz SEPCPKDJZLEYAO-INIZCTEOSA-N 1 0 337.427 3.158 50 0 EGAARO O=C(/C=C/c1ccccc1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473169 454030813 /nfs/dbraw/zinc/03/08/13/454030813.db2.gz USICFCSDGMRYEE-QZEKMECESA-N 1 0 330.497 3.130 50 0 EGAARO O=C(/C=C/c1ccccc1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473167 454030928 /nfs/dbraw/zinc/03/09/28/454030928.db2.gz USICFCSDGMRYEE-BBVFFXRHSA-N 1 0 330.497 3.130 50 0 EGAARO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077323120 454091455 /nfs/dbraw/zinc/09/14/55/454091455.db2.gz JNYNJWRKKNMYAU-CQSZACIVSA-N 1 0 332.469 3.456 50 0 EGAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077355812 454096936 /nfs/dbraw/zinc/09/69/36/454096936.db2.gz HAYUAYAAWQUCNE-INIZCTEOSA-N 1 0 337.427 3.378 50 0 EGAARO CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077470540 454109999 /nfs/dbraw/zinc/10/99/99/454109999.db2.gz WQKWDCIRKNUEIU-OAQYLSRUSA-N 1 0 342.483 3.452 50 0 EGAARO CCCCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077472054 454110123 /nfs/dbraw/zinc/11/01/23/454110123.db2.gz XMAUTWJXCQMFHJ-HXUWFJFHSA-N 1 0 344.503 3.180 50 0 EGAARO COc1c(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)c(C)nn1C ZINC000058307262 454183006 /nfs/dbraw/zinc/18/30/06/454183006.db2.gz NLNQOPZMTRULBQ-CQSZACIVSA-N 1 0 348.878 3.007 50 0 EGAARO Cc1cc(O)cc(C)c1C[N@@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071738902 454211946 /nfs/dbraw/zinc/21/19/46/454211946.db2.gz FCLHLFRPVCIYDG-HXUWFJFHSA-N 1 0 344.499 3.478 50 0 EGAARO COc1ccc(F)c(-c2nc(C[N@H+](C)CCc3cn[nH]c3)c(C)o2)c1 ZINC000071755351 454214838 /nfs/dbraw/zinc/21/48/38/454214838.db2.gz ISZOXZUKZGHLIX-UHFFFAOYSA-N 1 0 344.390 3.195 50 0 EGAARO CC[N@@H+]1CCCC[C@H]1CNc1nccc(-c2ccc(C)nc2C)n1 ZINC000071762381 454215352 /nfs/dbraw/zinc/21/53/52/454215352.db2.gz ARSVLHNQYVWRLQ-INIZCTEOSA-N 1 0 325.460 3.442 50 0 EGAARO CNC(=O)c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000095496794 454221419 /nfs/dbraw/zinc/22/14/19/454221419.db2.gz XFKSJJIILSAVOR-UHFFFAOYSA-N 1 0 338.451 3.132 50 0 EGAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000095524847 454227761 /nfs/dbraw/zinc/22/77/61/454227761.db2.gz RIWOTXIUPGBRBD-CQSZACIVSA-N 1 0 336.863 3.050 50 0 EGAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2cccs2)n[nH]1 ZINC000096125611 454289682 /nfs/dbraw/zinc/28/96/82/454289682.db2.gz KDFCASYVFGRIMK-CZUORRHYSA-N 1 0 344.484 3.133 50 0 EGAARO CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000091269926 454420817 /nfs/dbraw/zinc/42/08/17/454420817.db2.gz UUQIABXPULKQBS-IBGZPJMESA-N 1 0 342.487 3.368 50 0 EGAARO C[C@H](c1cccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1)[NH+]1CCCC1 ZINC000065371536 454555257 /nfs/dbraw/zinc/55/52/57/454555257.db2.gz VBGPYYGWEBNFKP-CYBMUJFWSA-N 1 0 335.407 3.040 50 0 EGAARO CCc1nnc(SCc2nc(C(C)C)nn2-c2cc[nH+]c(C)c2)o1 ZINC000065371919 454555482 /nfs/dbraw/zinc/55/54/82/454555482.db2.gz ZPLHATAHGXHWLL-UHFFFAOYSA-N 1 0 344.444 3.332 50 0 EGAARO COc1ccc(-c2nc(N)nc3c2C[N@H+](C[C@@H]2CC=CCC2)C3)cc1 ZINC000065374846 454556473 /nfs/dbraw/zinc/55/64/73/454556473.db2.gz UBIZFEKSDIEQBP-CQSZACIVSA-N 1 0 336.439 3.406 50 0 EGAARO Cn1cc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000049753745 454559931 /nfs/dbraw/zinc/55/99/31/454559931.db2.gz LFHHDKIEOCJERD-UHFFFAOYSA-N 1 0 327.472 3.146 50 0 EGAARO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cc(Cl)ncc21 ZINC000146563062 454858991 /nfs/dbraw/zinc/85/89/91/454858991.db2.gz MLRDSYVHEMKKPC-UHFFFAOYSA-N 1 0 328.799 3.397 50 0 EGAARO COc1cccc(CCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)c1 ZINC000214949799 456025882 /nfs/dbraw/zinc/02/58/82/456025882.db2.gz FRTZOQISOZBCDV-IBGZPJMESA-N 1 0 338.451 3.135 50 0 EGAARO Cc1cc(N[C@@H]2COCC[C@H]2O)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000223864245 456062314 /nfs/dbraw/zinc/06/23/14/456062314.db2.gz KJEZGQQCXOOIDY-HUUCEWRRSA-N 1 0 326.318 3.124 50 0 EGAARO Clc1ccc(Cn2c[n+](CCCOc3ccccc3)cn2)cc1 ZINC000230519491 456138863 /nfs/dbraw/zinc/13/88/63/456138863.db2.gz QKXWIXUIRKSYSJ-UHFFFAOYSA-N 1 0 328.823 3.341 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588846 456178254 /nfs/dbraw/zinc/17/82/54/456178254.db2.gz 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C[N@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)C2C1 ZINC000017857628 453639519 /nfs/dbraw/zinc/63/95/19/453639519.db2.gz CAJQQZSVKSXMPE-WPNIOXTASA-N 1 0 347.487 3.489 50 0 EGAARO C[NH+]1CCC([C@@]2(O)c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000021299162 453674347 /nfs/dbraw/zinc/67/43/47/453674347.db2.gz HSLLZISLOQPUNP-HXUWFJFHSA-N 1 0 342.870 3.411 50 0 in-vitro EGAARO CCc1ccc([C@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000067334688 453922163 /nfs/dbraw/zinc/92/21/63/453922163.db2.gz SNPOFWGOVJLEGW-OAQYLSRUSA-N 1 0 340.467 3.113 50 0 EGAARO CC(C)(NCc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000035622728 453924381 /nfs/dbraw/zinc/92/43/81/453924381.db2.gz IDBCXADIRXNHBZ-UHFFFAOYSA-N 1 0 327.819 3.341 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CCc2cccs2)CC1 ZINC000082107617 453924800 /nfs/dbraw/zinc/92/48/00/453924800.db2.gz XFEFHVAPQFUFOC-UHFFFAOYSA-N 1 0 329.469 3.123 50 0 EGAARO O=C1N(CCCc2ccccc2)c2ccccc2NC12CC[NH2+]CC2 ZINC000077341134 454093954 /nfs/dbraw/zinc/09/39/54/454093954.db2.gz 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/nfs/dbraw/zinc/18/59/90/454185990.db2.gz KBTLXLAFOLYPNY-ONEGZZNKSA-N 1 0 327.453 3.189 50 0 EGAARO CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccc(Br)cc2)C1 ZINC000071335302 454204959 /nfs/dbraw/zinc/20/49/59/454204959.db2.gz XFFNVMFRFQJEGT-UHFFFAOYSA-N 1 0 341.249 3.158 50 0 EGAARO COC[C@@H]1CCN(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000095503158 454222564 /nfs/dbraw/zinc/22/25/64/454222564.db2.gz JQCDGSACDVOIJW-QGZVFWFLSA-N 1 0 331.460 3.173 50 0 EGAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3cscn3)C2)cc[nH+]1 ZINC000095528435 454229048 /nfs/dbraw/zinc/22/90/48/454229048.db2.gz XZXNWBUWJYDDKA-HNNXBMFYSA-N 1 0 339.468 3.475 50 0 EGAARO Cc1nc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)cs1 ZINC000096138456 454291781 /nfs/dbraw/zinc/29/17/81/454291781.db2.gz MSJPSERUUGQBSE-HNNXBMFYSA-N 1 0 329.469 3.012 50 0 EGAARO CCCOc1ccc(Cl)cc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000096164412 454297000 /nfs/dbraw/zinc/29/70/00/454297000.db2.gz WMNOWXBKAFJJGH-HNNXBMFYSA-N 1 0 336.863 3.135 50 0 EGAARO Cc1[nH]c2c(cccc2C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000096166720 454297268 /nfs/dbraw/zinc/29/72/68/454297268.db2.gz FFATUVYNJOQZPL-ZDUSSCGKSA-N 1 0 325.456 3.484 50 0 EGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000097088494 454404171 /nfs/dbraw/zinc/40/41/71/454404171.db2.gz SWOAXVSWPSGCJA-UHFFFAOYSA-N 1 0 345.874 3.447 50 0 EGAARO COc1cccc(N2CC[NH+](C[C@@H](O)c3cc(C)ccc3C)CC2)c1 ZINC000065255290 454545603 /nfs/dbraw/zinc/54/56/03/454545603.db2.gz SALGTSUYJZBCIR-OAQYLSRUSA-N 1 0 340.467 3.168 50 0 EGAARO CC[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(c2ccncc2)CC1 ZINC000065375169 454555820 /nfs/dbraw/zinc/55/58/20/454555820.db2.gz VHSAITZOGGWRCV-LJQANCHMSA-N 1 0 329.488 3.489 50 0 EGAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cccc3c2OCO3)C[C@H]1O ZINC000065381397 454556751 /nfs/dbraw/zinc/55/67/51/454556751.db2.gz LVFSFUNNCRWNDB-HUUCEWRRSA-N 1 0 331.437 3.136 50 0 EGAARO Cc1cc(-n2nc(C(C)C)nc2CCn2cc(Cl)cn2)cc[nH+]1 ZINC000065388165 454557818 /nfs/dbraw/zinc/55/78/18/454557818.db2.gz DBXSOVBBGVZTNN-UHFFFAOYSA-N 1 0 330.823 3.187 50 0 EGAARO Cn1ccnc1C[N@@H+]1CC[C@@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065382382 454558007 /nfs/dbraw/zinc/55/80/07/454558007.db2.gz DDWPQFWGQGYOFY-QGZVFWFLSA-N 1 0 334.423 3.177 50 0 EGAARO OCc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)o1 ZINC000065404672 454559907 /nfs/dbraw/zinc/55/99/07/454559907.db2.gz QDBDBNIRMPUGLQ-HNNXBMFYSA-N 1 0 339.395 3.202 50 0 EGAARO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2cnn(C)c2C2CC2)C[C@H]1O ZINC000065407377 454561327 /nfs/dbraw/zinc/56/13/27/454561327.db2.gz GVIHJCKVOJXURW-HZPDHXFCSA-N 1 0 331.485 3.018 50 0 EGAARO CCn1nccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000065451721 454569008 /nfs/dbraw/zinc/56/90/08/454569008.db2.gz WOAARTMJGWRWPE-OAHLLOKOSA-N 1 0 326.444 3.387 50 0 EGAARO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613498 454942111 /nfs/dbraw/zinc/94/21/11/454942111.db2.gz NMAOABNYFXQXKE-YJBOKZPZSA-N 1 0 325.456 3.173 50 0 EGAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCOC2(CCCC2)C1 ZINC000269011091 455762308 /nfs/dbraw/zinc/76/23/08/455762308.db2.gz MVDNAUODIMFJAG-UHFFFAOYSA-N 1 0 328.456 3.068 50 0 EGAARO Cc1nc2c(s1)CCC[C@@H]2NC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000222667630 456049904 /nfs/dbraw/zinc/04/99/04/456049904.db2.gz FVGDJINUDVYLHE-AWEZNQCLSA-N 1 0 333.501 3.354 50 0 EGAARO CCCn1ncnc1[C@H](C)NC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000223696175 456059818 /nfs/dbraw/zinc/05/98/18/456059818.db2.gz YRFHLAPTAHNFRA-INIZCTEOSA-N 1 0 347.507 3.054 50 0 EGAARO O=C(NC1CCCCC1)C1(CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000299803975 456782986 /nfs/dbraw/zinc/78/29/86/456782986.db2.gz OHZPLDGVUYEVJR-UHFFFAOYSA-N 1 0 344.499 3.100 50 0 EGAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-c3ccncc3F)cc1)C2 ZINC000426433660 457830226 /nfs/dbraw/zinc/83/02/26/457830226.db2.gz NEVNUQBWEKXVCN-DLBZAZTESA-N 1 0 339.414 3.196 50 0 EGAARO CN(Cc1cccs1)C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000426521480 457847617 /nfs/dbraw/zinc/84/76/17/457847617.db2.gz QVRXITDYGOKBKI-QGZVFWFLSA-N 1 0 343.496 3.379 50 0 EGAARO O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](CC2CCCC2)CC1 ZINC000426512396 457847737 /nfs/dbraw/zinc/84/77/37/457847737.db2.gz YZRFSRLAKMHYJB-RBUKOAKNSA-N 1 0 327.472 3.060 50 0 EGAARO CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ccc(-c2ccc(N)nc2)cc1 ZINC000426531592 457850682 /nfs/dbraw/zinc/85/06/82/457850682.db2.gz LSYDLKUGZDPIPJ-UHFFFAOYSA-N 1 0 347.422 3.034 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cccnc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426549191 457853132 /nfs/dbraw/zinc/85/31/32/457853132.db2.gz QUNUHUYZBNHZST-CMKODMSKSA-N 1 0 339.439 3.068 50 0 EGAARO Cc1cnccc1-c1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000426698468 457879444 /nfs/dbraw/zinc/87/94/44/457879444.db2.gz RTCKKDKRVMJZNG-UHFFFAOYSA-N 1 0 325.456 3.375 50 0 EGAARO Cc1cccc(N2CCC([NH2+]Cc3[nH]cc(C)c(=O)c3C)CC2)c1 ZINC000534645402 459341795 /nfs/dbraw/zinc/34/17/95/459341795.db2.gz QLLDNVHJFBUIRC-UHFFFAOYSA-N 1 0 325.456 3.059 50 0 EGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)NCCc1ccccc1 ZINC000524729286 459384898 /nfs/dbraw/zinc/38/48/98/459384898.db2.gz MNIWRRCNHPESAP-RBUKOAKNSA-N 1 0 329.488 3.135 50 0 biogenic EGAARO CCCC[NH+]1CCN(C(=O)NC2(c3cc(F)ccc3F)CC2)CC1 ZINC000584894210 459819922 /nfs/dbraw/zinc/81/99/22/459819922.db2.gz UBFMOMYQQIOKQN-UHFFFAOYSA-N 1 0 337.414 3.081 50 0 EGAARO CC1(C)C[C@H](C[NH+]2CCC(c3nnc4ccccn43)CC2)CCO1 ZINC000215275709 535367039 /nfs/dbraw/zinc/36/70/39/535367039.db2.gz WJBVGARJVXQYKM-OAHLLOKOSA-N 1 0 328.460 3.114 50 0 EGAARO C[C@@H](C(=O)NCCc1noc(C2CCCC2)n1)[N@H+](C)C1CCCCC1 ZINC000219043917 547241536 /nfs/dbraw/zinc/24/15/36/547241536.db2.gz NZCHOAHODHIVMZ-AWEZNQCLSA-N 1 0 348.491 3.039 50 0 EGAARO COc1ccc(OCC2CC[NH+](Cc3ccc(CO)o3)CC2)cc1 ZINC000670439062 548215652 /nfs/dbraw/zinc/21/56/52/548215652.db2.gz QVVYJSWGAWZJLU-UHFFFAOYSA-N 1 0 331.412 3.072 50 0 EGAARO c1nc(CC2CC[NH+](Cc3ccccc3)CC2)n(-c2ccncc2)n1 ZINC000670444628 548215765 /nfs/dbraw/zinc/21/57/65/548215765.db2.gz GKBOOGLQDDBEBI-UHFFFAOYSA-N 1 0 333.439 3.117 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc1F ZINC000011715600 1291128491 /nfs/dbraw/zinc/12/84/91/1291128491.db2.gz SRMQZSZMFPPVHL-FQEVSTJZSA-N 1 0 346.446 3.059 50 0 EGAARO COCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000012331768 1291131641 /nfs/dbraw/zinc/13/16/41/1291131641.db2.gz AWNOTLPQHBCQQV-HXUWFJFHSA-N 1 0 340.467 3.347 50 0 EGAARO CCCC[NH2+][C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2CC(C)C)C1 ZINC000014539052 1291141451 /nfs/dbraw/zinc/14/14/51/1291141451.db2.gz UVBNRTSWKZSCRG-MRXNPFEDSA-N 1 0 346.519 3.022 50 0 EGAARO Cc1cc(C)c(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C ZINC000023153501 1291231242 /nfs/dbraw/zinc/23/12/42/1291231242.db2.gz VKURACVBYLDPHM-GOSISDBHSA-N 1 0 340.471 3.113 50 0 EGAARO CC[NH+](CC)[C@H]1CCc2c(c(C(=O)NC)nn2CC2CCCCC2)C1 ZINC000023214607 1291232365 /nfs/dbraw/zinc/23/23/65/1291232365.db2.gz LOLVJJBIMQZZJH-INIZCTEOSA-N 1 0 346.519 3.022 50 0 EGAARO O=C(Nc1ccc2c(c1)OCCO2)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023337501 1291235295 /nfs/dbraw/zinc/23/52/95/1291235295.db2.gz HBDUTSZQFJLTNZ-GFCCVEGCSA-N 1 0 330.409 3.196 50 0 EGAARO c1csc(C[N@@H+]2CCCN([C@H]3COc4ccccc4C3)CC2)c1 ZINC000039489946 1291404971 /nfs/dbraw/zinc/40/49/71/1291404971.db2.gz MHOMHNFZFAZBAX-QGZVFWFLSA-N 1 0 328.481 3.260 50 0 EGAARO C[N@@H+]1CCC[C@@H]1CCn1ccnc1-c1cc2ccc(F)cc2[nH]c1=O ZINC000071712216 1292268402 /nfs/dbraw/zinc/26/84/02/1292268402.db2.gz FRKFOAPSECBAQT-OAHLLOKOSA-N 1 0 340.402 3.015 50 0 EGAARO Cc1ncn(CCNC(=O)c2ccc(N3CCCC3)c(Cl)c2)c1C ZINC000828152489 1292436839 /nfs/dbraw/zinc/43/68/39/1292436839.db2.gz BITNNNNSIRHUQL-UHFFFAOYSA-N 1 0 346.862 3.184 50 0 EGAARO COc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000824815241 1320288172 /nfs/dbraw/zinc/28/81/72/1320288172.db2.gz DPADRZDPFZCQNE-MRXNPFEDSA-N 1 0 344.480 3.080 50 0 EGAARO [NH3+]Cc1ccc(CNC(=O)NCc2csc3c2CCCC3)cc1 ZINC000827458071 1320455140 /nfs/dbraw/zinc/45/51/40/1320455140.db2.gz HFMRRAVIXMDHQY-UHFFFAOYSA-N 1 0 329.469 3.085 50 0 EGAARO CC(C)c1nccn1CCC[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000952860009 1334582716 /nfs/dbraw/zinc/58/27/16/1334582716.db2.gz INACECGLRPHGSZ-UHFFFAOYSA-N 1 0 338.455 3.038 50 0 EGAARO O[C@@H](c1cccs1)C1CC[NH+](C2CSCCSC2)CC1 ZINC000952863775 1334582874 /nfs/dbraw/zinc/58/28/74/1334582874.db2.gz WIABUTPJPOGMSP-OAHLLOKOSA-N 1 0 329.556 3.342 50 0 EGAARO CC(C)C(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]2C3)cc1Cl ZINC000952868925 1334583938 /nfs/dbraw/zinc/58/39/38/1334583938.db2.gz IXZSGNYFDPAYBB-OCCSQVGLSA-N 1 0 349.862 3.357 50 0 EGAARO CCCC(=O)Nc1ccc(NC(=O)C[N@H+](C)C2CCCC2)cc1OC ZINC000952988546 1334631135 /nfs/dbraw/zinc/63/11/35/1334631135.db2.gz QKSKPESUPKOFSI-UHFFFAOYSA-N 1 0 347.459 3.247 50 0 EGAARO COc1ccc2cc(C[N@H+](C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)ccc2c1 ZINC001704298250 1416432964 /nfs/dbraw/zinc/43/29/64/1416432964.db2.gz IFTIHLOKTYYQKX-CEXWTWQISA-N 1 0 338.451 3.195 50 0 EGAARO OC[C@@H](O)C1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC001772712976 1441417318 /nfs/dbraw/zinc/41/73/18/1441417318.db2.gz XHVFGVGVWCVMKF-GOSISDBHSA-N 1 0 325.408 3.151 50 0 EGAARO O=C(c1sccc1Cl)N1CCC[N@@H+]([C@H]2CCSC2)CC1 ZINC001772804265 1441417461 /nfs/dbraw/zinc/41/74/61/1441417461.db2.gz KRHAVFJAVDZYFP-NSHDSACASA-N 1 0 330.906 3.055 50 0 EGAARO Cn1ccc(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)cc1=O ZINC001772811483 1441417522 /nfs/dbraw/zinc/41/75/22/1441417522.db2.gz XJXLZWQZHOZKAT-UHFFFAOYSA-N 1 0 344.430 3.173 50 0 EGAARO CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC([C@H](O)CO)CC2)cc1 ZINC001772812776 1441417613 /nfs/dbraw/zinc/41/76/13/1441417613.db2.gz QJPJYBMWCBIVPI-HXUWFJFHSA-N 1 0 347.499 3.012 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1ccco1)Cc1ccc(OC)c(COC)c1 ZINC000055036217 214264714 /nfs/dbraw/zinc/26/47/14/214264714.db2.gz BEYPXMGFPZYXFR-QGZVFWFLSA-N 1 0 333.428 3.208 50 0 EGAARO Cc1ccc(CN(CC[NH+](C)C)Cc2nn(C)cc2Cl)s1 ZINC000055042713 214267029 /nfs/dbraw/zinc/26/70/29/214267029.db2.gz BGRMKOPCIPVRKZ-UHFFFAOYSA-N 1 0 326.897 3.007 50 0 EGAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]cnc2c1 ZINC000055327671 214307547 /nfs/dbraw/zinc/30/75/47/214307547.db2.gz GCGZJWKLDSTVFN-UHFFFAOYSA-N 1 0 342.468 3.137 50 0 EGAARO COCCN(Cc1sccc1C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000055358353 214311593 /nfs/dbraw/zinc/31/15/93/214311593.db2.gz LXJYCDXFANCEHO-UHFFFAOYSA-N 1 0 338.517 3.152 50 0 EGAARO C[C@H](c1ccc(-c2nc3c(cc2C(N)=O)CCC3)cc1)[NH+]1CCCC1 ZINC000097797530 219057848 /nfs/dbraw/zinc/05/78/48/219057848.db2.gz PZJYFYHNBMFYGZ-CQSZACIVSA-N 1 0 335.451 3.493 50 0 EGAARO NC(=[NH2+])SCc1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000004577072 210225447 /nfs/dbraw/zinc/22/54/47/210225447.db2.gz YACAGPMFYRWGBY-UHFFFAOYSA-N 1 0 344.827 3.166 50 0 EGAARO O=C(c1cccs1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004178307 210139558 /nfs/dbraw/zinc/13/95/58/210139558.db2.gz NBVVNZLNBWSLDL-UHFFFAOYSA-N 1 0 330.497 3.475 50 0 EGAARO C[C@@H](O)C[N@@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067689145 215186174 /nfs/dbraw/zinc/18/61/74/215186174.db2.gz QUWGSVZPNRWJCR-MRXNPFEDSA-N 1 0 347.462 3.329 50 0 EGAARO CC(C)[NH2+]CCOCCOc1ccc(Cl)cc1Br ZINC000003001921 209953161 /nfs/dbraw/zinc/95/31/61/209953161.db2.gz DWTYHQPPDCTNPJ-UHFFFAOYSA-N 1 0 336.657 3.496 50 0 EGAARO Cc1c2ccccc2oc1C[N@H+]1CC[C@@H](CNC(=O)NC(C)C)C1 ZINC000067758308 215205900 /nfs/dbraw/zinc/20/59/00/215205900.db2.gz AIAFUHQLSWKVJT-HNNXBMFYSA-N 1 0 329.444 3.271 50 0 EGAARO Nc1nc(-c2ccc(-c3cccc4c3O[C@@H](C[NH3+])C4)s2)cs1 ZINC000067769734 215207678 /nfs/dbraw/zinc/20/76/78/215207678.db2.gz RAKJGWMERBYQCW-SNVBAGLBSA-N 1 0 329.450 3.383 50 0 EGAARO C[NH+](C)CC(C)(C)NC(=O)c1csc2nc(-c3ccccc3)cn12 ZINC000067790426 215213973 /nfs/dbraw/zinc/21/39/73/215213973.db2.gz GZWAKYXCRXBFBB-UHFFFAOYSA-N 1 0 342.468 3.133 50 0 EGAARO C[C@@H](Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2)c1ccccc1 ZINC000067855206 215233836 /nfs/dbraw/zinc/23/38/36/215233836.db2.gz ALTNMUKARKBKGT-CQSZACIVSA-N 1 0 331.423 3.357 50 0 EGAARO C[N@H+](CCc1ccccn1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067919910 215249823 /nfs/dbraw/zinc/24/98/23/215249823.db2.gz MXBRMIYSNYJNKP-UHFFFAOYSA-N 1 0 343.434 3.466 50 0 EGAARO COc1cc(-c2nc(C[N@@H+]3CCC[C@H]3C)c(C)o2)cc2c1OCO2 ZINC000067973629 215264017 /nfs/dbraw/zinc/26/40/17/215264017.db2.gz HAPXEBVDGZTTNR-LLVKDONJSA-N 1 0 330.384 3.372 50 0 EGAARO C[N@@H+]1CCCN(c2ccc(NC(=O)OCC(F)(F)F)cc2F)CC1 ZINC000039947642 213243749 /nfs/dbraw/zinc/24/37/49/213243749.db2.gz HOUGWGQZKNJAGZ-UHFFFAOYSA-N 1 0 349.328 3.078 50 0 EGAARO COc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038489589 213211554 /nfs/dbraw/zinc/21/15/54/213211554.db2.gz XRZFATGFHHPJEV-UHFFFAOYSA-N 1 0 343.427 3.322 50 0 EGAARO COCC[NH+]1CCC(c2nccn2-c2cccc(Cl)c2F)CC1 ZINC000072133418 216022570 /nfs/dbraw/zinc/02/25/70/216022570.db2.gz FCFCNMFYYVDBTH-UHFFFAOYSA-N 1 0 337.826 3.491 50 0 EGAARO Cc1nc2c(cnn2C)c(NC2(C[NH+]3CCCCC3)CCCCC2)n1 ZINC000072149570 216037230 /nfs/dbraw/zinc/03/72/30/216037230.db2.gz IFIIFWSTYJSJEE-UHFFFAOYSA-N 1 0 342.491 3.272 50 0 EGAARO C[C@@H](c1ccon1)N(C)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072154391 216044345 /nfs/dbraw/zinc/04/43/45/216044345.db2.gz MZJGGTIZXXQHHI-AWEZNQCLSA-N 1 0 327.428 3.050 50 0 EGAARO CCCOC[C@@H]1CCN(C(=O)c2cccc(CC3CC[NH2+]CC3)c2)C1 ZINC000072167375 216056988 /nfs/dbraw/zinc/05/69/88/216056988.db2.gz PGPWRJLGZHRWTM-LJQANCHMSA-N 1 0 344.499 3.117 50 0 EGAARO CCc1cnc(C)nc1N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072422869 216211164 /nfs/dbraw/zinc/21/11/64/216211164.db2.gz FPVWBAAAMBLZAN-LJQANCHMSA-N 1 0 336.483 3.391 50 0 EGAARO CCc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)n2nccc2n1 ZINC000072428324 216218892 /nfs/dbraw/zinc/21/88/92/216218892.db2.gz MUXSFEQZYCBBDH-OAHLLOKOSA-N 1 0 325.416 3.134 50 0 EGAARO CC[C@H](c1cccs1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072436663 216232084 /nfs/dbraw/zinc/23/20/84/216232084.db2.gz OEZAZVOGJOTUEW-OAHLLOKOSA-N 1 0 327.457 3.301 50 0 EGAARO CCN1CC2(CC1=O)CC[NH+](Cc1[nH]c3ccc(F)cc3c1C)CC2 ZINC000072478193 216257103 /nfs/dbraw/zinc/25/71/03/216257103.db2.gz YAXMXODAQWVUDR-UHFFFAOYSA-N 1 0 343.446 3.450 50 0 EGAARO CCOc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC000022920112 212334082 /nfs/dbraw/zinc/33/40/82/212334082.db2.gz BQZALIBEMYYYLA-SFHVURJKSA-N 1 0 334.504 3.000 50 0 EGAARO COc1cc(CN(C)CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000022455398 212298613 /nfs/dbraw/zinc/29/86/13/212298613.db2.gz PVBWMUPYIGJCIR-UHFFFAOYSA-N 1 0 328.456 3.268 50 0 EGAARO CCOc1ccccc1OCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022309707 212288919 /nfs/dbraw/zinc/28/89/19/212288919.db2.gz KSYMQVVONHTKIU-UHFFFAOYSA-N 1 0 340.467 3.282 50 0 EGAARO CCn1ccc2cc(C[NH+]3CCC(c4ccnc(N)n4)CC3)ccc21 ZINC000215102280 241105239 /nfs/dbraw/zinc/10/52/39/241105239.db2.gz VUCLLNDHKNIMQY-UHFFFAOYSA-N 1 0 335.455 3.413 50 0 EGAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3C)C2)no1 ZINC000215776172 241145832 /nfs/dbraw/zinc/14/58/32/241145832.db2.gz CHDDFMXUCDERLX-QGZVFWFLSA-N 1 0 337.427 3.252 50 0 EGAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3C)C2)no1 ZINC000215776122 241147767 /nfs/dbraw/zinc/14/77/67/241147767.db2.gz CHDDFMXUCDERLX-KRWDZBQOSA-N 1 0 337.427 3.252 50 0 EGAARO CCOCc1cc(C[N@@H+]2CCC[C@@H](c3noc(C)n3)C2)ccc1OC ZINC000216083420 241163020 /nfs/dbraw/zinc/16/30/20/241163020.db2.gz JYGUZSSAXVQXFG-MRXNPFEDSA-N 1 0 345.443 3.303 50 0 EGAARO COc1ccc2[nH]c(C[N@H+](C)CCCc3nccn3C)c(C)c2c1 ZINC000215428657 241124789 /nfs/dbraw/zinc/12/47/89/241124789.db2.gz KNVKZYYQUWTFAB-UHFFFAOYSA-N 1 0 326.444 3.283 50 0 EGAARO C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000215498931 241127815 /nfs/dbraw/zinc/12/78/15/241127815.db2.gz AACAPERMIQVGRX-MRXNPFEDSA-N 1 0 325.456 3.391 50 0 EGAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 ZINC000021805610 212251269 /nfs/dbraw/zinc/25/12/69/212251269.db2.gz SSRFITDCJPKMBT-OAHLLOKOSA-N 1 0 341.436 3.436 50 0 EGAARO CCc1ncc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020782075 212171535 /nfs/dbraw/zinc/17/15/35/212171535.db2.gz BBJPWNLUDVYQLE-GOSISDBHSA-N 1 0 342.462 3.275 50 0 EGAARO CN1CC[NH+](CC[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)CC1 ZINC000020590916 212150420 /nfs/dbraw/zinc/15/04/20/212150420.db2.gz LVLQQVJWMCQTMB-NRFANRHFSA-N 1 0 330.516 3.442 50 0 EGAARO CC[NH+]1CCN(Cc2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000020192523 212110083 /nfs/dbraw/zinc/11/00/83/212110083.db2.gz MPITYSRDOKCWRI-UHFFFAOYSA-N 1 0 347.484 3.348 50 0 EGAARO Cc1cccc(OCC(=O)N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000019842068 212075827 /nfs/dbraw/zinc/07/58/27/212075827.db2.gz BLTVJIOUOBVHFJ-WMZOPIPTSA-N 1 0 330.472 3.097 50 0 EGAARO COc1ccc(CN2CC[N@@H+](C3CCCC3)C[C@@H]2CCO)c(C)c1C ZINC000019606957 212051479 /nfs/dbraw/zinc/05/14/79/212051479.db2.gz HMEKYUWZEMWWRH-FQEVSTJZSA-N 1 0 346.515 3.123 50 0 EGAARO COc1cc(C[NH2+][C@@H]2COc3ccccc3C2)cc(Cl)c1OC ZINC000019334881 212017458 /nfs/dbraw/zinc/01/74/58/212017458.db2.gz AIPQPZTZKAHPAL-AWEZNQCLSA-N 1 0 333.815 3.451 50 0 EGAARO COc1cccc([C@@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000049420891 214007024 /nfs/dbraw/zinc/00/70/24/214007024.db2.gz DQNOKUYLQNJXRI-IBGZPJMESA-N 1 0 346.858 3.204 50 0 EGAARO Cc1ccc(O)c([C@@H](CC(=O)NCCC[NH+](C)C)c2ccccc2)c1 ZINC000013726338 211622631 /nfs/dbraw/zinc/62/26/31/211622631.db2.gz LPRBDMGYOQQSJJ-SFHVURJKSA-N 1 0 340.467 3.291 50 0 EGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2cccs2)n[nH]1 ZINC000085879593 217687718 /nfs/dbraw/zinc/68/77/18/217687718.db2.gz KDFCASYVFGRIMK-XJKSGUPXSA-N 1 0 344.484 3.133 50 0 biogenic EGAARO CC(C)[NH+]1CCC(CNS(=O)(=O)c2cccc3ccccc32)CC1 ZINC000012441456 211382918 /nfs/dbraw/zinc/38/29/18/211382918.db2.gz JYIJBGCNHYTRHU-UHFFFAOYSA-N 1 0 346.496 3.239 50 0 EGAARO CCN(Cc1ncc[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012433225 211379340 /nfs/dbraw/zinc/37/93/40/211379340.db2.gz IWDRKADXVDJYPN-SFHVURJKSA-N 1 0 344.478 3.325 50 0 EGAARO CN(Cc1cc[nH]n1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012434346 211379144 /nfs/dbraw/zinc/37/91/44/211379144.db2.gz RTUWFJRRUPXJDW-KRWDZBQOSA-N 1 0 346.906 3.450 50 0 EGAARO CN(Cc1ccccn1)C(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012304666 211340605 /nfs/dbraw/zinc/34/06/05/211340605.db2.gz FZOMDIXSKTZQNV-UHFFFAOYSA-N 1 0 349.478 3.064 50 0 EGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1OC ZINC000012304575 211339059 /nfs/dbraw/zinc/33/90/59/211339059.db2.gz VBYWHUGFIOYQJB-KRWDZBQOSA-N 1 0 340.423 3.194 50 0 EGAARO Cc1cc(C)n(CCC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)n1 ZINC000012075965 211286202 /nfs/dbraw/zinc/28/62/02/211286202.db2.gz OGZRXIVFDAVERV-GOSISDBHSA-N 1 0 346.519 3.193 50 0 EGAARO Cc1c([C@@H](C)[NH2+]CCCn2cccn2)cnn1-c1ccc(F)cc1F ZINC000011999036 211277045 /nfs/dbraw/zinc/27/70/45/211277045.db2.gz XVPARSQLOSQQDW-CYBMUJFWSA-N 1 0 345.397 3.396 50 0 EGAARO Cc1cc(N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)nc(N)[nH+]1 ZINC000091411557 218002393 /nfs/dbraw/zinc/00/23/93/218002393.db2.gz OJHCXGGUDMGXHK-OAHLLOKOSA-N 1 0 332.411 3.314 50 0 EGAARO CN1CC2(CC[NH+](Cc3ccccn3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091693719 218048944 /nfs/dbraw/zinc/04/89/44/218048944.db2.gz YREDDXOMPINMKF-HXUWFJFHSA-N 1 0 349.478 3.310 50 0 EGAARO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)c2ccc(F)cc2n1 ZINC000091820047 218071721 /nfs/dbraw/zinc/07/17/21/218071721.db2.gz PRCIQMNXVMMWLH-MOPGFXCFSA-N 1 0 349.409 3.249 50 0 EGAARO Cc1ccc([C@H]2CN(C(=O)c3csc4c3CCCC4)C[C@@H]2[NH3+])o1 ZINC000091745635 218057202 /nfs/dbraw/zinc/05/72/02/218057202.db2.gz GNIWDKJMACGBJS-ZFWWWQNUSA-N 1 0 330.453 3.095 50 0 EGAARO CCc1cc(C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)cs1 ZINC000091754618 218059738 /nfs/dbraw/zinc/05/97/38/218059738.db2.gz DPSJRPWIDYNUCT-UHFFFAOYSA-N 1 0 329.469 3.366 50 0 EGAARO COCC[C@]1(CO)CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000091872382 218080548 /nfs/dbraw/zinc/08/05/48/218080548.db2.gz JRCSRFNNTJGFPQ-HXUWFJFHSA-N 1 0 347.503 3.135 50 0 EGAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000092065839 218113275 /nfs/dbraw/zinc/11/32/75/218113275.db2.gz SBZJOUKSMLAGKO-LSDHHAIUSA-N 1 0 342.361 3.028 50 0 EGAARO O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[N@@H+]1CCc2ccccc2C1 ZINC000010434716 211172405 /nfs/dbraw/zinc/17/24/05/211172405.db2.gz DPTCMAQAMFSUSH-HUFQKIGGSA-N 1 0 341.495 3.391 50 0 EGAARO CC(C)CC[C@]1(CC(=O)NCC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000009476569 211087805 /nfs/dbraw/zinc/08/78/05/211087805.db2.gz JAKKBZMJWNEQIG-HKUYNNGSSA-N 1 0 326.525 3.312 50 0 EGAARO O=C(NC[C@@H](O)c1cccc(F)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095360036 218293360 /nfs/dbraw/zinc/29/33/60/218293360.db2.gz CHESCJQZHGQQKL-LJQANCHMSA-N 1 0 348.462 3.020 50 0 EGAARO O=C(N[C@H]1CCc2ccccc2C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095357193 218290307 /nfs/dbraw/zinc/29/03/07/218290307.db2.gz APZRLFHVXMWXFA-IBGZPJMESA-N 1 0 338.451 3.165 50 0 EGAARO O=C(N[C@@H]1CCc2ccccc2C1)C1CC[NH+](Cc2ccco2)CC1 ZINC000095357194 218290470 /nfs/dbraw/zinc/29/04/70/218290470.db2.gz APZRLFHVXMWXFA-LJQANCHMSA-N 1 0 338.451 3.165 50 0 EGAARO CCn1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000095370665 218302358 /nfs/dbraw/zinc/30/23/58/218302358.db2.gz DDUFAZDETXLXRI-FXAWDEMLSA-N 1 0 342.462 3.139 50 0 EGAARO CCC[NH+]1CCC(CC(=O)N[C@@H](C)c2nncn2C2CCCC2)CC1 ZINC000095381369 218314020 /nfs/dbraw/zinc/31/40/20/218314020.db2.gz ZZYOZFKCTBKPKM-HNNXBMFYSA-N 1 0 347.507 3.083 50 0 EGAARO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000095381985 218314501 /nfs/dbraw/zinc/31/45/01/218314501.db2.gz HVSYTFWIRCJBSO-DLBZAZTESA-N 1 0 341.480 3.075 50 0 EGAARO C[C@H](O)c1cccc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000095375639 218309116 /nfs/dbraw/zinc/30/91/16/218309116.db2.gz NYJMGNLAYYRMDP-INIZCTEOSA-N 1 0 337.467 3.162 50 0 EGAARO O=C(NCCF)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000095388399 218320312 /nfs/dbraw/zinc/32/03/12/218320312.db2.gz BXRZQARPMGUKAD-UHFFFAOYSA-N 1 0 340.442 3.306 50 0 EGAARO CCn1c(Cn2cccn2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000096138767 218621486 /nfs/dbraw/zinc/62/14/86/218621486.db2.gz SRSGXXQEJVHEFR-UHFFFAOYSA-N 1 0 342.491 3.055 50 0 EGAARO CO[C@]12CC[N@H+](Cc3csc(-c4ccccc4)n3)[C@H]1C[C@H](O)CC2 ZINC000299773533 258085286 /nfs/dbraw/zinc/08/52/86/258085286.db2.gz FDOSWKXANIXUHA-ZIFCJYIRSA-N 1 0 344.480 3.314 50 0 EGAARO CCc1cccc(C)c1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299773618 258085395 /nfs/dbraw/zinc/08/53/95/258085395.db2.gz DUZVXQJSQJVZIY-GOSISDBHSA-N 1 0 345.487 3.322 50 0 EGAARO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1cccc(C)n1 ZINC000299789355 258095858 /nfs/dbraw/zinc/09/58/58/258095858.db2.gz XYPLRMHNVLDUBV-MRXNPFEDSA-N 1 0 327.428 3.460 50 0 EGAARO CCCn1cc(C(=O)N[C@H](CC[NH+](C)C)c2ccccc2)c(C)n1 ZINC000299791008 258096666 /nfs/dbraw/zinc/09/66/66/258096666.db2.gz ZGXSAQJPSYHWFT-GOSISDBHSA-N 1 0 328.460 3.024 50 0 EGAARO CCCn1cc(C(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)c(C)n1 ZINC000299791025 258096800 /nfs/dbraw/zinc/09/68/00/258096800.db2.gz ZGXSAQJPSYHWFT-SFHVURJKSA-N 1 0 328.460 3.024 50 0 EGAARO O=C(NCC1(COc2ccccc2)CC1)C1([NH+]2CCCC2)CCCC1 ZINC000299798351 258102440 /nfs/dbraw/zinc/10/24/40/258102440.db2.gz QWBKGZBEHLVLRF-UHFFFAOYSA-N 1 0 342.483 3.370 50 0 EGAARO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000004552729 258051065 /nfs/dbraw/zinc/05/10/65/258051065.db2.gz PTSONYBTWYKHDA-UHFFFAOYSA-N 1 0 348.487 3.174 50 0 EGAARO C[C@@H](CN1C(=O)CC[C@H]1CC[NH2+]Cc1ccncc1)c1ccccc1 ZINC000299768076 258081937 /nfs/dbraw/zinc/08/19/37/258081937.db2.gz HPSGXTHVEIEWBA-PXNSSMCTSA-N 1 0 337.467 3.356 50 0 EGAARO C[C@@H](CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccncc1)c1ccccc1 ZINC000299768068 258082214 /nfs/dbraw/zinc/08/22/14/258082214.db2.gz HPSGXTHVEIEWBA-FXAWDEMLSA-N 1 0 337.467 3.356 50 0 EGAARO COCc1nc(C2CC([NH3+])C2)cc(N2CCCC3(CCCCC3)C2)n1 ZINC000222989258 285508784 /nfs/dbraw/zinc/50/87/84/285508784.db2.gz WACWHXSUOIQVKU-UHFFFAOYSA-N 1 0 344.503 3.378 50 0 EGAARO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3ccco3)[N@@H+]3CCC[C@@]123 ZINC000012706905 275021355 /nfs/dbraw/zinc/02/13/55/275021355.db2.gz SVNGNTBPUUSQII-JLMWRMLUSA-N 1 0 348.446 3.185 50 0 EGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccco2)N3)C1 ZINC000004556135 276236603 /nfs/dbraw/zinc/23/66/03/276236603.db2.gz XDZYNNMMCPDSAI-GJBLVYBDSA-N 1 0 329.425 3.489 50 0 EGAARO COc1ccc(O)c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1 ZINC000063844492 277917059 /nfs/dbraw/zinc/91/70/59/277917059.db2.gz KGBNZNCWWHYFDH-UHFFFAOYSA-N 1 0 334.460 3.127 50 0 EGAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1cccc2c[nH]nc21 ZINC000096153860 279321901 /nfs/dbraw/zinc/32/19/01/279321901.db2.gz KFJWRJWJSMKTLV-CQSZACIVSA-N 1 0 349.438 3.131 50 0 EGAARO Cc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)c2cc(Cl)ccc2n1 ZINC000091547258 280342289 /nfs/dbraw/zinc/34/22/89/280342289.db2.gz FGKVJQCXZONLOP-UKRRQHHQSA-N 1 0 343.858 3.363 50 0 EGAARO Cc1cc2nc(C(C)C)cc(NC[C@@H](c3ccccn3)[NH+](C)C)n2n1 ZINC000072481146 280704372 /nfs/dbraw/zinc/70/43/72/280704372.db2.gz LAPAXZOLAXRSMM-KRWDZBQOSA-N 1 0 338.459 3.271 50 0 EGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCOc2ccccc2Cl)C1 ZINC000016527056 453610634 /nfs/dbraw/zinc/61/06/34/453610634.db2.gz JZFBWTAJYYSSFX-AWEZNQCLSA-N 1 0 325.836 3.384 50 0 EGAARO Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@](O)(c3ccccc3)C2)c1C ZINC000240163609 455263935 /nfs/dbraw/zinc/26/39/35/455263935.db2.gz JCHPOFGACBGXFO-NRFANRHFSA-N 1 0 338.451 3.226 50 0 EGAARO COc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC000000207752 452537057 /nfs/dbraw/zinc/53/70/57/452537057.db2.gz WPZPVCJGLDFIFY-MRXNPFEDSA-N 1 0 332.488 3.400 50 0 EGAARO COc1cc(OC)cc(C(=O)N2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000000207645 452537287 /nfs/dbraw/zinc/53/72/87/452537287.db2.gz YZDVVIYIBDEQSV-UHFFFAOYSA-N 1 0 346.471 3.040 50 0 EGAARO CCc1ccc(-c2cc(C(F)(F)F)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000002554511 452704912 /nfs/dbraw/zinc/70/49/12/452704912.db2.gz BJGJEAIPWYCBNI-UHFFFAOYSA-N 1 0 336.361 3.134 50 0 EGAARO COc1ccccc1CC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000002768775 452723196 /nfs/dbraw/zinc/72/31/96/452723196.db2.gz GYVDXVQNZJJDOA-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 EGAARO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2cccnc2)CC1 ZINC000004548104 452808084 /nfs/dbraw/zinc/80/80/84/452808084.db2.gz MLBMIGHZGDDDFS-UHFFFAOYSA-N 1 0 343.858 3.263 50 0 EGAARO COc1ccc([C@H]2[C@@H](C[NH+]3CCCC3)C(=O)N2c2ccccc2)cc1 ZINC000005527111 452881133 /nfs/dbraw/zinc/88/11/33/452881133.db2.gz FXMKLPNAYWFQAD-UXHICEINSA-N 1 0 336.435 3.495 50 0 EGAARO C[C@H](NCCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006653219 452964696 /nfs/dbraw/zinc/96/46/96/452964696.db2.gz SIDWBOBMHCUZEA-INIZCTEOSA-N 1 0 341.455 3.347 50 0 EGAARO C[C@@H](NCCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006653222 452965465 /nfs/dbraw/zinc/96/54/65/452965465.db2.gz SIDWBOBMHCUZEA-MRXNPFEDSA-N 1 0 341.455 3.347 50 0 EGAARO CCOC(=O)C1CC[NH+](CCCCOc2ccc(C)cc2OC)CC1 ZINC000006702214 452971824 /nfs/dbraw/zinc/97/18/24/452971824.db2.gz RGZXLZCPMGPBAF-UHFFFAOYSA-N 1 0 349.471 3.438 50 0 EGAARO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccccc1Cl ZINC000008497995 453208389 /nfs/dbraw/zinc/20/83/89/453208389.db2.gz CYEJOEUMFIIDMG-ZDUSSCGKSA-N 1 0 335.831 3.398 50 0 EGAARO CSCCC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000011874952 453336549 /nfs/dbraw/zinc/33/65/49/453336549.db2.gz WNTFEVVCMGVUFK-GOSISDBHSA-N 1 0 334.529 3.153 50 0 EGAARO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)c1 ZINC000012575962 453378638 /nfs/dbraw/zinc/37/86/38/453378638.db2.gz YVNWRDOQNWWERF-GOSISDBHSA-N 1 0 344.499 3.463 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000013691546 453481979 /nfs/dbraw/zinc/48/19/79/453481979.db2.gz ZAUBURQLZARCIU-HNNXBMFYSA-N 1 0 347.459 3.472 50 0 EGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCC(C)C)C2 ZINC000014743763 453543864 /nfs/dbraw/zinc/54/38/64/453543864.db2.gz NMBDUBAVQJPUIV-INIZCTEOSA-N 1 0 346.519 3.022 50 0 EGAARO CC(=O)c1ccc(N2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)nc1 ZINC000015064627 453552737 /nfs/dbraw/zinc/55/27/37/453552737.db2.gz PTTLUKBTJUVVOG-LJQANCHMSA-N 1 0 329.488 3.479 50 0 EGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)CC1 ZINC000015063428 453553325 /nfs/dbraw/zinc/55/33/25/453553325.db2.gz GHEJXCSFUQMTEB-KRWDZBQOSA-N 1 0 349.450 3.323 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](CCc3cccc(F)c3)C2)CC1 ZINC000015071476 453554775 /nfs/dbraw/zinc/55/47/75/453554775.db2.gz QEHZRGZRUBRVSH-GOSISDBHSA-N 1 0 332.463 3.481 50 0 EGAARO Cc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C ZINC000015831652 453586166 /nfs/dbraw/zinc/58/61/66/453586166.db2.gz WAWWGWRRDNRTFU-GOSISDBHSA-N 1 0 342.439 3.229 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCCC2)o1 ZINC000015860173 453587456 /nfs/dbraw/zinc/58/74/56/453587456.db2.gz BBIRCJRJKMHMFV-GOSISDBHSA-N 1 0 342.439 3.310 50 0 EGAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000016213417 453598133 /nfs/dbraw/zinc/59/81/33/453598133.db2.gz IPLAQDHNOPLIEJ-UMVBOHGHSA-N 1 0 342.277 3.452 50 0 EGAARO COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000019235034 453655406 /nfs/dbraw/zinc/65/54/06/453655406.db2.gz BRJYZLXPENBMGI-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 biogenic EGAARO COc1cccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1OC ZINC000019235036 453655662 /nfs/dbraw/zinc/65/56/62/453655662.db2.gz GTFYGFOPWQFHTH-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 biogenic EGAARO O=C(COc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580674 453818946 /nfs/dbraw/zinc/81/89/46/453818946.db2.gz BZLALCKKAHJWIS-QGZVFWFLSA-N 1 0 344.480 3.470 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)[NH+](C)C)cc1 ZINC000028290554 453822974 /nfs/dbraw/zinc/82/29/74/453822974.db2.gz UPNRZKXMRWKVKA-QGZVFWFLSA-N 1 0 346.858 3.446 50 0 EGAARO COc1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCOCC3)C1)CCC2 ZINC000082166244 453927177 /nfs/dbraw/zinc/92/71/77/453927177.db2.gz CNNNOYRKBDDGKQ-GOSISDBHSA-N 1 0 331.456 3.002 50 0 EGAARO Cc1nc(C2CC[NH2+]CC2)cc(N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000067540304 453940763 /nfs/dbraw/zinc/94/07/63/453940763.db2.gz ZFUFDIWODVNXCF-UHFFFAOYSA-N 1 0 347.466 3.296 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1CCn1cnc2c(cccc2C(F)(F)F)c1=O ZINC000043135991 454043148 /nfs/dbraw/zinc/04/31/48/454043148.db2.gz MGNOFUIBXBONHZ-GFCCVEGCSA-N 1 0 339.361 3.290 50 0 EGAARO COc1cc2c(cc1C[NH+]1CCC([C@H](O)CC(C)C)CC1)OCCO2 ZINC000077287983 454086738 /nfs/dbraw/zinc/08/67/38/454086738.db2.gz DKZAIWWTXLATNE-QGZVFWFLSA-N 1 0 349.471 3.085 50 0 EGAARO Cc1cc(C(=O)N(Cc2ccncc2)C2CC[NH+](C)CC2)c(C)o1 ZINC000077298393 454087581 /nfs/dbraw/zinc/08/75/81/454087581.db2.gz QDZYKIFEMWOXFQ-UHFFFAOYSA-N 1 0 327.428 3.028 50 0 EGAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2sccc2C)CC1 ZINC000077298571 454087748 /nfs/dbraw/zinc/08/77/48/454087748.db2.gz WWDQICVXSKNGDR-UHFFFAOYSA-N 1 0 347.532 3.109 50 0 EGAARO Cc1ccc(OC2CCN(C(=O)C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000077374893 454098442 /nfs/dbraw/zinc/09/84/42/454098442.db2.gz KOSPZFIMOFNUHR-KRWDZBQOSA-N 1 0 330.472 3.239 50 0 EGAARO C[NH2+]CC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071498090 454207476 /nfs/dbraw/zinc/20/74/76/454207476.db2.gz WDSGLEDSTPYARK-CQSZACIVSA-N 1 0 328.378 3.096 50 0 EGAARO Cc1c(O)cccc1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071746526 454211621 /nfs/dbraw/zinc/21/16/21/454211621.db2.gz JLFQAYAGTBYVBH-GOSISDBHSA-N 1 0 330.472 3.283 50 0 EGAARO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@H](CO)C3)c(C)o2)c1 ZINC000071755362 454214440 /nfs/dbraw/zinc/21/44/40/454214440.db2.gz ANMQZXUMNAELDW-ZDUSSCGKSA-N 1 0 334.391 3.002 50 0 EGAARO Oc1cccc(-c2nccn2CC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000071757268 454215913 /nfs/dbraw/zinc/21/59/13/454215913.db2.gz GMOJBGIFXRLXGA-UHFFFAOYSA-N 1 0 341.455 3.291 50 0 EGAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@](C)(O)C3)c(C)o2)cc1OC ZINC000071767649 454216927 /nfs/dbraw/zinc/21/69/27/454216927.db2.gz VJUBXLOHMVDTKC-LJQANCHMSA-N 1 0 346.427 3.014 50 0 EGAARO CC(C)(C)n1nc(-c2cccnc2)nc1CC[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000095504479 454223752 /nfs/dbraw/zinc/22/37/52/454223752.db2.gz NWSIRTMPVSIARN-ZBFHGGJFSA-N 1 0 325.460 3.122 50 0 EGAARO C[NH+]1CCC2(CC(=O)N(Cc3cc(F)ccc3C(F)(F)F)C2)CC1 ZINC000095508038 454224340 /nfs/dbraw/zinc/22/43/40/454224340.db2.gz JYDOMPKIDJIKCZ-UHFFFAOYSA-N 1 0 344.352 3.289 50 0 EGAARO CCOCc1nc(-c2csc(C(C)=O)c2)n(C2CC[NH+](C)CC2)n1 ZINC000095510322 454224789 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O=C(NCc1ccco1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064609561 454493784 /nfs/dbraw/zinc/49/37/84/454493784.db2.gz VWYMYMRXJIXVCD-AWEZNQCLSA-N 1 0 333.457 3.053 50 0 EGAARO C[N@H+](Cc1cccn1-c1ncccn1)Cc1cccc2cnccc21 ZINC000065370735 454554696 /nfs/dbraw/zinc/55/46/96/454554696.db2.gz NYVNYZMUPSOVFC-UHFFFAOYSA-N 1 0 329.407 3.448 50 0 EGAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC000065385642 454557517 /nfs/dbraw/zinc/55/75/17/454557517.db2.gz IZJZHDCNTRRNAU-UKRRQHHQSA-N 1 0 345.493 3.412 50 0 EGAARO CSc1cccc(CNc2nc(C)nc3c2CC[N@H+](C)CC3)c1 ZINC000065396677 454558577 /nfs/dbraw/zinc/55/85/77/454558577.db2.gz DITRQUCHJVFAIF-UHFFFAOYSA-N 1 0 328.485 3.149 50 0 EGAARO Cc1cc(-n2nc(C(C)C)nc2COC[C@H]2CCCCO2)cc[nH+]1 ZINC000065468111 454572833 /nfs/dbraw/zinc/57/28/33/454572833.db2.gz CUYXJVDADKNNOK-MRXNPFEDSA-N 1 0 330.432 3.180 50 0 EGAARO C[N@@H+](Cc1cccnc1)C[C@H]1CC[C@@H](Cc2ccc3c(c2)OCO3)O1 ZINC000065528529 454584922 /nfs/dbraw/zinc/58/49/22/454584922.db2.gz 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Cc1ccccc1CC[C@H]1CCC[N@@H+](CC(=O)Nc2cnn(C)c2)C1 ZINC000072146566 216033565 /nfs/dbraw/zinc/03/35/65/216033565.db2.gz BERIQFHQESTHOI-QGZVFWFLSA-N 1 0 340.471 3.012 50 0 EGAARO CCc1ccc2occ(CC(=O)N3CCC[C@@H]([NH+](C)C)CC3)c2c1 ZINC000072148396 216035014 /nfs/dbraw/zinc/03/50/14/216035014.db2.gz JSXCCHOYQBLVHF-QGZVFWFLSA-N 1 0 328.456 3.480 50 0 EGAARO CCNC(=O)C[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153702 216042138 /nfs/dbraw/zinc/04/21/38/216042138.db2.gz BTLWXAXUJOAKDD-HNNXBMFYSA-N 1 0 342.405 3.486 50 0 EGAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000072161717 216050106 /nfs/dbraw/zinc/05/01/06/216050106.db2.gz VFLBRFONRWCDIT-UHFFFAOYSA-N 1 0 337.467 3.270 50 0 EGAARO c1ccc(SCC[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)cc1 ZINC000072153917 216042798 /nfs/dbraw/zinc/04/27/98/216042798.db2.gz ISGZOAKKCKVGHK-GOSISDBHSA-N 1 0 334.529 3.356 50 0 EGAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072154785 216044627 /nfs/dbraw/zinc/04/46/27/216044627.db2.gz ODDWVOHAJOKYDR-CYBMUJFWSA-N 1 0 329.362 3.025 50 0 EGAARO Cc1cc(C)cc(CSCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000072156734 216045398 /nfs/dbraw/zinc/04/53/98/216045398.db2.gz DXJAAYGICZOMHS-GOSISDBHSA-N 1 0 334.529 3.479 50 0 EGAARO O=C(c1ccccc1)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072165751 216054801 /nfs/dbraw/zinc/05/48/01/216054801.db2.gz FQSOQPSGTLIMBD-NJDAHSKKSA-N 1 0 332.447 3.389 50 0 EGAARO Fc1cc(F)cc([C@@H]2CN(c3nccs3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072162734 216051481 /nfs/dbraw/zinc/05/14/81/216051481.db2.gz FVURTNCEQVGVRV-GVDBMIGSSA-N 1 0 347.434 3.488 50 0 EGAARO C[N@H+](Cc1cnc(N2CCOCC2)s1)[C@H]1CCCc2ccccc21 ZINC000072168208 216059573 /nfs/dbraw/zinc/05/95/73/216059573.db2.gz FBYCFCSZNQVMAM-SFHVURJKSA-N 1 0 343.496 3.489 50 0 EGAARO C[C@H](C1CCN(Cc2ccc(F)c(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000072421356 216208908 /nfs/dbraw/zinc/20/89/08/216208908.db2.gz NDDLJDIHMCHJLB-CQSZACIVSA-N 1 0 340.870 3.412 50 0 EGAARO Cc1cc2n(n1)CCC[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072436041 216231493 /nfs/dbraw/zinc/23/14/93/216231493.db2.gz QYZSPJOHBSWLMK-UHFFFAOYSA-N 1 0 327.472 3.301 50 0 EGAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000072437540 216232391 /nfs/dbraw/zinc/23/23/91/216232391.db2.gz XIVFCZNGUJCKMT-UHFFFAOYSA-N 1 0 339.439 3.008 50 0 EGAARO Cc1oc(-c2ccccc2)cc1-c1nc([C@H]2CCC[NH2+]C2)cc(=O)[nH]1 ZINC000023542437 212382028 /nfs/dbraw/zinc/38/20/28/212382028.db2.gz GAWPUENNOJYADS-HNNXBMFYSA-N 1 0 335.407 3.472 50 0 EGAARO COc1cc2c(cc1CN1CC[NH+](C3CCSCC3)CC1)CCC2 ZINC000215051013 241102109 /nfs/dbraw/zinc/10/21/09/241102109.db2.gz VRIULDIHBSKOBX-UHFFFAOYSA-N 1 0 346.540 3.197 50 0 EGAARO Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@](O)(CO)C3)cc2)cc1C ZINC000215220172 241115691 /nfs/dbraw/zinc/11/56/91/241115691.db2.gz LIGLBJLQMZGGLF-FQEVSTJZSA-N 1 0 327.424 3.025 50 0 EGAARO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(F)ccc1-n1cccn1 ZINC000216003167 241156467 /nfs/dbraw/zinc/15/64/67/241156467.db2.gz PCDNDRNIFPWKOC-UHFFFAOYSA-N 1 0 341.434 3.403 50 0 EGAARO C[N@H+](Cc1cnc(NCc2ccccc2)nc1)C1CCSCC1 ZINC000215363063 241123640 /nfs/dbraw/zinc/12/36/40/241123640.db2.gz XTHVBJMVIIEGLH-UHFFFAOYSA-N 1 0 328.485 3.416 50 0 EGAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nnc(C)[nH]4)C3)c(C)c2c1 ZINC000215496833 241129301 /nfs/dbraw/zinc/12/93/01/241129301.db2.gz BYOLXHLZKGISIA-CQSZACIVSA-N 1 0 339.443 3.291 50 0 EGAARO COc1ccc(CCN(Cc2ccccn2)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000244701040 243059865 /nfs/dbraw/zinc/05/98/65/243059865.db2.gz JYWFYCMIZAWMKZ-HXUWFJFHSA-N 1 0 339.483 3.229 50 0 EGAARO C[C@H](CC(=O)NCCc1nc2cc(F)ccc2[nH]1)[NH+]1CCCCCC1 ZINC000244748842 243075087 /nfs/dbraw/zinc/07/50/87/243075087.db2.gz OPIRYERYUOMXLW-CQSZACIVSA-N 1 0 346.450 3.015 50 0 EGAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1nc(-c3ccccc3Cl)no1)C2 ZINC000244787743 243082377 /nfs/dbraw/zinc/08/23/77/243082377.db2.gz QCYHCKMHHRKOGF-QWHCGFSZSA-N 1 0 332.835 3.059 50 0 EGAARO Cc1ccc(-c2cccc(-c3ccn(CC[NH+]4CCCC4)n3)c2)nn1 ZINC000020774191 212169535 /nfs/dbraw/zinc/16/95/35/212169535.db2.gz MFGWDPRCQDIWLV-UHFFFAOYSA-N 1 0 333.439 3.411 50 0 EGAARO OCC[C@H]1CN(Cc2cc3ccccc3[nH]2)CC[N@@H+]1C1CCCCC1 ZINC000020540926 212145335 /nfs/dbraw/zinc/14/53/35/212145335.db2.gz ZHTYOEOMAGSGRF-FQEVSTJZSA-N 1 0 341.499 3.369 50 0 EGAARO OCC[C@H]1C[N@@H+](C2CCCCCC2)CCN1Cc1ccccc1F ZINC000020515979 212142835 /nfs/dbraw/zinc/14/28/35/212142835.db2.gz VTSJRMDBFVTSHM-IBGZPJMESA-N 1 0 334.479 3.417 50 0 EGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2scnc2c1 ZINC000020426651 212127754 /nfs/dbraw/zinc/12/77/54/212127754.db2.gz ZNCNUUPYSFPONQ-HOCLYGCPSA-N 1 0 329.469 3.291 50 0 EGAARO CCN1CC[NH+](CCCCOc2cccc(Br)c2)CC1 ZINC000020390483 212124687 /nfs/dbraw/zinc/12/46/87/212124687.db2.gz QIKDBAKOJWTZID-UHFFFAOYSA-N 1 0 341.293 3.246 50 0 EGAARO COc1ccccc1OC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000020255941 212115021 /nfs/dbraw/zinc/11/50/21/212115021.db2.gz WFJDTRRGGJBRGL-KRWDZBQOSA-N 1 0 332.488 3.413 50 0 EGAARO Cc1ccc(OCC(=O)N2CC[NH+](C3CCCCCC3)CC2)cc1 ZINC000019789965 212066291 /nfs/dbraw/zinc/06/62/91/212066291.db2.gz XWBQRIVUOBTFEX-UHFFFAOYSA-N 1 0 330.472 3.241 50 0 EGAARO O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000080437319 217304236 /nfs/dbraw/zinc/30/42/36/217304236.db2.gz RUPYXMAMFBIXHS-KRWDZBQOSA-N 1 0 336.370 3.384 50 0 EGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)CC1 ZINC000013326257 211546474 /nfs/dbraw/zinc/54/64/74/211546474.db2.gz POTKKSCMRBOQNN-AWEZNQCLSA-N 1 0 338.879 3.406 50 0 EGAARO CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)NC1CC[NH+](CC)CC1 ZINC000013326225 211546051 /nfs/dbraw/zinc/54/60/51/211546051.db2.gz TWNIOWPXNPFOGK-MRXNPFEDSA-N 1 0 338.879 3.406 50 0 EGAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](C4CCC4)C3)C2=O)c1 ZINC000012429451 211378145 /nfs/dbraw/zinc/37/81/45/211378145.db2.gz ALCZQDRRQLBXEN-HXUWFJFHSA-N 1 0 346.446 3.201 50 0 EGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CSC ZINC000012454811 211387543 /nfs/dbraw/zinc/38/75/43/211387543.db2.gz AMFMALHVFBAFLC-UHFFFAOYSA-N 1 0 348.556 3.461 50 0 EGAARO O=C(CSc1ccncc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012434963 211380575 /nfs/dbraw/zinc/38/05/75/211380575.db2.gz KQRWSYCIUMXIFA-INIZCTEOSA-N 1 0 347.528 3.477 50 0 EGAARO Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012386576 211364541 /nfs/dbraw/zinc/36/45/41/211364541.db2.gz GNLNOLGSQNXIQP-GOSISDBHSA-N 1 0 347.503 3.385 50 0 EGAARO Cc1ccccc1Oc1ncccc1CNC(=O)C1CC[NH+](C)CC1 ZINC000012318221 211345223 /nfs/dbraw/zinc/34/52/23/211345223.db2.gz NUDOWJKVFUHSMY-UHFFFAOYSA-N 1 0 339.439 3.140 50 0 EGAARO CN(CCc1ccccn1)c1ncccc1C[NH2+]C1CCSCC1 ZINC000012308356 211340958 /nfs/dbraw/zinc/34/09/58/211340958.db2.gz GHLGXZKHXLGEQR-UHFFFAOYSA-N 1 0 342.512 3.141 50 0 EGAARO O=C1N(CC2CCCCC2)CCC[C@]12CC[N@H+](Cc1ccncc1)C2 ZINC000012306276 211340592 /nfs/dbraw/zinc/34/05/92/211340592.db2.gz KCSUNSKWJVZYPJ-OAQYLSRUSA-N 1 0 341.499 3.476 50 0 EGAARO COc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCCC2)cc1 ZINC000012063019 211286817 /nfs/dbraw/zinc/28/68/17/211286817.db2.gz CVQCAAVDWPHFCB-LJQANCHMSA-N 1 0 342.414 3.401 50 0 biogenic EGAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)CCOC ZINC000012055266 211285122 /nfs/dbraw/zinc/28/51/22/211285122.db2.gz ITBVDCHPNJIGBH-UHFFFAOYSA-N 1 0 346.515 3.135 50 0 EGAARO Cc1cc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)[nH]n1 ZINC000011936276 211271997 /nfs/dbraw/zinc/27/19/97/211271997.db2.gz BJHQMSUSDWUIGV-UHFFFAOYSA-N 1 0 327.472 3.316 50 0 EGAARO C[C@@H](CN1C(=O)CC[C@H]1CC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000011881202 211264576 /nfs/dbraw/zinc/26/45/76/211264576.db2.gz MJPOPKQFHXFYQG-PXNSSMCTSA-N 1 0 337.467 3.356 50 0 EGAARO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cc(C(C)C)no2)C1 ZINC000091846582 218075867 /nfs/dbraw/zinc/07/58/67/218075867.db2.gz WEJNQAGTJARNNO-INIZCTEOSA-N 1 0 341.455 3.326 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)c(C)ccc2C ZINC000091893932 218084857 /nfs/dbraw/zinc/08/48/57/218084857.db2.gz BPPCYFLQLQZQJS-QGZVFWFLSA-N 1 0 339.483 3.332 50 0 EGAARO COCCn1ccnc1[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000091965341 218095701 /nfs/dbraw/zinc/09/57/01/218095701.db2.gz CGVLYDTVEDGRMT-SQUITACLSA-N 1 0 325.456 3.422 50 0 EGAARO COc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000009874655 211130901 /nfs/dbraw/zinc/13/09/01/211130901.db2.gz WOSAUXFREPNEMM-UHFFFAOYSA-N 1 0 335.448 3.135 50 0 EGAARO O=C(NCCSc1ccccn1)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095353862 218288306 /nfs/dbraw/zinc/28/83/06/218288306.db2.gz GASVRMDRNXTTFE-QGZVFWFLSA-N 1 0 341.480 3.071 50 0 EGAARO CC(C)c1noc([C@@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000095367024 218298981 /nfs/dbraw/zinc/29/89/81/218298981.db2.gz NJAVBGFLBREELC-INIZCTEOSA-N 1 0 348.491 3.367 50 0 EGAARO COC1(c2ccccc2)CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000095361227 218294634 /nfs/dbraw/zinc/29/46/34/218294634.db2.gz XQZGQBFBHSOODS-IBGZPJMESA-N 1 0 344.499 3.415 50 0 EGAARO CCCCSc1nc(N)cc(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000095372310 218305036 /nfs/dbraw/zinc/30/50/36/218305036.db2.gz CBHDLBLATXGXLF-AWEZNQCLSA-N 1 0 335.521 3.016 50 0 EGAARO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)o1 ZINC000095377917 218310453 /nfs/dbraw/zinc/31/04/53/218310453.db2.gz SFEPKMIDEQONJU-ZWKOTPCHSA-N 1 0 339.439 3.028 50 0 EGAARO CC(C)[NH+]1CCC(CC(=O)N[C@@H](c2cccnc2)C(F)(F)F)CC1 ZINC000095380595 218312469 /nfs/dbraw/zinc/31/24/69/218312469.db2.gz AYYSRPAPURXLOC-INIZCTEOSA-N 1 0 343.393 3.312 50 0 EGAARO Cc1cc([C@H]2CCCN2C(=O)C2CC[NH+](Cc3ccco3)CC2)no1 ZINC000095387782 218319434 /nfs/dbraw/zinc/31/94/34/218319434.db2.gz BOURBDMKOAWMTK-GOSISDBHSA-N 1 0 343.427 3.152 50 0 EGAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCc2ncccc2C1 ZINC000095387325 218319584 /nfs/dbraw/zinc/31/95/84/218319584.db2.gz RDVQCOPYWQTYDL-QFBILLFUSA-N 1 0 327.472 3.011 50 0 EGAARO COc1ccc([C@@H]2C[N@H+](CCCSC)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095388160 218320633 /nfs/dbraw/zinc/32/06/33/218320633.db2.gz LDUJRYSHADFUQA-XUVXKRRUSA-N 1 0 346.540 3.310 50 0 EGAARO Cc1nc(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)sc1Cl ZINC000095388932 218320681 /nfs/dbraw/zinc/32/06/81/218320681.db2.gz ZVSBKJRNMRSNCU-LBPRGKRZSA-N 1 0 329.897 3.028 50 0 EGAARO O[C@H]1CCC[N@@H+](C2CCN(c3ccc4cccc(Cl)c4n3)CC2)C1 ZINC000095390235 218321780 /nfs/dbraw/zinc/32/17/80/218321780.db2.gz RYKMVCXNUQSOME-INIZCTEOSA-N 1 0 345.874 3.314 50 0 EGAARO Cc1ccc(O)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1 ZINC000095390825 218322996 /nfs/dbraw/zinc/32/29/96/218322996.db2.gz SITIAKPKDCBXCB-IAGOWNOFSA-N 1 0 328.456 3.037 50 0 EGAARO CC[N@H+](C)C1(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)CCCCC1 ZINC000095384675 218316574 /nfs/dbraw/zinc/31/65/74/218316574.db2.gz KTXFWFMNJRLBPL-SFHVURJKSA-N 1 0 349.494 3.199 50 0 EGAARO CC[NH+](CC)CCNc1ncnc2c1c(C)c(C)n2-c1ccccn1 ZINC000005345410 210443708 /nfs/dbraw/zinc/44/37/08/210443708.db2.gz DLXQVTMKENHQER-UHFFFAOYSA-N 1 0 338.459 3.186 50 0 EGAARO O=c1c2cc(Cl)ccc2occ1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12 ZINC000005093942 210387777 /nfs/dbraw/zinc/38/77/77/210387777.db2.gz KHDRMEPKJVXMQZ-HFTRVMKXSA-N 1 0 333.815 3.402 50 0 biogenic EGAARO COc1ccc(NC(=S)NCC[NH+]2CCC(C)CC2)cc1Cl ZINC000005064774 210382353 /nfs/dbraw/zinc/38/23/53/210382353.db2.gz LWULRPYIMPIYQD-UHFFFAOYSA-N 1 0 341.908 3.367 50 0 EGAARO CC[N@@H+]1CC[C@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000097294599 219010155 /nfs/dbraw/zinc/01/01/55/219010155.db2.gz HDMNOOZZIOPEBT-IBGZPJMESA-N 1 0 338.451 3.224 50 0 EGAARO C[C@H](C[NH+]1CCCC1)C(=O)NCc1cc(-c2cccc(Cl)c2)no1 ZINC000299780559 258089440 /nfs/dbraw/zinc/08/94/40/258089440.db2.gz CUFNPDXPYUEVHS-CYBMUJFWSA-N 1 0 347.846 3.343 50 0 EGAARO CN(C[C@@H]1CC[N@H+](C)C1(C)C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000299781859 258090519 /nfs/dbraw/zinc/09/05/19/258090519.db2.gz IKSTYFMXVQKUNS-HNNXBMFYSA-N 1 0 342.405 3.437 50 0 EGAARO CSCc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000299784440 258091933 /nfs/dbraw/zinc/09/19/33/258091933.db2.gz TWHLKUYQTVUXPS-AWEZNQCLSA-N 1 0 344.480 3.319 50 0 EGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)nc1 ZINC000299789448 258095408 /nfs/dbraw/zinc/09/54/08/258095408.db2.gz XLYRXVKPWMDNBN-MRXNPFEDSA-N 1 0 342.418 3.254 50 0 EGAARO COCC[N@@H+](Cc1cc(=O)c2cc(C)cc(C)c2[nH]1)C[C@H]1CCCO1 ZINC000299791975 258097551 /nfs/dbraw/zinc/09/75/51/258097551.db2.gz DIRLVIIETRAXMS-QGZVFWFLSA-N 1 0 344.455 3.185 50 0 EGAARO CC(C)c1cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)n(C)n1 ZINC000299798254 258102454 /nfs/dbraw/zinc/10/24/54/258102454.db2.gz XFXFUKFMFYVMMF-UHFFFAOYSA-N 1 0 333.480 3.026 50 0 EGAARO CCCN(Cc1cccnc1)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000055060781 258061190 /nfs/dbraw/zinc/06/11/90/258061190.db2.gz AROBCYVRQFZQIX-UHFFFAOYSA-N 1 0 341.455 3.325 50 0 EGAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000072161188 258064487 /nfs/dbraw/zinc/06/44/87/258064487.db2.gz YUOAMIWVVCDIIB-OAHLLOKOSA-N 1 0 329.469 3.107 50 0 EGAARO CC(C)(CC(=O)N1CC[NH+](C2CCSCC2)CC1)c1ccccc1 ZINC000216005123 258072054 /nfs/dbraw/zinc/07/20/54/258072054.db2.gz FTDBRWREDQECII-UHFFFAOYSA-N 1 0 346.540 3.394 50 0 EGAARO C[C@H](CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccccn1)c1ccccc1 ZINC000299756090 258074494 /nfs/dbraw/zinc/07/44/94/258074494.db2.gz COCSWJMAFKHGAU-YLJYHZDGSA-N 1 0 337.467 3.356 50 0 EGAARO CC(=O)Nc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000299756867 258075009 /nfs/dbraw/zinc/07/50/09/258075009.db2.gz IEZRVHRUUMKSBX-GOSISDBHSA-N 1 0 344.459 3.127 50 0 EGAARO CCn1ccc2cc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)ccc21 ZINC000299756661 258075096 /nfs/dbraw/zinc/07/50/96/258075096.db2.gz CYBSMPWHCQJJFP-OAHLLOKOSA-N 1 0 325.456 3.360 50 0 EGAARO O=C1C[C@@H](C[NH+]2CCC(Cc3cccnc3)CC2)CN1c1ccccc1 ZINC000299760581 258077727 /nfs/dbraw/zinc/07/77/27/258077727.db2.gz VDNCNHFPHJDDCN-FQEVSTJZSA-N 1 0 349.478 3.389 50 0 EGAARO Cc1ccc(NC2(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CCCC2)cc1 ZINC000067819207 292161190 /nfs/dbraw/zinc/16/11/90/292161190.db2.gz IHEJTPCTDKJRAL-QGZVFWFLSA-N 1 0 329.488 3.178 50 0 EGAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)Nc1cccc2c[nH]nc21 ZINC000096153859 274220447 /nfs/dbraw/zinc/22/04/47/274220447.db2.gz KFJWRJWJSMKTLV-AWEZNQCLSA-N 1 0 349.438 3.131 50 0 EGAARO O=C1Nc2ccccc2C12CC[NH+](CCOc1ccc(F)cc1)CC2 ZINC000072165271 275024955 /nfs/dbraw/zinc/02/49/55/275024955.db2.gz QZCBYCZQNQPIBU-UHFFFAOYSA-N 1 0 340.398 3.190 50 0 EGAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(C)nc2onc(C)c21 ZINC000055326260 276124436 /nfs/dbraw/zinc/12/44/36/276124436.db2.gz LSMFAZOCTCTGAT-UHFFFAOYSA-N 1 0 344.459 3.178 50 0 EGAARO Cn1ccnc1-c1nccn1C[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000072427954 276828663 /nfs/dbraw/zinc/82/86/63/276828663.db2.gz UAAHIYBQMRVRCS-HNNXBMFYSA-N 1 0 329.835 3.240 50 0 EGAARO COc1cc(Cl)c(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000240163553 455263372 /nfs/dbraw/zinc/26/33/72/455263372.db2.gz JBXBQMBRPRLAEJ-ZDUSSCGKSA-N 1 0 338.879 3.416 50 0 EGAARO C[N@@H+](CCC(=O)Nc1ccc(F)c(F)c1)CC[C@@H]1CCCCO1 ZINC000240517101 455263825 /nfs/dbraw/zinc/26/38/25/455263825.db2.gz NVCCDHAHXWZPCX-AWEZNQCLSA-N 1 0 326.387 3.184 50 0 EGAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000001061980 452645249 /nfs/dbraw/zinc/64/52/49/452645249.db2.gz UFEPGGDZXJPOGB-UHFFFAOYSA-N 1 0 334.423 3.421 50 0 EGAARO O=C(c1ccccc1)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515213 452702318 /nfs/dbraw/zinc/70/23/18/452702318.db2.gz YPVLYPJIXGFVTM-UHFFFAOYSA-N 1 0 337.419 3.257 50 0 EGAARO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000006698551 452969349 /nfs/dbraw/zinc/96/93/49/452969349.db2.gz LVIWRXBSXPLWPH-UHFFFAOYSA-N 1 0 333.819 3.081 50 0 EGAARO COC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008714042 453224583 /nfs/dbraw/zinc/22/45/83/453224583.db2.gz GBCCLUZCDSBFPZ-LBPRGKRZSA-N 1 0 328.412 3.410 50 0 EGAARO COC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008714112 453226276 /nfs/dbraw/zinc/22/62/76/453226276.db2.gz NADCGHPAPIMHJY-LBPRGKRZSA-N 1 0 328.412 3.267 50 0 EGAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ncoc1C1CC1 ZINC000012592750 453378782 /nfs/dbraw/zinc/37/87/82/453378782.db2.gz FXEVQILYTJMHGN-HNNXBMFYSA-N 1 0 331.460 3.469 50 0 EGAARO Cc1cc(O[C@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000013326976 453456938 /nfs/dbraw/zinc/45/69/38/453456938.db2.gz KZAYUCVLMFDQPN-CQSZACIVSA-N 1 0 338.879 3.405 50 0 EGAARO CCOC(=O)[C@@H]1CC2(CCN(Cc3ccccc3)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014987438 453551133 /nfs/dbraw/zinc/55/11/33/453551133.db2.gz XQKPAWKYOKHCKG-MOPGFXCFSA-N 1 0 342.483 3.069 50 0 EGAARO c1ccc(C[NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000022588763 453694795 /nfs/dbraw/zinc/69/47/95/453694795.db2.gz AINCQLFPVPHFEL-UHFFFAOYSA-N 1 0 335.495 3.473 50 0 EGAARO CCC(CC)[N@@H+]1CCN(Cc2ccc(OC)c(C)c2)[C@@H](CCO)C1 ZINC000023145580 453705431 /nfs/dbraw/zinc/70/54/31/453705431.db2.gz WFGJGKHMIHUCNJ-IBGZPJMESA-N 1 0 334.504 3.061 50 0 EGAARO Cn1cc([C@@H](CNC(=O)c2ccsc2)[NH+](C)C)c2ccccc21 ZINC000075149135 453867348 /nfs/dbraw/zinc/86/73/48/453867348.db2.gz WXDPDVSVLVZSNM-QGZVFWFLSA-N 1 0 327.453 3.273 50 0 EGAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000053534969 453885473 /nfs/dbraw/zinc/88/54/73/453885473.db2.gz ZDBCJAPVUACTPV-GOSISDBHSA-N 1 0 339.439 3.184 50 0 EGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(C(C)C)nn2C)cc1 ZINC000082138966 453925837 /nfs/dbraw/zinc/92/58/37/453925837.db2.gz PAGGHCSBTGYPCA-UHFFFAOYSA-N 1 0 342.487 3.056 50 0 EGAARO [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1csc(-c2cccs2)n1 ZINC000082156053 453927114 /nfs/dbraw/zinc/92/71/14/453927114.db2.gz JMJXOJNRHLTKRD-WFASDCNBSA-N 1 0 341.461 3.226 50 0 EGAARO CCC[C@H](C)[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067740131 453961263 /nfs/dbraw/zinc/96/12/63/453961263.db2.gz JDTFCQSYIOCVGU-KRWDZBQOSA-N 1 0 339.487 3.081 50 0 EGAARO Ic1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042773910 454025330 /nfs/dbraw/zinc/02/53/30/454025330.db2.gz PTXSECUETGHSEK-AWEZNQCLSA-N 1 0 345.224 3.340 50 0 EGAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)/C=C/c1ccccc1Cl ZINC000085473123 454030801 /nfs/dbraw/zinc/03/08/01/454030801.db2.gz GNRBXEXQIKKOGU-HVHJFMEUSA-N 1 0 338.904 3.249 50 0 EGAARO C[N@@H+]1CCCC[C@H]1CCn1cnc2c(cccc2C(F)(F)F)c1=O ZINC000043135993 454043026 /nfs/dbraw/zinc/04/30/26/454043026.db2.gz MGNOFUIBXBONHZ-LBPRGKRZSA-N 1 0 339.361 3.290 50 0 EGAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077343621 454093770 /nfs/dbraw/zinc/09/37/70/454093770.db2.gz OLAYYTROJIYVKP-AWEZNQCLSA-N 1 0 335.883 3.277 50 0 EGAARO O=C(CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000077440247 454106062 /nfs/dbraw/zinc/10/60/62/454106062.db2.gz VQDKAWJCQMCDBQ-UHFFFAOYSA-N 1 0 346.446 3.266 50 0 EGAARO CCC(CC)[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077505986 454115465 /nfs/dbraw/zinc/11/54/65/454115465.db2.gz DYRVNHJMCXSKNC-FQEVSTJZSA-N 1 0 344.503 3.178 50 0 EGAARO O=C(NCCCn1ccnc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000058065945 454162723 /nfs/dbraw/zinc/16/27/23/454162723.db2.gz CVBMIOLYDZMUCU-UHFFFAOYSA-N 1 0 341.459 3.081 50 0 EGAARO Cn1ccnc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000070923697 454184941 /nfs/dbraw/zinc/18/49/41/454184941.db2.gz XLWUBHHEQZTSMX-UHFFFAOYSA-N 1 0 346.478 3.327 50 0 EGAARO CC(C)[C@@H]1CN(C(=O)c2onc3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071681694 454210613 /nfs/dbraw/zinc/21/06/13/454210613.db2.gz AEWGBISRRLOPBY-SFHVURJKSA-N 1 0 341.455 3.410 50 0 EGAARO CC[C@@H]1C[N@H+](Cc2c(C)n[nH]c2C)CCC(=O)N1Cc1ccccc1 ZINC000071708034 454210779 /nfs/dbraw/zinc/21/07/79/454210779.db2.gz BVVNLXGKFGKJIX-GOSISDBHSA-N 1 0 340.471 3.040 50 0 EGAARO Oc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000071764972 454216342 /nfs/dbraw/zinc/21/63/42/454216342.db2.gz CWUMBCLYCFCJCA-BHDDXSALSA-N 1 0 334.463 3.454 50 0 EGAARO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccccc2)C[C@H]1[NH3+] ZINC000071791419 454218031 /nfs/dbraw/zinc/21/80/31/454218031.db2.gz CSXFKPWYLDEBEW-CVEARBPZSA-N 1 0 348.443 3.052 50 0 EGAARO Cc1nn(C)c2nc(N(C)Cc3ccccc3C[NH+](C)C)sc12 ZINC000095517346 454226040 /nfs/dbraw/zinc/22/60/40/454226040.db2.gz XCFSZGDSRAHYGS-UHFFFAOYSA-N 1 0 329.473 3.036 50 0 EGAARO Cc1cnn(C2CCCC2)c1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000095522676 454227185 /nfs/dbraw/zinc/22/71/85/454227185.db2.gz LCNDARAIVQWBHS-GOEBONIOSA-N 1 0 331.464 3.007 50 0 EGAARO CCC[NH+]1CCC(CC(=O)NCc2ccc3c(c2)nc(C)n3C)CC1 ZINC000095522436 454227936 /nfs/dbraw/zinc/22/79/36/454227936.db2.gz XIQMLJFFHSNFIJ-UHFFFAOYSA-N 1 0 342.487 3.010 50 0 EGAARO COc1ccc(CC[NH2+]CC(=O)Nc2c(C)cccc2C)cc1OC ZINC000096027749 454264701 /nfs/dbraw/zinc/26/47/01/454264701.db2.gz PMZRIGJLLHSMCD-UHFFFAOYSA-N 1 0 342.439 3.091 50 0 EGAARO Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](N2CCN(C)CC2)C1 ZINC000097636533 454441624 /nfs/dbraw/zinc/44/16/24/454441624.db2.gz JGZWMTGRNTVNPN-MRXNPFEDSA-N 1 0 329.513 3.031 50 0 EGAARO Cc1cc(N2CCCN(C(=O)c3cc(F)ccc3C)CC2)cc[nH+]1 ZINC000091620781 454450551 /nfs/dbraw/zinc/45/05/51/454450551.db2.gz KYDHQRIZFJLJOT-UHFFFAOYSA-N 1 0 327.403 3.190 50 0 EGAARO CCCn1cc(CNc2nc(CC[NH3+])nc3sc(C)c(C)c32)cn1 ZINC000065372025 454554860 /nfs/dbraw/zinc/55/48/60/454554860.db2.gz JKRGPXONZZPGRP-UHFFFAOYSA-N 1 0 344.488 3.028 50 0 EGAARO CC(=O)N(C)[C@H](C)C1=CC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000065373690 454555299 /nfs/dbraw/zinc/55/52/99/454555299.db2.gz GCEQHOHZZJIOOT-CYBMUJFWSA-N 1 0 338.398 3.287 50 0 EGAARO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccnn1C ZINC000065395181 454558870 /nfs/dbraw/zinc/55/88/70/454558870.db2.gz GZSOBHMSUQMNDR-SFHVURJKSA-N 1 0 340.471 3.287 50 0 EGAARO COc1ccccc1-n1nc(C2CC2)nc1-c1ccc(C[NH+](C)C)o1 ZINC000065398716 454560648 /nfs/dbraw/zinc/56/06/48/454560648.db2.gz NAMIGUFHAGIIGE-UHFFFAOYSA-N 1 0 338.411 3.475 50 0 EGAARO C=Cc1cccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000065426920 454566211 /nfs/dbraw/zinc/56/62/11/454566211.db2.gz KIHLFSYUGJGAFS-CIAFKFPVSA-N 1 0 334.463 3.040 50 0 EGAARO CCN(Cc1noc(C)n1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065528830 454584969 /nfs/dbraw/zinc/58/49/69/454584969.db2.gz YRRSCYLIVSLIMD-UHFFFAOYSA-N 1 0 342.443 3.026 50 0 EGAARO OCC[C@H]1CN(c2ccc3ccccc3n2)CC[N@@H+]1C1CCCCC1 ZINC000106945892 454735263 /nfs/dbraw/zinc/73/52/63/454735263.db2.gz KMRIDCSLBTYIFO-IBGZPJMESA-N 1 0 339.483 3.441 50 0 EGAARO Cn1c(Sc2nc3ccccc3s2)nnc1C1CC[NH2+]CC1 ZINC000265468917 455330652 /nfs/dbraw/zinc/33/06/52/455330652.db2.gz OTYGTTIIZVWTBX-UHFFFAOYSA-N 1 0 331.470 3.043 50 0 EGAARO CN(Cc1nc2ccccc2[nH]1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(C2CC2)n1 ZINC000252571055 455821450 /nfs/dbraw/zinc/82/14/50/455821450.db2.gz XPIMPDOZKGWKHW-OKILXGFUSA-N 1 0 348.454 3.071 50 0 EGAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(N2CCCC2)cc1 ZINC000220260448 456039195 /nfs/dbraw/zinc/03/91/95/456039195.db2.gz JZFZEKPHCJUDEI-QGZVFWFLSA-N 1 0 341.499 3.281 50 0 EGAARO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCCCCC2)c1)C1CC(O)C1 ZINC000223248878 456055431 /nfs/dbraw/zinc/05/54/31/456055431.db2.gz IJLCMHWYSGVSAL-SOAGJPPSSA-N 1 0 344.499 3.342 50 0 EGAARO O=C(/C=C/c1cccs1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684671 456102581 /nfs/dbraw/zinc/10/25/81/456102581.db2.gz AXLRTMCUHPRZHX-LKGOPFMKSA-N 1 0 338.476 3.421 50 0 EGAARO COCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccsc3)c2)C1 ZINC000299774508 456780505 /nfs/dbraw/zinc/78/05/05/456780505.db2.gz DCHVCHZBRGVLHB-OAHLLOKOSA-N 1 0 344.480 3.113 50 0 EGAARO C[C@H]1CCCC[N@@H+]1CCN(C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000426503152 457843512 /nfs/dbraw/zinc/84/35/12/457843512.db2.gz WXOHXYUPORHNJS-INIZCTEOSA-N 1 0 342.487 3.226 50 0 EGAARO CSC[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000426606810 457861425 /nfs/dbraw/zinc/86/14/25/457861425.db2.gz VOGVVGSTSQSROX-QGZVFWFLSA-N 1 0 335.517 3.033 50 0 EGAARO [NH3+]C[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(O)c(F)c3)c2)C1 ZINC000426619993 457862718 /nfs/dbraw/zinc/86/27/18/457862718.db2.gz HQTZQSPMVOZPDH-ZDUSSCGKSA-N 1 0 328.387 3.009 50 0 EGAARO Cc1nc2c(C)cc(-c3ccc([C@H](C)[NH+]4CCOCC4)cc3)cn2n1 ZINC000426693891 457879347 /nfs/dbraw/zinc/87/93/47/457879347.db2.gz VJFKQTCALFJJMF-HNNXBMFYSA-N 1 0 336.439 3.406 50 0 EGAARO Cc1csc(=O)n1CC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411986072 458032288 /nfs/dbraw/zinc/03/22/88/458032288.db2.gz ODCWKAQRPHFRFD-KRWDZBQOSA-N 1 0 328.481 3.488 50 0 EGAARO Cc1ccc(CN(C)C(=O)NC[C@H](c2ccccc2C)[NH+](C)C)o1 ZINC000534656841 459342880 /nfs/dbraw/zinc/34/28/80/459342880.db2.gz GQCDBXXRFNWJKQ-GOSISDBHSA-N 1 0 329.444 3.341 50 0 EGAARO CCOc1ccc(Cl)cc1CN(C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000534666957 459344829 /nfs/dbraw/zinc/34/48/29/459344829.db2.gz RWZWGFSIBQNQTB-ZDUSSCGKSA-N 1 0 341.883 3.078 50 0 EGAARO O=C(NCCCc1ccccc1)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150081 459831402 /nfs/dbraw/zinc/83/14/02/459831402.db2.gz YZXREHPTPYSABD-SFHVURJKSA-N 1 0 343.496 3.254 50 0 EGAARO CC[C@H](O)c1cc2n(n1)CCC[N@@H+](C1CCc3ccccc3CC1)C2 ZINC000219615470 547242013 /nfs/dbraw/zinc/24/20/13/547242013.db2.gz TZADMXGDADWBEK-NRFANRHFSA-N 1 0 339.483 3.480 50 0 EGAARO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CN1Cc1ccccc1 ZINC000237485237 547257123 /nfs/dbraw/zinc/25/71/23/547257123.db2.gz MIXXOAYDBCWWDA-VQIMIIECSA-N 1 0 338.451 3.210 50 0 EGAARO C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000230565518 564051173 /nfs/dbraw/zinc/05/11/73/564051173.db2.gz JWEDECISHYVQDY-CYBMUJFWSA-N 1 0 328.378 3.096 50 0 EGAARO [NH3+][C@H]1CC[C@H](CNc2ccc(I)cc2)CC1 ZINC000585672479 564067076 /nfs/dbraw/zinc/06/70/76/564067076.db2.gz OBTPPEZDTNRPMQ-UMSPYCQHSA-N 1 0 330.213 3.221 50 0 EGAARO O=C(Cc1cccs1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012590132 1291133252 /nfs/dbraw/zinc/13/32/52/1291133252.db2.gz RWHJWDLOVUARPB-KRWDZBQOSA-N 1 0 328.481 3.114 50 0 EGAARO CCn1cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c(C)n1 ZINC000015071648 1291145208 /nfs/dbraw/zinc/14/52/08/1291145208.db2.gz XALWULRUQJADAB-HXUWFJFHSA-N 1 0 330.520 3.299 50 0 EGAARO Cc1ccc(Oc2ncccc2C[NH2+]Cc2ccc3nonc3c2)cn1 ZINC000015079022 1291145604 /nfs/dbraw/zinc/14/56/04/1291145604.db2.gz XTPYILOMUHSDQS-UHFFFAOYSA-N 1 0 347.378 3.403 50 0 EGAARO CCn1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c(C)n1 ZINC000015071650 1291145664 /nfs/dbraw/zinc/14/56/64/1291145664.db2.gz XALWULRUQJADAB-FQEVSTJZSA-N 1 0 330.520 3.299 50 0 EGAARO COc1cc(C[C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000023280868 1291233830 /nfs/dbraw/zinc/23/38/30/1291233830.db2.gz 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COc1ccc2n[nH]c(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)c2c1 ZINC000072143638 216029321 /nfs/dbraw/zinc/02/93/21/216029321.db2.gz UTCUEOXDRZSJJI-UHFFFAOYSA-N 1 0 347.422 3.389 50 0 EGAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072150046 216037953 /nfs/dbraw/zinc/03/79/53/216037953.db2.gz QDUNHZDMQGAKKM-NRFANRHFSA-N 1 0 349.482 3.349 50 0 EGAARO Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)CC3)cc2)n1 ZINC000072162318 216050353 /nfs/dbraw/zinc/05/03/53/216050353.db2.gz QDSSOPICIJRJRC-GOSISDBHSA-N 1 0 340.471 3.045 50 0 EGAARO COc1ccc(-c2n[nH]cc2CN2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000072164111 216052862 /nfs/dbraw/zinc/05/28/62/216052862.db2.gz FKQVMLCDCCWCJZ-HNNXBMFYSA-N 1 0 340.471 3.144 50 0 EGAARO CCc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)nc1 ZINC000072169311 216061060 /nfs/dbraw/zinc/06/10/60/216061060.db2.gz DUACOTBWZNKBNT-UHFFFAOYSA-N 1 0 335.451 3.154 50 0 EGAARO CC[C@@H](C[NH+](C)C)Nc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072411702 216203499 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CCOC(=O)N1CCC([N@@H+]2CCO[C@H](CC3CCCCC3)C2)CC1 ZINC000023337664 212369581 /nfs/dbraw/zinc/36/95/81/212369581.db2.gz JDAWRWNCKORMIN-GOSISDBHSA-N 1 0 338.492 3.279 50 0 EGAARO c1cnn(CCC[N@@H+]2CCO[C@H](Cc3cccc4ccccc43)C2)c1 ZINC000023129264 212352780 /nfs/dbraw/zinc/35/27/80/212352780.db2.gz QGFXPEDMDNVCIB-HXUWFJFHSA-N 1 0 335.451 3.370 50 0 EGAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000022787445 212324613 /nfs/dbraw/zinc/32/46/13/212324613.db2.gz XWQIFCAPIJRATN-LJQANCHMSA-N 1 0 338.455 3.475 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1Cn1cncn1 ZINC000216282254 241180480 /nfs/dbraw/zinc/18/04/80/241180480.db2.gz POFVNCHYWKRDJU-LJQANCHMSA-N 1 0 334.423 3.282 50 0 EGAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)c1nc2ccccc2[nH]1 ZINC000216308473 241181011 /nfs/dbraw/zinc/18/10/11/241181011.db2.gz GESXMVYWDMPZDD-UHFFFAOYSA-N 1 0 326.444 3.091 50 0 EGAARO Cn1c2ccccc2cc(C[N@H+](C)CC[C@H](O)c2ccccc2)c1=O ZINC000215529524 241131055 /nfs/dbraw/zinc/13/10/55/241131055.db2.gz DSNPIGRMAIGUIN-FQEVSTJZSA-N 1 0 336.435 3.094 50 0 EGAARO O=C(CCN1CC([NH+]2CCCCC2)C1)Nc1cccc2ccccc21 ZINC000243915041 243031642 /nfs/dbraw/zinc/03/16/42/243031642.db2.gz BMCBDZSMGJKHCM-UHFFFAOYSA-N 1 0 337.467 3.339 50 0 EGAARO Cc1ccc2[nH]nc(CNc3cc([C@H]4C[C@H]([NH3+])C4)nc(C4CC4)n3)c2c1 ZINC000244626509 243045390 /nfs/dbraw/zinc/04/53/90/243045390.db2.gz FNBTWKXBSKNGFN-HDJSIYSDSA-N 1 0 348.454 3.356 50 0 EGAARO CC[C@H](NC(=O)c1cccc(C[NH+]2CCCCCC2)c1)[C@H]1C[C@H](O)C1 ZINC000244678756 243058335 /nfs/dbraw/zinc/05/83/35/243058335.db2.gz IJLCMHWYSGVSAL-UFYCRDLUSA-N 1 0 344.499 3.342 50 0 EGAARO CC[NH+](CC)CCNc1ncnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000020661944 212160842 /nfs/dbraw/zinc/16/08/42/212160842.db2.gz SGPDJPZTGFPDHP-UHFFFAOYSA-N 1 0 338.459 3.186 50 0 EGAARO C[C@@H]1C[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C[C@@H](C)O1 ZINC000020612358 212154770 /nfs/dbraw/zinc/15/47/70/212154770.db2.gz ATYCRKJZBGDSRF-QZWXOXAFSA-N 1 0 347.499 3.410 50 0 biogenic EGAARO CCn1ccnc1CN1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000019744525 212060590 /nfs/dbraw/zinc/06/05/90/212060590.db2.gz FNFQBUXEHLVNFD-IBGZPJMESA-N 1 0 326.488 3.042 50 0 EGAARO OCC1CC[NH+]([C@H]2CCCN(C/C(Cl)=C/c3ccccc3)C2)CC1 ZINC000019741725 212059990 /nfs/dbraw/zinc/05/99/90/212059990.db2.gz PFKPURUEZUMMRR-DTBYZMGXSA-N 1 0 348.918 3.435 50 0 EGAARO Brc1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000019607514 212052044 /nfs/dbraw/zinc/05/20/44/212052044.db2.gz JFSXDEXWJLGZAL-UHFFFAOYSA-N 1 0 328.250 3.330 50 0 EGAARO COc1cccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1OC ZINC000019359818 212021187 /nfs/dbraw/zinc/02/11/87/212021187.db2.gz QARPUMYCZOZHPG-QGZVFWFLSA-N 1 0 330.472 3.178 50 0 EGAARO Cc1c([C@H](C)[NH2+]C2CCN(C)CC2)cnn1-c1ccc(F)cc1F ZINC000019229558 212006525 /nfs/dbraw/zinc/00/65/25/212006525.db2.gz FTBMIXYVIMQZLQ-LBPRGKRZSA-N 1 0 334.414 3.204 50 0 EGAARO CSCCC[N@@H+]1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000012455648 211385824 /nfs/dbraw/zinc/38/58/24/211385824.db2.gz KPAHXWSZHLYBFU-UHFFFAOYSA-N 1 0 330.453 3.402 50 0 EGAARO C[N@H+](C[C@@H]1CCCN(CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443848 211384509 /nfs/dbraw/zinc/38/45/09/211384509.db2.gz XQMQHTCWFFLZNV-KRWDZBQOSA-N 1 0 336.495 3.031 50 0 EGAARO CCN(Cc1cc[nH]n1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012305982 211340371 /nfs/dbraw/zinc/34/03/71/211340371.db2.gz IHGAUWAHILOEJZ-GOSISDBHSA-N 1 0 344.478 3.325 50 0 EGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cnc[nH]3)C2)cc1 ZINC000012302910 211338958 /nfs/dbraw/zinc/33/89/58/211338958.db2.gz NRIJMCKHSDBMHD-SFHVURJKSA-N 1 0 340.471 3.003 50 0 EGAARO OC[C@H]1CN(c2nc3ccccc3s2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091390686 218000496 /nfs/dbraw/zinc/00/04/96/218000496.db2.gz AQWYRLJUYQHKDG-HZPDHXFCSA-N 1 0 345.512 3.217 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)c(F)c1 ZINC000091410354 218000942 /nfs/dbraw/zinc/00/09/42/218000942.db2.gz HYECNYGLRQMADE-QGZVFWFLSA-N 1 0 329.415 3.391 50 0 EGAARO C/C=C(\C)C[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000011879898 211265140 /nfs/dbraw/zinc/26/51/40/211265140.db2.gz KBBGUJCRKSHFIZ-PTJFDQCRSA-N 1 0 326.362 3.362 50 0 EGAARO O=C(CCc1ccncc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011821315 211252951 /nfs/dbraw/zinc/25/29/51/211252951.db2.gz VWXXBFBFIMQVFS-SFHVURJKSA-N 1 0 329.488 3.318 50 0 EGAARO Cc1c[nH+]ccc1N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000091738131 218056424 /nfs/dbraw/zinc/05/64/24/218056424.db2.gz YNGQQPNZHZWPPA-GOSISDBHSA-N 1 0 333.439 3.414 50 0 EGAARO CC[C@@]1(CO)CCC[N@@H+](C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000091779854 218064982 /nfs/dbraw/zinc/06/49/82/218064982.db2.gz GGWHNFAADMRYPR-HXUWFJFHSA-N 1 0 332.488 3.149 50 0 EGAARO COCC[C@]1(CO)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000091847869 218075825 /nfs/dbraw/zinc/07/58/25/218075825.db2.gz REBGYUUEXRSRLY-MRXNPFEDSA-N 1 0 331.378 3.316 50 0 EGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091985599 218097617 /nfs/dbraw/zinc/09/76/17/218097617.db2.gz BMWQSDYCCBCQLH-LJQANCHMSA-N 1 0 327.428 3.292 50 0 EGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000091998015 218101647 /nfs/dbraw/zinc/10/16/47/218101647.db2.gz LDECHEMECSAHES-UHFFFAOYSA-N 1 0 344.499 3.236 50 0 EGAARO CCOc1cccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000010450952 211174650 /nfs/dbraw/zinc/17/46/50/211174650.db2.gz ICONWBWAWOHXRA-UHFFFAOYSA-N 1 0 338.451 3.480 50 0 EGAARO OCCOCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000010436255 211172141 /nfs/dbraw/zinc/17/21/41/211172141.db2.gz YBPSSRXJDAIZSJ-UHFFFAOYSA-N 1 0 330.211 3.352 50 0 EGAARO O=C(NCCSc1ccccn1)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095353863 218288573 /nfs/dbraw/zinc/28/85/73/218288573.db2.gz GASVRMDRNXTTFE-KRWDZBQOSA-N 1 0 341.480 3.071 50 0 EGAARO CN(C/C=C/c1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095368901 218301258 /nfs/dbraw/zinc/30/12/58/218301258.db2.gz JUFUTUAZZPVMRO-SQUITACLSA-N 1 0 342.483 3.049 50 0 EGAARO CCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008990811 211028581 /nfs/dbraw/zinc/02/85/81/211028581.db2.gz SDEJEOWHEFADKQ-MRXNPFEDSA-N 1 0 328.412 3.245 50 0 EGAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000008880125 211014574 /nfs/dbraw/zinc/01/45/74/211014574.db2.gz OZYQLFLXUSYLCY-CQSZACIVSA-N 1 0 349.862 3.431 50 0 EGAARO Cc1cc(C)c2c(ncnc2N(C)C[C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000095385118 218317425 /nfs/dbraw/zinc/31/74/25/218317425.db2.gz VSYXQAFOBBINCI-INIZCTEOSA-N 1 0 327.476 3.056 50 0 EGAARO CC1CC[NH+](CC2CCN(C(=O)NCc3ccc(F)cc3)CC2)CC1 ZINC000008607940 210973388 /nfs/dbraw/zinc/97/33/88/210973388.db2.gz QTNDELNBXZEVRT-UHFFFAOYSA-N 1 0 347.478 3.479 50 0 EGAARO Cc1ccccc1[C@@H](CNC(=O)c1cnc(C2CC2)nc1C)[NH+](C)C ZINC000097294775 219010169 /nfs/dbraw/zinc/01/01/69/219010169.db2.gz YCAMVFXVNKZGHA-GOSISDBHSA-N 1 0 338.455 3.004 50 0 EGAARO CN(C[C@H]1CC[N@H+](C)C1(C)C)C(=O)Cc1ccc(F)cc1Cl ZINC000299787400 258094200 /nfs/dbraw/zinc/09/42/00/258094200.db2.gz WQOQBTDSYPLMFY-CYBMUJFWSA-N 1 0 326.843 3.210 50 0 EGAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)nc1 ZINC000299789447 258095640 /nfs/dbraw/zinc/09/56/40/258095640.db2.gz XLYRXVKPWMDNBN-INIZCTEOSA-N 1 0 342.418 3.254 50 0 EGAARO COCc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](CC(C)C)CC[C@@H]32)o1 ZINC000299792602 258097994 /nfs/dbraw/zinc/09/79/94/258097994.db2.gz FYGBHSWBXBOWCJ-WBVHZDCISA-N 1 0 334.460 3.009 50 0 EGAARO COCc1cccc(C(=O)N2CCCC3(CC[NH+](C)CC3)CC2)c1 ZINC000299759944 258077090 /nfs/dbraw/zinc/07/70/90/258077090.db2.gz PPUWDIIADQZFPT-UHFFFAOYSA-N 1 0 330.472 3.171 50 0 EGAARO CO[C@]12CC[N@H+](Cc3[nH]c4ccc(C)cc4c3C)[C@H]1C[C@H](O)CC2 ZINC000299760326 258077308 /nfs/dbraw/zinc/07/73/08/258077308.db2.gz QENJQZZSKNORIJ-UIAACRFSSA-N 1 0 328.456 3.289 50 0 EGAARO Cc1ccc2nc(N3CCC([N@@H+]4CCC[C@@H](O)C4)CC3)cc(C)c2c1 ZINC000055360338 132194933 /nfs/dbraw/zinc/19/49/33/132194933.db2.gz BHBQTGBVARXOGO-GOSISDBHSA-N 1 0 339.483 3.277 50 0 EGAARO CC[C@@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000004521567 287232145 /nfs/dbraw/zinc/23/21/45/287232145.db2.gz LJOQGZACKSYWCH-FQZPYLGXSA-N 1 0 326.440 3.397 50 0 EGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2)N1 ZINC000004005395 274943001 /nfs/dbraw/zinc/94/30/01/274943001.db2.gz LPJKSXRZVOZSHE-CYBMUJFWSA-N 1 0 342.200 3.086 50 0 EGAARO O=C(c1ccccc1)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000085651524 275014020 /nfs/dbraw/zinc/01/40/20/275014020.db2.gz LBFWDHBDJWEJQV-UHFFFAOYSA-N 1 0 337.419 3.257 50 0 EGAARO COc1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1OCc1ccccc1 ZINC000004988591 275116909 /nfs/dbraw/zinc/11/69/09/275116909.db2.gz XJGQGPCPQKCNON-GOSISDBHSA-N 1 0 327.424 3.231 50 0 EGAARO CCC[N@@H+](Cc1cc(OC)ccc1-n1cccn1)C[C@@H]1CCCO1 ZINC000215087413 276001333 /nfs/dbraw/zinc/00/13/33/276001333.db2.gz UNCJVSLUTVSCIT-SFHVURJKSA-N 1 0 329.444 3.272 50 0 EGAARO CCOC(=O)[C@H]1C[C@H]2C[C@@H]1[C@H]1Sc3sc4ccccc4[n+]3[C@@H]12 ZINC000035325854 276294679 /nfs/dbraw/zinc/29/46/79/276294679.db2.gz OSGPBPGTQOEBCQ-CDYMVBJSSA-N 1 0 332.470 3.423 50 0 EGAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cccc(O)c1 ZINC000008741233 277310780 /nfs/dbraw/zinc/31/07/80/277310780.db2.gz RNFORCCVXGTWQA-KRWDZBQOSA-N 1 0 335.363 3.182 50 0 EGAARO Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)on1 ZINC000097655579 301133539 /nfs/dbraw/zinc/13/35/39/301133539.db2.gz ARTPFYSSTZUBDU-QGZVFWFLSA-N 1 0 327.428 3.330 50 0 EGAARO C[NH+](C)CCC[C@@H]1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000000394152 452578746 /nfs/dbraw/zinc/57/87/46/452578746.db2.gz CWNJEYNRTSTRHF-MOPGFXCFSA-N 1 0 336.435 3.302 50 0 EGAARO CCCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000000472482 452602620 /nfs/dbraw/zinc/60/26/20/452602620.db2.gz AWEXCMREMRVOFW-FQEVSTJZSA-N 1 0 325.452 3.437 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1Cn1cnc2c([nH]c3cccc(Cl)c32)c1=O ZINC000002395273 452696299 /nfs/dbraw/zinc/69/62/99/452696299.db2.gz HSUZCJBKRXUKKI-LLVKDONJSA-N 1 0 330.819 3.016 50 0 EGAARO COc1cc2c(cc1OC)C1=[N+](CC2)[C@H](c2ccccc2)CC(=O)C1 ZINC000004090685 452793242 /nfs/dbraw/zinc/79/32/42/452793242.db2.gz WVBFROGIYXYRLF-SFHVURJKSA-N 1 0 336.411 3.166 50 0 biogenic EGAARO C[NH+]1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000004688524 452811983 /nfs/dbraw/zinc/81/19/83/452811983.db2.gz WFNOBPWEFUYLAH-UHFFFAOYSA-N 1 0 343.858 3.273 50 0 EGAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000006432210 452942603 /nfs/dbraw/zinc/94/26/03/452942603.db2.gz JVNLAQUJTFVCPW-SFHVURJKSA-N 1 0 342.439 3.174 50 0 EGAARO CSCC(=O)N1CC[C@@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012571631 453376257 /nfs/dbraw/zinc/37/62/57/453376257.db2.gz LKGDKMMFSCRBFL-LJQANCHMSA-N 1 0 346.540 3.153 50 0 EGAARO CCCNC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000012585142 453377440 /nfs/dbraw/zinc/37/74/40/453377440.db2.gz OAZFRIOXNFKYTI-QGZVFWFLSA-N 1 0 347.503 3.001 50 0 EGAARO O=C(NCCC[N@@H+]1CC[C@@H](c2ccccc2)C1)NC1CCCCC1 ZINC000015108691 453557612 /nfs/dbraw/zinc/55/76/12/453557612.db2.gz BQVAIJCLLGCBBN-GOSISDBHSA-N 1 0 329.488 3.498 50 0 EGAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(Cl)cc2C=O)C[C@H](C)O1 ZINC000016489368 453609438 /nfs/dbraw/zinc/60/94/38/453609438.db2.gz UMLPHBJUUQLEAF-OKILXGFUSA-N 1 0 325.836 3.421 50 0 EGAARO C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019114018 453654119 /nfs/dbraw/zinc/65/41/19/453654119.db2.gz PVPURIIUNFQNNJ-INIZCTEOSA-N 1 0 349.906 3.111 50 0 EGAARO C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019114015 453654318 /nfs/dbraw/zinc/65/43/18/453654318.db2.gz PVPURIIUNFQNNJ-MRXNPFEDSA-N 1 0 349.906 3.111 50 0 EGAARO Cn1cc([C@@H](CNC(=O)/C=C/c2ccco2)[NH+](C)C)c2ccccc21 ZINC000075149140 453867235 /nfs/dbraw/zinc/86/72/35/453867235.db2.gz WQCXLBVTCIGJFV-GNISGLHKSA-N 1 0 337.423 3.204 50 0 EGAARO Cc1cc(N2CCCN(C(=O)c3sccc3Cl)CC2)cc[nH+]1 ZINC000082107120 453924839 /nfs/dbraw/zinc/92/48/39/453924839.db2.gz LUSAOVLLDYYGSQ-UHFFFAOYSA-N 1 0 335.860 3.457 50 0 EGAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000067908770 453979558 /nfs/dbraw/zinc/97/95/58/453979558.db2.gz ZVSOAPSGKPKFCB-QYZOEREBSA-N 1 0 339.483 3.107 50 0 EGAARO Brc1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000042417797 454009961 /nfs/dbraw/zinc/00/99/61/454009961.db2.gz VCXZROURKJEYTB-UHFFFAOYSA-N 1 0 332.245 3.166 50 0 EGAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000076556520 454014623 /nfs/dbraw/zinc/01/46/23/454014623.db2.gz VXRKDEKXJZLUAJ-WBVHZDCISA-N 1 0 329.444 3.198 50 0 EGAARO Cc1cc(C(=O)N2CC([NH+]3CCCCC3)C2)c2ccc(C)c(C)c2n1 ZINC000077357460 454097032 /nfs/dbraw/zinc/09/70/32/454097032.db2.gz KDUBAKAOHWRLJU-UHFFFAOYSA-N 1 0 337.467 3.470 50 0 EGAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](c3cc[nH]n3)C1)CO2 ZINC000077456066 454107344 /nfs/dbraw/zinc/10/73/44/454107344.db2.gz DFNZOTQVXIJDQD-HNNXBMFYSA-N 1 0 325.412 3.074 50 0 EGAARO O=C1CC[C@@]2(CCC[N@@H+](CCOc3ccc(F)cc3)C2)CN1C1CC1 ZINC000077459823 454108487 /nfs/dbraw/zinc/10/84/87/454108487.db2.gz BALSVRWUAXWMRW-HXUWFJFHSA-N 1 0 346.446 3.072 50 0 EGAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000077470765 454109809 /nfs/dbraw/zinc/10/98/09/454109809.db2.gz PAVWOMUXNCVZCU-IBGZPJMESA-N 1 0 347.890 3.244 50 0 EGAARO Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)on2)cc1 ZINC000071714977 454212009 /nfs/dbraw/zinc/21/20/09/454212009.db2.gz SFTASEBMLWGNDR-QGZVFWFLSA-N 1 0 339.439 3.237 50 0 EGAARO CC[NH+](CC)CC(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071750900 454212852 /nfs/dbraw/zinc/21/28/52/454212852.db2.gz OZZWJAFTSAIUDL-OAHLLOKOSA-N 1 0 338.442 3.478 50 0 EGAARO COC[C@@H]1CC[N@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000071749860 454213373 /nfs/dbraw/zinc/21/33/73/454213373.db2.gz TWEGASCIFCVTGQ-CYBMUJFWSA-N 1 0 334.391 3.266 50 0 EGAARO CC[NH+](CC)[C@H]1CCN(c2ccc(-c3ccccc3OC)nn2)C1 ZINC000071754521 454214424 /nfs/dbraw/zinc/21/44/24/454214424.db2.gz WKXFNJJUWWNZON-HNNXBMFYSA-N 1 0 326.444 3.073 50 0 EGAARO CCn1ccnc1-c1nccn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071753392 454214638 /nfs/dbraw/zinc/21/46/38/454214638.db2.gz LEPMPGYMEQLJNX-SFHVURJKSA-N 1 0 335.455 3.289 50 0 EGAARO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@@](C)(O)C3)c(C)o2)c1 ZINC000071759782 454215739 /nfs/dbraw/zinc/21/57/39/454215739.db2.gz AKNJYNQHUSCKIB-LJQANCHMSA-N 1 0 346.427 3.014 50 0 EGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccccc1OC(F)(F)F ZINC000095503014 454222886 /nfs/dbraw/zinc/22/28/86/454222886.db2.gz VDULGBBNMRPHID-NSHDSACASA-N 1 0 331.338 3.191 50 0 EGAARO COc1cc(Cl)c(CN2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cc1OC ZINC000095527089 454229247 /nfs/dbraw/zinc/22/92/47/454229247.db2.gz JBHLKWRDTQPIFW-GOEBONIOSA-N 1 0 340.895 3.375 50 0 EGAARO CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000091907352 454488380 /nfs/dbraw/zinc/48/83/80/454488380.db2.gz USQYTWPBUUYLDX-OXQOHEQNSA-N 1 0 326.484 3.472 50 0 EGAARO CCc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000065407898 454562024 /nfs/dbraw/zinc/56/20/24/454562024.db2.gz GTDJYCBIRBSFMA-QGZVFWFLSA-N 1 0 340.471 3.186 50 0 EGAARO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)c1 ZINC000065488325 454576290 /nfs/dbraw/zinc/57/62/90/454576290.db2.gz SBCUUARLQMXAOR-IAGOWNOFSA-N 1 0 345.464 3.194 50 0 EGAARO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000169620460 454930359 /nfs/dbraw/zinc/93/03/59/454930359.db2.gz NZUUPLWSKJXMDC-SZMVWBNQSA-N 1 0 326.440 3.282 50 0 EGAARO Cn1ccc2c1cccc2C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613501 454942102 /nfs/dbraw/zinc/94/21/02/454942102.db2.gz OTNPOMCTGDFKFI-YJBOKZPZSA-N 1 0 325.456 3.173 50 0 EGAARO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2ccccc21 ZINC000170613330 454942515 /nfs/dbraw/zinc/94/25/15/454942515.db2.gz LGUQKRMIUZKWKL-WMZOPIPTSA-N 1 0 325.456 3.173 50 0 EGAARO COc1ccc(OCC2CC[NH+](CCCn3ccnc3C)CC2)cc1 ZINC000252484416 455809923 /nfs/dbraw/zinc/80/99/23/455809923.db2.gz FVRWPESONDAFBV-UHFFFAOYSA-N 1 0 343.471 3.381 50 0 EGAARO c1ncn(Cc2ccccc2)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000252506630 455816325 /nfs/dbraw/zinc/81/63/25/455816325.db2.gz WBVMDOUDCSIXMW-UHFFFAOYSA-N 1 0 338.499 3.382 50 0 EGAARO C[C@@H](Oc1ccccc1)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261642741 455920332 /nfs/dbraw/zinc/92/03/32/455920332.db2.gz DPQPVLVEMVASJD-RDTXWAMCSA-N 1 0 344.842 3.280 50 0 EGAARO O=C(/C=C/c1ccccc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684437 456102501 /nfs/dbraw/zinc/10/25/01/456102501.db2.gz CZASNUVISHWKKE-ZJVMWOEPSA-N 1 0 332.447 3.359 50 0 EGAARO [NH3+]CCOc1cccc(C(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000426470618 457836075 /nfs/dbraw/zinc/83/60/75/457836075.db2.gz LGDQBXNUGUFPPX-UHFFFAOYSA-N 1 0 330.815 3.097 50 0 EGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cccc(-c2ccccc2CO)c1 ZINC000426506547 457845305 /nfs/dbraw/zinc/84/53/05/457845305.db2.gz FBVWKWQCLAWGEQ-LJQANCHMSA-N 1 0 338.451 3.060 50 0 EGAARO CCc1oc(C(=O)NCCOc2ccccc2)cc1C[NH+]1CCCC1 ZINC000426533914 457851304 /nfs/dbraw/zinc/85/13/04/457851304.db2.gz CHXWFCIGXXWDBN-UHFFFAOYSA-N 1 0 342.439 3.247 50 0 EGAARO COc1ccc2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)[nH]c2c1 ZINC000526052626 459538665 /nfs/dbraw/zinc/53/86/65/459538665.db2.gz XJUXCVHKXDXMQX-DNVCBOLYSA-N 1 0 341.455 3.171 50 0 EGAARO O=C(NCc1c[nH]nc1-c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000584890492 459819806 /nfs/dbraw/zinc/81/98/06/459819806.db2.gz KQEYFBARDMTBBX-UHFFFAOYSA-N 1 0 338.455 3.102 50 0 EGAARO Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)c3cccs3)CC2)cs1 ZINC000584895066 459819813 /nfs/dbraw/zinc/81/98/13/459819813.db2.gz OVEVSKAYNSERHP-NSHDSACASA-N 1 0 335.498 3.468 50 0 EGAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000585135069 459828312 /nfs/dbraw/zinc/82/83/12/459828312.db2.gz WGSTZKIDSFQUSP-OAHLLOKOSA-N 1 0 346.438 3.276 50 0 EGAARO Cc1ccnc(C[C@H](C)N(C)C(=O)CCC[NH+]2CCCCCC2)c1 ZINC000244852868 525659648 /nfs/dbraw/zinc/65/96/48/525659648.db2.gz VAQXYBLYJVVSLN-SFHVURJKSA-N 1 0 331.504 3.436 50 0 EGAARO COc1ccccc1C1CC[NH+](CC(C)(C)CN2CCOCC2)CC1 ZINC000215953842 537015473 /nfs/dbraw/zinc/01/54/73/537015473.db2.gz GCGYDNNJIFJJST-UHFFFAOYSA-N 1 0 346.515 3.233 50 0 EGAARO O=C1NC[C@@H]([NH2+]CCC2=CCCCC2)n2nc(-c3cccs3)cc21 ZINC000169754495 546993174 /nfs/dbraw/zinc/99/31/74/546993174.db2.gz GGOQZOKRMCBJFF-KRWDZBQOSA-N 1 0 342.468 3.334 50 0 EGAARO [NH3+]C[C@H]1CCCCN1C(=O)NCCc1c(Cl)cccc1Cl ZINC000417271514 547872477 /nfs/dbraw/zinc/87/24/77/547872477.db2.gz PEZHKTFDWSEIFI-LLVKDONJSA-N 1 0 330.259 3.059 50 0 EGAARO CN(Cc1ncc[nH]1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012302559 1291131647 /nfs/dbraw/zinc/13/16/47/1291131647.db2.gz MEINLOHDLPQOSC-KRWDZBQOSA-N 1 0 346.906 3.450 50 0 EGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC1CC1)C3 ZINC000012331411 1291132116 /nfs/dbraw/zinc/13/21/16/1291132116.db2.gz KITPUWUNDODNLZ-ZDUSSCGKSA-N 1 0 331.485 3.115 50 0 EGAARO COCc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000022919808 1291227691 /nfs/dbraw/zinc/22/76/91/1291227691.db2.gz MKBXNXKIBGJVDW-INIZCTEOSA-N 1 0 332.419 3.319 50 0 EGAARO C[NH+]1CCC(CCn2cnc3cc(C(F)(F)F)ccc3c2=O)CC1 ZINC000032580912 1291380011 /nfs/dbraw/zinc/38/00/11/1291380011.db2.gz UOTJJJUJPUGDFH-UHFFFAOYSA-N 1 0 339.361 3.147 50 0 EGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@@H]1COc2ccccc2O1 ZINC000047452134 1291576154 /nfs/dbraw/zinc/57/61/54/1291576154.db2.gz HYFFATIQXRVTOO-IBGZPJMESA-N 1 0 338.407 3.061 50 0 EGAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1CCc1cccs1 ZINC000828258687 1292447908 /nfs/dbraw/zinc/44/79/08/1292447908.db2.gz RTICWPCNUQMGBE-QGZVFWFLSA-N 1 0 328.481 3.462 50 0 EGAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000093064390 1292905191 /nfs/dbraw/zinc/90/51/91/1292905191.db2.gz IKKMVMRLULOSBV-VQTJNVASSA-N 1 0 335.451 3.218 50 0 EGAARO O=C(N[C@H]1CC[N@H+](Cc2ccsc2)C1)c1cc2ccccc2[nH]1 ZINC000618256734 1298099581 /nfs/dbraw/zinc/09/95/81/1298099581.db2.gz LXYNDXFGCXFDLN-HNNXBMFYSA-N 1 0 325.437 3.234 50 0 EGAARO Oc1cccc(CN2CCC[C@@H]([NH2+]Cc3cnccc3Cl)C2)c1 ZINC000952863673 1334583140 /nfs/dbraw/zinc/58/31/40/1334583140.db2.gz VMSJXMWRNVDTTO-MRXNPFEDSA-N 1 0 331.847 3.195 50 0 EGAARO Cc1n[nH]c(C[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)c1Cl ZINC000952962194 1334625745 /nfs/dbraw/zinc/62/57/45/1334625745.db2.gz CHHJDPCOBWRXIF-UHFFFAOYSA-N 1 0 346.862 3.074 50 0 EGAARO C[C@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccccc1-n1cccn1 ZINC000952971306 1334627608 /nfs/dbraw/zinc/62/76/08/1334627608.db2.gz NSRQSVPQEXDYJE-INIZCTEOSA-N 1 0 337.423 3.094 50 0 EGAARO CCc1ccccc1C(=O)NCC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000952972130 1334627719 /nfs/dbraw/zinc/62/77/19/1334627719.db2.gz DAMQAZWQLBKJNK-SFHVURJKSA-N 1 0 344.499 3.117 50 0 EGAARO O=C(CCN1CCCCCC1=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952972608 1334627931 /nfs/dbraw/zinc/62/79/31/1334627931.db2.gz QGYLGXWCNYMGAQ-UHFFFAOYSA-N 1 0 343.471 3.014 50 0 EGAARO Cc1ccccc1NC(=O)CC[NH2+]Cc1cnc(-c2ccco2)nc1 ZINC000952979110 1334629377 /nfs/dbraw/zinc/62/93/77/1334629377.db2.gz FWUDTLQVVIILJO-UHFFFAOYSA-N 1 0 336.395 3.163 50 0 EGAARO CC[C@H]1C=CC[N@@H+]1Cc1cccc(OC)c1OCCn1ccnc1 ZINC000952992217 1334631894 /nfs/dbraw/zinc/63/18/94/1334631894.db2.gz YPDRQNQLAKIXFP-KRWDZBQOSA-N 1 0 327.428 3.121 50 0 EGAARO Cc1ccc2cc(C[N@@H+](C)[C@@H]3C[C@@H]4C[C@H](O)C[C@@H]4C3)c(=O)[nH]c2c1 ZINC001704351944 1416453203 /nfs/dbraw/zinc/45/32/03/1416453203.db2.gz MSBJYRYZDQHQMT-LVYXFOGZSA-N 1 0 326.440 3.230 50 0 EGAARO c1cnn(CCC2CC[NH+](Cc3cc(-c4ccncc4)no3)CC2)c1 ZINC001704357397 1416454779 /nfs/dbraw/zinc/45/47/79/1416454779.db2.gz RSEHUDKRYKEFLZ-UHFFFAOYSA-N 1 0 337.427 3.235 50 0 EGAARO COc1ccc(C[NH+]2CCC(c3ccn(C)c(=O)c3)CC2)cc1Cl ZINC001772806900 1441417410 /nfs/dbraw/zinc/41/74/10/1441417410.db2.gz GVBAOBBHWFTKQE-UHFFFAOYSA-N 1 0 346.858 3.427 50 0 EGAARO C[C@H](c1ccc(-c2nccn2-c2ccc3c(c2)nnn3C)cc1)[NH+](C)C ZINC001772808736 1441417508 /nfs/dbraw/zinc/41/75/08/1441417508.db2.gz ZUHWUAKQFDOHEA-CQSZACIVSA-N 1 0 346.438 3.444 50 0 EGAARO O=c1ccc(CC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c[nH]1 ZINC001772813870 1441417609 /nfs/dbraw/zinc/41/76/09/1441417609.db2.gz XOXIQNSYISLPQX-UHFFFAOYSA-N 1 0 338.411 3.225 50 0 EGAARO Cc1ccc(OCC(=O)N2CCC([NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004744241 210267051 /nfs/dbraw/zinc/26/70/51/210267051.db2.gz BXHFODIOHYHFNH-ROUUACIJSA-N 1 0 344.499 3.343 50 0 EGAARO COc1ccc(/C=C/C[NH+]2CCC3(CC2)CCC(=O)N(C)CC3)cc1 ZINC000097759302 219055493 /nfs/dbraw/zinc/05/54/93/219055493.db2.gz HUQRAKMQCHEPCY-ONEGZZNKSA-N 1 0 342.483 3.433 50 0 EGAARO CCC[N@H+](Cc1cccc(OCCO)c1)Cc1ccccc1OC ZINC000055393422 214316590 /nfs/dbraw/zinc/31/65/90/214316590.db2.gz PMFKSKWCKJUCSH-UHFFFAOYSA-N 1 0 329.440 3.479 50 0 EGAARO CC[C@H](C)[N@H+](Cc1ccsc1)Cc1cccc(OCC(N)=O)c1 ZINC000055343954 214309521 /nfs/dbraw/zinc/30/95/21/214309521.db2.gz WBXKLKQPWNFIID-AWEZNQCLSA-N 1 0 332.469 3.413 50 0 EGAARO CCCCC[NH+]1CCC(Cn2cc([C@@H](O)c3ccccc3)nn2)CC1 ZINC000055413484 214321689 /nfs/dbraw/zinc/32/16/89/214321689.db2.gz OIAQVWVZFSXXGL-FQEVSTJZSA-N 1 0 342.487 3.262 50 0 EGAARO C[C@H](c1cccc(-c2nc3c(cc2C(N)=O)CCC3)c1)[NH+]1CCCC1 ZINC000097805565 219057879 /nfs/dbraw/zinc/05/78/79/219057879.db2.gz WDFVBFKJKYHCOA-CQSZACIVSA-N 1 0 335.451 3.493 50 0 EGAARO O[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000097823344 219059030 /nfs/dbraw/zinc/05/90/30/219059030.db2.gz QEOPXVPAMZADQX-NRFANRHFSA-N 1 0 348.450 3.213 50 0 EGAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccn2C)N3)C1 ZINC000004555319 210220256 /nfs/dbraw/zinc/22/02/56/210220256.db2.gz BKEKMVDYLATVPL-HNNXBMFYSA-N 1 0 330.457 3.282 50 0 EGAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3C[NH+]1CCSCC1 ZINC000061997591 214692011 /nfs/dbraw/zinc/69/20/11/214692011.db2.gz KKBQRPDZWUMLQT-LORHWOILSA-N 1 0 335.513 3.494 50 0 biogenic EGAARO Cc1nn(C)c2nc(N3CCC([C@H](C)[NH+]4CCCC4)CC3)sc12 ZINC000095516942 282285174 /nfs/dbraw/zinc/28/51/74/282285174.db2.gz HTTUQCIFIGAFKV-ZDUSSCGKSA-N 1 0 333.505 3.039 50 0 EGAARO Ic1ccccc1OCCC[NH+]1CCCC1 ZINC000004472867 210196218 /nfs/dbraw/zinc/19/62/18/210196218.db2.gz GIVXPAGYFXVQKL-UHFFFAOYSA-N 1 0 331.197 3.156 50 0 EGAARO COc1cc([C@@H]2[NH2+]CCc3nc[nH]c32)ccc1OCc1ccccc1 ZINC000066088314 215008755 /nfs/dbraw/zinc/00/87/55/215008755.db2.gz YLMLEOWTZVRUAN-IBGZPJMESA-N 1 0 335.407 3.232 50 0 EGAARO CC(C)(C)C(=O)NC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067562096 215161974 /nfs/dbraw/zinc/16/19/74/215161974.db2.gz DCWVVKHDIDOJNN-OAHLLOKOSA-N 1 0 340.471 3.061 50 0 EGAARO CC1CC[NH+](Cc2ccc(C(=O)Nc3cnc4n3CCCC4)o2)CC1 ZINC000067654883 215175878 /nfs/dbraw/zinc/17/58/78/215175878.db2.gz FXMRTLDYSWGISF-UHFFFAOYSA-N 1 0 342.443 3.297 50 0 EGAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1CCn1c2ccccc2oc1=O ZINC000067674425 215179260 /nfs/dbraw/zinc/17/92/60/215179260.db2.gz PSNJJAMXUMRGCU-OAHLLOKOSA-N 1 0 327.384 3.036 50 0 EGAARO CC[C@H]1C=CCN1C(=O)c1cc(C[N@H+](C)CCc2ccccc2)on1 ZINC000067754771 215203221 /nfs/dbraw/zinc/20/32/21/215203221.db2.gz MYSCHJUMOQCXHY-KRWDZBQOSA-N 1 0 339.439 3.140 50 0 EGAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@H](C)CO)CCO2 ZINC000067856312 215233365 /nfs/dbraw/zinc/23/33/65/215233365.db2.gz LECQPXJDURRVJI-AWEZNQCLSA-N 1 0 327.424 3.190 50 0 EGAARO CC(C)[N@@H+]1CCC[C@H](CCNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000067973646 215263447 /nfs/dbraw/zinc/26/34/47/215263447.db2.gz BUEDIQQIVWFUCY-MRXNPFEDSA-N 1 0 327.472 3.337 50 0 EGAARO C[NH+]1CCN(Cc2ccccc2Oc2cccc(-n3cccn3)c2)CC1 ZINC000067955982 215259148 /nfs/dbraw/zinc/25/91/48/215259148.db2.gz WUXKXYIIHQFUJF-UHFFFAOYSA-N 1 0 348.450 3.412 50 0 EGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH2+][C@H](C)C1 ZINC000067981781 215265251 /nfs/dbraw/zinc/26/52/51/215265251.db2.gz SICWBVFMRJTICR-LLVKDONJSA-N 1 0 339.361 3.463 50 0 EGAARO CCOC(=O)c1cccc(C(=O)c2ccc(C[NH+]3CC=CC3)cc2)c1 ZINC000002514889 209860495 /nfs/dbraw/zinc/86/04/95/209860495.db2.gz LRVZXDSPAJSQLV-UHFFFAOYSA-N 1 0 335.403 3.466 50 0 EGAARO CC(C)CC[N@@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@H]1CCO ZINC000104506620 219392013 /nfs/dbraw/zinc/39/20/13/219392013.db2.gz AZFUYQWOXPIEHM-GOSISDBHSA-N 1 0 329.488 3.083 50 0 EGAARO C[NH+](C)CCN(C(=O)C1CCC1)c1nc2c(cc(F)cc2F)s1 ZINC000036642639 213106816 /nfs/dbraw/zinc/10/68/16/213106816.db2.gz MTSIDGDMMVFGCI-UHFFFAOYSA-N 1 0 339.411 3.269 50 0 EGAARO CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000072128066 216019759 /nfs/dbraw/zinc/01/97/59/216019759.db2.gz 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C[NH+](C)CCCN1Cn2c3ccccc3nc2N(Cc2ccccc2)C1 ZINC000009262138 211059822 /nfs/dbraw/zinc/05/98/22/211059822.db2.gz AEFXQYYNHYGJGX-UHFFFAOYSA-N 1 0 349.482 3.225 50 0 EGAARO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(Cn3cccn3)cc1)C2 ZINC000095356624 218290185 /nfs/dbraw/zinc/29/01/85/218290185.db2.gz HVZROISMKZIFCL-LEWJYISDSA-N 1 0 338.499 3.238 50 0 EGAARO O=C([O-])CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095374010 218306394 /nfs/dbraw/zinc/30/63/94/218306394.db2.gz QAEMIWYRZTUKHV-SFHVURJKSA-N 1 0 342.483 3.195 50 0 EGAARO c1ccc2oc(N3CCC([NH2+][C@H]4COC5(CCCC5)C4)CC3)nc2c1 ZINC000095390533 218322994 /nfs/dbraw/zinc/32/29/94/218322994.db2.gz SISWRCPUIHGTRV-MRXNPFEDSA-N 1 0 341.455 3.488 50 0 EGAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000095918201 218449358 /nfs/dbraw/zinc/44/93/58/218449358.db2.gz FJHNZXIUWHIGHW-KRWDZBQOSA-N 1 0 327.424 3.045 50 0 EGAARO Cc1ccc(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c(C)c1 ZINC000005092102 210387864 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CCOc1ccc2nc(CN3CCC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000215372659 535442053 /nfs/dbraw/zinc/44/20/53/535442053.db2.gz TVLJHYDKNBQWQR-SFHVURJKSA-N 1 0 325.456 3.304 50 0 EGAARO [NH3+][C@H]1C[C@@H](c2cc(N3CCC4(CCc5ccccc54)CC3)ncn2)C1 ZINC000218978303 547242066 /nfs/dbraw/zinc/24/20/66/547242066.db2.gz WQZOEFDPPCSCCT-QAQDUYKDSA-N 1 0 334.467 3.166 50 0 EGAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000169751658 564100020 /nfs/dbraw/zinc/10/00/20/564100020.db2.gz BXYBXEVCEZIMPX-UHFFFAOYSA-N 1 0 347.846 3.339 50 0 EGAARO Cc1nc(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cs1 ZINC000012299048 1291131288 /nfs/dbraw/zinc/13/12/88/1291131288.db2.gz FJOINVCNQAWCAJ-OAHLLOKOSA-N 1 0 335.517 3.297 50 0 EGAARO CCCC[N@H+](C)[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 ZINC000014749382 1291143304 /nfs/dbraw/zinc/14/33/04/1291143304.db2.gz WGQIUGNOKJEGIZ-MRXNPFEDSA-N 1 0 346.519 3.118 50 0 EGAARO CC(C)Nc1ncc(-c2nccn2CC2CC[NH+](C(C)C)CC2)cn1 ZINC000071768056 1292268914 /nfs/dbraw/zinc/26/89/14/1292268914.db2.gz 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ZINC000825235606 1320320125 /nfs/dbraw/zinc/32/01/25/1320320125.db2.gz MCZAKXOTHSXYTQ-MRXNPFEDSA-N 1 0 336.570 3.223 50 0 EGAARO CCOc1ccnc(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000952864123 1334582815 /nfs/dbraw/zinc/58/28/15/1334582815.db2.gz IJHZGXXPDOMSOU-HNNXBMFYSA-N 1 0 330.407 3.091 50 0 EGAARO CSc1cccc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCC(=O)N2)c1 ZINC000952868082 1334583565 /nfs/dbraw/zinc/58/35/65/1334583565.db2.gz XZIQOJJAJLXATJ-KRWDZBQOSA-N 1 0 341.480 3.084 50 0 EGAARO CCN1C[C@@H](C[N@H+](C)Cc2cc(C(C)C)c(OC)cc2C)CC1=O ZINC000952868595 1334584253 /nfs/dbraw/zinc/58/42/53/1334584253.db2.gz CPGCBPYYFARYAY-MRXNPFEDSA-N 1 0 332.488 3.427 50 0 EGAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)CC1 ZINC000952975080 1334628239 /nfs/dbraw/zinc/62/82/39/1334628239.db2.gz LWJKZRRMBDFHCH-INIZCTEOSA-N 1 0 349.906 3.497 50 0 EGAARO C[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)n1cccc1 ZINC000952979512 1334628965 /nfs/dbraw/zinc/62/89/65/1334628965.db2.gz OGFDCAHJJXVZHZ-OAHLLOKOSA-N 1 0 327.428 3.161 50 0 EGAARO C[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1cnc(-c2ccco2)nc1 ZINC000952981105 1334630084 /nfs/dbraw/zinc/63/00/84/1334630084.db2.gz CBIWJALSNRIXOC-INIZCTEOSA-N 1 0 348.450 3.273 50 0 EGAARO Cc1ccc(NC2(C(=O)NC[C@H]3CC[N@@H+](C)C3)CCCCC2)cc1 ZINC000952988460 1334631102 /nfs/dbraw/zinc/63/11/02/1334631102.db2.gz QIMFLABOOMKEGF-QGZVFWFLSA-N 1 0 329.488 3.178 50 0 EGAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1cccc(C)n1 ZINC000952988606 1334631560 /nfs/dbraw/zinc/63/15/60/1334631560.db2.gz OMWAOGCKYZNHAL-SFHVURJKSA-N 1 0 341.455 3.463 50 0 EGAARO CN(CCCOc1ccc(Cl)cc1)C(=O)C[N@H+](C)C1CCCC1 ZINC000952990950 1334631930 /nfs/dbraw/zinc/63/19/30/1334631930.db2.gz NODZLLQNEXEDRW-UHFFFAOYSA-N 1 0 338.879 3.442 50 0 EGAARO CC[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC001704339052 1416448878 /nfs/dbraw/zinc/44/88/78/1416448878.db2.gz CGHBLYVFZMRHHS-JKIFEVAISA-N 1 0 339.382 3.381 50 0 EGAARO c1cnn(CCC2CC[NH+](C[C@H]3CC(c4ccccc4)=NO3)CC2)c1 ZINC001704353879 1416453634 /nfs/dbraw/zinc/45/36/34/1416453634.db2.gz UWULUWFNDNXKKP-LJQANCHMSA-N 1 0 338.455 3.178 50 0 EGAARO CC[NH+](CC)C[C@H]1CCCN1c1nnc(CSc2ccncc2)o1 ZINC001772707857 1441417118 /nfs/dbraw/zinc/41/71/18/1441417118.db2.gz XGWNRRRAVLVURD-CQSZACIVSA-N 1 0 347.488 3.068 50 0 EGAARO OC[C@@]12C[N@H+](Cc3cccc4c5ccccc5oc43)C[C@@H]1COCC2 ZINC001772706340 1441417144 /nfs/dbraw/zinc/41/71/44/1441417144.db2.gz YZGYNXKICNQICL-IIBYNOLFSA-N 1 0 337.419 3.417 50 0 EGAARO COc1cc(C)c(C[NH+]2CCC(c3ccn(C)c(=O)c3)CC2)cc1C ZINC001772806104 1441417477 /nfs/dbraw/zinc/41/74/77/1441417477.db2.gz TWORGDXMHFVJHC-UHFFFAOYSA-N 1 0 340.467 3.390 50 0 EGAARO CCSC[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC001772811247 1441417630 /nfs/dbraw/zinc/41/76/30/1441417630.db2.gz UVDWIFMVOOUCER-ZDUSSCGKSA-N 1 0 342.455 3.254 50 0 EGAARO Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000097679951 219046791 /nfs/dbraw/zinc/04/67/91/219046791.db2.gz QUKUHXRJVCKBIO-HXUWFJFHSA-N 1 0 342.462 3.204 50 0 EGAARO COCCOC1CC[NH+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000097733008 219052427 /nfs/dbraw/zinc/05/24/27/219052427.db2.gz KWZVJQBBWNYXAN-UHFFFAOYSA-N 1 0 335.341 3.472 50 0 EGAARO CCc1oc(C(=O)NCc2cc(C3CC3)n[nH]2)cc1C[NH+](CC)CC ZINC000055383233 214314359 /nfs/dbraw/zinc/31/43/59/214314359.db2.gz BGWLXTQVJGVBLQ-UHFFFAOYSA-N 1 0 344.459 3.214 50 0 EGAARO COc1cc(CN(CC[NH+](C)C)Cc2ccsc2)cc2c1OCO2 ZINC000055393582 214318497 /nfs/dbraw/zinc/31/84/97/214318497.db2.gz VVFHKSYFFBCVIU-UHFFFAOYSA-N 1 0 348.468 3.049 50 0 EGAARO CCOc1ccc2nc(C[N@H+](C)[C@H](C)Cc3cnccn3)ccc2c1 ZINC000097784983 219056892 /nfs/dbraw/zinc/05/68/92/219056892.db2.gz ULWZNJXUGZPWRX-OAHLLOKOSA-N 1 0 336.439 3.487 50 0 EGAARO COc1cc(CN2CC[NH+](C3Cc4ccccc4C3)CC2)ccc1F ZINC000097805478 219058147 /nfs/dbraw/zinc/05/81/47/219058147.db2.gz XIECWKPMKIMTAD-UHFFFAOYSA-N 1 0 340.442 3.119 50 0 EGAARO CC[NH+]1CCC(N(CCCO)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000004556367 210220304 /nfs/dbraw/zinc/22/03/04/210220304.db2.gz IRJJNHXJPMKKKX-UHFFFAOYSA-N 1 0 339.867 3.041 50 0 EGAARO CCOc1ccccc1CCNc1nc(CC[NH3+])nc2ccccc21 ZINC000065465515 214921563 /nfs/dbraw/zinc/92/15/63/214921563.db2.gz NCVFMNSQIJGZSO-UHFFFAOYSA-N 1 0 336.439 3.184 50 0 EGAARO COc1ccc(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)c(F)c1 ZINC000102697234 219222947 /nfs/dbraw/zinc/22/29/47/219222947.db2.gz ZIPMWOSRNIPSJF-WDNDVIMCSA-N 1 0 346.402 3.285 50 0 EGAARO c1nc2c([nH]1)[C@@H](Cc1ccccc1)[N@H+](Cc1cccc3nonc31)CC2 ZINC000067642534 215171656 /nfs/dbraw/zinc/17/16/56/215171656.db2.gz JPIBRQPOJUQUKG-GOSISDBHSA-N 1 0 345.406 3.288 50 0 EGAARO C[C@H](CO)[NH2+]Cc1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000067673015 215176938 /nfs/dbraw/zinc/17/69/38/215176938.db2.gz HTGMEWVOFUQEHC-LLVKDONJSA-N 1 0 326.318 3.363 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000067673499 215178971 /nfs/dbraw/zinc/17/89/71/215178971.db2.gz XXDYMLHMOXQHMU-UHFFFAOYSA-N 1 0 348.878 3.295 50 0 EGAARO Nc1nc(-c2ccc(-c3cccc4c3O[C@H](C[NH3+])C4)s2)cs1 ZINC000067769733 215207075 /nfs/dbraw/zinc/20/70/75/215207075.db2.gz RAKJGWMERBYQCW-JTQLQIEISA-N 1 0 329.450 3.383 50 0 EGAARO CSc1ccc2cc(C[N@H+](C)[C@H](C)c3ccncn3)c(=O)[nH]c2c1 ZINC000067884471 215241425 /nfs/dbraw/zinc/24/14/25/215241425.db2.gz FQJKOOHVKPEPQP-GFCCVEGCSA-N 1 0 340.452 3.233 50 0 EGAARO COc1ccc(/C=C/C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)cc1 ZINC000067934423 215253502 /nfs/dbraw/zinc/25/35/02/215253502.db2.gz OHTKZIADWOYLKC-ONEGZZNKSA-N 1 0 338.451 3.395 50 0 EGAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000067964942 215260740 /nfs/dbraw/zinc/26/07/40/215260740.db2.gz BEXMPIKYAOXRFP-INIZCTEOSA-N 1 0 338.459 3.011 50 0 EGAARO COc1ccccc1/C=C/CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039509692 213237534 /nfs/dbraw/zinc/23/75/34/213237534.db2.gz QHBDWZIGYFBVLA-CPSHHHPTSA-N 1 0 344.499 3.020 50 0 EGAARO CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000001016839 209701873 /nfs/dbraw/zinc/70/18/73/209701873.db2.gz MIVUGKLYPJHLAB-AWEZNQCLSA-N 1 0 331.441 3.361 50 0 EGAARO Cc1ccc([C@H]2C[N@H+](Cc3cccnc3N)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072128865 216019847 /nfs/dbraw/zinc/01/98/47/216019847.db2.gz PZFSGNZMPTXRAJ-NJDAHSKKSA-N 1 0 348.494 3.034 50 0 EGAARO c1csc(C[N@H+]2CCCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000072144881 216030657 /nfs/dbraw/zinc/03/06/57/216030657.db2.gz MBDQUKKHQSSKIE-UHFFFAOYSA-N 1 0 344.480 3.227 50 0 EGAARO Cc1ccccc1CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cnn(C)c2)C1 ZINC000072146565 216033921 /nfs/dbraw/zinc/03/39/21/216033921.db2.gz BERIQFHQESTHOI-KRWDZBQOSA-N 1 0 340.471 3.012 50 0 EGAARO CC1(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000072170437 216062654 /nfs/dbraw/zinc/06/26/54/216062654.db2.gz BLDQHVPBBUFYNJ-RCCFBDPRSA-N 1 0 328.431 3.014 50 0 EGAARO COc1cccc(NC(=O)N(CC[NH+](C)C)[C@H](C)c2cccnc2)c1 ZINC000000262117 209507989 /nfs/dbraw/zinc/50/79/89/209507989.db2.gz DSKCUZKZABNRJU-OAHLLOKOSA-N 1 0 342.443 3.247 50 0 EGAARO Clc1ccccc1C1(c2ccnc(NC3CC3)n2)CC[NH2+]CC1 ZINC000072407408 216197738 /nfs/dbraw/zinc/19/77/38/216197738.db2.gz JNWPDMWKSCZLNR-UHFFFAOYSA-N 1 0 328.847 3.374 50 0 EGAARO COc1ccc(C[NH+]2CCC([C@H](C)[NH+]3CCCC3)CC2)cc1C(=O)[O-] ZINC000072422292 216211330 /nfs/dbraw/zinc/21/13/30/216211330.db2.gz VIIRJRJSLZJGIK-HNNXBMFYSA-N 1 0 346.471 3.090 50 0 EGAARO C[NH+]1CCC(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000072425803 216216633 /nfs/dbraw/zinc/21/66/33/216216633.db2.gz SSIBBGOXLQLKEM-MRXNPFEDSA-N 1 0 329.271 3.461 50 0 EGAARO C[C@@H](CNc1cc(-c2ccc(F)cc2)nc2ccnn21)[NH+]1CCCC1 ZINC000072429872 216222051 /nfs/dbraw/zinc/22/20/51/216222051.db2.gz ZZXLTGFMOQQMMO-AWEZNQCLSA-N 1 0 339.418 3.432 50 0 EGAARO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072430549 216223356 /nfs/dbraw/zinc/22/33/56/216223356.db2.gz HWCAGNYPFFGYRH-UHFFFAOYSA-N 1 0 329.488 3.372 50 0 EGAARO Cc1cc(N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)nc(N)[nH+]1 ZINC000072478312 216256616 /nfs/dbraw/zinc/25/66/16/216256616.db2.gz LJAJGSCPMHBSQV-AWEZNQCLSA-N 1 0 332.398 3.495 50 0 EGAARO O=c1cc(-c2cccnc2)nc(-c2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000023478595 212379635 /nfs/dbraw/zinc/37/96/35/212379635.db2.gz QDSUISGOLKTZAS-UHFFFAOYSA-N 1 0 346.434 3.485 50 0 EGAARO Cc1n[nH]c(C)c1C[C@H](C)[NH+]1CCC(n2cc(C(C)(C)C)nn2)CC1 ZINC000023232269 212362412 /nfs/dbraw/zinc/36/24/12/212362412.db2.gz GFQBGIWXOKWONB-ZDUSSCGKSA-N 1 0 344.507 3.184 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000215314656 241117107 /nfs/dbraw/zinc/11/71/07/241117107.db2.gz GOLAQJGLGAZSHF-GOSISDBHSA-N 1 0 342.512 3.295 50 0 EGAARO CN(Cc1cccc(OCc2ccccn2)c1)C[C@]1(C)CC[N@H+](C)C1 ZINC000216131976 241169068 /nfs/dbraw/zinc/16/90/68/241169068.db2.gz NWWJFBYEANCYKY-OAQYLSRUSA-N 1 0 339.483 3.434 50 0 EGAARO CCSc1ncc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)cn1 ZINC000216259053 241176778 /nfs/dbraw/zinc/17/67/78/241176778.db2.gz JQGBHSYFCWSRPV-UHFFFAOYSA-N 1 0 339.468 3.406 50 0 EGAARO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000216427391 241190598 /nfs/dbraw/zinc/19/05/98/241190598.db2.gz RSRZWIOBVBJBTI-INIZCTEOSA-N 1 0 347.418 3.018 50 0 EGAARO CC[C@H](c1ccccn1)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000244748593 243076994 /nfs/dbraw/zinc/07/69/94/243076994.db2.gz OKNBXCQVYKUSGO-OAQYLSRUSA-N 1 0 338.499 3.287 50 0 EGAARO C[C@@H]1C[NH+](CCCCOc2ccc(Cl)cc2C=O)C[C@@H](C)O1 ZINC000020653513 212159929 /nfs/dbraw/zinc/15/99/29/212159929.db2.gz UMLPHBJUUQLEAF-ZIAGYGMSSA-N 1 0 325.836 3.421 50 0 EGAARO C[C@@H]1C[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C[C@@H](C)O1 ZINC000020612355 212154562 /nfs/dbraw/zinc/15/45/62/212154562.db2.gz ATYCRKJZBGDSRF-CTDDYDIDSA-N 1 0 347.499 3.410 50 0 biogenic EGAARO CN(C)CC[NH2+]CCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000020418904 212126956 /nfs/dbraw/zinc/12/69/56/212126956.db2.gz KOGAFXZPYBJCNK-UHFFFAOYSA-N 1 0 332.875 3.461 50 0 EGAARO Cc1ccc2oc(=O)cc(CN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020412429 212126734 /nfs/dbraw/zinc/12/67/34/212126734.db2.gz URHCTQALOPEUFZ-UHFFFAOYSA-N 1 0 348.446 3.419 50 0 EGAARO CSc1ncc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020255233 212114119 /nfs/dbraw/zinc/11/41/19/212114119.db2.gz NIIUUPPOUQKFAT-INIZCTEOSA-N 1 0 346.475 3.092 50 0 EGAARO Cc1ncc2c(c1-c1noc(-c3cc4sccc4[nH]3)n1)CC[NH2+]C2 ZINC000020205643 212112650 /nfs/dbraw/zinc/11/26/50/212112650.db2.gz XJZAHEICURLRFV-UHFFFAOYSA-N 1 0 337.408 3.296 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)c(OC)c1OC ZINC000020109547 212101945 /nfs/dbraw/zinc/10/19/45/212101945.db2.gz ONOFBWYTZFCIRJ-AWEZNQCLSA-N 1 0 345.443 3.124 50 0 EGAARO COc1ccc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC000019894198 212081193 /nfs/dbraw/zinc/08/11/93/212081193.db2.gz SJLWULVPDSDUHH-UHFFFAOYSA-N 1 0 345.487 3.292 50 0 EGAARO C[N@@H+]1CCC[C@H]1CCn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000019790710 212068303 /nfs/dbraw/zinc/06/83/03/212068303.db2.gz QJUXLNTZRZUOOT-SFHVURJKSA-N 1 0 333.439 3.491 50 0 EGAARO COc1ccc(OC)c(CN2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000019781926 212066892 /nfs/dbraw/zinc/06/68/92/212066892.db2.gz JSSMWDVPDATLPK-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 EGAARO CCn1nc(C)cc1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012478039 211391758 /nfs/dbraw/zinc/39/17/58/211391758.db2.gz ZJJIOZMMTKXEPW-MRXNPFEDSA-N 1 0 332.492 3.128 50 0 EGAARO C[NH+](C)CCCN(C(=O)c1ccno1)c1nc2ccc(F)cc2s1 ZINC000012443809 211385076 /nfs/dbraw/zinc/38/50/76/211385076.db2.gz BVGISKSNBQVUGP-UHFFFAOYSA-N 1 0 348.403 3.022 50 0 EGAARO O=C(C1CCCC1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012319883 211343660 /nfs/dbraw/zinc/34/36/60/211343660.db2.gz DFDBWWLDKOCBHW-FQEVSTJZSA-N 1 0 341.499 3.332 50 0 EGAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccccc2)c1 ZINC000012199572 211318608 /nfs/dbraw/zinc/31/86/08/211318608.db2.gz WTHXEYUXMHJYDG-LJQANCHMSA-N 1 0 338.451 3.366 50 0 EGAARO O=C1CC[N@@H+](CCCc2ccccc2)CCN1Cc1ccccc1F ZINC000012218661 211322799 /nfs/dbraw/zinc/32/27/99/211322799.db2.gz JHZGVMGHEVDKEP-UHFFFAOYSA-N 1 0 340.442 3.493 50 0 EGAARO Cc1cc(C)n(CCC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)n1 ZINC000012075968 211286415 /nfs/dbraw/zinc/28/64/15/211286415.db2.gz OGZRXIVFDAVERV-SFHVURJKSA-N 1 0 346.519 3.193 50 0 EGAARO OCCC[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000012019937 211279259 /nfs/dbraw/zinc/27/92/59/211279259.db2.gz ZRRRRNAQGMMURP-CYBMUJFWSA-N 1 0 335.835 3.375 50 0 EGAARO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CCSCC2)C1 ZINC000012001991 211277419 /nfs/dbraw/zinc/27/74/19/211277419.db2.gz VHNVRTFFEMGIGK-GOSISDBHSA-N 1 0 341.467 3.477 50 0 EGAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)c(C)n1 ZINC000011951935 211273553 /nfs/dbraw/zinc/27/35/53/211273553.db2.gz HOXQPKMFMSGWKJ-KRWDZBQOSA-N 1 0 341.455 3.315 50 0 EGAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000011937711 211272192 /nfs/dbraw/zinc/27/21/92/211272192.db2.gz CUZYGVILJLAUID-OAQYLSRUSA-N 1 0 338.451 3.470 50 0 EGAARO O=C1N(C2CCCCC2)CCC[C@@]12CC[N@H+](Cc1ccncc1)C2 ZINC000091486443 218013130 /nfs/dbraw/zinc/01/31/30/218013130.db2.gz OQUXPOJNKXDTAG-FQEVSTJZSA-N 1 0 327.472 3.229 50 0 EGAARO CC(C)N1CCC[C@]2(CC[N@H+](CCCOCc3ccccc3)C2)C1=O ZINC000091620324 218032500 /nfs/dbraw/zinc/03/25/00/218032500.db2.gz PNWGYTOVSSONGK-OAQYLSRUSA-N 1 0 344.499 3.316 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000011821635 211251696 /nfs/dbraw/zinc/25/16/96/211251696.db2.gz JWWAXMCHRZVNGZ-LJQANCHMSA-N 1 0 329.488 3.191 50 0 EGAARO CSCCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000011720299 211240150 /nfs/dbraw/zinc/24/01/50/211240150.db2.gz MSPKTGDRTPFRJC-UHFFFAOYSA-N 1 0 334.529 3.153 50 0 EGAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CC(=O)N(C3CCCCCC3)C2)cc1 ZINC000011816758 211249801 /nfs/dbraw/zinc/24/98/01/211249801.db2.gz ICWTZVQZIDSESG-SFHVURJKSA-N 1 0 343.471 3.058 50 0 EGAARO c1ccc(C2(c3ccccc3)CCC[N@@H+](C[C@H]3COCCO3)C2)cc1 ZINC000091655822 218041243 /nfs/dbraw/zinc/04/12/43/218041243.db2.gz CRDOBPRLVFBCJJ-NRFANRHFSA-N 1 0 337.463 3.484 50 0 EGAARO Cc1cccc(Cl)c1OCCNC(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000091664322 218043172 /nfs/dbraw/zinc/04/31/72/218043172.db2.gz JZUABLCARHEPPK-HNNXBMFYSA-N 1 0 338.879 3.265 50 0 EGAARO COCCN(Cc1ccccc1C)C(=O)CC[C@H]1CCC[N@H+](C)C1 ZINC000091663960 218043286 /nfs/dbraw/zinc/04/32/86/218043286.db2.gz LSLKXRNHBAPIGC-GOSISDBHSA-N 1 0 332.488 3.092 50 0 EGAARO CC(C)(C)C[NH+]1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000091830812 218073221 /nfs/dbraw/zinc/07/32/21/218073221.db2.gz UZDJIBXJARGBSB-UHFFFAOYSA-N 1 0 342.491 3.083 50 0 EGAARO CC(C)[C@@H]1C[C@@](CC(=O)NCC[NH+](C)C)(Cc2ccccc2)CCO1 ZINC000009576316 211104221 /nfs/dbraw/zinc/10/42/21/211104221.db2.gz HGFFXCQYWZSSNI-FPOVZHCZSA-N 1 0 346.515 3.118 50 0 EGAARO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccc4nonc42)C3)cc1 ZINC000095358000 218292396 /nfs/dbraw/zinc/29/23/96/218292396.db2.gz FKDJOEFLVXEYNH-PKOBYXMFSA-N 1 0 348.450 3.319 50 0 EGAARO Cc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n1 ZINC000095375849 218308575 /nfs/dbraw/zinc/30/85/75/218308575.db2.gz VDGWBQBPSKYSBC-RTBURBONSA-N 1 0 335.451 3.127 50 0 EGAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](CCC(=O)NC2CCCCC2)C1 ZINC000095378423 218311419 /nfs/dbraw/zinc/31/14/19/218311419.db2.gz UNXGXRAIWWJAAN-KRWDZBQOSA-N 1 0 346.519 3.482 50 0 EGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1n[nH]c3ccccc31)C2 ZINC000095391349 218323035 /nfs/dbraw/zinc/32/30/35/218323035.db2.gz JBQZRTRGQNAESK-HZPDHXFCSA-N 1 0 338.455 3.066 50 0 EGAARO CC(C)[NH+]1CCC(CC(=O)NC[C@H]2CCc3ccccc3O2)CC1 ZINC000095384216 218315552 /nfs/dbraw/zinc/31/55/52/218315552.db2.gz DYEWHHGADKTXQL-GOSISDBHSA-N 1 0 330.472 3.007 50 0 EGAARO O=C(COc1ccccc1F)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008862651 211012676 /nfs/dbraw/zinc/01/26/76/211012676.db2.gz AHUNNLUYLRMHCK-INIZCTEOSA-N 1 0 348.443 3.219 50 0 EGAARO COc1cc(OC)cc(C(=O)N2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000005022462 210365888 /nfs/dbraw/zinc/36/58/88/210365888.db2.gz SFZXOHTWJUWBSV-UHFFFAOYSA-N 1 0 346.471 3.184 50 0 EGAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000097601151 219040251 /nfs/dbraw/zinc/04/02/51/219040251.db2.gz PBUTUGJCAAPQFV-LJQANCHMSA-N 1 0 338.451 3.224 50 0 EGAARO COc1ccc(OCCC[NH3+])c(C(=O)N[C@H](C)C2=CCCCC2)c1 ZINC000299784469 258091937 /nfs/dbraw/zinc/09/19/37/258091937.db2.gz GVHQMIHTHLRFDH-CQSZACIVSA-N 1 0 332.444 3.042 50 0 EGAARO CCCC[N@@H+]1CCn2nc(CNc3nc(C)nc(C)c3CC)cc2C1 ZINC000299800137 258103556 /nfs/dbraw/zinc/10/35/56/258103556.db2.gz WIDMYQBEAMJNLU-UHFFFAOYSA-N 1 0 342.491 3.080 50 0 EGAARO Cc1ccccc1C[NH+]1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000057598760 258061751 /nfs/dbraw/zinc/06/17/51/258061751.db2.gz UEARAADAGHMJCO-UHFFFAOYSA-N 1 0 346.478 3.499 50 0 EGAARO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(C)c1C ZINC000299759680 258076934 /nfs/dbraw/zinc/07/69/34/258076934.db2.gz MPIUXTHXUBENBL-YZGWKJHDSA-N 1 0 333.472 3.470 50 0 EGAARO C[C@H](CN1C(=O)CC[C@H]1CC[NH2+]Cc1ccncc1)c1ccccc1 ZINC000299768083 258082071 /nfs/dbraw/zinc/08/20/71/258082071.db2.gz HPSGXTHVEIEWBA-XLIONFOSSA-N 1 0 337.467 3.356 50 0 EGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC000072149820 274145406 /nfs/dbraw/zinc/14/54/06/274145406.db2.gz LZAKYYACUUACBZ-OAQYLSRUSA-N 1 0 336.435 3.205 50 0 EGAARO Cc1c2cc(F)ccc2[nH]c1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000019938910 274667443 /nfs/dbraw/zinc/66/74/43/274667443.db2.gz NQJICUNREGEXIH-HNNXBMFYSA-N 1 0 339.418 3.164 50 0 EGAARO c1ccc(CC[NH+]2CCC([C@@H]3CCN(c4ncccn4)C3)CC2)cc1 ZINC000072141869 275066739 /nfs/dbraw/zinc/06/67/39/275066739.db2.gz WIBXOGSISUETIJ-HXUWFJFHSA-N 1 0 336.483 3.258 50 0 EGAARO Cn1c(-c2ccc(I)cc2)c[n+]2ccccc12 ZINC000000387433 280180875 /nfs/dbraw/zinc/18/08/75/280180875.db2.gz JQNZXFSGARDRLN-UHFFFAOYSA-N 1 0 335.168 3.035 50 0 EGAARO Cc1cc(Br)c(C[NH2+][C@H](CO)[C@@H]2CCCO2)cc1Cl ZINC000449291750 310050647 /nfs/dbraw/zinc/05/06/47/310050647.db2.gz ACHGPGSHZRQWFT-KGLIPLIRSA-N 1 0 348.668 3.040 50 0 EGAARO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000449428936 310061258 /nfs/dbraw/zinc/06/12/58/310061258.db2.gz UNUQMOJLRZRNNW-HKUYNNGSSA-N 1 0 326.440 3.350 50 0 EGAARO OC1(c2ccc(Cl)cc2)CCN(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000240936852 455265687 /nfs/dbraw/zinc/26/56/87/455265687.db2.gz SEVYURZSLXVLEK-MAUKXSAKSA-N 1 0 334.891 3.108 50 0 EGAARO c1ccc(C2=NO[C@H](CN3CCC[N@@H+](C4CCCC4)CC3)C2)cc1 ZINC000243893645 455273622 /nfs/dbraw/zinc/27/36/22/455273622.db2.gz ASYHSUCWYXFYJU-IBGZPJMESA-N 1 0 327.472 3.130 50 0 EGAARO O=C(CC[NH+]1CCc2ccccc2CC1)c1ccc2c(c1)OCCO2 ZINC000000177679 452529290 /nfs/dbraw/zinc/52/92/90/452529290.db2.gz ZCDKQGFVOBMWRO-UHFFFAOYSA-N 1 0 337.419 3.131 50 0 EGAARO COc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000000189264 452530528 /nfs/dbraw/zinc/53/05/28/452530528.db2.gz AWPDVLXZHUFYBN-BFUOFWGJSA-N 1 0 329.396 3.022 50 0 biogenic EGAARO COc1cc(CN2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC ZINC000000277328 452551849 /nfs/dbraw/zinc/55/18/49/452551849.db2.gz LMNQMXJENKZBTM-UHFFFAOYSA-N 1 0 348.487 3.163 50 0 EGAARO O[C@@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000000425748 452586631 /nfs/dbraw/zinc/58/66/31/452586631.db2.gz CHEOADNODASKGW-HXUWFJFHSA-N 1 0 325.407 3.476 50 0 EGAARO CC[C@]12CCC[N@@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000000525687 452614131 /nfs/dbraw/zinc/61/41/31/452614131.db2.gz GIGFIWJRTMBSRP-ACRUOGEOSA-N 1 0 338.451 3.445 50 0 biogenic EGAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2c3cc(OC)ccc3[nH]c21 ZINC000000539022 452618891 /nfs/dbraw/zinc/61/88/91/452618891.db2.gz FGELTPHDICPODX-LBPRGKRZSA-N 1 0 325.416 3.016 50 0 EGAARO CCOc1cc(C[NH2+]CCO)ccc1OCc1ccc(Cl)cc1 ZINC000002845954 452729939 /nfs/dbraw/zinc/72/99/39/452729939.db2.gz SOVVDEPLUNEQOL-UHFFFAOYSA-N 1 0 335.831 3.400 50 0 EGAARO Cc1cc(Cl)cc(Br)c1OCCC[NH2+]C[C@H](C)O ZINC000002881451 452734341 /nfs/dbraw/zinc/73/43/41/452734341.db2.gz SDUQVCKXWVACFN-JTQLQIEISA-N 1 0 336.657 3.150 50 0 EGAARO COc1ccccc1[N+]1=C2CCCCCN2[C@](O)(c2ccccc2)C1 ZINC000002974496 452738333 /nfs/dbraw/zinc/73/83/33/452738333.db2.gz VJYHANIIYPULAK-OAQYLSRUSA-N 1 0 337.443 3.346 50 0 EGAARO COCC[NH2+]CCCCOc1ccc(Br)cc1Cl ZINC000003000490 452740643 /nfs/dbraw/zinc/74/06/43/452740643.db2.gz XIEGIEVVVOJHRO-UHFFFAOYSA-N 1 0 336.657 3.498 50 0 EGAARO CC[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000003977898 452788460 /nfs/dbraw/zinc/78/84/60/452788460.db2.gz LJOQGZACKSYWCH-SMHQJORMSA-N 1 0 326.440 3.397 50 0 world EGAARO CC(=O)CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012572882 453375574 /nfs/dbraw/zinc/37/55/74/453375574.db2.gz PJAGYRPZIMUDAJ-IBGZPJMESA-N 1 0 344.499 3.077 50 0 EGAARO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](CCCSC)CC1 ZINC000012570350 453375819 /nfs/dbraw/zinc/37/58/19/453375819.db2.gz VOPOZGXGGXWOHX-MRXNPFEDSA-N 1 0 343.533 3.344 50 0 EGAARO COc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000013011445 453438416 /nfs/dbraw/zinc/43/84/16/453438416.db2.gz LZZWSTOYBZVUIF-QGZVFWFLSA-N 1 0 330.453 3.324 50 0 EGAARO Cc1cc2c(nc1C)sc1c2ncn(CC[NH+]2CCCCC2)c1=O ZINC000013724607 453483701 /nfs/dbraw/zinc/48/37/01/453483701.db2.gz ZZIYCGRCPURNCD-UHFFFAOYSA-N 1 0 342.468 3.109 50 0 EGAARO COc1cccc(CC[C@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000015064796 453552818 /nfs/dbraw/zinc/55/28/18/453552818.db2.gz FEFDSDZKJUYBMY-LJQANCHMSA-N 1 0 344.499 3.351 50 0 EGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3F)cc2)CC1 ZINC000015613267 453580381 /nfs/dbraw/zinc/58/03/81/453580381.db2.gz DIEJDFOVKZEFMY-UHFFFAOYSA-N 1 0 347.821 3.483 50 0 EGAARO O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000015831510 453586181 /nfs/dbraw/zinc/58/61/81/453586181.db2.gz YIXFAXYSUGBUQE-QGZVFWFLSA-N 1 0 334.435 3.072 50 0 EGAARO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015860058 453587531 /nfs/dbraw/zinc/58/75/31/453587531.db2.gz ACHIZILQJCGMFU-SFHVURJKSA-N 1 0 342.439 3.491 50 0 EGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCCOc2ccc(C)cc2OC)C1 ZINC000016527062 453611085 /nfs/dbraw/zinc/61/10/85/453611085.db2.gz MYSIEIRLSUKPNS-QGZVFWFLSA-N 1 0 349.471 3.438 50 0 EGAARO CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000016605102 453616165 /nfs/dbraw/zinc/61/61/65/453616165.db2.gz JDMOMLQYONPFNZ-INIZCTEOSA-N 1 0 338.879 3.325 50 0 EGAARO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000018323717 453650284 /nfs/dbraw/zinc/65/02/84/453650284.db2.gz KJISFIHAFDNXCG-YJBOKZPZSA-N 1 0 344.455 3.372 50 0 EGAARO CCn1c(C)cc(O)c([C@@H](c2cccnc2)[NH+]2CCC(C)CC2)c1=O ZINC000022697443 453696906 /nfs/dbraw/zinc/69/69/06/453696906.db2.gz HEOYAAYLBSVADQ-LJQANCHMSA-N 1 0 341.455 3.099 50 0 EGAARO C[NH+]1CCN(c2ccc(NC(=S)Nc3ccccc3)cc2)CC1 ZINC000023102910 453704981 /nfs/dbraw/zinc/70/49/81/453704981.db2.gz DNYVRNYVRQYTAJ-UHFFFAOYSA-N 1 0 326.469 3.247 50 0 EGAARO O=C(COc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027584133 453819243 /nfs/dbraw/zinc/81/92/43/453819243.db2.gz UQKDNKFSLHVMPX-MRXNPFEDSA-N 1 0 330.453 3.080 50 0 EGAARO O=C(COc1ccc(F)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027664243 453819760 /nfs/dbraw/zinc/81/97/60/453819760.db2.gz XTKDDLBUCGBNRM-MRXNPFEDSA-N 1 0 348.443 3.219 50 0 EGAARO Cn1c(C(=O)N2CCCC[C@H]([NH+](C)C)C2)ccc1-c1ccccc1 ZINC000082098616 453924227 /nfs/dbraw/zinc/92/42/27/453924227.db2.gz DPTRNSOZIQZRHT-KRWDZBQOSA-N 1 0 325.456 3.248 50 0 EGAARO CCCc1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)no1 ZINC000082161063 453926840 /nfs/dbraw/zinc/92/68/40/453926840.db2.gz FMVOOKIYLHPSJI-SFHVURJKSA-N 1 0 327.428 3.194 50 0 EGAARO CC(C)n1cnnc1CN(C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077287527 454085657 /nfs/dbraw/zinc/08/56/57/454085657.db2.gz VGEVWLYKVNDGPF-UHFFFAOYSA-N 1 0 333.505 3.148 50 0 EGAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)c1ncnc2[nH]ccc21 ZINC000077301258 454087688 /nfs/dbraw/zinc/08/76/88/454087688.db2.gz CKXFNCHEYRCMAD-UHFFFAOYSA-N 1 0 335.455 3.306 50 0 EGAARO C(c1nnc(C2CC[NH+](C3CCCC3)CC2)n1C1CC1)N1CCCC1 ZINC000077408277 454102801 /nfs/dbraw/zinc/10/28/01/454102801.db2.gz JQQHGVAWXWVRNH-UHFFFAOYSA-N 1 0 343.519 3.331 50 0 EGAARO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000077505835 454115487 /nfs/dbraw/zinc/11/54/87/454115487.db2.gz NPXDSLAKLSAYRM-GOSISDBHSA-N 1 0 327.476 3.097 50 0 EGAARO CCC[NH+]1CCC(CC(=O)NCc2cccc(N3CCCC3)c2)CC1 ZINC000095376922 454198315 /nfs/dbraw/zinc/19/83/15/454198315.db2.gz RAMJNEJTNDMXRI-UHFFFAOYSA-N 1 0 343.515 3.415 50 0 EGAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000071416235 454206784 /nfs/dbraw/zinc/20/67/84/454206784.db2.gz GONZKUHAYJVVCO-HNNXBMFYSA-N 1 0 338.442 3.478 50 0 EGAARO CC(C)[C@H]1CN(C(=O)c2n[nH]c3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071746102 454212338 /nfs/dbraw/zinc/21/23/38/454212338.db2.gz ZQOBJCWGHVQSPA-GOSISDBHSA-N 1 0 340.471 3.145 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(C)C)nn1-c1ccccc1 ZINC000095473109 454219611 /nfs/dbraw/zinc/21/96/11/454219611.db2.gz WPTINIYUVHXKRJ-QGZVFWFLSA-N 1 0 340.471 3.210 50 0 EGAARO C[N@H+](CCc1noc(C2CC2)n1)C[C@@H]1CCOc2ccccc2C1 ZINC000095511331 454225123 /nfs/dbraw/zinc/22/51/23/454225123.db2.gz UADYMIYRTNSDSD-CQSZACIVSA-N 1 0 327.428 3.063 50 0 EGAARO Cc1nn(C)c2nc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)sc12 ZINC000095527890 454228573 /nfs/dbraw/zinc/22/85/73/454228573.db2.gz 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COc1cccc2ccc(CN3CC([N@@H+]4CCCC[C@@H]4C)C3)nc21 ZINC000252499081 455815395 /nfs/dbraw/zinc/81/53/95/455815395.db2.gz RVGPBCWETSQOFV-HNNXBMFYSA-N 1 0 325.456 3.302 50 0 EGAARO CCn1ccc2c1cccc2C[N@H+](CCOC)C1CCN(C)CC1 ZINC000222873365 456051847 /nfs/dbraw/zinc/05/18/47/456051847.db2.gz AHCWVGAQYZPYRX-UHFFFAOYSA-N 1 0 329.488 3.204 50 0 EGAARO CC[NH+]1CCN(CCCOc2cc(Br)ccc2C)CC1 ZINC000230533343 456138911 /nfs/dbraw/zinc/13/89/11/456138911.db2.gz NLPLPFKCYFLPSK-UHFFFAOYSA-N 1 0 341.293 3.164 50 0 EGAARO Cc1ccc(CCNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000426372545 457813701 /nfs/dbraw/zinc/81/37/01/457813701.db2.gz YPQPDLCVDAWGNE-SFHVURJKSA-N 1 0 341.455 3.046 50 0 EGAARO Cc1ccc(-c2cccc(C(=O)NCC3([NH+](C)C)CCOCC3)c2)o1 ZINC000426533733 457851046 /nfs/dbraw/zinc/85/10/46/457851046.db2.gz FHVNKMQOBZDMKI-UHFFFAOYSA-N 1 0 342.439 3.096 50 0 EGAARO Cc1ncsc1CCCNC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000426716156 457883868 /nfs/dbraw/zinc/88/38/68/457883868.db2.gz SAFXWUJKRRBFQH-UHFFFAOYSA-N 1 0 326.425 3.204 50 0 EGAARO Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000558110665 459132173 /nfs/dbraw/zinc/13/21/73/459132173.db2.gz QSIQBYQCLVKAGI-SFHVURJKSA-N 1 0 331.843 3.446 50 0 EGAARO CCC[NH+]1CCC(CNC(=O)N(C)[C@H](C)Cc2ncccc2C)CC1 ZINC000534637733 459340561 /nfs/dbraw/zinc/34/05/61/459340561.db2.gz HBKMQAZVDOJBBM-QGZVFWFLSA-N 1 0 346.519 3.084 50 0 EGAARO C[C@@H](C[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1)NC(=O)OC(C)(C)C ZINC000497145618 459458558 /nfs/dbraw/zinc/45/85/58/459458558.db2.gz KNZDRNCXWXBSCA-STQMWFEESA-N 1 0 332.448 3.344 50 0 EGAARO COc1c(N)cc[nH+]c1-c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000584894279 459819524 /nfs/dbraw/zinc/81/95/24/459819524.db2.gz UPBHHMQOLJWKJH-UHFFFAOYSA-N 1 0 325.412 3.356 50 0 EGAARO O=C(NCc1ccc(Cl)cc1)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150060 459830920 /nfs/dbraw/zinc/83/09/20/459830920.db2.gz PGZCWDGGWWTTMW-MRXNPFEDSA-N 1 0 349.887 3.475 50 0 EGAARO C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1)c1ccccc1 ZINC000613567009 460998649 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Cc1cc(C)cc(-c2nn3c(nnc3[C@H]3CCC[N@@H+](C)C3)s2)c1 ZINC000823771455 1320205572 /nfs/dbraw/zinc/20/55/72/1320205572.db2.gz LAZNZSCKHBMLMK-ZDUSSCGKSA-N 1 0 327.457 3.279 50 0 EGAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1cncc(Cl)c1 ZINC000825607451 1320349334 /nfs/dbraw/zinc/34/93/34/1320349334.db2.gz XQIHLTNPNDGLKD-UHFFFAOYSA-N 1 0 349.887 3.439 50 0 EGAARO Cc1ccsc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC000826630302 1320392589 /nfs/dbraw/zinc/39/25/89/1320392589.db2.gz KSWYXSLTNQHHTQ-AWEZNQCLSA-N 1 0 347.459 3.233 50 0 EGAARO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+](Cc1ccncc1)C[C@@H]1CCC(=O)N1)=CC2 ZINC000952860045 1334583323 /nfs/dbraw/zinc/58/33/23/1334583323.db2.gz AVRMKHZAUMNJTE-FHWLQOOXSA-N 1 0 339.483 3.155 50 0 EGAARO CC(C)C1=NO[C@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000952869260 1334583866 /nfs/dbraw/zinc/58/38/66/1334583866.db2.gz ZBJXQASHMFFLRS-SFHVURJKSA-N 1 0 329.444 3.412 50 0 EGAARO CC(C)NC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)C2CCCCC2)cc1 ZINC000952966512 1334626278 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50 0 EGAARO CCc1oc(C(=O)NCc2c(C)noc2C)cc1C[NH+](CC)CC ZINC001704352655 1416453166 /nfs/dbraw/zinc/45/31/66/1416453166.db2.gz BYFUPDUPCNCETE-UHFFFAOYSA-N 1 0 333.432 3.219 50 0 EGAARO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCc2ccccn2)nc1 ZINC001704357668 1416455073 /nfs/dbraw/zinc/45/50/73/1416455073.db2.gz VMSSULLIASHMEH-SFHVURJKSA-N 1 0 338.455 3.211 50 0 EGAARO CC[N@@H+]1CCCC[C@@H]1CNc1nnc(CSc2ccncc2)o1 ZINC001772808105 1441417403 /nfs/dbraw/zinc/41/74/03/1441417403.db2.gz ZFTNAXKUQVRAOM-CYBMUJFWSA-N 1 0 333.461 3.043 50 0 EGAARO Cc1cccc(-c2nccn2C2CC[NH+](C3CCOCC3)CC2)n1 ZINC001772815926 1441417684 /nfs/dbraw/zinc/41/76/84/1441417684.db2.gz CVZZZVLASWYWEH-UHFFFAOYSA-N 1 0 326.444 3.069 50 0 EGAARO CCC[NH+](CCC)Cc1ccc(C(=O)NCc2nccn2CC)cc1 ZINC000055120467 214276933 /nfs/dbraw/zinc/27/69/33/214276933.db2.gz UOJSNGHLCMZKDC-UHFFFAOYSA-N 1 0 342.487 3.455 50 0 EGAARO Cc1n[nH]c(C)c1CCCN(C)C(=O)CC[NH+]1CCCCCCC1 ZINC000055133132 214277366 /nfs/dbraw/zinc/27/73/66/214277366.db2.gz PNKLWHICBRBKMT-UHFFFAOYSA-N 1 0 334.508 3.074 50 0 EGAARO CSc1nnc(CC2CC[NH+](C/C=C/c3ccco3)CC2)n1C ZINC000055167087 214282190 /nfs/dbraw/zinc/28/21/90/214282190.db2.gz BOFKEGCMOACCSS-HWKANZROSA-N 1 0 332.473 3.098 50 0 EGAARO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000055291929 214302754 /nfs/dbraw/zinc/30/27/54/214302754.db2.gz VJBXFPPXNUUSRS-UHFFFAOYSA-N 1 0 338.451 3.412 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1c2ccccc2nn1C ZINC000055414456 214322135 /nfs/dbraw/zinc/32/21/35/214322135.db2.gz YLGGIGUBJKTQES-OAHLLOKOSA-N 1 0 329.469 3.408 50 0 EGAARO c1ccc(-n2nc(C3CCOCC3)nc2[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000097805538 219058166 /nfs/dbraw/zinc/05/81/66/219058166.db2.gz OTUUXTPESQNOEP-QGZVFWFLSA-N 1 0 338.455 3.018 50 0 EGAARO CCc1ccc(OCCOC[C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000004279158 210159129 /nfs/dbraw/zinc/15/91/29/210159129.db2.gz NHFRKZJOLJSRBO-LJQANCHMSA-N 1 0 335.488 3.270 50 0 EGAARO Cc1cc(Cl)ccc1OCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004192134 210142176 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Cc1cccc(NC(=O)NC[C@@H]2CCCN(Cc3c[nH]cn3)C2)c1C ZINC000067757542 215205060 /nfs/dbraw/zinc/20/50/60/215205060.db2.gz NNMGMKQUFHUDKJ-INIZCTEOSA-N 1 0 341.459 3.060 50 0 EGAARO COc1ccc2c(C)nc(N3CC([N@@H+]4CCCC[C@H]4C)C3)nc2c1 ZINC000067806003 215218167 /nfs/dbraw/zinc/21/81/67/215218167.db2.gz IIVQFFKDOMWSDQ-CYBMUJFWSA-N 1 0 326.444 3.010 50 0 EGAARO Cc1ccncc1C(=O)NC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067872562 215237755 /nfs/dbraw/zinc/23/77/55/215237755.db2.gz AJVFHWSXWIZNKA-INIZCTEOSA-N 1 0 348.450 3.123 50 0 EGAARO O[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067895827 215244439 /nfs/dbraw/zinc/24/44/39/215244439.db2.gz JQOAWOXHBOMSAG-DLBZAZTESA-N 1 0 345.826 3.419 50 0 EGAARO c1nnc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C1CCCCC1 ZINC000067910374 215248151 /nfs/dbraw/zinc/24/81/51/215248151.db2.gz YAASRZBTSRPXAI-GOSISDBHSA-N 1 0 339.487 3.147 50 0 EGAARO CSc1cccc(CNC(=O)C2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000039430131 213235922 /nfs/dbraw/zinc/23/59/22/213235922.db2.gz 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CCC[C@]1(CO)CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000091412216 218002078 /nfs/dbraw/zinc/00/20/78/218002078.db2.gz OTXUQMMSOPYKHL-FQEVSTJZSA-N 1 0 327.472 3.306 50 0 EGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CSc1ccncc1)C2 ZINC000091452632 218008698 /nfs/dbraw/zinc/00/86/98/218008698.db2.gz JBNXUTJDADEVGO-IAGOWNOFSA-N 1 0 345.512 3.063 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091518871 218016329 /nfs/dbraw/zinc/01/63/29/218016329.db2.gz HLJKIMSYOXMYEQ-ZDUSSCGKSA-N 1 0 329.419 3.138 50 0 EGAARO O=C1NCCC[C@]12CC[N@H+](Cc1ccccc1OC1CCCC1)C2 ZINC000091535379 218019262 /nfs/dbraw/zinc/01/92/62/218019262.db2.gz NSXZJQWWNPNTMN-HXUWFJFHSA-N 1 0 328.456 3.110 50 0 EGAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000091650136 218039534 /nfs/dbraw/zinc/03/95/34/218039534.db2.gz AYLIOUSNOPYAAR-UHFFFAOYSA-N 1 0 348.450 3.451 50 0 EGAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000011665201 211231560 /nfs/dbraw/zinc/23/15/60/211231560.db2.gz 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3.320 50 0 EGAARO Cc1ccc2c(c1)c1c3n2CCN(C(=O)C[NH+]2CCCC2)[C@@H]3CCC1 ZINC000000818415 452637642 /nfs/dbraw/zinc/63/76/42/452637642.db2.gz TVVFLBVCRNYTGJ-LJQANCHMSA-N 1 0 337.467 3.265 50 0 EGAARO COc1cc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1 ZINC000002750665 452717798 /nfs/dbraw/zinc/71/77/98/452717798.db2.gz UQZOCNRCSXWGDW-UHFFFAOYSA-N 1 0 347.411 3.019 50 0 EGAARO COc1cccc(C(=O)N2CCC([N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000002735037 452719319 /nfs/dbraw/zinc/71/93/19/452719319.db2.gz ACOMVHBPRUSGRJ-IYBDPMFKSA-N 1 0 330.472 3.278 50 0 EGAARO CC[NH+](CC)CCCNC(=S)Nc1ccc(Br)cc1 ZINC000002886749 452733385 /nfs/dbraw/zinc/73/33/85/452733385.db2.gz VGKCPRBLOFITDA-UHFFFAOYSA-N 1 0 344.322 3.467 50 0 EGAARO COc1ccccc1CC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000002903243 452733809 /nfs/dbraw/zinc/73/38/09/452733809.db2.gz WYVJHSOPGQCRHR-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 EGAARO CCCC[NH2+]CCCOc1ccc(I)cc1 ZINC000002903146 452734191 /nfs/dbraw/zinc/73/41/91/452734191.db2.gz PUKIJSWCLKOXNT-UHFFFAOYSA-N 1 0 333.213 3.450 50 0 EGAARO COCC[NH2+]CCCCOc1ccc(Cl)cc1Br ZINC000003000757 452739238 /nfs/dbraw/zinc/73/92/38/452739238.db2.gz VBBKEHPLZLNREY-UHFFFAOYSA-N 1 0 336.657 3.498 50 0 EGAARO Cc1nc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000005625748 452888985 /nfs/dbraw/zinc/88/89/85/452888985.db2.gz AFSNKPMNFVVUBO-UHFFFAOYSA-N 1 0 348.450 3.266 50 0 EGAARO C/C=C/c1ccc(OCC[N@H+]2CCC[C@@H](C(=O)OCC)C2)c(OC)c1 ZINC000006727608 452978304 /nfs/dbraw/zinc/97/83/04/452978304.db2.gz XPVNXSSVKLVVCF-BBOMDTFKSA-N 1 0 347.455 3.382 50 0 EGAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CC(=O)N(C3CCCCCC3)C2)cc1 ZINC000011816759 453335177 /nfs/dbraw/zinc/33/51/77/453335177.db2.gz ICWTZVQZIDSESG-GOSISDBHSA-N 1 0 343.471 3.058 50 0 EGAARO O[C@@H]1CCCN(c2ncccc2C[NH2+]Cc2ccc(Cl)s2)C1 ZINC000012597745 453380666 /nfs/dbraw/zinc/38/06/66/453380666.db2.gz AYTHQCABVBVJJM-CYBMUJFWSA-N 1 0 337.876 3.047 50 0 EGAARO CCCC(=O)N(C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000012705321 453392617 /nfs/dbraw/zinc/39/26/17/453392617.db2.gz SBCDZXKWGAUFDP-UHFFFAOYSA-N 1 0 332.488 3.208 50 0 EGAARO C/C(=C\c1ccccc1)C[N@H+]1CCC(=O)N(Cc2cccnc2)CC1 ZINC000012726563 453394870 /nfs/dbraw/zinc/39/48/70/453394870.db2.gz LADKETVLMMDBRO-NBVRZTHBSA-N 1 0 335.451 3.219 50 0 EGAARO Cc1c(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cnn1C ZINC000012751555 453398202 /nfs/dbraw/zinc/39/82/02/453398202.db2.gz AOLIWTUXHOISAD-LLVKDONJSA-N 1 0 345.397 3.352 50 0 EGAARO c1cnc(Oc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)nc1 ZINC000013731603 453485316 /nfs/dbraw/zinc/48/53/16/453485316.db2.gz PIELYYQZXAUIIC-UHFFFAOYSA-N 1 0 335.363 3.287 50 0 EGAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCC(C)C ZINC000014749824 453543539 /nfs/dbraw/zinc/54/35/39/453543539.db2.gz YFJYNHARFMYCGB-INIZCTEOSA-N 1 0 337.508 3.338 50 0 EGAARO S=C(NC1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016221359 453597926 /nfs/dbraw/zinc/59/79/26/453597926.db2.gz VKEATSQHCSUULX-UHFFFAOYSA-N 1 0 331.529 3.448 50 0 EGAARO COc1ccccc1NC(=S)N1CC[NH+](C2CCCCC2)CC1 ZINC000016399687 453604791 /nfs/dbraw/zinc/60/47/91/453604791.db2.gz HWFGMVFRFJOARN-UHFFFAOYSA-N 1 0 333.501 3.342 50 0 EGAARO CC[NH+]1CCC(NC(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000017067152 453627470 /nfs/dbraw/zinc/62/74/70/453627470.db2.gz VDOIAFZDOHUBSZ-UHFFFAOYSA-N 1 0 327.881 3.119 50 0 EGAARO O[C@@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000020218773 453662877 /nfs/dbraw/zinc/66/28/77/453662877.db2.gz GSTJWGMBSGMGDU-SFHVURJKSA-N 1 0 334.822 3.335 50 0 EGAARO COc1cccc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccc3n2)c1 ZINC000032502313 453875691 /nfs/dbraw/zinc/87/56/91/453875691.db2.gz PBXMLQMCUNGULP-UHFFFAOYSA-N 1 0 349.434 3.202 50 0 EGAARO Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nccn4C)C3)n2)cc1 ZINC000082121346 453925720 /nfs/dbraw/zinc/92/57/20/453925720.db2.gz SEPCPKDJZLEYAO-MRXNPFEDSA-N 1 0 337.427 3.158 50 0 EGAARO NC(=O)COc1cccc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000076805190 454038799 /nfs/dbraw/zinc/03/87/99/454038799.db2.gz HZNGJKZFKJVXIB-QGZVFWFLSA-N 1 0 328.412 3.261 50 0 EGAARO c1[nH]nc(C2CCCCC2)c1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077408430 454102532 /nfs/dbraw/zinc/10/25/32/454102532.db2.gz HQMYCIBIDZZEKE-LJQANCHMSA-N 1 0 346.519 3.144 50 0 EGAARO CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2nc3ccccc3s2)C1 ZINC000058268325 454176060 /nfs/dbraw/zinc/17/60/60/454176060.db2.gz UQVMVNWCZBFDGL-AWEZNQCLSA-N 1 0 331.485 3.077 50 0 EGAARO CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)ccn1 ZINC000095374327 454198458 /nfs/dbraw/zinc/19/84/58/454198458.db2.gz JRKXUUCXYOUIHS-GHTZIAJQSA-N 1 0 349.478 3.381 50 0 EGAARO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccccc3)cc2)CC1 ZINC000071385437 454206636 /nfs/dbraw/zinc/20/66/36/454206636.db2.gz VEHXUFALYAODTJ-UHFFFAOYSA-N 1 0 339.439 3.481 50 0 EGAARO COc1ccc(F)c(-c2nc(C[N@H+](C)CC(C)(C)CO)c(C)o2)c1 ZINC000071747844 454211602 /nfs/dbraw/zinc/21/16/02/454211602.db2.gz MTJJJPZKQXVIMW-UHFFFAOYSA-N 1 0 336.407 3.248 50 0 EGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CCC[N@H+](C)C2)c1C ZINC000071748477 454213569 /nfs/dbraw/zinc/21/35/69/454213569.db2.gz ADOUWFMUSRFYNU-HNNXBMFYSA-N 1 0 327.472 3.305 50 0 EGAARO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccccc2)C[C@H]1[NH3+] ZINC000071791418 454218125 /nfs/dbraw/zinc/21/81/25/454218125.db2.gz CSXFKPWYLDEBEW-HOTGVXAUSA-N 1 0 348.443 3.052 50 0 EGAARO [NH3+]CCC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071775722 454218651 /nfs/dbraw/zinc/21/86/51/454218651.db2.gz XQDWJJRUNGORKV-CQSZACIVSA-N 1 0 328.378 3.225 50 0 EGAARO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2cccnc2N)C1 ZINC000095500297 454222031 /nfs/dbraw/zinc/22/20/31/454222031.db2.gz OHMCUNHPVABKFU-FQEVSTJZSA-N 1 0 339.439 3.237 50 0 EGAARO COC[C@H]1CCN(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000095503159 454222374 /nfs/dbraw/zinc/22/23/74/454222374.db2.gz JQCDGSACDVOIJW-KRWDZBQOSA-N 1 0 331.460 3.173 50 0 EGAARO Cc1ccc(-c2noc(CC3CC[NH+](Cc4ccccc4)CC3)n2)nn1 ZINC000095508766 454224968 /nfs/dbraw/zinc/22/49/68/454224968.db2.gz LOSXQSDZCUINJJ-UHFFFAOYSA-N 1 0 349.438 3.290 50 0 EGAARO Cc1nn(C)c2nc(N(C)Cc3cccc(C[NH+](C)C)c3)sc12 ZINC000095517373 454226559 /nfs/dbraw/zinc/22/65/59/454226559.db2.gz WTAGIWOSPMZDNM-UHFFFAOYSA-N 1 0 329.473 3.036 50 0 EGAARO CC[NH+]1CCC(CC(=O)N2CC(Oc3ccccc3Cl)C2)CC1 ZINC000095522751 454227241 /nfs/dbraw/zinc/22/72/41/454227241.db2.gz IUVVXZFTQAQDIF-UHFFFAOYSA-N 1 0 336.863 3.052 50 0 EGAARO c1ccc2c(c1)CC[N@@H+](CCNc1nccc(-c3cccnc3)n1)C2 ZINC000096138932 454291702 /nfs/dbraw/zinc/29/17/02/454291702.db2.gz SVRXPVRMQPXVJT-UHFFFAOYSA-N 1 0 331.423 3.009 50 0 EGAARO COc1cc(OCc2ccccc2)ccc1CN1CC[C@@H](C[NH3+])C1 ZINC000097155874 454418142 /nfs/dbraw/zinc/41/81/42/454418142.db2.gz KRPVFJKGABBQDI-KRWDZBQOSA-N 1 0 326.440 3.055 50 0 EGAARO Cc1cccc(NC[C@H]2CCN(c3ncnc4sccc43)C2)[nH+]1 ZINC000097200994 454423077 /nfs/dbraw/zinc/42/30/77/454423077.db2.gz RBELVFZPGWFCMC-CYBMUJFWSA-N 1 0 325.441 3.333 50 0 EGAARO C[N@@H+]1CCC[C@@H]1CCNc1nccc(-c2cnn(-c3ccccc3)c2)n1 ZINC000048428262 454488051 /nfs/dbraw/zinc/48/80/51/454488051.db2.gz YBRRUPQCINBFGT-QGZVFWFLSA-N 1 0 348.454 3.226 50 0 EGAARO Cc1cc(C)cc(NC(=O)Cn2cnc3cc4c(cc32)OCCO4)c1 ZINC000064794805 454505673 /nfs/dbraw/zinc/50/56/73/454505673.db2.gz IZLVKCVRVMXLPJ-UHFFFAOYSA-N 1 0 337.379 3.063 50 0 EGAARO Cc1ccc(-c2noc(CC[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000065288296 454549559 /nfs/dbraw/zinc/54/95/59/454549559.db2.gz KKYBHBISWPRVRH-UHFFFAOYSA-N 1 0 348.450 3.410 50 0 EGAARO C=Cn1cc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065404909 454561609 /nfs/dbraw/zinc/56/16/09/454561609.db2.gz SLSHYUAUHIDDRV-LEWJYISDSA-N 1 0 333.435 3.487 50 0 EGAARO OCc1ccc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)o1 ZINC000065404703 454561922 /nfs/dbraw/zinc/56/19/22/454561922.db2.gz TWBAGUITPUKZLD-LEWJYISDSA-N 1 0 337.419 3.276 50 0 EGAARO Cn1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)ccc21 ZINC000170613505 454942141 /nfs/dbraw/zinc/94/21/41/454942141.db2.gz ZSIYPRXNUQGSGS-HKUYNNGSSA-N 1 0 325.456 3.173 50 0 EGAARO Cc1nc(-c2cccc(NC(=O)c3cccc(C[NH+](C)C)c3)c2)n[nH]1 ZINC000155867543 455055810 /nfs/dbraw/zinc/05/58/10/455055810.db2.gz HZRSBDKVFUYJIG-UHFFFAOYSA-N 1 0 335.411 3.094 50 0 EGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1c[nH]c2ccccc12 ZINC000253414620 455840900 /nfs/dbraw/zinc/84/09/00/455840900.db2.gz XZGPFZIUVRUHGO-OXJNMPFZSA-N 1 0 339.483 3.433 50 0 biogenic EGAARO C[C@@H](O)[C@]1([NH3+])CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000261361528 455900679 /nfs/dbraw/zinc/90/06/79/455900679.db2.gz MOBNEFXLJAPAPL-CXYGEXQVSA-N 1 0 333.516 3.388 50 0 EGAARO COc1ccccc1CCC(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000222721576 456049393 /nfs/dbraw/zinc/04/93/93/456049393.db2.gz WJSHAHQFVOREBN-MRXNPFEDSA-N 1 0 330.472 3.009 50 0 EGAARO Cc1cccc(NC[C@@H]2CCN([C@H](C)c3nc(C4CC4)no3)C2)[nH+]1 ZINC000225344824 456077932 /nfs/dbraw/zinc/07/79/32/456077932.db2.gz CIWPKEFTDGLFDT-KGLIPLIRSA-N 1 0 327.432 3.145 50 0 EGAARO O=C(/C=C/c1ccccc1)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225567533 456093149 /nfs/dbraw/zinc/09/31/49/456093149.db2.gz PXBYGFDTKKXUPY-DKFQHHCZSA-N 1 0 330.497 3.034 50 0 EGAARO C[NH+](C)Cc1cccc(C(=O)N2CCC(Cc3cccnc3)CC2)c1 ZINC000374485227 457638604 /nfs/dbraw/zinc/63/86/04/457638604.db2.gz CXFLTMUZDXBPLE-UHFFFAOYSA-N 1 0 337.467 3.238 50 0 EGAARO C[C@H](O)c1cccc(-c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)c1 ZINC000426386963 457819380 /nfs/dbraw/zinc/81/93/80/457819380.db2.gz VCTJNYXJZFNPEX-INIZCTEOSA-N 1 0 338.451 3.185 50 0 EGAARO Cc1ccc2oc(-c3ccc(C(=O)N4CCC[NH2+]CC4)cc3)nc2c1 ZINC000426412152 457825296 /nfs/dbraw/zinc/82/52/96/457825296.db2.gz FNGUTZKJUXAFAY-UHFFFAOYSA-N 1 0 335.407 3.239 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccc(F)cn2)cc1 ZINC000426434609 457829903 /nfs/dbraw/zinc/82/99/03/457829903.db2.gz YMUSDSLZXULYGZ-KRWDZBQOSA-N 1 0 327.403 3.102 50 0 EGAARO CO[C@]12CC[N@H+](Cc3ccc(C)c4ncccc34)[C@H]1C[C@@H](O)CC2 ZINC000426552059 457854063 /nfs/dbraw/zinc/85/40/63/457854063.db2.gz TVERNNFGJMPJGX-XKGZKEIXSA-N 1 0 326.440 3.048 50 0 EGAARO Cc1ccccc1C1(NC(=O)c2cc(Cl)ccc2OCC[NH3+])CC1 ZINC000426574751 457856980 /nfs/dbraw/zinc/85/69/80/457856980.db2.gz BAKBXARDKKLATQ-UHFFFAOYSA-N 1 0 344.842 3.405 50 0 EGAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)N(Cc1cccnc1)C1CCCCC1 ZINC000426701682 457880041 /nfs/dbraw/zinc/88/00/41/457880041.db2.gz SNMXGJKWPDJYFX-LJQANCHMSA-N 1 0 342.487 3.020 50 0 EGAARO O=C(NCC1CCOCC1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426712581 457882187 /nfs/dbraw/zinc/88/21/87/457882187.db2.gz GBDLZJLGVHQFSB-UHFFFAOYSA-N 1 0 330.472 3.219 50 0 EGAARO O=C(NC1(C[NH+]2CCCCC2)CC1)N1CCCC[C@H]1c1nccs1 ZINC000534676128 459345648 /nfs/dbraw/zinc/34/56/48/459345648.db2.gz UIONTMFUKGMQJF-HNNXBMFYSA-N 1 0 348.516 3.398 50 0 EGAARO COc1ccc(-n2cc([C@@H](C)[NH2+]C3CSCCSC3)cn2)cc1 ZINC000584894036 459819755 /nfs/dbraw/zinc/81/97/55/459819755.db2.gz JRVHEQOUJYNRFX-CYBMUJFWSA-N 1 0 349.525 3.380 50 0 EGAARO O=C(c1ccc(N2CCCC2)cc1)N1CC[NH+](CC2CCCC2)CC1 ZINC000584903423 459821444 /nfs/dbraw/zinc/82/14/44/459821444.db2.gz HROZIFQDIQMWTP-UHFFFAOYSA-N 1 0 341.499 3.235 50 0 EGAARO O=C(Nc1cccs1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575618792 459986789 /nfs/dbraw/zinc/98/67/89/459986789.db2.gz WIQBATHRVODNGT-UHFFFAOYSA-N 1 0 325.503 3.183 50 0 EGAARO CCOc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](NC(C)=O)C3)o2)cc1 ZINC000216539568 535692967 /nfs/dbraw/zinc/69/29/67/535692967.db2.gz WXRIWJXCWWODHK-QGZVFWFLSA-N 1 0 342.439 3.446 50 0 EGAARO C[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)C[C@@H](O)c1ccccc1 ZINC000243932471 536307305 /nfs/dbraw/zinc/30/73/05/536307305.db2.gz BVQJWNGGLLXVSO-HXUWFJFHSA-N 1 0 338.451 3.169 50 0 EGAARO C[N@@H+](CCC(=O)Nc1ccc(F)cc1F)CC[C@@H](O)c1ccccc1 ZINC000244574804 536307330 /nfs/dbraw/zinc/30/73/30/536307330.db2.gz CRUOUNAHYHWVOR-GOSISDBHSA-N 1 0 348.393 3.349 50 0 EGAARO COc1cc(C)sc1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000216250289 536707628 /nfs/dbraw/zinc/70/76/28/536707628.db2.gz KGNZCIIWIPBLCB-INIZCTEOSA-N 1 0 344.480 3.284 50 0 EGAARO Cc1cccc(C2(NC(=O)N(C)CC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000584887836 548099293 /nfs/dbraw/zinc/09/92/93/548099293.db2.gz MZJSFOUOVGXTAG-QGZVFWFLSA-N 1 0 329.488 3.500 50 0 EGAARO CCCn1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(C)n1 ZINC000012595703 1291133238 /nfs/dbraw/zinc/13/32/38/1291133238.db2.gz QZBGDYGCGLLREA-OAQYLSRUSA-N 1 0 341.499 3.419 50 0 EGAARO CC1(C)[C@@H]2C[C@H]1C(C[NH2+]Cc1cccnc1N1CCOCC1)=CC2 ZINC000012592395 1291133375 /nfs/dbraw/zinc/13/33/75/1291133375.db2.gz PQBPIGHJNACMOX-ROUUACIJSA-N 1 0 327.472 3.000 50 0 EGAARO Cc1nnc(NCC2([NH+]3CCOCC3)CCCCC2)c2ccccc12 ZINC000032830406 1291382984 /nfs/dbraw/zinc/38/29/84/1291382984.db2.gz UEJUIGBPCPMIHU-UHFFFAOYSA-N 1 0 340.471 3.385 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccn1 ZINC000055199148 1291777003 /nfs/dbraw/zinc/77/70/03/1291777003.db2.gz QHQPJXABZVNVHU-LJQANCHMSA-N 1 0 336.439 3.040 50 0 EGAARO O=C(Cn1ncc2ccccc21)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000827864068 1292389314 /nfs/dbraw/zinc/38/93/14/1292389314.db2.gz PXUBLJKCUXVJTK-UHFFFAOYSA-N 1 0 334.423 3.271 50 0 EGAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)c1ccc2c(c1)CCO2 ZINC000828166562 1292438346 /nfs/dbraw/zinc/43/83/46/1292438346.db2.gz BNVFQKLGKKFFIT-UHFFFAOYSA-N 1 0 342.464 3.077 50 0 EGAARO OC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000952980318 1334629059 /nfs/dbraw/zinc/62/90/59/1334629059.db2.gz GKCCXLTWWPKZOD-HNNXBMFYSA-N 1 0 332.419 3.022 50 0 EGAARO COc1nc(NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1F ZINC000952983915 1334629774 /nfs/dbraw/zinc/62/97/74/1334629774.db2.gz SKLBWAUOICVBLB-MRXNPFEDSA-N 1 0 344.434 3.481 50 0 EGAARO CC(=O)c1cc(CN2CCC([C@H](O)c3cccs3)CC2)n(C)c1 ZINC000952986077 1334630679 /nfs/dbraw/zinc/63/06/79/1334630679.db2.gz YDEGIZNWMRWFRQ-SFHVURJKSA-N 1 0 332.469 3.235 50 0 EGAARO COc1ncccc1C[NH+]1CCC2(CC1)OCCc1sccc12 ZINC001704358370 1416455330 /nfs/dbraw/zinc/45/53/30/1416455330.db2.gz IQTVEPZSUIMMLA-UHFFFAOYSA-N 1 0 330.453 3.216 50 0 EGAARO O=C(c1c[nH]c2ccccc12)N1CCC[N@@H+](CC[C@H]2CC2(F)F)CC1 ZINC001772707927 1441417188 /nfs/dbraw/zinc/41/71/88/1441417188.db2.gz YJGBGSUTJLVUCL-AWEZNQCLSA-N 1 0 347.409 3.361 50 0 EGAARO Cc1ncsc1CN1C[C@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772712331 1441417293 /nfs/dbraw/zinc/41/72/93/1441417293.db2.gz PAQRJWBDORCUHU-MJGOQNOKSA-N 1 0 327.497 3.106 50 0 EGAARO CC[C@H](Cc1ccco1)[N@@H+]1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC001772815103 1441417648 /nfs/dbraw/zinc/41/76/48/1441417648.db2.gz IURMPISGGXXKKK-MRXNPFEDSA-N 1 0 345.443 3.054 50 0 EGAARO CC[C@@H](Cc1ccco1)[N@@H+]1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC001772815100 1441417694 /nfs/dbraw/zinc/41/76/94/1441417694.db2.gz IURMPISGGXXKKK-INIZCTEOSA-N 1 0 345.443 3.054 50 0 EGAARO Cc1cc(C)c(-n2cccn2)c(C[N@@H+](Cc2cnn(C)c2)C2CC2)c1 ZINC000097657133 219044830 /nfs/dbraw/zinc/04/48/30/219044830.db2.gz YZKADRKPJUCQKT-UHFFFAOYSA-N 1 0 335.455 3.387 50 0 EGAARO CC[C@H](C)Oc1ccc(C[NH2+]CCN2CCC(O)CC2)cc1Cl ZINC000055042604 214266969 /nfs/dbraw/zinc/26/69/69/214266969.db2.gz KKVFBSCKQIAXDJ-AWEZNQCLSA-N 1 0 340.895 3.064 50 0 EGAARO Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000055133746 214278250 /nfs/dbraw/zinc/27/82/50/214278250.db2.gz HFWIKYJZOXHSTO-ZDUSSCGKSA-N 1 0 330.457 3.116 50 0 EGAARO Cc1cccc(CN(C(=O)CC[C@@H](C)[NH+]2CCN(C)CC2)C(C)C)c1 ZINC000055244513 214294300 /nfs/dbraw/zinc/29/43/00/214294300.db2.gz WXHGEXXGIUMNRI-LJQANCHMSA-N 1 0 345.531 3.148 50 0 EGAARO CCCc1cc(CNC(=O)c2cc(C[NH+]3CCCC3)c(CC)o2)on1 ZINC000055270741 214299666 /nfs/dbraw/zinc/29/96/66/214299666.db2.gz CSYFWXRFODUEJO-UHFFFAOYSA-N 1 0 345.443 3.308 50 0 EGAARO COC(=O)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055291979 214302672 /nfs/dbraw/zinc/30/26/72/214302672.db2.gz ZFNRKZXYSXRUJP-UHFFFAOYSA-N 1 0 344.842 3.449 50 0 EGAARO Cc1ccc([C@H](C)[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)cn1 ZINC000055385917 214315968 /nfs/dbraw/zinc/31/59/68/214315968.db2.gz XKAFXKHAENVGLX-HNNXBMFYSA-N 1 0 336.439 3.071 50 0 EGAARO O=C(NC1(Cc2ccccc2)CC1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055403164 214320003 /nfs/dbraw/zinc/32/00/03/214320003.db2.gz PJALIUANONIYFA-SFHVURJKSA-N 1 0 338.451 3.383 50 0 EGAARO CCCSc1ncc(C[NH2+]Cc2ccc3c(c2)OCCCO3)cn1 ZINC000055403490 214320270 /nfs/dbraw/zinc/32/02/70/214320270.db2.gz FOESKDQFQUYNQS-UHFFFAOYSA-N 1 0 345.468 3.430 50 0 EGAARO C[C@@H](c1ccc(-c2nc3c(cc2C(N)=O)CCC3)cc1)[NH+]1CCCC1 ZINC000097797529 219057850 /nfs/dbraw/zinc/05/78/50/219057850.db2.gz PZJYFYHNBMFYGZ-AWEZNQCLSA-N 1 0 335.451 3.493 50 0 EGAARO Cc1nn(C)c2nc(N3CCC([C@@H](C)[NH+]4CCCC4)CC3)sc12 ZINC000095516941 282285135 /nfs/dbraw/zinc/28/51/35/282285135.db2.gz HTTUQCIFIGAFKV-CYBMUJFWSA-N 1 0 333.505 3.039 50 0 EGAARO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3c(C)cc(C)cc23)CC1 ZINC000004340516 210176289 /nfs/dbraw/zinc/17/62/89/210176289.db2.gz PXLADPZTTKTGNO-UHFFFAOYSA-N 1 0 343.423 3.185 50 0 biogenic EGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CC(C)(C)C)C2=O)cc1 ZINC000067513980 215157101 /nfs/dbraw/zinc/15/71/01/215157101.db2.gz RNHJSUOQJOGUQZ-OAQYLSRUSA-N 1 0 346.515 3.299 50 0 EGAARO Ic1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042773622 213533560 /nfs/dbraw/zinc/53/35/60/213533560.db2.gz SPMNTJIQIGJMHI-NSHDSACASA-N 1 0 331.197 3.060 50 0 EGAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cc(N)ncn1)CCO2 ZINC000067726237 215196206 /nfs/dbraw/zinc/19/62/06/215196206.db2.gz BDEKBBOXJUTCNP-UHFFFAOYSA-N 1 0 348.406 3.139 50 0 EGAARO NC(=O)c1cccnc1Oc1ccc(C[NH+]2CCCC2)cc1Cl ZINC000067756548 215204852 /nfs/dbraw/zinc/20/48/52/215204852.db2.gz QSBVBXYRBROOMF-UHFFFAOYSA-N 1 0 331.803 3.222 50 0 EGAARO c1coc(-c2cc(C[NH2+]C3CCN(Cc4ccccn4)CC3)no2)c1 ZINC000067785385 215211826 /nfs/dbraw/zinc/21/18/26/215211826.db2.gz RGRJHUHKAPYLSW-UHFFFAOYSA-N 1 0 338.411 3.084 50 0 EGAARO Cc1cccc2c(CC[NH2+][C@@H]3CCC(=O)N(CC4CC4)CC3)c[nH]c21 ZINC000067821063 215221205 /nfs/dbraw/zinc/22/12/05/215221205.db2.gz NRXYILRSPJFWFQ-GOSISDBHSA-N 1 0 339.483 3.400 50 0 EGAARO O=C(CCC(=O)N1CCCC2(CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000067884860 215240259 /nfs/dbraw/zinc/24/02/59/215240259.db2.gz WPMXANAASOCWPZ-UHFFFAOYSA-N 1 0 346.446 3.171 50 0 EGAARO COc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)o2)cc1 ZINC000067947579 215255673 /nfs/dbraw/zinc/25/56/73/215255673.db2.gz HEPXNAZKDVCCRO-JKSUJKDBSA-N 1 0 340.423 3.264 50 0 EGAARO C[N@@H+]1CCC[C@@H]1CCn1ccnc1-c1cc2c(cc1Cl)OCO2 ZINC000067966726 215262430 /nfs/dbraw/zinc/26/24/30/215262430.db2.gz TZRJBWGCDUBFTJ-GFCCVEGCSA-N 1 0 333.819 3.417 50 0 EGAARO Nc1cc(N2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)cc[nH+]1 ZINC000067955810 215259358 /nfs/dbraw/zinc/25/93/58/215259358.db2.gz MVIKBRZCEBFCJF-UHFFFAOYSA-N 1 0 333.439 3.362 50 0 EGAARO C[NH+]1CCC(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CC1 ZINC000067966603 215262076 /nfs/dbraw/zinc/26/20/76/215262076.db2.gz MLTCIMYQQALRDN-FCHUYYIVSA-N 1 0 338.495 3.332 50 0 EGAARO COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@@H](C2)[NH2+]CC3 ZINC000002015811 290992217 /nfs/dbraw/zinc/99/22/17/290992217.db2.gz MZSUVQFIWWXTFR-CQSZACIVSA-N 1 0 341.407 3.131 50 0 biogenic,in-vitro EGAARO C[NH+]1CCC(CC(=O)NCCSCc2ccccc2Cl)CC1 ZINC000071384692 215766832 /nfs/dbraw/zinc/76/68/32/215766832.db2.gz MLXDJNNKXJMLDD-UHFFFAOYSA-N 1 0 340.920 3.421 50 0 EGAARO O[C@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCCC2 ZINC000000425747 209588022 /nfs/dbraw/zinc/58/80/22/209588022.db2.gz CHEOADNODASKGW-FQEVSTJZSA-N 1 0 325.407 3.476 50 0 EGAARO C[C@H](O)C[NH2+]CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000032541288 212809625 /nfs/dbraw/zinc/80/96/25/212809625.db2.gz CUHCIKGEYJVXRH-NSHDSACASA-N 1 0 343.254 3.313 50 0 EGAARO CCn1nc(C)c(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000072127257 216017983 /nfs/dbraw/zinc/01/79/83/216017983.db2.gz YGFKIUGWVGVEOS-LJQANCHMSA-N 1 0 326.488 3.008 50 0 EGAARO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)cc1F ZINC000072145421 216032675 /nfs/dbraw/zinc/03/26/75/216032675.db2.gz YKRORAJEMVCEEU-LJQANCHMSA-N 1 0 344.409 3.247 50 0 EGAARO CC[N@@H+]1CCC[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000072149696 216037239 /nfs/dbraw/zinc/03/72/39/216037239.db2.gz ORXMEANPXGQKLC-SFHVURJKSA-N 1 0 335.923 3.190 50 0 EGAARO C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nc3c2C[NH2+]C3)C[C@H](C)O1 ZINC000072154977 216043993 /nfs/dbraw/zinc/04/39/93/216043993.db2.gz UVLAPGFLSKGGRC-TXEJJXNPSA-N 1 0 344.846 3.014 50 0 EGAARO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000072280492 216108591 /nfs/dbraw/zinc/10/85/91/216108591.db2.gz HTUKOXMLIZSHIX-QZTJIDSGSA-N 1 0 339.439 3.252 50 0 EGAARO Cc1cc(NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)n2nccc2n1 ZINC000072410210 216202560 /nfs/dbraw/zinc/20/25/60/216202560.db2.gz VNNJYCYXCZFJRS-GOSISDBHSA-N 1 0 335.455 3.329 50 0 EGAARO O=C1CC[C@]2(CCC[N@@H+](CCCCCF)C2)CN1Cc1ccccn1 ZINC000072419597 216207936 /nfs/dbraw/zinc/20/79/36/216207936.db2.gz YFOXCABYKACNPQ-FQEVSTJZSA-N 1 0 347.478 3.426 50 0 EGAARO Cc1[nH]c2c(cccc2C[NH+]2CCC3(CN(C)C(=O)O3)CC2)c1C ZINC000072457516 216242653 /nfs/dbraw/zinc/24/26/53/216242653.db2.gz MDELWLINNUZAIT-UHFFFAOYSA-N 1 0 327.428 3.201 50 0 EGAARO c1cn(CCCSc2ccccc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072454695 216242754 /nfs/dbraw/zinc/24/27/54/216242754.db2.gz KXUAOHTVUUOWHD-UHFFFAOYSA-N 1 0 339.468 3.032 50 0 EGAARO C[NH+]1CCC(Oc2ccc(-n3ccnc3-c3ccncc3)cc2)CC1 ZINC000072478573 216256367 /nfs/dbraw/zinc/25/63/67/216256367.db2.gz OGZNXVFSXQIDNB-UHFFFAOYSA-N 1 0 334.423 3.407 50 0 EGAARO Cc1cc(N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)nc(N)[nH+]1 ZINC000072478311 216257698 /nfs/dbraw/zinc/25/76/98/216257698.db2.gz LJAJGSCPMHBSQV-CQSZACIVSA-N 1 0 332.398 3.495 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000072881806 216324245 /nfs/dbraw/zinc/32/42/45/216324245.db2.gz DXJZQQHKHGRYEL-OAHLLOKOSA-N 1 0 346.471 3.146 50 0 EGAARO OCC[C@@H]1C[N@H+](CC2CCCCC2)CCN1CCc1ccccc1 ZINC000023358198 212370928 /nfs/dbraw/zinc/37/09/28/212370928.db2.gz HBGGKDSZEPWTQN-OAQYLSRUSA-N 1 0 330.516 3.178 50 0 EGAARO CN(C)c1ncc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC000023358235 212369962 /nfs/dbraw/zinc/36/99/62/212369962.db2.gz VPLMNHKFPMRUJL-KRWDZBQOSA-N 1 0 344.528 3.306 50 0 EGAARO COc1ccc(CN2CCC[N@H+](C)CC2)cc1OCc1ccccc1 ZINC000023281660 212366894 /nfs/dbraw/zinc/36/68/94/212366894.db2.gz RGMHOSCQRFDZOZ-UHFFFAOYSA-N 1 0 340.467 3.412 50 0 EGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)cc1 ZINC000023153303 212357354 /nfs/dbraw/zinc/35/73/54/212357354.db2.gz CGVFSQGUKGBCGP-FQEVSTJZSA-N 1 0 342.458 3.203 50 0 EGAARO OCC[C@@H]1CN(Cc2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000022920069 212334058 /nfs/dbraw/zinc/33/40/58/212334058.db2.gz YXURSDUDOIJURF-GOSISDBHSA-N 1 0 346.421 3.034 50 0 EGAARO CC(C)n1cc(CN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cn1 ZINC000215031208 241102555 /nfs/dbraw/zinc/10/25/55/241102555.db2.gz IPSOFMKIPZEGAW-LJQANCHMSA-N 1 0 340.471 3.203 50 0 EGAARO Cc1ccccc1-c1ncc(C[N@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)s1 ZINC000215100435 241106482 /nfs/dbraw/zinc/10/64/82/241106482.db2.gz VNOVMURAQDAXLR-CABCVRRESA-N 1 0 341.480 3.219 50 0 EGAARO CC[C@]1(C(N)=O)CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215138518 241109487 /nfs/dbraw/zinc/10/94/87/241109487.db2.gz COSIKYKXBUSFFF-IBGZPJMESA-N 1 0 330.476 3.002 50 0 EGAARO O=C(CCc1cccnc1)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000215552913 241131696 /nfs/dbraw/zinc/13/16/96/241131696.db2.gz GUJJDAJONJDTBU-FQEVSTJZSA-N 1 0 337.467 3.358 50 0 EGAARO CC(C)C/C=C(\C[N@@H+]1CC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000215532326 241132724 /nfs/dbraw/zinc/13/27/24/241132724.db2.gz DILTXDVQQGZZAP-DZEJHBHFSA-N 1 0 341.543 3.438 50 0 EGAARO O[C@H]1C[C@@H]([C@H]([NH2+]C2CCN(Cc3ccco3)CC2)c2cccs2)C1 ZINC000243893148 243030684 /nfs/dbraw/zinc/03/06/84/243030684.db2.gz AOMCMDMNYGLRBK-GMBSWORKSA-N 1 0 346.496 3.407 50 0 EGAARO Cc1nc2cc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000244673871 243053437 /nfs/dbraw/zinc/05/34/37/243053437.db2.gz HXDJAKRPAZBOBR-KRWDZBQOSA-N 1 0 349.438 3.267 50 0 EGAARO Cc1ccccc1OC1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000244748828 243075145 /nfs/dbraw/zinc/07/51/45/243075145.db2.gz OPEADJFLPLZTHC-IYBDPMFKSA-N 1 0 338.455 3.038 50 0 EGAARO Cc1noc(C)c1CCCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244778629 243078247 /nfs/dbraw/zinc/07/82/47/243078247.db2.gz 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CCOc1ccc2ccccc2c1C(=O)NCC[NH+]1CCCCC1 ZINC000013328024 211546899 /nfs/dbraw/zinc/54/68/99/211546899.db2.gz YBDHLPFQRRFPOP-UHFFFAOYSA-N 1 0 326.440 3.454 50 0 EGAARO O=C1CC[C@@H]([NH2+]C2CCCCC2)CCN1CCOc1ccccc1 ZINC000012451190 211386761 /nfs/dbraw/zinc/38/67/61/211386761.db2.gz LDEYBJCSSVVTOL-GOSISDBHSA-N 1 0 330.472 3.369 50 0 EGAARO CSc1ccc(CN2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012363292 211355141 /nfs/dbraw/zinc/35/51/41/211355141.db2.gz QYXUAMJTHQYQLW-IYBDPMFKSA-N 1 0 334.529 3.482 50 0 EGAARO COC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)c(F)c2)C1 ZINC000012316199 211344946 /nfs/dbraw/zinc/34/49/46/211344946.db2.gz YRDQJASKMDSPMD-CYBMUJFWSA-N 1 0 333.407 3.083 50 0 EGAARO COCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012205661 211320740 /nfs/dbraw/zinc/32/07/40/211320740.db2.gz MDGPJLLGOSQLEM-HXUWFJFHSA-N 1 0 336.520 3.308 50 0 EGAARO COc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCCC2)cc1 ZINC000012063020 211286775 /nfs/dbraw/zinc/28/67/75/211286775.db2.gz CVQCAAVDWPHFCB-IBGZPJMESA-N 1 0 342.414 3.401 50 0 biogenic EGAARO Cc1cnccc1CNC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000011873510 211261274 /nfs/dbraw/zinc/26/12/74/211261274.db2.gz DLGNPXIMPABRMZ-UHFFFAOYSA-N 1 0 349.478 3.030 50 0 EGAARO CCCn1ncc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1C ZINC000091595470 218029349 /nfs/dbraw/zinc/02/93/49/218029349.db2.gz MKGIUCLGOMDMNW-LJQANCHMSA-N 1 0 340.471 3.168 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)N1CC[N@@H+]3CCCC[C@H]3C1)c(C)ccc2C ZINC000091893933 218084707 /nfs/dbraw/zinc/08/47/07/218084707.db2.gz BPPCYFLQLQZQJS-KRWDZBQOSA-N 1 0 339.483 3.332 50 0 EGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CC1CC1)CC2 ZINC000091894652 218086200 /nfs/dbraw/zinc/08/62/00/218086200.db2.gz QHDUOEVHJNTURA-UHFFFAOYSA-N 1 0 334.410 3.189 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)N1CCC[C@@]3(CC[NH2+]C3)C1)c(C)ccc2C ZINC000091907676 218087381 /nfs/dbraw/zinc/08/73/81/218087381.db2.gz NRGGSLZGBCMNGZ-NRFANRHFSA-N 1 0 339.483 3.238 50 0 EGAARO CCCc1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000092045520 218108670 /nfs/dbraw/zinc/10/86/70/218108670.db2.gz MCNHNUFTYMDENZ-QZTJIDSGSA-N 1 0 334.504 3.148 50 0 EGAARO COCCC[C@]1(CO)CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000092098420 218118364 /nfs/dbraw/zinc/11/83/64/218118364.db2.gz GBUREWQTVUKEPU-HXUWFJFHSA-N 1 0 349.519 3.459 50 0 EGAARO CCn1nc(C)c(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)c1C ZINC000092062109 218112233 /nfs/dbraw/zinc/11/22/33/218112233.db2.gz GYOLFEZDEGUJCQ-RBUKOAKNSA-N 1 0 330.520 3.382 50 0 EGAARO COC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010328885 211164596 /nfs/dbraw/zinc/16/45/96/211164596.db2.gz FDHJYUMIJKGQBK-UHFFFAOYSA-N 1 0 338.407 3.321 50 0 EGAARO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009486537 211089949 /nfs/dbraw/zinc/08/99/49/211089949.db2.gz FSIAQTSDHUQAPH-KRWDZBQOSA-N 1 0 328.412 3.245 50 0 EGAARO Cc1ncsc1CCN(C)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095354098 218288029 /nfs/dbraw/zinc/28/80/29/218288029.db2.gz UNLMOCPHODYVJS-KRWDZBQOSA-N 1 0 343.496 3.233 50 0 EGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000095354432 218288062 /nfs/dbraw/zinc/28/80/62/218288062.db2.gz KIZFKWSRDVEIKW-INIZCTEOSA-N 1 0 347.846 3.486 50 0 EGAARO COc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)o1 ZINC000095361760 218294609 /nfs/dbraw/zinc/29/46/09/218294609.db2.gz OILIAWGHDQHSJR-IAGOWNOFSA-N 1 0 340.423 3.025 50 0 EGAARO CSc1ccc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1 ZINC000095378433 218311772 /nfs/dbraw/zinc/31/17/72/218311772.db2.gz BDDNSYSKMYTLIW-UYAOXDASSA-N 1 0 341.476 3.379 50 0 EGAARO CCC[NH+]1CCC(Cc2noc(CCc3scnc3C)n2)CC1 ZINC000095384083 218316183 /nfs/dbraw/zinc/31/61/83/218316183.db2.gz BWCYARAMJJYBEC-UHFFFAOYSA-N 1 0 334.489 3.284 50 0 EGAARO COc1ccc(Cc2nc([C@H]3CC[NH2+]C3)n(C3CCCCC3)n2)cc1 ZINC000096153325 218629924 /nfs/dbraw/zinc/62/99/24/218629924.db2.gz JYSRNIGVNUMKBF-INIZCTEOSA-N 1 0 340.471 3.460 50 0 EGAARO CC[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000097294603 219009866 /nfs/dbraw/zinc/00/98/66/219009866.db2.gz HDMNOOZZIOPEBT-LJQANCHMSA-N 1 0 338.451 3.224 50 0 EGAARO O=C(COc1ccccc1C[NH2+]C1CCCC1)NCc1ccccc1 ZINC000004810825 210283452 /nfs/dbraw/zinc/28/34/52/210283452.db2.gz MUVUGFVPXNZDKE-UHFFFAOYSA-N 1 0 338.451 3.414 50 0 EGAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c2ccccc2[nH]c1C(=O)OC ZINC000004806929 210282338 /nfs/dbraw/zinc/28/23/38/210282338.db2.gz UWEVRTAKFOVNAU-CYBMUJFWSA-N 1 0 343.427 3.158 50 0 EGAARO FC(F)(F)c1ccccc1NC(=S)NCC[NH+]1CCCCC1 ZINC000004757525 210271654 /nfs/dbraw/zinc/27/16/54/210271654.db2.gz OIVNHGXQPOJMJY-UHFFFAOYSA-N 1 0 331.407 3.478 50 0 EGAARO Cc1ccc(C[N@@H+](C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000119659346 221369820 /nfs/dbraw/zinc/36/98/20/221369820.db2.gz QDQNXLNHORJJHG-UHFFFAOYSA-N 1 0 325.412 3.018 50 0 EGAARO CN(CC[NH+]1CCCCCC1)C(=O)NCc1cccc2[nH]ccc21 ZINC000426478644 257967435 /nfs/dbraw/zinc/96/74/35/257967435.db2.gz AXCIZOZZVNLAEN-UHFFFAOYSA-N 1 0 328.460 3.185 50 0 EGAARO Cn1ncc(Cl)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299776315 258086622 /nfs/dbraw/zinc/08/66/22/258086622.db2.gz AMUGRHDSBDYHEA-INIZCTEOSA-N 1 0 346.862 3.031 50 0 EGAARO CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)n1cccc1 ZINC000299777761 258087698 /nfs/dbraw/zinc/08/76/98/258087698.db2.gz PCTFYLDESGADEZ-IBGZPJMESA-N 1 0 340.471 3.005 50 0 EGAARO CN(Cc1cscn1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299788217 258094161 /nfs/dbraw/zinc/09/41/61/258094161.db2.gz XUQJYHQSKGNSAP-KSZLIROESA-N 1 0 341.480 3.327 50 0 EGAARO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1C(F)F ZINC000299798981 258102287 /nfs/dbraw/zinc/10/22/87/258102287.db2.gz UTTJSBXEACXYAV-UONOGXRCSA-N 1 0 325.403 3.186 50 0 EGAARO O=C(CCn1cccc1)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000299802017 258104623 /nfs/dbraw/zinc/10/46/23/258104623.db2.gz RDPJSFAZYMVFCL-IBGZPJMESA-N 1 0 343.446 3.361 50 0 EGAARO O=C(CC[NH+]1CCCCCCC1)N1CCC[C@H]1c1nc(C2CC2)no1 ZINC000299767255 258081961 /nfs/dbraw/zinc/08/19/61/258081961.db2.gz QGELMRYYYZPCLP-INIZCTEOSA-N 1 0 346.475 3.267 50 0 EGAARO C[C@@H](Nc1nc(N2CC[NH2+]CC2)nc2ccccc21)c1ccccc1 ZINC000000568534 135652836 /nfs/dbraw/zinc/65/28/36/135652836.db2.gz LOGWGZNWEWFTJV-OAHLLOKOSA-N 1 0 333.439 3.213 50 0 biogenic,in-vitro EGAARO O=C1C[C@@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000100226862 275019741 /nfs/dbraw/zinc/01/97/41/275019741.db2.gz VJXKIVSEPDYYAT-BFQNTYOBSA-N 1 0 348.805 3.009 50 0 EGAARO COCC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)cc(Cl)cc2C)C1 ZINC000095497534 277225976 /nfs/dbraw/zinc/22/59/76/277225976.db2.gz PHKKUDBKMRXFOI-AWEZNQCLSA-N 1 0 339.867 3.047 50 0 EGAARO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]C(C)C)C3 ZINC000020598400 277368728 /nfs/dbraw/zinc/36/87/28/277368728.db2.gz KWBFHPQWTAICRJ-CYBMUJFWSA-N 1 0 333.501 3.359 50 0 EGAARO COc1cccc(F)c1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000091411269 278015070 /nfs/dbraw/zinc/01/50/70/278015070.db2.gz XOXMBDUWXSBYOO-OAHLLOKOSA-N 1 0 334.435 3.315 50 0 EGAARO Cc1c(C)n(CCc2ccccc2)c2ncnc(N3CC[NH+](C)CC3)c12 ZINC000006759157 280224108 /nfs/dbraw/zinc/22/41/08/280224108.db2.gz JGDOXRDTXXPDNM-UHFFFAOYSA-N 1 0 349.482 3.043 50 0 EGAARO Cc1c2ccc(C)c(C)c2oc1C(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013689881 280266497 /nfs/dbraw/zinc/26/64/97/280266497.db2.gz HUQUXMAASKPVMD-UHFFFAOYSA-N 1 0 342.439 3.252 50 0 EGAARO CN1CCc2c1nc1ccccc1c2NC(=O)C[NH+]1CCCCCC1 ZINC000000333839 452565752 /nfs/dbraw/zinc/56/57/52/452565752.db2.gz UVIAJVAJCNLZJL-UHFFFAOYSA-N 1 0 338.455 3.042 50 0 EGAARO CC[NH+](CC)CCOC(=O)[C@@](O)(c1cccs1)C1CCCC1 ZINC000005847667 452905385 /nfs/dbraw/zinc/90/53/85/452905385.db2.gz ASXBIKGZCPZCAN-KRWDZBQOSA-N 1 0 325.474 3.011 50 0 EGAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000006743151 452980457 /nfs/dbraw/zinc/98/04/57/452980457.db2.gz IPAVOAODUHSOCD-UHFFFAOYSA-N 1 0 335.831 3.318 50 0 EGAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000012383630 453359289 /nfs/dbraw/zinc/35/92/89/453359289.db2.gz QPKUSUITMDWTAM-KRWDZBQOSA-N 1 0 340.467 3.457 50 0 EGAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CCOCC2)c1 ZINC000012593941 453381282 /nfs/dbraw/zinc/38/12/82/453381282.db2.gz KSIONHRBSJBCKI-KRWDZBQOSA-N 1 0 333.382 3.297 50 0 EGAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCC(C)C)C2 ZINC000014743764 453543809 /nfs/dbraw/zinc/54/38/09/453543809.db2.gz NMBDUBAVQJPUIV-MRXNPFEDSA-N 1 0 346.519 3.022 50 0 EGAARO O=C1C[C@H]([NH2+]Cc2cccc3cccnc32)CN1CCc1ccccc1 ZINC000015068435 453553228 /nfs/dbraw/zinc/55/32/28/453553228.db2.gz GADZLFPEDFCSSE-FQEVSTJZSA-N 1 0 345.446 3.168 50 0 EGAARO O[C@@]1(c2ccc(F)cc2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000016777081 453621074 /nfs/dbraw/zinc/62/10/74/453621074.db2.gz XQQXBFYVHPSBFQ-HXUWFJFHSA-N 1 0 325.407 3.476 50 0 EGAARO O[C@@H](C[NH+]1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc21 ZINC000019947604 453660997 /nfs/dbraw/zinc/66/09/97/453660997.db2.gz OERCCXODIUIHRC-FQEVSTJZSA-N 1 0 339.414 3.163 50 0 EGAARO CCC(CC)[N@@H+]1CCN(Cc2ccc(OC)c(C)c2)[C@H](CCO)C1 ZINC000022853381 453700355 /nfs/dbraw/zinc/70/03/55/453700355.db2.gz WFGJGKHMIHUCNJ-LJQANCHMSA-N 1 0 334.504 3.061 50 0 EGAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(F)cc3)cc2)CC1 ZINC000025739054 453784424 /nfs/dbraw/zinc/78/44/24/453784424.db2.gz HBQUXSDGLIEJAE-UHFFFAOYSA-N 1 0 341.430 3.149 50 0 EGAARO Cc1ccc(O[C@@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)cc1C ZINC000027579814 453818957 /nfs/dbraw/zinc/81/89/57/453818957.db2.gz GONXHBUOAHXWLK-KRWDZBQOSA-N 1 0 332.488 3.451 50 0 EGAARO CCOc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000029838834 453832000 /nfs/dbraw/zinc/83/20/00/453832000.db2.gz DNCHDQYBOFHCDC-UHFFFAOYSA-N 1 0 338.451 3.264 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000082098296 453924016 /nfs/dbraw/zinc/92/40/16/453924016.db2.gz NYVDQPLEJFPQFG-UHFFFAOYSA-N 1 0 343.858 3.325 50 0 EGAARO Cc1ccc2[nH]c(CC[NH2+][C@H]3CCOC4(CCOCC4)C3)nc2c1C ZINC000082099454 453924064 /nfs/dbraw/zinc/92/40/64/453924064.db2.gz ZYQGKJPFIQTNPZ-INIZCTEOSA-N 1 0 343.471 3.040 50 0 EGAARO CC1(C)C[C@H](C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)CCO1 ZINC000082108537 453924625 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Cc1cc(-n2nc(CCc3ccccc3)nc2[C@@H]2CCOC2)cc[nH+]1 ZINC000065395748 454559399 /nfs/dbraw/zinc/55/93/99/454559399.db2.gz VMVWQLPJPHVRAD-QGZVFWFLSA-N 1 0 334.423 3.260 50 0 EGAARO CC(C)[N@@H+]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@H]1CCO ZINC000105111019 454623043 /nfs/dbraw/zinc/62/30/43/454623043.db2.gz MJVZWTZKWIDRCZ-QGZVFWFLSA-N 1 0 345.512 3.087 50 0 EGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccccc2)n[nH]1 ZINC000169680670 454930294 /nfs/dbraw/zinc/93/02/94/454930294.db2.gz CBTDZZQHBUWVLX-LPHOPBHVSA-N 1 0 338.455 3.071 50 0 EGAARO COCCn1cncc1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000252500572 455815746 /nfs/dbraw/zinc/81/57/46/455815746.db2.gz SXZXLPHYUZDAJT-KRWDZBQOSA-N 1 0 331.435 3.123 50 0 EGAARO O=C(CCc1cccc(O)c1)NCC1([NH+]2CCCC2)CCCCC1 ZINC000220644739 456040177 /nfs/dbraw/zinc/04/01/77/456040177.db2.gz OYZHWPIRDYKCGY-UHFFFAOYSA-N 1 0 330.472 3.240 50 0 EGAARO COc1ccccc1C1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000222394168 456047030 /nfs/dbraw/zinc/04/70/30/456047030.db2.gz ATRSJJHLYRJELL-UHFFFAOYSA-N 1 0 338.455 3.074 50 0 EGAARO Cc1nc(C2CC([NH3+])C2)cc(N2CCC(c3cccc(O)c3)CC2)n1 ZINC000223305915 456055182 /nfs/dbraw/zinc/05/51/82/456055182.db2.gz UKOIHFOADXHJNY-UHFFFAOYSA-N 1 0 338.455 3.079 50 0 EGAARO CCOC(=O)c1ccc(N[N+](=O)c2ccc(C(=O)OCC)cc2)cc1 ZINC000334160144 456309014 /nfs/dbraw/zinc/30/90/14/456309014.db2.gz LOOVRYZFUGHEMF-UHFFFAOYSA-O 1 0 343.359 3.478 50 0 EGAARO CCc1ccc(C(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)[nH]1 ZINC000426409139 457824379 /nfs/dbraw/zinc/82/43/79/457824379.db2.gz AZPKFXPNPSJDEK-GOSISDBHSA-N 1 0 329.419 3.283 50 0 EGAARO C[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)[NH+]1CCOCC1 ZINC000426428906 457828647 /nfs/dbraw/zinc/82/86/47/457828647.db2.gz JJIXHHIPGCXJIY-HNNXBMFYSA-N 1 0 345.464 3.150 50 0 EGAARO Cc1ccsc1CNc1cccc(C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000534653351 459342437 /nfs/dbraw/zinc/34/24/37/459342437.db2.gz BSKYCBFMPUQRPJ-DOTOQJQBSA-N 1 0 341.480 3.103 50 0 EGAARO C[C@H]1CCC[N@H+](CCNC(=O)N(C)Cc2cccc3ncccc23)C1 ZINC000534663399 459344764 /nfs/dbraw/zinc/34/47/64/459344764.db2.gz BUGVTPWWSIKBCX-INIZCTEOSA-N 1 0 340.471 3.108 50 0 EGAARO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n(C)c1 ZINC000215746367 534817570 /nfs/dbraw/zinc/81/75/70/534817570.db2.gz CVLXZRQXXRXJGZ-OAHLLOKOSA-N 1 0 336.439 3.484 50 0 EGAARO Cc1nc(CC[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)cs1 ZINC000244852732 526812811 /nfs/dbraw/zinc/81/28/11/526812811.db2.gz UXOVFSIMNBMKHJ-IBGZPJMESA-N 1 0 341.480 3.004 50 0 EGAARO COc1cccc(F)c1C(=O)NCC1([NH+]2CCCC2)CCCCC1 ZINC000219330909 537119427 /nfs/dbraw/zinc/11/94/27/537119427.db2.gz KAJAYHOILIEPNW-UHFFFAOYSA-N 1 0 334.435 3.363 50 0 EGAARO O=C1NC[C@@H]([NH2+]CCC2=CCCCC2)n2nc(-c3ccccc3)cc21 ZINC000169754454 546993259 /nfs/dbraw/zinc/99/32/59/546993259.db2.gz BKGBUAFYRGAMOI-IBGZPJMESA-N 1 0 336.439 3.272 50 0 EGAARO C[N@@H+]1CC[C@@](C)(C(=O)NCc2cc(COc3ccccc3)cs2)C1 ZINC000670449441 548217212 /nfs/dbraw/zinc/21/72/12/548217212.db2.gz WRJPXYBSYBECJV-LJQANCHMSA-N 1 0 344.480 3.285 50 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/nfs/dbraw/zinc/13/22/18/1291132218.db2.gz YRFCVFYFURKWKJ-MRXNPFEDSA-N 1 0 342.405 3.494 50 0 EGAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)C[C@@]1(c2cccc(F)c2)CCOC1 ZINC000019883666 1291193387 /nfs/dbraw/zinc/19/33/87/1291193387.db2.gz WLXVZRGPPRFUGB-FQEVSTJZSA-N 1 0 345.462 3.388 50 0 EGAARO C[NH+]1CCN(CCOCCOc2ccc(Cl)c3ccccc23)CC1 ZINC000022184756 1291210263 /nfs/dbraw/zinc/21/02/63/1291210263.db2.gz XYKOPVCQIOMBHF-UHFFFAOYSA-N 1 0 348.874 3.136 50 0 EGAARO Cc1cc2ncn([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)c2cc1C ZINC000023158986 1291231097 /nfs/dbraw/zinc/23/10/97/1291231097.db2.gz JJGWKLKHLNDGJN-RTWAWAEBSA-N 1 0 347.462 3.238 50 0 EGAARO CCc1ncc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)cn1 ZINC000064131505 1292044798 /nfs/dbraw/zinc/04/47/98/1292044798.db2.gz RGAOLWVWVRJLPD-KRWDZBQOSA-N 1 0 346.438 3.058 50 0 EGAARO O=C(NCc1cccc(F)c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000072171251 1292276743 /nfs/dbraw/zinc/27/67/43/1292276743.db2.gz XFYQUIIVGIXKFZ-SFHVURJKSA-N 1 0 333.451 3.376 50 0 EGAARO O=C(NCCCSCc1ccc(Cl)cc1)NC1CC[NH2+]CC1 ZINC000828015614 1292419184 /nfs/dbraw/zinc/41/91/84/1292419184.db2.gz KLXMNUDFIXVPCP-UHFFFAOYSA-N 1 0 341.908 3.015 50 0 EGAARO CC1=CCCC(C)=C[C@@H](O)[C@@H]2[C@@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000257199019 1296587001 /nfs/dbraw/zinc/58/70/01/1296587001.db2.gz PBRLWNMMGXHHMD-YRXWBPOGSA-N 1 0 333.472 3.068 50 0 biogenic EGAARO CCCn1c(C)nc2cc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000823024289 1320147874 /nfs/dbraw/zinc/14/78/74/1320147874.db2.gz RNRUFHPATWYMCY-HNNXBMFYSA-N 1 0 326.444 3.083 50 0 EGAARO CC[NH+](CC)[C@H](CNC(=O)N(C)Cc1ccnc(C)c1)c1ccco1 ZINC000823066686 1320151182 /nfs/dbraw/zinc/15/11/82/1320151182.db2.gz OUYLOSDSTLKVHU-QGZVFWFLSA-N 1 0 344.459 3.208 50 0 EGAARO CCOc1cccc(-c2nn3c(nnc3C3CC[NH+](C)CC3)s2)c1 ZINC000823391926 1320174369 /nfs/dbraw/zinc/17/43/69/1320174369.db2.gz XNUIUAOWKWTHNF-UHFFFAOYSA-N 1 0 343.456 3.061 50 0 EGAARO Cc1ccc(Cc2nn3c(nnc3C3CC[NH+](C)CC3)s2)cc1C ZINC000823765961 1320204393 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/nfs/dbraw/zinc/36/39/83/210363983.db2.gz UPODAAUDYZWWIL-UHFFFAOYSA-N 1 0 347.286 3.204 50 0 EGAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000097259247 219006104 /nfs/dbraw/zinc/00/61/04/219006104.db2.gz BPIPYRAGBZUKCN-ZDUSSCGKSA-N 1 0 325.391 3.069 50 0 EGAARO Clc1cccc(-c2ccc(CN3CCN([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000097259159 219006420 /nfs/dbraw/zinc/00/64/20/219006420.db2.gz BOXWOLYWPGNSNQ-KRWDZBQOSA-N 1 0 345.874 3.080 50 0 EGAARO CC[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1 ZINC000004839654 210294374 /nfs/dbraw/zinc/29/43/74/210294374.db2.gz JHBWZJNHFYYHQF-UHFFFAOYSA-N 1 0 328.412 3.131 50 0 EGAARO C[C@H](c1ccc(-c2cc(NCCO)ncn2)cc1)[NH+]1CCCCC1 ZINC000097468414 219027438 /nfs/dbraw/zinc/02/74/38/219027438.db2.gz RHVHPOBDYFANOO-OAHLLOKOSA-N 1 0 326.444 3.095 50 0 EGAARO CO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000097602322 219039953 /nfs/dbraw/zinc/03/99/53/219039953.db2.gz OMCCGXMXEYEISE-ROUUACIJSA-N 1 0 331.460 3.185 50 0 EGAARO C[C@H](C[NH+]1CCCC1)C(=O)NCc1cc(-c2ccccc2Cl)no1 ZINC000299772665 258084697 /nfs/dbraw/zinc/08/46/97/258084697.db2.gz ACOPFBPDQVVOGS-CYBMUJFWSA-N 1 0 347.846 3.343 50 0 EGAARO COc1ccc2c(c1)nc(C)cc2C(=O)NCCCC[NH+]1CCCC1 ZINC000299786157 258093205 /nfs/dbraw/zinc/09/32/05/258093205.db2.gz IWLNDSJJLPFLKG-UHFFFAOYSA-N 1 0 341.455 3.158 50 0 EGAARO Cc1ccc(NC(=O)N2CCC[C@@](CO)(C[NH+](C)C)C2)cc1C(C)C ZINC000299757468 258075533 /nfs/dbraw/zinc/07/55/33/258075533.db2.gz KAMOIOBJRBCTJH-HXUWFJFHSA-N 1 0 347.503 3.286 50 0 EGAARO CCN(CC)CC[N@H+](C)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000299758078 258076291 /nfs/dbraw/zinc/07/62/91/258076291.db2.gz AULASYKKPILOQD-IBGZPJMESA-N 1 0 337.552 3.221 50 0 EGAARO Cc1cc(=O)[nH]c(C)c1C(=O)NCC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000299760043 258077325 /nfs/dbraw/zinc/07/73/25/258077325.db2.gz UJEINFLIUWJXGK-KRWDZBQOSA-N 1 0 345.487 3.321 50 0 EGAARO c1ccc([C@@H]2C[C@H](c3noc(CN4CCCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299760219 258077566 /nfs/dbraw/zinc/07/75/66/258077566.db2.gz IEFUKZMBFKNEAT-KSZLIROESA-N 1 0 338.455 3.358 50 0 EGAARO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1C[NH+]1CCCCCC1 ZINC000101373095 296527260 /nfs/dbraw/zinc/52/72/60/296527260.db2.gz WFNSLBTVVDXNAC-UHFFFAOYSA-N 1 0 334.460 3.097 50 0 EGAARO c1cc2ncnc(N3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2s1 ZINC000343079387 155639139 /nfs/dbraw/zinc/63/91/39/155639139.db2.gz HTVWQINNKMOTHI-HOTGVXAUSA-N 1 0 336.464 3.260 50 0 EGAARO COCCN(C(=O)CC12CC3CC(CC(C3)C1)C2)C1CC[NH+](C)CC1 ZINC000055401556 292388588 /nfs/dbraw/zinc/38/85/88/292388588.db2.gz UWHLLRZILSXJSX-UHFFFAOYSA-N 1 0 348.531 3.162 50 0 EGAARO Cn1ccc2c1cccc2C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613503 226657518 /nfs/dbraw/zinc/65/75/18/226657518.db2.gz OTNPOMCTGDFKFI-QAPCUYQASA-N 1 0 325.456 3.173 50 0 EGAARO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]C(C)C)C3 ZINC000020598399 277368751 /nfs/dbraw/zinc/36/87/51/277368751.db2.gz KWBFHPQWTAICRJ-ZDUSSCGKSA-N 1 0 333.501 3.359 50 0 EGAARO COc1cccc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC000072149821 278010564 /nfs/dbraw/zinc/01/05/64/278010564.db2.gz LZAKYYACUUACBZ-NRFANRHFSA-N 1 0 336.435 3.205 50 0 EGAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)C[NH2+]C(C)C)[C@@H]3CCC1 ZINC000004635359 278892510 /nfs/dbraw/zinc/89/25/10/278892510.db2.gz REQHIGZKPANFBN-OXJNMPFZSA-N 1 0 341.499 3.002 50 0 EGAARO Cc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2ccc(F)cc2)C1 ZINC000000425743 302104852 /nfs/dbraw/zinc/10/48/52/302104852.db2.gz JPSWOXKMOJHNEY-FQEVSTJZSA-N 1 0 325.407 3.394 50 0 EGAARO Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000244724284 455275626 /nfs/dbraw/zinc/27/56/26/455275626.db2.gz MREDYCKXQHSKRV-QGZVFWFLSA-N 1 0 349.425 3.288 50 0 EGAARO Cc1cccc(S(=O)(=O)N(C)[C@H](C)CC[NH+]2CCC(C)CC2)c1 ZINC000000007275 452491981 /nfs/dbraw/zinc/49/19/81/452491981.db2.gz AGVNHDNTFYHZNL-QGZVFWFLSA-N 1 0 338.517 3.126 50 0 in-vivo EGAARO Cc1cc(N2CC[NH+](C)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002352261 452696324 /nfs/dbraw/zinc/69/63/24/452696324.db2.gz GJCMVZJAOUMCTR-UHFFFAOYSA-N 1 0 341.846 3.110 50 0 EGAARO CC[NH2+]Cc1cc(I)c(OCC)c(OCC)c1 ZINC000002859641 452729405 /nfs/dbraw/zinc/72/94/05/452729405.db2.gz YLWPVGOBUASGBL-UHFFFAOYSA-N 1 0 349.212 3.198 50 0 EGAARO COc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCCC3)cc1 ZINC000002974587 452738841 /nfs/dbraw/zinc/73/88/41/452738841.db2.gz IJAIXLFGCDJLOX-OAQYLSRUSA-N 1 0 337.443 3.346 50 0 EGAARO O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000005704794 452897772 /nfs/dbraw/zinc/89/77/72/452897772.db2.gz PWTHYXXHDHYSSJ-INIZCTEOSA-N 1 0 348.830 3.265 50 0 EGAARO S=C1NC2(CC[NH+](Cc3ccccc3)CC2)N=C1c1ccccc1 ZINC000006817146 452993313 /nfs/dbraw/zinc/99/33/13/452993313.db2.gz AOBCABIXZSRBPE-UHFFFAOYSA-N 1 0 335.476 3.399 50 0 EGAARO COc1cc(OC)c2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717254 453226125 /nfs/dbraw/zinc/22/61/25/453226125.db2.gz IJKUODPAXURUOV-LBPRGKRZSA-N 1 0 330.428 3.498 50 0 EGAARO COc1cc(OC)c2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008717253 453226393 /nfs/dbraw/zinc/22/63/93/453226393.db2.gz HEGWAILHDCWUST-UHFFFAOYSA-N 1 0 330.428 3.498 50 0 EGAARO O=C1N(CCc2ccccc2)CCC[C@]12CC[N@@H+](C1CCCC1)C2 ZINC000012303946 453354521 /nfs/dbraw/zinc/35/45/21/453354521.db2.gz ZBEMABNZBAGEEM-OAQYLSRUSA-N 1 0 326.484 3.486 50 0 EGAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c(OC)c1 ZINC000012383631 453358563 /nfs/dbraw/zinc/35/85/63/453358563.db2.gz QPKUSUITMDWTAM-QGZVFWFLSA-N 1 0 340.467 3.457 50 0 EGAARO COCc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)o1 ZINC000012592698 453379076 /nfs/dbraw/zinc/37/90/76/453379076.db2.gz XIEVFWQSFRQWOR-HXUWFJFHSA-N 1 0 329.440 3.243 50 0 EGAARO CN(C(=O)CCc1ccco1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012715194 453393529 /nfs/dbraw/zinc/39/35/29/453393529.db2.gz FUTKDFFRVQZCFV-IBGZPJMESA-N 1 0 340.467 3.378 50 0 EGAARO COc1cc(NC(=O)C[NH2+]CC2CCCCC2)c(OC)cc1Cl ZINC000013323173 453458246 /nfs/dbraw/zinc/45/82/46/453458246.db2.gz FPXJPTXOLKTJRO-UHFFFAOYSA-N 1 0 340.851 3.466 50 0 EGAARO Cc1c(C)n(-c2cccc(C)n2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000013691769 453482484 /nfs/dbraw/zinc/48/24/84/453482484.db2.gz WQSPKMHMVFOLGN-UHFFFAOYSA-N 1 0 338.459 3.104 50 0 EGAARO CC[NH+](CC)CCNc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000017287669 453631816 /nfs/dbraw/zinc/63/18/16/453631816.db2.gz OECQBXODWTWFMC-UHFFFAOYSA-N 1 0 344.850 3.223 50 0 EGAARO Cc1cccc(SC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000020384941 453664696 /nfs/dbraw/zinc/66/46/96/453664696.db2.gz HVDVXZSZJMISRT-LJQANCHMSA-N 1 0 342.508 3.270 50 0 EGAARO Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027582083 453818778 /nfs/dbraw/zinc/81/87/78/453818778.db2.gz OFQMLNZWFKSKHE-KRWDZBQOSA-N 1 0 344.480 3.389 50 0 EGAARO C[NH+](C)C1(CNC(=O)c2ccc(Br)o2)CCCCC1 ZINC000027579763 453818910 /nfs/dbraw/zinc/81/89/10/453818910.db2.gz FTHZCROWICXNMS-UHFFFAOYSA-N 1 0 329.238 3.036 50 0 EGAARO Cn1cc([C@H](CNC(=O)c2ccsc2)[NH+](C)C)c2ccccc21 ZINC000075149137 453867028 /nfs/dbraw/zinc/86/70/28/453867028.db2.gz WXDPDVSVLVZSNM-KRWDZBQOSA-N 1 0 327.453 3.273 50 0 EGAARO c1cc2c(ncnc2NC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000032553599 453877966 /nfs/dbraw/zinc/87/79/66/453877966.db2.gz PGBRYTAJGFURSV-UHFFFAOYSA-N 1 0 325.441 3.163 50 0 EGAARO Cc1nnc(-c2ccccc2-c2cc(F)cc3c2O[C@H](C[NH3+])C3)o1 ZINC000067757459 453963370 /nfs/dbraw/zinc/96/33/70/453963370.db2.gz CLKJDAOYCANIQM-ZDUSSCGKSA-N 1 0 325.343 3.113 50 0 EGAARO CN1CC[N@H+](C)CC12CCN(c1ccnc3cc(Cl)ccc31)CC2 ZINC000067786466 453965833 /nfs/dbraw/zinc/96/58/33/453965833.db2.gz RSKYKWRWZIJRKI-UHFFFAOYSA-N 1 0 344.890 3.104 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1cccs1)Cc1ccc(NC(C)=O)cc1 ZINC000055341669 453977840 /nfs/dbraw/zinc/97/78/40/453977840.db2.gz OXQOQIKZDTVETN-KRWDZBQOSA-N 1 0 332.469 3.480 50 0 EGAARO COc1cc2c(cc1C[NH+]1CCC([C@@H](O)CC(C)C)CC1)OCCO2 ZINC000077287982 454086518 /nfs/dbraw/zinc/08/65/18/454086518.db2.gz DKZAIWWTXLATNE-KRWDZBQOSA-N 1 0 349.471 3.085 50 0 EGAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000077377907 454099379 /nfs/dbraw/zinc/09/93/79/454099379.db2.gz KPKOALYPCYVZML-ZGRWHYIRSA-N 1 0 339.439 3.037 50 0 EGAARO CCCCc1ccc(-n2cc(CN3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cn2)cc1 ZINC000077408406 454102426 /nfs/dbraw/zinc/10/24/26/454102426.db2.gz XIAACTIUOLPCJN-PZJWPPBQSA-N 1 0 338.499 3.351 50 0 EGAARO Cc1c2cc(CNC(=O)[C@H]3C=CC[NH2+]3)ccc2[nH]c1-c1ccccc1F ZINC000077408373 454102628 /nfs/dbraw/zinc/10/26/28/454102628.db2.gz IANXZDXZVBAUPR-LJQANCHMSA-N 1 0 349.409 3.427 50 0 EGAARO CCc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000071384839 454206251 /nfs/dbraw/zinc/20/62/51/454206251.db2.gz NEYNPEBGVPSCBX-UHFFFAOYSA-N 1 0 337.467 3.182 50 0 EGAARO CCCc1nnc2sc(C3(c4ccccc4)CC[NH+](C)CC3)nn12 ZINC000071764246 454216460 /nfs/dbraw/zinc/21/64/60/454216460.db2.gz JCQHQTHIYZFVIL-UHFFFAOYSA-N 1 0 341.484 3.150 50 0 EGAARO CC(C)[NH+]1CCC(CC(=O)NC[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000095498795 454222219 /nfs/dbraw/zinc/22/22/19/454222219.db2.gz DUHVAQRULOCKHB-KRWDZBQOSA-N 1 0 338.879 3.000 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)NCC2(C)COC2)c1 ZINC000095500882 454222645 /nfs/dbraw/zinc/22/26/45/454222645.db2.gz JUMWHNGBJIEJNX-OAHLLOKOSA-N 1 0 331.460 3.219 50 0 EGAARO CCC[C@@H]1C[N@H+](Cc2[nH]c3ccc(OC)cc3c2C)C[C@H]1NC(C)=O ZINC000095515114 454224946 /nfs/dbraw/zinc/22/49/46/454224946.db2.gz XMRFYLYMUMJIQF-FOIQADDNSA-N 1 0 343.471 3.222 50 0 EGAARO Cc1nc2ccc(-c3nc(CC4CC[NH+](C)CC4)no3)cc2nc1C ZINC000095509555 454225216 /nfs/dbraw/zinc/22/52/16/454225216.db2.gz FXCBEIGKJSALTK-UHFFFAOYSA-N 1 0 337.427 3.181 50 0 EGAARO C[C@@]1(c2ccccc2)CCC[N@H+](CCC(=O)NCc2ccco2)C1 ZINC000095521664 454227427 /nfs/dbraw/zinc/22/74/27/454227427.db2.gz LLGUKYVZIHLKLG-HXUWFJFHSA-N 1 0 326.440 3.340 50 0 EGAARO Cc1nc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)cs1 ZINC000096138455 454291891 /nfs/dbraw/zinc/29/18/91/454291891.db2.gz MSJPSERUUGQBSE-OAHLLOKOSA-N 1 0 329.469 3.012 50 0 EGAARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Nc1cc(F)c(F)cc1F)C2 ZINC000096138124 454292238 /nfs/dbraw/zinc/29/22/38/454292238.db2.gz ROMQBOFTVXFIIU-INIZCTEOSA-N 1 0 327.350 3.054 50 0 EGAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC000090607308 454327657 /nfs/dbraw/zinc/32/76/57/454327657.db2.gz XDAVLEBCIKXDNW-KRWDZBQOSA-N 1 0 343.402 3.185 50 0 EGAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)C[C@@H]1CCC[N@H+]1C ZINC000097088241 454404028 /nfs/dbraw/zinc/40/40/28/454404028.db2.gz XJUWQHSEUHCMLA-KRWDZBQOSA-N 1 0 343.496 3.465 50 0 EGAARO CCc1nnc2n1C[C@H]([NH2+]Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000097199350 454421553 /nfs/dbraw/zinc/42/15/53/454421553.db2.gz PLKZFDMLTQPXEE-CYBMUJFWSA-N 1 0 340.402 3.344 50 0 EGAARO CCn1nc(C(C)C)cc1C(=O)NCC1([NH+]2CCCC2)CCCC1 ZINC000091326975 454427831 /nfs/dbraw/zinc/42/78/31/454427831.db2.gz QIAIORIZLMGQBX-UHFFFAOYSA-N 1 0 332.492 3.165 50 0 EGAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000091364676 454430129 /nfs/dbraw/zinc/43/01/29/454430129.db2.gz IJJWIRSWOBSSSJ-SFHVURJKSA-N 1 0 334.435 3.070 50 0 EGAARO Cc1cc(C)n(C2CN(Cc3ccc(C[NH+]4CCCC4)s3)C2)n1 ZINC000097480173 454437652 /nfs/dbraw/zinc/43/76/52/454437652.db2.gz QIMVSMPVDBOHQU-UHFFFAOYSA-N 1 0 330.501 3.214 50 0 EGAARO Cc1cccc2cc(C(=O)N3CCC4(C3)CC[NH+](C)CC4)c(C)nc12 ZINC000065372841 454554587 /nfs/dbraw/zinc/55/45/87/454554587.db2.gz AAIZIRKIEFZKGQ-UHFFFAOYSA-N 1 0 337.467 3.410 50 0 EGAARO Cc1nc(N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc(C(C)C)n1 ZINC000065393530 454559022 /nfs/dbraw/zinc/55/90/22/454559022.db2.gz JASJBBNJHXACNS-QGZVFWFLSA-N 1 0 325.460 3.380 50 0 EGAARO Cc1c(-c2ccc(Br)cc2)[n+](=O)c2c(n1O)CCCC2 ZINC000103721796 454565445 /nfs/dbraw/zinc/56/54/45/454565445.db2.gz PQBYUXPYWUSUOS-UHFFFAOYSA-N 1 0 336.209 3.257 50 0 EGAARO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000065425959 454566011 /nfs/dbraw/zinc/56/60/11/454566011.db2.gz YBNHTKLNNCMMIH-LJQANCHMSA-N 1 0 338.451 3.457 50 0 EGAARO CCc1nc(C)c(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3C)C2)o1 ZINC000065457111 454570021 /nfs/dbraw/zinc/57/00/21/454570021.db2.gz 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Cc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+]2CCCC2)o1 ZINC000015860232 211862196 /nfs/dbraw/zinc/86/21/96/211862196.db2.gz QZRPHSUXKINSIH-KRWDZBQOSA-N 1 0 342.439 3.229 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000082107723 217467225 /nfs/dbraw/zinc/46/72/25/217467225.db2.gz DKXNRBYDVNKOPQ-SFHVURJKSA-N 1 0 327.403 3.140 50 0 EGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000012318577 211343316 /nfs/dbraw/zinc/34/33/16/211343316.db2.gz SCBCZBMKUNASDT-QGZVFWFLSA-N 1 0 331.460 3.184 50 0 EGAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000012307889 211341471 /nfs/dbraw/zinc/34/14/71/211341471.db2.gz FJGYNCKEEQLOBZ-QGZVFWFLSA-N 1 0 339.439 3.059 50 0 EGAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1OC ZINC000012304574 211339202 /nfs/dbraw/zinc/33/92/02/211339202.db2.gz VBYWHUGFIOYQJB-QGZVFWFLSA-N 1 0 340.423 3.194 50 0 EGAARO Cc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2=O)c1 ZINC000012200884 211319356 /nfs/dbraw/zinc/31/93/56/211319356.db2.gz 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COc1cccc2cccc([C@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c21 ZINC000004741784 278043628 /nfs/dbraw/zinc/04/36/28/278043628.db2.gz XHELBNITNZANBT-SFHVURJKSA-N 1 0 343.390 3.294 50 0 EGAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000059268631 278401081 /nfs/dbraw/zinc/40/10/81/278401081.db2.gz AQZSCLDFLZZVQI-ZDUSSCGKSA-N 1 0 341.249 3.331 50 0 EGAARO O=C(c1ccccc1C[NH+]1CCC2(CC1)OCCO2)C1CCCC1 ZINC000002515757 280213326 /nfs/dbraw/zinc/21/33/26/280213326.db2.gz HNXLUGVTJQQVMQ-UHFFFAOYSA-N 1 0 329.440 3.398 50 0 EGAARO c1coc(CN2CCC([NH2+][C@@H]3[C@@H](C4CCCC4)[C@H]4OCC[C@@H]34)CC2)c1 ZINC000222730560 280504103 /nfs/dbraw/zinc/50/41/03/280504103.db2.gz CAMWUHVQDOKMHU-WOZUAGRISA-N 1 0 344.499 3.427 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212091 452536267 /nfs/dbraw/zinc/53/62/67/452536267.db2.gz BXUMZSCTKAQEKH-GOSISDBHSA-N 1 0 330.472 3.310 50 0 EGAARO COc1ccccc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000000317684 452564386 /nfs/dbraw/zinc/56/43/86/452564386.db2.gz QJTAQFWGYYGRHQ-UHFFFAOYSA-N 1 0 330.472 3.166 50 0 EGAARO CC(C)[NH+](CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C ZINC000001530617 452667485 /nfs/dbraw/zinc/66/74/85/452667485.db2.gz UVTNFZQICZKOEM-OAQYLSRUSA-N 1 0 339.483 3.362 50 0 fda EGAARO CC[NH+](CC)CCOC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000001834539 452678586 /nfs/dbraw/zinc/67/85/86/452678586.db2.gz YWLDYYUJRSMOSF-UHFFFAOYSA-N 1 0 347.455 3.155 50 0 biogenic EGAARO O=C(CC[N@@H+](CCO)Cc1ccccc1)Nc1ccccc1Cl ZINC000002760785 452720910 /nfs/dbraw/zinc/72/09/10/452720910.db2.gz VPMUEECIUKPEHP-UHFFFAOYSA-N 1 0 332.831 3.163 50 0 EGAARO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000002862727 452730010 /nfs/dbraw/zinc/73/00/10/452730010.db2.gz DCTSHABEOZVDGA-GHMZBOCLSA-N 1 0 333.259 3.075 50 0 EGAARO COc1ccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000003138564 452746432 /nfs/dbraw/zinc/74/64/32/452746432.db2.gz VXPMVXBRBVQBSR-UHFFFAOYSA-N 1 0 347.411 3.019 50 0 EGAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCc3ccco3)c12 ZINC000005347403 452862434 /nfs/dbraw/zinc/86/24/34/452862434.db2.gz OSYJRUJQOGCWFX-UHFFFAOYSA-N 1 0 327.432 3.205 50 0 EGAARO Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000005704753 452897023 /nfs/dbraw/zinc/89/70/23/452897023.db2.gz WWJWWCMJUNBMKL-KRWDZBQOSA-N 1 0 342.439 3.229 50 0 EGAARO COc1cc(C[NH2+]CCO)ccc1OCc1c(F)cccc1Cl ZINC000008471335 453204900 /nfs/dbraw/zinc/20/49/00/453204900.db2.gz XRVWLKPAPDCHSH-UHFFFAOYSA-N 1 0 339.794 3.149 50 0 EGAARO COC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008714043 453225546 /nfs/dbraw/zinc/22/55/46/453225546.db2.gz GBCCLUZCDSBFPZ-GFCCVEGCSA-N 1 0 328.412 3.410 50 0 EGAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008990810 453239581 /nfs/dbraw/zinc/23/95/81/453239581.db2.gz SDEJEOWHEFADKQ-INIZCTEOSA-N 1 0 328.412 3.245 50 0 EGAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C(C)C)CC2)c1 ZINC000012596527 453382507 /nfs/dbraw/zinc/38/25/07/453382507.db2.gz TWYPQVFOAQLIMU-UHFFFAOYSA-N 1 0 346.471 3.183 50 0 EGAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)c(OC)c1 ZINC000013647217 453478675 /nfs/dbraw/zinc/47/86/75/453478675.db2.gz AQGDSJZTCKDRKD-MRXNPFEDSA-N 1 0 334.460 3.088 50 0 EGAARO COc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(C)cc3)C2)cc1 ZINC000015962078 453590640 /nfs/dbraw/zinc/59/06/40/453590640.db2.gz SHERPGGHJQVOJJ-OAQYLSRUSA-N 1 0 337.443 3.264 50 0 EGAARO COc1cccc(N2CCC(N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)c1 ZINC000019791141 453659436 /nfs/dbraw/zinc/65/94/36/453659436.db2.gz OAFJANDWLIXYHK-HXUWFJFHSA-N 1 0 343.515 3.224 50 0 EGAARO CC[C@@H](Oc1ccccc1F)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027579767 453818801 /nfs/dbraw/zinc/81/88/01/453818801.db2.gz CRPVJECJGYIOML-MRXNPFEDSA-N 1 0 336.451 3.364 50 0 EGAARO CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000028289257 453822945 /nfs/dbraw/zinc/82/29/45/453822945.db2.gz YCPGGQZYMHKWQB-FQEVSTJZSA-N 1 0 340.467 3.355 50 0 EGAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)C1CCCC1 ZINC000082100254 453923769 /nfs/dbraw/zinc/92/37/69/453923769.db2.gz 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/nfs/dbraw/zinc/09/15/10/454091510.db2.gz IKUSHJVKTBIVHI-INIZCTEOSA-N 1 0 338.442 3.350 50 0 EGAARO O=C(c1cccc([C@@H]2CC[NH2+]C2)c1)N1CCC(c2ccncc2)CC1 ZINC000077392033 454101298 /nfs/dbraw/zinc/10/12/98/454101298.db2.gz ZIQOGYNIYWITSW-HXUWFJFHSA-N 1 0 335.451 3.178 50 0 EGAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1Cn1cccn1 ZINC000077454759 454107445 /nfs/dbraw/zinc/10/74/45/454107445.db2.gz OWYITWAXLKKIJX-IBGZPJMESA-N 1 0 341.455 3.239 50 0 EGAARO C[C@@H](C(=O)N1CCCN(Cc2cccs2)CC1)[NH+]1CCCCCC1 ZINC000077539855 454119814 /nfs/dbraw/zinc/11/98/14/454119814.db2.gz YMGPYJQKLZYOLM-KRWDZBQOSA-N 1 0 349.544 3.047 50 0 EGAARO CN(CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000044916906 454126633 /nfs/dbraw/zinc/12/66/33/454126633.db2.gz OTYDEWGDUBYVPX-UHFFFAOYSA-N 1 0 337.467 3.149 50 0 EGAARO Cc1nc(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)no1 ZINC000071760283 454215798 /nfs/dbraw/zinc/21/57/98/454215798.db2.gz MKGDNCZHVAJTKE-SFHVURJKSA-N 1 0 346.450 3.250 50 0 EGAARO CC[N@@H+]1CCCC[C@@H]1CNc1nccc(-c2ccc(C)nc2C)n1 ZINC000071762380 454215809 /nfs/dbraw/zinc/21/58/09/454215809.db2.gz ARSVLHNQYVWRLQ-MRXNPFEDSA-N 1 0 325.460 3.442 50 0 EGAARO CCn1cc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c2ccccc21 ZINC000071767869 454216367 /nfs/dbraw/zinc/21/63/67/454216367.db2.gz FNFLEQLKWTZJRK-KRWDZBQOSA-N 1 0 325.456 3.248 50 0 EGAARO COc1ccc([C@@H]2C[N@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071776235 454218874 /nfs/dbraw/zinc/21/88/74/454218874.db2.gz BVFSEIGCZFSZTI-BHDDXSALSA-N 1 0 349.478 3.152 50 0 EGAARO COc1c(C)cc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000095501909 454222667 /nfs/dbraw/zinc/22/26/67/454222667.db2.gz XNRYHQNSFRQQLD-UHFFFAOYSA-N 1 0 340.427 3.061 50 0 EGAARO CCN(CC[NH+](C)C)C(=O)Nc1ccccc1OCc1ccccn1 ZINC000095516579 454226173 /nfs/dbraw/zinc/22/61/73/454226173.db2.gz FTUPIQPQPHUYSB-UHFFFAOYSA-N 1 0 342.443 3.076 50 0 EGAARO CCN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000095525856 454227650 /nfs/dbraw/zinc/22/76/50/454227650.db2.gz DAPAXFTUCPMUSW-UHFFFAOYSA-N 1 0 328.416 3.289 50 0 EGAARO COc1ccc(C[C@@H](C[NH+](C)C)C(=O)c2ccccc2)cc1OC ZINC000096027164 454264667 /nfs/dbraw/zinc/26/46/67/454264667.db2.gz WQWYKNKIWVZFBE-KRWDZBQOSA-N 1 0 327.424 3.307 50 0 EGAARO CSCCc1nc([C@@H]2CCC[NH2+]CC2)n(Cc2ccc(F)cc2)n1 ZINC000096138702 454291635 /nfs/dbraw/zinc/29/16/35/454291635.db2.gz ZRZAFWASJMPQSH-OAHLLOKOSA-N 1 0 348.491 3.228 50 0 EGAARO COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc3cc(C)oc32)C1 ZINC000096150469 454292562 /nfs/dbraw/zinc/29/25/62/454292562.db2.gz MWSILDKWIPNJDA-OAHLLOKOSA-N 1 0 345.443 3.221 50 0 EGAARO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000096343606 454319019 /nfs/dbraw/zinc/31/90/19/454319019.db2.gz NMAOABNYFXQXKE-CRAIPNDOSA-N 1 0 325.456 3.173 50 0 EGAARO Cn1ccc2ccc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc21 ZINC000096343517 454319347 /nfs/dbraw/zinc/31/93/47/454319347.db2.gz LJHXKSQDEWTYLC-QZTJIDSGSA-N 1 0 325.456 3.173 50 0 EGAARO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)CC2 ZINC000097199434 454422045 /nfs/dbraw/zinc/42/20/45/454422045.db2.gz YCUYHVJKNQRSMR-GFCCVEGCSA-N 1 0 333.505 3.260 50 0 EGAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCCSCc1ccccc1F ZINC000097492555 454438676 /nfs/dbraw/zinc/43/86/76/454438676.db2.gz SDEGBYDJGKWSFZ-QGZVFWFLSA-N 1 0 338.492 3.440 50 0 EGAARO Cc1cc(N2CCC[N@@H+](CC(C)C)CC2)nc(-c2cccnc2)n1 ZINC000065387142 454557173 /nfs/dbraw/zinc/55/71/73/454557173.db2.gz QIEYBROERYMOMA-UHFFFAOYSA-N 1 0 325.460 3.015 50 0 EGAARO COc1ccc(C[N@@H+]2CCC=C([C@@H]3CCCCN3C(C)=O)C2)cc1 ZINC000065395636 454558800 /nfs/dbraw/zinc/55/88/00/454558800.db2.gz PRQPRVMXHIWJHX-FQEVSTJZSA-N 1 0 328.456 3.228 50 0 EGAARO Cc1nc(-c2cccc(Cn3cccn3)c2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065435453 454567043 /nfs/dbraw/zinc/56/70/43/454567043.db2.gz CRXIUPLCRHGQMK-UHFFFAOYSA-N 1 0 330.395 3.191 50 0 EGAARO O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2ccsc2)CC1 ZINC000092535374 454582481 /nfs/dbraw/zinc/58/24/81/454582481.db2.gz BKZZSNPYDXPHRL-UHFFFAOYSA-N 1 0 332.444 3.164 50 0 EGAARO O=C(c1cncc(F)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000127480491 454969136 /nfs/dbraw/zinc/96/91/36/454969136.db2.gz ASUHAKQYQRYXEU-UHFFFAOYSA-N 1 0 341.430 3.001 50 0 EGAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)cc1Br ZINC000248265954 455702753 /nfs/dbraw/zinc/70/27/53/455702753.db2.gz ZDCJQKAYRRBPHW-UHOFOFEASA-N 1 0 340.261 3.413 50 0 EGAARO Cc1ccc(SCCCNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)cc1 ZINC000252539907 455821582 /nfs/dbraw/zinc/82/15/82/455821582.db2.gz ORDLHMCLLQQEKR-OKILXGFUSA-N 1 0 344.484 3.200 50 0 EGAARO CSCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cccc1 ZINC000253406190 455840133 /nfs/dbraw/zinc/84/01/33/455840133.db2.gz ITDNLKJUIHRNCA-RCCFBDPRSA-N 1 0 349.544 3.163 50 0 biogenic EGAARO C[C@@H](O)[C@]1([NH3+])CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000261361530 455900376 /nfs/dbraw/zinc/90/03/76/455900376.db2.gz MOBNEFXLJAPAPL-WJAWIKDZSA-N 1 0 333.516 3.388 50 0 EGAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C ZINC000219833013 456036447 /nfs/dbraw/zinc/03/64/47/456036447.db2.gz JYZAMXLHCPXZAI-PMACEKPBSA-N 1 0 338.451 3.111 50 0 EGAARO CSc1nc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000222225580 456046671 /nfs/dbraw/zinc/04/66/71/456046671.db2.gz TTWICYKYGQSTQJ-UHFFFAOYSA-N 1 0 347.509 3.391 50 0 EGAARO Cc1ccc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC000223944551 456062231 /nfs/dbraw/zinc/06/22/31/456062231.db2.gz JKXIVTQRLHNBRO-UHFFFAOYSA-N 1 0 328.481 3.450 50 0 EGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3c[nH]nc3-c3ccccc3)[C@H]2C1 ZINC000299774369 456781040 /nfs/dbraw/zinc/78/10/40/456781040.db2.gz HJPIXCNLORLVKI-WSTZPKSXSA-N 1 0 341.455 3.235 50 0 EGAARO Cc1ccc(N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)nn1 ZINC000426414326 457826973 /nfs/dbraw/zinc/82/69/73/457826973.db2.gz JZEBJGAPOJBXOS-NRFANRHFSA-N 1 0 336.483 3.320 50 0 EGAARO CSc1nc(C(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)cs1 ZINC000426438522 457830624 /nfs/dbraw/zinc/83/06/24/457830624.db2.gz CRFXIROKTIVIKN-ZDUSSCGKSA-N 1 0 335.498 3.288 50 0 EGAARO Cc1ccc([C@@]2(C(=O)NCCNc3cc[nH+]cc3C)CC2(C)C)cc1 ZINC000426477858 457838172 /nfs/dbraw/zinc/83/81/72/457838172.db2.gz GGQSGQRTXVDBLQ-OAQYLSRUSA-N 1 0 337.467 3.016 50 0 EGAARO O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(Cc2cccnc2)CC1 ZINC000426726700 457887090 /nfs/dbraw/zinc/88/70/90/457887090.db2.gz FGHNEQAIPDNRPS-WOJBJXKFSA-N 1 0 341.499 3.127 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000426740438 457890043 /nfs/dbraw/zinc/89/00/43/457890043.db2.gz JEIPYRSPZPWCOC-LJQANCHMSA-N 1 0 344.503 3.410 50 0 EGAARO Cc1cccnc1[C@H](NC(=O)C1([NH+]2CCCC2)CCCC1)C1CC1 ZINC000534632457 459339202 /nfs/dbraw/zinc/33/92/02/459339202.db2.gz IUMRYBFOOHWCMZ-GOSISDBHSA-N 1 0 327.472 3.366 50 0 EGAARO C[C@H](CCNc1ccc2cccc(Cl)c2n1)[NH+]1CCN(C)CC1 ZINC000534670091 478169144 /nfs/dbraw/zinc/16/91/44/478169144.db2.gz OBFYVZPHMYQARK-CQSZACIVSA-N 1 0 332.879 3.326 50 0 EGAARO O=C(COc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012863621 526984383 /nfs/dbraw/zinc/98/43/83/526984383.db2.gz RAJJVBUPYXVAMY-KRWDZBQOSA-N 1 0 328.412 3.002 50 0 EGAARO COc1ccccc1CCNc1cc(C2CC([NH3+])C2)nc(C2CC2)n1 ZINC000222976143 547246972 /nfs/dbraw/zinc/24/69/72/547246972.db2.gz ZCDQVOQHGYUWTQ-UHFFFAOYSA-N 1 0 338.455 3.222 50 0 EGAARO CCNC(=O)c1ccc(NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)nc1 ZINC000670437331 548216126 /nfs/dbraw/zinc/21/61/26/548216126.db2.gz AOOLDEZCTMNNSF-SFHVURJKSA-N 1 0 344.503 3.430 50 0 EGAARO O[C@]1(c2ccccc2)CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000670445959 548217481 /nfs/dbraw/zinc/21/74/81/548217481.db2.gz CQCOIMLVGBOPAC-JOCHJYFZSA-N 1 0 336.479 3.245 50 0 EGAARO CCCn1cc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(C)n1 ZINC000012595709 1291132746 /nfs/dbraw/zinc/13/27/46/1291132746.db2.gz QZBGDYGCGLLREA-NRFANRHFSA-N 1 0 341.499 3.419 50 0 EGAARO C/C=C(\C)C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000012578241 1291133337 /nfs/dbraw/zinc/13/33/37/1291133337.db2.gz MDXSZIFCOGZXAM-VREQBZOKSA-N 1 0 342.483 3.476 50 0 EGAARO C[C@H](COc1ccccc1)[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000015067291 1291145911 /nfs/dbraw/zinc/14/59/11/1291145911.db2.gz FEDGJPUMESTNHE-MRXNPFEDSA-N 1 0 330.472 3.225 50 0 EGAARO c1cc(-c2cn(C3CC[NH+](Cc4cccnc4)CC3)nn2)cs1 ZINC000019112947 1291191000 /nfs/dbraw/zinc/19/10/00/1291191000.db2.gz RMYREGQZGNAZTL-UHFFFAOYSA-N 1 0 325.441 3.239 50 0 EGAARO CCCc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cn1 ZINC000055211475 1291776324 /nfs/dbraw/zinc/77/63/24/1291776324.db2.gz BVFJDRKUFGTMRM-FQEVSTJZSA-N 1 0 328.504 3.127 50 0 EGAARO COc1ccc(C[NH+]2CCC3(CCCO3)CC2)cc1Cn1cccn1 ZINC000071750424 1292268434 /nfs/dbraw/zinc/26/84/34/1292268434.db2.gz LYBIBURPSABAIT-UHFFFAOYSA-N 1 0 341.455 3.085 50 0 EGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc2nccnc2c1 ZINC000828168645 1292438250 /nfs/dbraw/zinc/43/82/50/1292438250.db2.gz IGKMILGPXHMEQP-UHFFFAOYSA-N 1 0 332.407 3.478 50 0 EGAARO CO[C@@H]1CCC[C@@]12CCC[N@H+](Cc1cnc(N3CCCCC3)nc1)C2 ZINC001704302087 1416433841 /nfs/dbraw/zinc/43/38/41/1416433841.db2.gz BJGSZAYGXYPBNT-QUCCMNQESA-N 1 0 344.503 3.248 50 0 EGAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2cc(C(N)=O)oc2C(C)(C)C)n1 ZINC001704348029 1416451573 /nfs/dbraw/zinc/45/15/73/1416451573.db2.gz AJLCJALXOXAGGB-UHFFFAOYSA-N 1 0 346.475 3.011 50 0 EGAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(OC)c(COC)c2)C1 ZINC001704352762 1416453173 /nfs/dbraw/zinc/45/31/73/1416453173.db2.gz FJRLKXLYPSPEFQ-QGZVFWFLSA-N 1 0 343.471 3.438 50 0 EGAARO COC(C)(C)C[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2ccccc2C)CC1 ZINC001772805105 1441417345 /nfs/dbraw/zinc/41/73/45/1441417345.db2.gz HNNFBKSXNVFKDW-GOSISDBHSA-N 1 0 346.515 3.275 50 0 EGAARO CCn1cc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)c(C)n1 ZINC000055211269 214288996 /nfs/dbraw/zinc/28/89/96/214288996.db2.gz WTGJDOHRQASKSX-SFHVURJKSA-N 1 0 348.454 3.231 50 0 EGAARO COCCn1ccnc1C[N@@H+]1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000055393400 214316662 /nfs/dbraw/zinc/31/66/62/214316662.db2.gz RQCHNRKOWPFPKL-GOSISDBHSA-N 1 0 343.471 3.222 50 0 EGAARO CC(=O)Oc1c(C)cc(C[N@@H+](Cc2cnn(C)c2)C2CC2)cc1C ZINC000055341521 214308498 /nfs/dbraw/zinc/30/84/98/214308498.db2.gz MHUBPHJPEWPRLS-UHFFFAOYSA-N 1 0 327.428 3.127 50 0 EGAARO CCC(=O)Nc1cccc(C(=O)N(CC)CC[NH+]2CCCCCC2)c1 ZINC000055340833 214308601 /nfs/dbraw/zinc/30/86/01/214308601.db2.gz NOIVURITUYSSGV-UHFFFAOYSA-N 1 0 345.487 3.373 50 0 EGAARO c1ccc(-n2nc(C3CCOCC3)nc2[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000097805537 219057657 /nfs/dbraw/zinc/05/76/57/219057657.db2.gz OTUUXTPESQNOEP-KRWDZBQOSA-N 1 0 338.455 3.018 50 0 EGAARO COc1cc(C)sc1C(=O)N[C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000215558179 536708648 /nfs/dbraw/zinc/70/86/48/536708648.db2.gz XXRYTMXSPXAPLS-ZDUSSCGKSA-N 1 0 344.480 3.242 50 0 EGAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC000098211936 219087337 /nfs/dbraw/zinc/08/73/37/219087337.db2.gz XKDRXCFGFCFYNC-AWEZNQCLSA-N 1 0 341.455 3.176 50 0 EGAARO CCOC(=O)[C@@H]1CC2(CCN(Cc3ccccc3)CC2)[N@@H+]2CCC[C@H]12 ZINC000004342725 210175960 /nfs/dbraw/zinc/17/59/60/210175960.db2.gz XQKPAWKYOKHCKG-RTBURBONSA-N 1 0 342.483 3.069 50 0 EGAARO 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O=C1CCCCN1CC[NH2+]Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000019641771 212052782 /nfs/dbraw/zinc/05/27/82/212052782.db2.gz YCOWORRIIJWJQU-UHFFFAOYSA-N 1 0 348.450 3.332 50 0 EGAARO COc1ccc([N+]2=C3CCCCN3C[C@@]2(O)c2ccc(C)cc2)cc1 ZINC000017124586 211955685 /nfs/dbraw/zinc/95/56/85/211955685.db2.gz JEZJMGDYWCTUST-OAQYLSRUSA-N 1 0 337.443 3.264 50 0 EGAARO CCc1cc(C)cc(OC[C@@H](O)C[n+]2c(C)n(C)c3ccccc32)c1 ZINC000015746169 211848935 /nfs/dbraw/zinc/84/89/35/211848935.db2.gz PXVBEKPTBLXRMM-SFHVURJKSA-N 1 0 339.459 3.085 50 0 EGAARO COc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C)CC2)cc1 ZINC000014887768 211769707 /nfs/dbraw/zinc/76/97/07/211769707.db2.gz MFMPVQLVKPQHAR-UHFFFAOYSA-N 1 0 338.451 3.238 50 0 EGAARO COc1ccc(CNc2cnn(C)c2C)cc1C[NH+]1CCCCC1 ZINC000012395146 211368403 /nfs/dbraw/zinc/36/84/03/211368403.db2.gz JZFJRVYYRBCVQH-UHFFFAOYSA-N 1 0 328.460 3.335 50 0 EGAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CC[N@@H+](C1CCC1)C2 ZINC000012314528 211344818 /nfs/dbraw/zinc/34/48/18/211344818.db2.gz 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Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000097301239 219010525 /nfs/dbraw/zinc/01/05/25/219010525.db2.gz QJVMXWJJXAIABE-AWEZNQCLSA-N 1 0 338.455 3.084 50 0 EGAARO COc1cc(OCc2ccccc2)ccc1CN1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000097259160 219006112 /nfs/dbraw/zinc/00/61/12/219006112.db2.gz NHKKZMQVEVZQKV-FXAWDEMLSA-N 1 0 338.451 3.068 50 0 EGAARO CC[C@@H]1CN(C(=O)Nc2cc(F)c(C(F)(F)F)c(F)c2)CC[NH2+]1 ZINC000097532467 219034616 /nfs/dbraw/zinc/03/46/16/219034616.db2.gz WLFBXEQPMGBOCC-MRVPVSSYSA-N 1 0 337.292 3.199 50 0 EGAARO Cc1ccc(OCC[NH3+])c(C(=O)NCc2cc3ccccc3s2)c1 ZINC000426674161 257959240 /nfs/dbraw/zinc/95/92/40/257959240.db2.gz IGHPIRMPFRHIOP-UHFFFAOYSA-N 1 0 340.448 3.477 50 0 EGAARO COc1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c(OCC[NH3+])c1 ZINC000426661403 257959365 /nfs/dbraw/zinc/95/93/65/257959365.db2.gz WWVBDIOBGJJTCV-HNNXBMFYSA-N 1 0 342.439 3.141 50 0 EGAARO COc1cc(C)c(C[N@@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)c(C)c1C ZINC000299776554 258086802 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COc1ccc(OCCC[NH3+])c(C(=O)N(C)Cc2ccc(C)s2)c1 ZINC000299759666 258076847 /nfs/dbraw/zinc/07/68/47/258076847.db2.gz NXRUMPZPBMZQBC-UHFFFAOYSA-N 1 0 348.468 3.065 50 0 EGAARO Cn1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cn1 ZINC000299759402 258076971 /nfs/dbraw/zinc/07/69/71/258076971.db2.gz RMVJRGWPUNQGKX-BBWFWOEESA-N 1 0 335.411 3.163 50 0 EGAARO O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1Cc1ccc(Cl)s1 ZINC000299760639 258078122 /nfs/dbraw/zinc/07/81/22/258078122.db2.gz IQPXRLMBHZLNJP-AWEZNQCLSA-N 1 0 349.887 3.467 50 0 EGAARO Cc1cccc(SC2CCN(c3cc(CC[NH3+])nc(C)n3)CC2)c1 ZINC000067674776 132811966 /nfs/dbraw/zinc/81/19/66/132811966.db2.gz XXIXJALEUCSTMB-UHFFFAOYSA-N 1 0 342.512 3.356 50 0 EGAARO Cc1nc(C2CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)no1 ZINC000095502229 274838596 /nfs/dbraw/zinc/83/85/96/274838596.db2.gz QIYDEIBNBNSITB-HNNXBMFYSA-N 1 0 327.428 3.199 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)NCCc2ccccc2C(F)(F)F)CC1 ZINC000073033400 275625976 /nfs/dbraw/zinc/62/59/76/275625976.db2.gz RXQDXBNELBUJQN-UHFFFAOYSA-N 1 0 342.405 3.485 50 0 EGAARO CC(C)c1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000092887 452504444 /nfs/dbraw/zinc/50/44/44/452504444.db2.gz RXLNMMLQPFSTRK-UHFFFAOYSA-N 1 0 338.517 3.398 50 0 EGAARO Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000000141339 452518749 /nfs/dbraw/zinc/51/87/49/452518749.db2.gz BVZOCOTYWDPGCO-UHFFFAOYSA-N 1 0 338.517 3.199 50 0 EGAARO C[NH+](C)CCCN1c2cccc3c4c(n(c32)CCC1=O)CCCC4 ZINC000000403639 452579902 /nfs/dbraw/zinc/57/99/02/452579902.db2.gz BVUGOFRTBCIFFZ-UHFFFAOYSA-N 1 0 325.456 3.209 50 0 EGAARO CC[NH+](CC)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002459129 452697766 /nfs/dbraw/zinc/69/77/66/452697766.db2.gz VQXHXCBYFGPRMT-HZPDHXFCSA-N 1 0 344.908 3.271 50 0 EGAARO O=C(CC[N@@H+](CCO)Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000002760726 452720450 /nfs/dbraw/zinc/72/04/50/452720450.db2.gz BNMZSFIAOLSMFW-UHFFFAOYSA-N 1 0 332.831 3.163 50 0 EGAARO c1cc(-c2ccc(SCC[NH+]3CCCCC3)nn2)cc2c1OCO2 ZINC000005410644 452868879 /nfs/dbraw/zinc/86/88/79/452868879.db2.gz LCMSKNQXSIQEOY-UHFFFAOYSA-N 1 0 343.452 3.450 50 0 EGAARO CCCc1nc2sc3c(ncnc3NCC[NH3+])c2c2c1CCC2 ZINC000005423634 452870602 /nfs/dbraw/zinc/87/06/02/452870602.db2.gz BMRKJGFLODYGEW-UHFFFAOYSA-N 1 0 327.457 3.051 50 0 EGAARO CCCOc1ccccc1OCC[NH+]1CCC(C(=O)OCC)CC1 ZINC000006701205 452971463 /nfs/dbraw/zinc/97/14/63/452971463.db2.gz GWLDWGAVTYBMDC-UHFFFAOYSA-N 1 0 335.444 3.129 50 0 EGAARO CCOC(=O)C1CC[NH+](CCCCOc2ccccc2OC)CC1 ZINC000006701296 452972536 /nfs/dbraw/zinc/97/25/36/452972536.db2.gz KEZHKHFCHGQCNF-UHFFFAOYSA-N 1 0 335.444 3.129 50 0 EGAARO NC(=O)COc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000006747427 452982731 /nfs/dbraw/zinc/98/27/31/452982731.db2.gz RDJVVOQGVNWBQK-UHFFFAOYSA-N 1 0 331.243 3.280 50 0 EGAARO Cc1ccc2c(=O)c(C[N@@H+](C)C3CCN(C)CC3)c(C)[nH]c2c1C ZINC000008582445 453217354 /nfs/dbraw/zinc/21/73/54/453217354.db2.gz SSWJAIPAVAXMPM-UHFFFAOYSA-N 1 0 327.472 3.392 50 0 EGAARO COc1ccc(CC(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1 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Cc1ccc2cc(C[NH2+]CC(C)C)c(N3CCC(O)CC3)nc2c1 ZINC000014999343 453550735 /nfs/dbraw/zinc/55/07/35/453550735.db2.gz HPVHKSKHLKNVJX-UHFFFAOYSA-N 1 0 327.472 3.250 50 0 EGAARO Cc1cccc(C)c1OC[C@H](O)C[n+]1cn(C)c2cc(C)c(C)cc21 ZINC000015746221 453584207 /nfs/dbraw/zinc/58/42/07/453584207.db2.gz PBIOFNLHHGEBLM-GOSISDBHSA-N 1 0 339.459 3.139 50 0 EGAARO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c(OC)c1 ZINC000016624189 453616387 /nfs/dbraw/zinc/61/63/87/453616387.db2.gz BLUGGARQGRPYQI-AWEZNQCLSA-N 1 0 347.459 3.090 50 0 EGAARO CCC[C@@H]1CN(Cc2cccc(Cn3cccn3)c2)C[C@H]1[NH+](C)C ZINC000082120476 453925635 /nfs/dbraw/zinc/92/56/35/453925635.db2.gz CLIUOPORUYTWPH-WOJBJXKFSA-N 1 0 326.488 3.094 50 0 EGAARO Cc1ccc2nc(N3CCC([N@@H+]4CCC[C@H](O)C4)CC3)sc2c1 ZINC000077286900 454086177 /nfs/dbraw/zinc/08/61/77/454086177.db2.gz ZBWYQGVZNNJFKL-HNNXBMFYSA-N 1 0 331.485 3.030 50 0 EGAARO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc(C)[nH+]1 ZINC000077287676 454086266 /nfs/dbraw/zinc/08/62/66/454086266.db2.gz MRLSJOORMTZXAR-UHFFFAOYSA-N 1 0 347.821 3.453 50 0 EGAARO Clc1ccc2c(c1)nccc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000077376915 454099563 /nfs/dbraw/zinc/09/95/63/454099563.db2.gz GUUYEHRHMROLFV-UHFFFAOYSA-N 1 0 345.874 3.437 50 0 EGAARO Cn1c(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)cc2ccccc21 ZINC000077407816 454102671 /nfs/dbraw/zinc/10/26/71/454102671.db2.gz KCWMCZHZOKYPOG-LJQANCHMSA-N 1 0 341.499 3.255 50 0 EGAARO COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2)c1C ZINC000077440349 454106402 /nfs/dbraw/zinc/10/64/02/454106402.db2.gz UKLMPUCBRCLRPL-KRWDZBQOSA-N 1 0 328.460 3.348 50 0 EGAARO c1ccc(OCC[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1 ZINC000077470603 454110169 /nfs/dbraw/zinc/11/01/69/454110169.db2.gz VDAMAFGSAXCQRN-UHFFFAOYSA-N 1 0 333.435 3.436 50 0 EGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc2ccccc2n1 ZINC000077536973 454119254 /nfs/dbraw/zinc/11/92/54/454119254.db2.gz JRAROLNRXVFMKA-IBGZPJMESA-N 1 0 345.446 3.364 50 0 EGAARO CCc1nc(Cn2ccnc2-c2ccc(C[NH+]3CCCC3)s2)no1 ZINC000071754454 454213982 /nfs/dbraw/zinc/21/39/82/454213982.db2.gz ITABHZDDBVLRRJ-UHFFFAOYSA-N 1 0 343.456 3.201 50 0 EGAARO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccccc2)C[C@@H]1[NH3+] ZINC000071791417 454218736 /nfs/dbraw/zinc/21/87/36/454218736.db2.gz CSXFKPWYLDEBEW-HZPDHXFCSA-N 1 0 348.443 3.052 50 0 EGAARO C[C@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](Cc2cccnc2N)C1 ZINC000095500296 454222692 /nfs/dbraw/zinc/22/26/92/454222692.db2.gz OHMCUNHPVABKFU-HXUWFJFHSA-N 1 0 339.439 3.237 50 0 EGAARO c1nnnn1CCC[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095518559 454226001 /nfs/dbraw/zinc/22/60/01/454226001.db2.gz VSGSWRBGDABVSN-UHFFFAOYSA-N 1 0 347.466 3.145 50 0 EGAARO CCCc1cncnc1N1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000095530780 454229069 /nfs/dbraw/zinc/22/90/69/454229069.db2.gz UDVANOVJXGXUIY-UHFFFAOYSA-N 1 0 336.483 3.155 50 0 EGAARO COc1ccc(Cc2nc([C@@H]3CC[NH2+]C3)n(C3CCCCC3)n2)cc1 ZINC000096153324 454293865 /nfs/dbraw/zinc/29/38/65/454293865.db2.gz JYSRNIGVNUMKBF-MRXNPFEDSA-N 1 0 340.471 3.460 50 0 EGAARO [NH3+]CC[C@H]1CN(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CCO1 ZINC000096163752 454295903 /nfs/dbraw/zinc/29/59/03/454295903.db2.gz ZJZZOSPTXYSPJE-SFHVURJKSA-N 1 0 343.402 3.074 50 0 EGAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000091289255 454423351 /nfs/dbraw/zinc/42/33/51/454423351.db2.gz UJLCETPVZKYFHE-IBGZPJMESA-N 1 0 334.410 3.189 50 0 EGAARO COCC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000097819639 454446636 /nfs/dbraw/zinc/44/66/36/454446636.db2.gz ZJIYYHCSPHVPRD-MRXNPFEDSA-N 1 0 338.879 3.266 50 0 EGAARO Cc1nn(C)c(C)c1C[N@@H+](Cc1cccn1-c1ncccn1)C(C)C ZINC000063844314 454454092 /nfs/dbraw/zinc/45/40/92/454454092.db2.gz FDZORFNJERNCMO-UHFFFAOYSA-N 1 0 338.459 3.028 50 0 EGAARO CCOc1ccc2oc(C)c(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC000065373482 454555357 /nfs/dbraw/zinc/55/53/57/454555357.db2.gz SCTXIVPAMFOBLU-KGLIPLIRSA-N 1 0 328.412 3.106 50 0 EGAARO C[NH+]1CCC2(CCN(C(=O)Nc3cc(Cl)nc(Cl)c3)C2)CC1 ZINC000065526349 454583854 /nfs/dbraw/zinc/58/38/54/454583854.db2.gz SECVSNVHWXYESN-UHFFFAOYSA-N 1 0 343.258 3.338 50 0 EGAARO CCn1cncc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000252483530 455808343 /nfs/dbraw/zinc/80/83/43/455808343.db2.gz FDMYCXDXBIDZLC-UHFFFAOYSA-N 1 0 338.377 3.244 50 0 EGAARO C[N@@H+]1CCN(Cc2cncn2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000252484316 455809961 /nfs/dbraw/zinc/80/99/61/455809961.db2.gz FUGTXBNIRYEQTO-JOCHJYFZSA-N 1 0 346.478 3.420 50 0 EGAARO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cccc1 ZINC000253399483 455840555 /nfs/dbraw/zinc/84/05/55/455840555.db2.gz CZFHEMNXUNJUHL-IPMKNSEASA-N 1 0 331.504 3.408 50 0 biogenic EGAARO O[C@H](c1cc2n(n1)CC[N@H+](CCCc1ccccc1)C2)c1ccccc1 ZINC000220369970 456040396 /nfs/dbraw/zinc/04/03/96/456040396.db2.gz NGMALEVBGWIBIN-QFIPXVFZSA-N 1 0 347.462 3.413 50 0 EGAARO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000374506848 457644156 /nfs/dbraw/zinc/64/41/56/457644156.db2.gz OMRRCXXVSKQKKN-KRWDZBQOSA-N 1 0 344.499 3.488 50 0 EGAARO CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000426370353 457814286 /nfs/dbraw/zinc/81/42/86/457814286.db2.gz GFLUVACANDMBSU-SJORKVTESA-N 1 0 340.398 3.305 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)NCc2ccnc3ccccc23)C1 ZINC000426390026 457819239 /nfs/dbraw/zinc/81/92/39/457819239.db2.gz ZEXDWWFUBPEGGI-HNNXBMFYSA-N 1 0 338.455 3.003 50 0 EGAARO COCCC[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+](C)C ZINC000426421011 457828567 /nfs/dbraw/zinc/82/85/67/457828567.db2.gz BEODNFIUNUOONR-LJQANCHMSA-N 1 0 347.503 3.239 50 0 EGAARO Cn1c(SCCCC(=O)c2ccccc2)nnc1C1CC[NH2+]CC1 ZINC000426465082 457835057 /nfs/dbraw/zinc/83/50/57/457835057.db2.gz DIUCRTNGBFBTEJ-UHFFFAOYSA-N 1 0 344.484 3.037 50 0 EGAARO Cc1cc(-n2cnnc2)ncc1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000426484348 457840777 /nfs/dbraw/zinc/84/07/77/457840777.db2.gz AOQCGPHSMNDPTG-INIZCTEOSA-N 1 0 349.438 3.031 50 0 EGAARO Cc1ccc(C(=O)NCCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1OCC[NH3+] ZINC000426518232 457848100 /nfs/dbraw/zinc/84/81/00/457848100.db2.gz HEZLGNHKFYTHRI-ROUUACIJSA-N 1 0 342.483 3.445 50 0 EGAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000426545041 457852893 /nfs/dbraw/zinc/85/28/93/457852893.db2.gz KKOWVJBKJDAMON-AWEZNQCLSA-N 1 0 346.500 3.113 50 0 EGAARO CN(CCn1ccc2ccccc21)C(=O)NCCC[NH+]1CCCCC1 ZINC000584894812 459819397 /nfs/dbraw/zinc/81/93/97/459819397.db2.gz OCPGDAOMWYSDAI-UHFFFAOYSA-N 1 0 342.487 3.159 50 0 EGAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000004820818 518737009 /nfs/dbraw/zinc/73/70/09/518737009.db2.gz VYERVNOAIIGACF-UHFFFAOYSA-N 1 0 326.440 3.270 50 0 EGAARO C[N@@H+](CCC(=O)Nc1ccc(F)cc1F)CC[C@H](O)c1ccccc1 ZINC000244574805 536307216 /nfs/dbraw/zinc/30/72/16/536307216.db2.gz CRUOUNAHYHWVOR-SFHVURJKSA-N 1 0 348.393 3.349 50 0 EGAARO Cc1cc(C(F)(F)F)nc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000584887148 548099259 /nfs/dbraw/zinc/09/92/59/548099259.db2.gz ISRVRTUVFVOTSU-UHFFFAOYSA-N 1 0 330.398 3.203 50 0 EGAARO CC(C)(C)OC(=O)N1CCC(=O)[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000169804396 564017215 /nfs/dbraw/zinc/01/72/15/564017215.db2.gz XNXVCGUUXFLGCB-FQEVSTJZSA-N 1 0 344.455 3.089 50 0 EGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CC1CC1)C3 ZINC000012331414 1291131453 /nfs/dbraw/zinc/13/14/53/1291131453.db2.gz KITPUWUNDODNLZ-CYBMUJFWSA-N 1 0 331.485 3.115 50 0 EGAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c1 ZINC000015072000 1291146049 /nfs/dbraw/zinc/14/60/49/1291146049.db2.gz LCPXLWGZOAAAET-QGZVFWFLSA-N 1 0 325.408 3.496 50 0 EGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(OC)cc2C)C1 ZINC000016310228 1291171810 /nfs/dbraw/zinc/17/18/10/1291171810.db2.gz PLAHEXWVLRMHFU-QGZVFWFLSA-N 1 0 332.488 3.392 50 0 EGAARO O=C(c1cccnc1-c1cccc2c1CC[NH2+]C2)N1C[C@H]2CC[C@@H]1C2 ZINC000071768112 1292269650 /nfs/dbraw/zinc/26/96/50/1292269650.db2.gz XLRUGKFTWPNMRI-GOEBONIOSA-N 1 0 333.435 3.019 50 0 EGAARO CC(C)C1=NO[C@@H](C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)C1 ZINC000827791949 1292374004 /nfs/dbraw/zinc/37/40/04/1292374004.db2.gz KJMDCLIZPKVAHG-QGZVFWFLSA-N 1 0 335.492 3.092 50 0 EGAARO O=C(CSc1ccncc1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013170 1292418227 /nfs/dbraw/zinc/41/82/27/1292418227.db2.gz YGIBBSXQHVOOJZ-CQSZACIVSA-N 1 0 347.509 3.016 50 0 EGAARO Cc1cc(C(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)no1 ZINC000669739129 1298106055 /nfs/dbraw/zinc/10/60/55/1298106055.db2.gz OMXPHSFADBOLFV-OAHLLOKOSA-N 1 0 329.425 3.230 50 0 EGAARO CC(=O)Nc1ccc2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)ccc2c1 ZINC000820592956 1319918130 /nfs/dbraw/zinc/91/81/30/1319918130.db2.gz IETQJGXJIJNQTM-UHFFFAOYSA-N 1 0 349.438 3.296 50 0 EGAARO Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@]2(C)CC[N@@H+](C)C2)c1 ZINC000823755006 1320203882 /nfs/dbraw/zinc/20/38/82/1320203882.db2.gz PRWACCZSSVNPBO-HXUWFJFHSA-N 1 0 343.471 3.404 50 0 EGAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3nsnc3c1)CC2 ZINC000824750987 1320282533 /nfs/dbraw/zinc/28/25/33/1320282533.db2.gz JMLMDLZCOJXLBE-OAHLLOKOSA-N 1 0 325.437 3.347 50 0 EGAARO Cc1ccccc1CSCCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000827267997 1320439892 /nfs/dbraw/zinc/43/98/92/1320439892.db2.gz KCMMWABGIMJBGD-QGZVFWFLSA-N 1 0 335.517 3.141 50 0 EGAARO CC[C@H](Cc1ccco1)[NH2+]CC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000952965919 1334626568 /nfs/dbraw/zinc/62/65/68/1334626568.db2.gz BDFSNJUCTHSUQT-GOSISDBHSA-N 1 0 333.520 3.141 50 0 EGAARO CCCC(=O)Nc1ccc(NC(=O)[C@@H](CC)[NH+]2CCCC2)cc1OC ZINC000952968910 1334626991 /nfs/dbraw/zinc/62/69/91/1334626991.db2.gz HEMXIVLWMCPYOD-MRXNPFEDSA-N 1 0 347.459 3.247 50 0 EGAARO COc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCc3cnc(C)nc32)C1 ZINC001704306475 1416436229 /nfs/dbraw/zinc/43/62/29/1416436229.db2.gz NJTWNUWLJXJUGE-HXUWFJFHSA-N 1 0 341.430 3.413 50 0 EGAARO CSc1ccc2nc(N3C[C@@H]4COC[C@H](C3)[N@H+](C)C4)cc(C)c2c1 ZINC001704307437 1416436639 /nfs/dbraw/zinc/43/66/39/1416436639.db2.gz ZGBCWDOHCKZBMG-CABCVRRESA-N 1 0 343.496 3.032 50 0 EGAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1cccc(C(C)C)c1 ZINC001704309239 1416437294 /nfs/dbraw/zinc/43/72/94/1416437294.db2.gz LKCIQKLCMNRFOQ-UHFFFAOYSA-N 1 0 328.460 3.046 50 0 EGAARO CC(=O)c1cnc(N(C)Cc2ccccc2C[NH+]2CCCC2)nc1C ZINC001704324459 1416444407 /nfs/dbraw/zinc/44/44/07/1416444407.db2.gz AFXJXWKRGAUVBF-UHFFFAOYSA-N 1 0 338.455 3.220 50 0 EGAARO Cc1c2ccccc2oc1C[N@@H+](C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 ZINC001704343348 1416449844 /nfs/dbraw/zinc/44/98/44/1416449844.db2.gz BLCOYIMLBVZYCF-OWCLPIDISA-N 1 0 326.440 3.430 50 0 EGAARO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2cc(-c3cccnc3)no2)C1 ZINC001704347806 1416451736 /nfs/dbraw/zinc/45/17/36/1416451736.db2.gz GYTMWJRCPWMGPQ-FQEVSTJZSA-N 1 0 335.407 3.139 50 0 EGAARO OC[C@@]12C[N@H+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]1COCC2 ZINC001772710621 1441417220 /nfs/dbraw/zinc/41/72/20/1441417220.db2.gz NPVOXMRKTUPYGX-WIYYLYMNSA-N 1 0 339.435 3.310 50 0 EGAARO Cc1cc(N2CCC3(CC2)C[N@H+](C)CCO3)c2cc(F)cc(F)c2n1 ZINC001772804393 1441417486 /nfs/dbraw/zinc/41/74/86/1441417486.db2.gz ODQALXSIIDLHOB-UHFFFAOYSA-N 1 0 347.409 3.122 50 0 EGAARO CCCC(=O)Nc1cccc(C(=O)NC[C@H]2CCC[N@@H+](CCC)C2)c1 ZINC000055088592 214270278 /nfs/dbraw/zinc/27/02/78/214270278.db2.gz KYAHTPJVJAAZKR-MRXNPFEDSA-N 1 0 345.487 3.277 50 0 EGAARO Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000055133741 214278355 /nfs/dbraw/zinc/27/83/55/214278355.db2.gz HFWIKYJZOXHSTO-CYBMUJFWSA-N 1 0 330.457 3.116 50 0 EGAARO CCc1nc(CN(C)C(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)no1 ZINC000055405144 214320056 /nfs/dbraw/zinc/32/00/56/214320056.db2.gz QIOAHSVPWDFKIP-CYBMUJFWSA-N 1 0 346.431 3.044 50 0 EGAARO CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000100748911 219105889 /nfs/dbraw/zinc/10/58/89/219105889.db2.gz IPNSZFJWQTVXFT-ZSHCYNCHSA-N 1 0 333.428 3.266 50 0 biogenic EGAARO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000004188098 210141788 /nfs/dbraw/zinc/14/17/88/210141788.db2.gz PLOYJZJBKMLKKY-ZMSDIMECSA-N 1 0 348.487 3.171 50 0 EGAARO C[C@@H](CCC(=O)N1Cc2cnc(C(C)(C)C)nc2C1)[NH+]1CCCCC1 ZINC000067459828 215149510 /nfs/dbraw/zinc/14/95/10/215149510.db2.gz HLHFSJKIFYVFEJ-HNNXBMFYSA-N 1 0 344.503 3.271 50 0 EGAARO COc1ccc(-c2nc(CN3CCC[NH2+]CC3)c(C)o2)c(C)c1C ZINC000067473259 215151674 /nfs/dbraw/zinc/15/16/74/215151674.db2.gz AAKJOBUIMOPLQF-UHFFFAOYSA-N 1 0 329.444 3.071 50 0 EGAARO Cc1cc(C[NH+]2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[nH]n1 ZINC000067650773 215174115 /nfs/dbraw/zinc/17/41/15/215174115.db2.gz NGIVPQQVGMLSMI-UHFFFAOYSA-N 1 0 335.455 3.412 50 0 EGAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2csc(C(C)C)n2)n1 ZINC000067688468 215184791 /nfs/dbraw/zinc/18/47/91/215184791.db2.gz KIAAOAXDGQBKNE-CQSZACIVSA-N 1 0 345.516 3.468 50 0 EGAARO COc1cc(C)c(-c2nc(CN3CCC([NH3+])CC3)c(C)o2)cc1C ZINC000067655074 215175494 /nfs/dbraw/zinc/17/54/94/215175494.db2.gz PCJKORJPJYTZRY-UHFFFAOYSA-N 1 0 329.444 3.199 50 0 EGAARO CCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000067754397 215203380 /nfs/dbraw/zinc/20/33/80/215203380.db2.gz IOPPPANRWJGEOB-SFHVURJKSA-N 1 0 337.467 3.286 50 0 EGAARO CCC(=O)NC[C@H]1CC[N@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000067771752 215207220 /nfs/dbraw/zinc/20/72/20/215207220.db2.gz KXWAIEQNUAUPLP-OAHLLOKOSA-N 1 0 326.440 3.197 50 0 EGAARO Cn1nc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n(-c2ccccc2)c1=O ZINC000067842138 215226932 /nfs/dbraw/zinc/22/69/32/215226932.db2.gz ZKILKYKQBPXANR-MRXNPFEDSA-N 1 0 340.471 3.083 50 0 EGAARO C[C@H](Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2)c1ccccc1 ZINC000067855205 215233819 /nfs/dbraw/zinc/23/38/19/215233819.db2.gz ALTNMUKARKBKGT-AWEZNQCLSA-N 1 0 331.423 3.357 50 0 EGAARO CC(C)[NH+]1CCC(CNC(=O)Cc2ccc(F)cc2Cl)CC1 ZINC000067885005 215240570 /nfs/dbraw/zinc/24/05/70/215240570.db2.gz YCSLQCRYVYQXTJ-UHFFFAOYSA-N 1 0 326.843 3.258 50 0 EGAARO C[C@@H](c1ccco1)[N@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067975064 215265262 /nfs/dbraw/zinc/26/52/62/215265262.db2.gz YMMNZRGIJGUJMH-NSHDSACASA-N 1 0 326.352 3.043 50 0 EGAARO COc1ccc(CN2CC[N@@H+](C3CCCCC3)C[C@H]2CCO)cc1C ZINC000104304541 219372643 /nfs/dbraw/zinc/37/26/43/219372643.db2.gz HNBSYVYNCGQAJO-HXUWFJFHSA-N 1 0 346.515 3.205 50 0 EGAARO 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CC[NH+]1CCN(Cc2cc(=O)oc3cc(C)c(Cl)c(C)c23)CC1 ZINC000020546835 212145463 /nfs/dbraw/zinc/14/54/63/212145463.db2.gz GLKKKZLPJLYNLG-UHFFFAOYSA-N 1 0 334.847 3.201 50 0 EGAARO CCc1nc2ccccc2n1CCC[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000020537808 212144456 /nfs/dbraw/zinc/14/44/56/212144456.db2.gz VGEDPEOAXGIRAG-INIZCTEOSA-N 1 0 329.488 3.472 50 0 EGAARO CC(C)[N@@H+]1CCN(Cc2cccc(-c3ccco3)c2)C[C@@H]1CCO ZINC000020385460 212124379 /nfs/dbraw/zinc/12/43/79/212124379.db2.gz RVDYIGTWGYRGGN-IBGZPJMESA-N 1 0 328.456 3.224 50 0 EGAARO Cn1cc(C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c2ccccc21 ZINC000020168104 212108483 /nfs/dbraw/zinc/10/84/83/212108483.db2.gz HVINNEPYIXDIOP-INIZCTEOSA-N 1 0 325.456 3.269 50 0 EGAARO Cc1cc(Cl)c(OCCN2CC[NH+](C)CC2)c(Br)c1 ZINC000020118611 212103424 /nfs/dbraw/zinc/10/34/24/212103424.db2.gz NWFOKFXGCWCNEF-UHFFFAOYSA-N 1 0 347.684 3.037 50 0 EGAARO O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CC[NH+]1CCCCC1 ZINC000019946917 212089816 /nfs/dbraw/zinc/08/98/16/212089816.db2.gz MEHDEKBHBVNXGF-UHFFFAOYSA-N 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Cc1cn2cc(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)ccc2n1 ZINC000082086620 453922179 /nfs/dbraw/zinc/92/21/79/453922179.db2.gz FCDQLJDQCICSAR-IBGZPJMESA-N 1 0 348.450 3.210 50 0 EGAARO CSc1ccccc1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000082096792 453923049 /nfs/dbraw/zinc/92/30/49/453923049.db2.gz ZPHQKHPDGPGLQA-UHFFFAOYSA-N 1 0 341.480 3.464 50 0 EGAARO CC(C)c1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n(C)n1 ZINC000082109496 453924662 /nfs/dbraw/zinc/92/46/62/453924662.db2.gz SQQCOOWYIOSNDV-GOSISDBHSA-N 1 0 340.471 3.110 50 0 EGAARO Cc1cc(C)cc(CSCC(=O)N2CCCC[C@H]([NH+](C)C)C2)c1 ZINC000082108316 453924876 /nfs/dbraw/zinc/92/48/76/453924876.db2.gz VOQMGQADDVLPDV-SFHVURJKSA-N 1 0 334.529 3.479 50 0 EGAARO Cc1cccc2[nH]c(C3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)CC3)nc21 ZINC000082127182 453925676 /nfs/dbraw/zinc/92/56/76/453925676.db2.gz QNZARYAVOOXYJL-KRWDZBQOSA-N 1 0 340.471 3.062 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000085474740 454030667 /nfs/dbraw/zinc/03/06/67/454030667.db2.gz DCYJJXTZSLOTID-UHFFFAOYSA-N 1 0 334.423 3.224 50 0 EGAARO CC(C)(C)[NH2+]C[C@H](O)c1ccc2c(n1)CO[C@H](c1ccccc1)O2 ZINC000044123062 454089095 /nfs/dbraw/zinc/08/90/95/454089095.db2.gz FTXAZAFAVPUWBX-WMZOPIPTSA-N 1 0 328.412 3.111 50 0 EGAARO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077323122 454091658 /nfs/dbraw/zinc/09/16/58/454091658.db2.gz JNYNJWRKKNMYAU-AWEZNQCLSA-N 1 0 332.469 3.456 50 0 EGAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000077377098 454099681 /nfs/dbraw/zinc/09/96/81/454099681.db2.gz HHOUCPNQGYCNTQ-OAHLLOKOSA-N 1 0 325.416 3.311 50 0 EGAARO C[C@@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)[NH+]1CCCC1 ZINC000077436634 454105738 /nfs/dbraw/zinc/10/57/38/454105738.db2.gz WQWIDYCSKSSYJY-HNNXBMFYSA-N 1 0 326.444 3.437 50 0 EGAARO CCc1c(C)nc(C)nc1N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077485888 454111200 /nfs/dbraw/zinc/11/12/00/454111200.db2.gz MSOAVVFCZNHMES-UHFFFAOYSA-N 1 0 330.501 3.430 50 0 EGAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)CCc2ccsc2)CC1 ZINC000077485545 454111414 /nfs/dbraw/zinc/11/14/14/454111414.db2.gz CMQRNCFJROYVHT-UHFFFAOYSA-N 1 0 343.496 3.199 50 0 EGAARO Cc1cc(C)c2nc(C)cc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c2c1 ZINC000077535711 454118871 /nfs/dbraw/zinc/11/88/71/454118871.db2.gz UVBSHCRENNYESZ-DLBZAZTESA-N 1 0 337.467 3.469 50 0 EGAARO CC(C)c1noc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000095379534 454199705 /nfs/dbraw/zinc/19/97/05/454199705.db2.gz UASJGFGYUFECQE-ZWKOTPCHSA-N 1 0 340.471 3.289 50 0 EGAARO CCc1ccc(N2CCC([NH2+]Cc3c(C)nn(C)c3OC)CC2)cc1 ZINC000058433967 454203622 /nfs/dbraw/zinc/20/36/22/454203622.db2.gz OXUXMOOLPDZSFO-UHFFFAOYSA-N 1 0 342.487 3.058 50 0 EGAARO Cc1ccc(O)c(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c1 ZINC000071721538 454211262 /nfs/dbraw/zinc/21/12/62/454211262.db2.gz WANHQSXWUUGMAF-SFHVURJKSA-N 1 0 330.472 3.283 50 0 EGAARO FC(F)(F)CCc1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000071753275 454214801 /nfs/dbraw/zinc/21/48/01/454214801.db2.gz YUCSNNUMCVLXLT-OAHLLOKOSA-N 1 0 336.361 3.122 50 0 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Cc1cccc(-c2ccc(C[NH2+]CCN3CCC[C@H](CO)C3)cc2)c1 ZINC000952988941 1334631423 /nfs/dbraw/zinc/63/14/23/1334631423.db2.gz RAQWBRHDXFGBKR-FQEVSTJZSA-N 1 0 338.495 3.456 50 0 EGAARO Cc1cc(C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2O)on1 ZINC001704300066 1416432935 /nfs/dbraw/zinc/43/29/35/1416432935.db2.gz VGZVMKWCCYEICL-CZUORRHYSA-N 1 0 340.345 3.037 50 0 EGAARO Cc1ccc2c(C)cc(N[C@@H]3COC4(C3)CC[NH2+]CC4)nc2c1C ZINC001704326428 1416444582 /nfs/dbraw/zinc/44/45/82/1416444582.db2.gz WSUJBKDRBVSGHZ-INIZCTEOSA-N 1 0 325.456 3.483 50 0 EGAARO C[N@H+](Cc1ccc(C(F)(F)F)cc1F)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704339710 1416448776 /nfs/dbraw/zinc/44/87/76/1416448776.db2.gz JPJIHXQDFSQSAH-MBNYWOFBSA-N 1 0 344.352 3.191 50 0 EGAARO C[C@H](CCc1c[nH]c2ccccc12)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC001772810080 1441417601 /nfs/dbraw/zinc/41/76/01/1441417601.db2.gz HGQNPNFBIQUIQM-MRXNPFEDSA-N 1 0 339.483 3.433 50 0 EGAARO c1cc2ncnc(N3C[C@@H]4CC[C@H]3C[N@H+](Cc3ccccc3)C4)c2[nH]1 ZINC001772811525 1441417607 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CCn1cc(C[N@@H+](Cc2cc3c(c(OC)c2)OCO3)CC(C)C)cn1 ZINC000055255555 214296823 /nfs/dbraw/zinc/29/68/23/214296823.db2.gz YVNHPSCAUBKDKK-UHFFFAOYSA-N 1 0 345.443 3.299 50 0 EGAARO CCCCC[NH+]1CCC(Cn2cc([C@H](O)c3ccccc3)nn2)CC1 ZINC000055413483 214321782 /nfs/dbraw/zinc/32/17/82/214321782.db2.gz OIAQVWVZFSXXGL-HXUWFJFHSA-N 1 0 342.487 3.262 50 0 EGAARO COc1ccc(-n2cccn2)c(C[N@H+](C)CCC2CCOCC2)c1 ZINC000097813835 219059135 /nfs/dbraw/zinc/05/91/35/219059135.db2.gz JPDBTVPASNOGTQ-UHFFFAOYSA-N 1 0 329.444 3.129 50 0 EGAARO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(C)cc(C)c23)CC1 ZINC000004340521 210176398 /nfs/dbraw/zinc/17/63/98/210176398.db2.gz NZJQZBVQCZMNAW-UHFFFAOYSA-N 1 0 343.423 3.185 50 0 biogenic EGAARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)nc2sccn21 ZINC000003436696 210039003 /nfs/dbraw/zinc/03/90/03/210039003.db2.gz CCYVLKSISMVUMT-UHFFFAOYSA-N 1 0 339.464 3.211 50 0 EGAARO CCOCc1cc(CN2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)ccc1OC ZINC000102818802 219233334 /nfs/dbraw/zinc/23/33/34/219233334.db2.gz 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COc1ccc(N[C@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)cc1 ZINC000015066608 1291146128 /nfs/dbraw/zinc/14/61/28/1291146128.db2.gz ZJNDRQJBERZKEF-HNNXBMFYSA-N 1 0 346.500 3.294 50 0 EGAARO Fc1ccc(N2CCC(N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000022851668 1291226218 /nfs/dbraw/zinc/22/62/18/1291226218.db2.gz YJVOZTFNKNDSMP-HXUWFJFHSA-N 1 0 331.479 3.355 50 0 EGAARO O=C(CSc1ccncc1)Nc1ccccc1C[NH+]1CCCC1 ZINC000041970868 1291426708 /nfs/dbraw/zinc/42/67/08/1291426708.db2.gz UKWROGNRFYHUMO-UHFFFAOYSA-N 1 0 327.453 3.408 50 0 EGAARO C[NH+]1CCC(N(Cc2cccnc2)Cc2cccc3nccnc23)CC1 ZINC000072148612 1292275878 /nfs/dbraw/zinc/27/58/78/1292275878.db2.gz XWYUEQMKCTWITP-UHFFFAOYSA-N 1 0 347.466 3.121 50 0 EGAARO O=C(CCOc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013049 1292418240 /nfs/dbraw/zinc/41/82/40/1292418240.db2.gz KYNMLZVZJVRIFI-MRXNPFEDSA-N 1 0 344.480 3.298 50 0 EGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cccc(=O)[nH]1 ZINC000828928320 1292518146 /nfs/dbraw/zinc/51/81/46/1292518146.db2.gz CJAHUFNWGDOBQN-SFHVURJKSA-N 1 0 339.439 3.134 50 0 EGAARO CN(C)c1ccc(CCc2nc(C3CC3)nn2-c2cc[nH+]cc2)cc1 ZINC000823732469 1320201791 /nfs/dbraw/zinc/20/17/91/1320201791.db2.gz XLTSHSUIOWMYHY-UHFFFAOYSA-N 1 0 333.439 3.391 50 0 EGAARO CCn1nc(Cc2ccccc2OC)nc1[C@@H](C)C[NH+]1CCCC1 ZINC000824821836 1320290191 /nfs/dbraw/zinc/29/01/91/1320290191.db2.gz CSLVCOROASPMOQ-HNNXBMFYSA-N 1 0 328.460 3.097 50 0 EGAARO [NH3+][C@H]1CC[C@@H]([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)CC1 ZINC000827523347 1320459001 /nfs/dbraw/zinc/45/90/01/1320459001.db2.gz KZTOVFMLPUMMKG-MBNYWOFBSA-N 1 0 332.448 3.037 50 0 EGAARO CC(C)(C[NH2+][C@@H](c1ccco1)c1ccccc1)CN1CCOCC1 ZINC000952971154 1334627781 /nfs/dbraw/zinc/62/77/81/1334627781.db2.gz HKFZRKTZHYDJRG-LJQANCHMSA-N 1 0 328.456 3.317 50 0 EGAARO CCCn1nc(COc2ccc(F)cc2)nc1[C@H]1CC12CC[NH2+]CC2 ZINC000952973307 1334627902 /nfs/dbraw/zinc/62/79/02/1334627902.db2.gz CEPPYJAEZLYFJR-MRXNPFEDSA-N 1 0 344.434 3.263 50 0 EGAARO Cc1c2cccc(Cl)c2[nH]c1C[NH2+]CCN1CCCC[C@@H]1CO ZINC000952984981 1334630696 /nfs/dbraw/zinc/63/06/96/1334630696.db2.gz DGJLPRUOXVUVMC-CQSZACIVSA-N 1 0 335.879 3.066 50 0 EGAARO CC[N@@H+]1CCC[C@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000952988657 1334631276 /nfs/dbraw/zinc/63/12/76/1334631276.db2.gz KAHLUYQUARRQKU-HNNXBMFYSA-N 1 0 326.893 3.174 50 0 EGAARO Cc1ncc(Cl)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001772711314 1441417275 /nfs/dbraw/zinc/41/72/75/1441417275.db2.gz BBBKCVCKGDQMDC-MRXNPFEDSA-N 1 0 346.862 3.141 50 0 EGAARO CCC[N@@H+]1C[C@H]2CN(c3noc(C)n3)C[C@]2(CCc2ccccc2)C1 ZINC001772810829 1441417577 /nfs/dbraw/zinc/41/75/77/1441417577.db2.gz NXRVVVPBPJMBEC-ICSRJNTNSA-N 1 0 340.471 3.159 50 0 EGAARO [NH3+]C[C@H]1CCCCN1C(=O)Nc1cccnc1Oc1ccc(F)cc1 ZINC000097742602 219052325 /nfs/dbraw/zinc/05/23/25/219052325.db2.gz KHXVKRFOZFJXDS-CQSZACIVSA-N 1 0 344.390 3.358 50 0 EGAARO Cc1ccc(SCC[N@@H+](C)Cc2ccccc2OCC(N)=O)cc1 ZINC000055036041 214265994 /nfs/dbraw/zinc/26/59/94/214265994.db2.gz TYVLNXXAXLOUPR-UHFFFAOYSA-N 1 0 344.480 3.083 50 0 EGAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)(C3)C2 ZINC000055211432 214289002 /nfs/dbraw/zinc/28/90/02/214289002.db2.gz IXYKGLKZFRJIIZ-LWYUSKRHSA-N 1 0 341.430 3.389 50 0 EGAARO O=C(Nc1ccccc1OCCOc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000055309810 214305171 /nfs/dbraw/zinc/30/51/71/214305171.db2.gz XKUNKIJPGCPZNO-INIZCTEOSA-N 1 0 340.423 3.083 50 0 EGAARO OCC[NH+](CCO)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000055392581 214316835 /nfs/dbraw/zinc/31/68/35/214316835.db2.gz YJLPWJRMZCVURD-UHFFFAOYSA-N 1 0 347.458 3.265 50 0 EGAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1cccc(OCC(N)=O)c1 ZINC000055343953 214310348 /nfs/dbraw/zinc/31/03/48/214310348.db2.gz WBXKLKQPWNFIID-CQSZACIVSA-N 1 0 332.469 3.413 50 0 EGAARO COc1ccc(CC2(CNC(=O)OC(C)(C)C)CC[NH2+]CC2)cc1 ZINC000098213781 219087905 /nfs/dbraw/zinc/08/79/05/219087905.db2.gz YSOLHBNWAWLTBG-UHFFFAOYSA-N 1 0 334.460 3.132 50 0 EGAARO C[C@@H](c1ccc(-c2cccc(-n3cnnc3)c2)cc1)[NH+]1CCOCC1 ZINC000065375466 214880044 /nfs/dbraw/zinc/88/00/44/214880044.db2.gz XOCIKBWSRUIPGA-INIZCTEOSA-N 1 0 334.423 3.328 50 0 EGAARO Cc1cccc(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1C ZINC000004196696 210143317 /nfs/dbraw/zinc/14/33/17/210143317.db2.gz NVNHEOUUNGXVRH-KRWDZBQOSA-N 1 0 335.488 3.057 50 0 EGAARO COc1cc2c(cc1OC)[C@H]1[N@H+](CC[C@@]1(O)c1ccc(F)cc1)CC2 ZINC000004089744 210117458 /nfs/dbraw/zinc/11/74/58/210117458.db2.gz CHVNLMGGTMLHNX-WOJBJXKFSA-N 1 0 343.398 3.034 50 0 biogenic EGAARO Cc1cc2nc(CN3CCCC[C@@H]3c3cccc(F)c3)cc(=O)n2[n-]1 ZINC000101788167 219164778 /nfs/dbraw/zinc/16/47/78/219164778.db2.gz WNJPYLQKGVLCLU-QGZVFWFLSA-N 1 0 340.402 3.197 50 0 EGAARO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccnc3)C3CC3)cc2c1 ZINC000067650278 215174403 /nfs/dbraw/zinc/17/44/03/215174403.db2.gz QRGXFIJBYMZEPL-UHFFFAOYSA-N 1 0 335.407 3.096 50 0 EGAARO OCCC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067689245 215185633 /nfs/dbraw/zinc/18/56/33/215185633.db2.gz WANDVZNGKVLZFP-UHFFFAOYSA-N 1 0 333.435 3.484 50 0 EGAARO CCc1ccccc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000067754399 215202578 /nfs/dbraw/zinc/20/25/78/215202578.db2.gz IOPPPANRWJGEOB-GOSISDBHSA-N 1 0 337.467 3.286 50 0 EGAARO CN(C)c1nc(Cl)c(-c2nccn2CC[C@@H]2CCC[N@@H+]2C)s1 ZINC000067740228 215199569 /nfs/dbraw/zinc/19/95/69/215199569.db2.gz QONBFNJQULUXCG-NSHDSACASA-N 1 0 339.896 3.210 50 0 EGAARO COc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC000067802661 215215483 /nfs/dbraw/zinc/21/54/83/215215483.db2.gz ORVGISVQMUHJBC-UHFFFAOYSA-N 1 0 338.423 3.323 50 0 EGAARO Cc1cccc2c(CC[NH2+][C@H]3CCC(=O)N(CC4CC4)CC3)c[nH]c21 ZINC000067821064 215221455 /nfs/dbraw/zinc/22/14/55/215221455.db2.gz NRXYILRSPJFWFQ-SFHVURJKSA-N 1 0 339.483 3.400 50 0 EGAARO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cccnc3)C2)cc1Cl ZINC000067880007 215239043 /nfs/dbraw/zinc/23/90/43/215239043.db2.gz CIOGEFHPRSHBCK-MRXNPFEDSA-N 1 0 343.858 3.295 50 0 EGAARO COc1cc(NC(=O)CC[N@H+](C)Cc2ccccc2)cc(OC)c1 ZINC000002784431 209913180 /nfs/dbraw/zinc/91/31/80/209913180.db2.gz JSXRROFNABBWKR-UHFFFAOYSA-N 1 0 328.412 3.164 50 0 EGAARO Cc1ccc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)o1 ZINC000039394360 213236397 /nfs/dbraw/zinc/23/63/97/213236397.db2.gz AUVQFHKTLBAHMD-HXUWFJFHSA-N 1 0 342.483 3.089 50 0 EGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000000561274 209664331 /nfs/dbraw/zinc/66/43/31/209664331.db2.gz UMPNOCDEKATPGJ-UHFFFAOYSA-N 1 0 339.439 3.089 50 0 EGAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071750901 215807413 /nfs/dbraw/zinc/80/74/13/215807413.db2.gz OZZWJAFTSAIUDL-HNNXBMFYSA-N 1 0 338.442 3.478 50 0 EGAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000072135609 216024850 /nfs/dbraw/zinc/02/48/50/216024850.db2.gz AJXRWAXTEROYTB-CQSZACIVSA-N 1 0 347.846 3.486 50 0 EGAARO CSc1cccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000072150778 216038931 /nfs/dbraw/zinc/03/89/31/216038931.db2.gz JIQVSACUNBPJFI-OAHLLOKOSA-N 1 0 329.469 3.180 50 0 EGAARO COCCCN(Cc1cccc(Cl)c1F)C1CC[NH+](C)CC1 ZINC000072152774 216040812 /nfs/dbraw/zinc/04/08/12/216040812.db2.gz NENQVWFPIHZOLP-UHFFFAOYSA-N 1 0 328.859 3.412 50 0 EGAARO CC(C)c1ccc(OCCN(C)Cc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072149146 216037062 /nfs/dbraw/zinc/03/70/62/216037062.db2.gz PZDRQKCUTODZLF-UHFFFAOYSA-N 1 0 342.487 3.011 50 0 EGAARO COc1ccc(F)cc1CN(Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000072154715 216043242 /nfs/dbraw/zinc/04/32/42/216043242.db2.gz OSUSRAONJVSUSW-UHFFFAOYSA-N 1 0 343.446 3.326 50 0 EGAARO C[C@H](Cc1ccsc1)Nc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072157580 216047420 /nfs/dbraw/zinc/04/74/20/216047420.db2.gz UOWHGCQIBHRMFD-GFCCVEGCSA-N 1 0 337.452 3.246 50 0 EGAARO CN1c2ccccc2[C@]2(CCC[N@H+](CCCc3cccnc3)C2)C1=O ZINC000072170035 216060657 /nfs/dbraw/zinc/06/06/57/216060657.db2.gz NTVGQCWWRYCPCL-OAQYLSRUSA-N 1 0 335.451 3.024 50 0 EGAARO O=C(CCc1nc2ccccc2s1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000072169429 216061294 /nfs/dbraw/zinc/06/12/94/216061294.db2.gz FQWABFLRVWIWLL-HNNXBMFYSA-N 1 0 343.496 3.316 50 0 EGAARO c1ccc(-c2nnc3sc(CC[NH+]4CCCCCC4)nn32)cc1 ZINC000072333587 216155790 /nfs/dbraw/zinc/15/57/90/216155790.db2.gz UQKDCBIQDZDFDT-UHFFFAOYSA-N 1 0 327.457 3.271 50 0 EGAARO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000072408471 216199361 /nfs/dbraw/zinc/19/93/61/216199361.db2.gz CHLKWQWGUQDICT-LJQANCHMSA-N 1 0 348.874 3.489 50 0 EGAARO CCc1cc(NC2CC[NH+](C3CCSCC3)CC2)n2nccc2n1 ZINC000072425299 216214225 /nfs/dbraw/zinc/21/42/25/216214225.db2.gz JZPINKYDVQLEID-UHFFFAOYSA-N 1 0 345.516 3.064 50 0 EGAARO Cc1ccc(C[NH+]2CCC(CNc3cc(C)nc4ccnn43)CC2)o1 ZINC000072428208 216218906 /nfs/dbraw/zinc/21/89/06/216218906.db2.gz VNGJHIRAWLJRMQ-UHFFFAOYSA-N 1 0 339.443 3.263 50 0 EGAARO Cc1nn(C)c(Cl)c1CN1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000023361127 212370191 /nfs/dbraw/zinc/37/01/91/212370191.db2.gz VBHZXNYDJLDQAF-QGZVFWFLSA-N 1 0 346.906 3.478 50 0 EGAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1cccs1 ZINC000023105478 212348703 /nfs/dbraw/zinc/34/87/03/212348703.db2.gz DXVGRVMCPUTEMW-AWEZNQCLSA-N 1 0 338.860 3.199 50 0 EGAARO O=C(NCCOCc1ccccc1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000215177761 241112688 /nfs/dbraw/zinc/11/26/88/241112688.db2.gz MCEFMQCUCBPCJJ-FQEVSTJZSA-N 1 0 338.451 3.100 50 0 EGAARO c1cc([C@@H]2CCCO2)sc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000216508313 241199307 /nfs/dbraw/zinc/19/93/07/241199307.db2.gz CFUHEGPZWTVXGN-INIZCTEOSA-N 1 0 344.484 3.102 50 0 EGAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nnc(C)[nH]4)C3)c(C)c2c1 ZINC000215496783 241129566 /nfs/dbraw/zinc/12/95/66/241129566.db2.gz BYOLXHLZKGISIA-AWEZNQCLSA-N 1 0 339.443 3.291 50 0 EGAARO C[C@H]1CC(C)(C)N(C)c2ccc(C(=S)N3CCN(C)CC3)cc21 ZINC000226854932 242117701 /nfs/dbraw/zinc/11/77/01/242117701.db2.gz ALVKBFQJSMMOTI-AWEZNQCLSA-N 1 0 331.529 3.332 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000243893817 243030096 /nfs/dbraw/zinc/03/00/96/243030096.db2.gz AUOFIINTDPBJFJ-CYBMUJFWSA-N 1 0 332.879 3.285 50 0 EGAARO CCC(CC)C[N@@H+]1CCN(Cc2cccc(OC)c2)[C@@H](CCO)C1 ZINC000020784769 212171572 /nfs/dbraw/zinc/17/15/72/212171572.db2.gz CFJIUTNGJIBCIZ-IBGZPJMESA-N 1 0 334.504 3.000 50 0 EGAARO Cc1c(Cl)cccc1NC(=O)CCN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000244872836 243089354 /nfs/dbraw/zinc/08/93/54/243089354.db2.gz WFHUWSJWRAQUKT-LSDHHAIUSA-N 1 0 335.879 3.146 50 0 EGAARO CN1CC[NH+](CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)CC1 ZINC000020590919 212150266 /nfs/dbraw/zinc/15/02/66/212150266.db2.gz LVLQQVJWMCQTMB-OAQYLSRUSA-N 1 0 330.516 3.442 50 0 EGAARO Cc1ccc2c(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000020436649 212129151 /nfs/dbraw/zinc/12/91/51/212129151.db2.gz CWOTYDZTMYXDCE-UHFFFAOYSA-N 1 0 348.446 3.419 50 0 biogenic EGAARO COc1ccc(CCN(C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000020235465 212113365 /nfs/dbraw/zinc/11/33/65/212113365.db2.gz WHMQVSZDODJWRL-SFHVURJKSA-N 1 0 332.488 3.195 50 0 EGAARO CCOC(=O)C1(CC2CC2)CC[NH+]([C@H](C)Cc2cccnc2)CC1 ZINC000020118642 212103509 /nfs/dbraw/zinc/10/35/09/212103509.db2.gz SMRFIPCODLCEFH-MRXNPFEDSA-N 1 0 330.472 3.458 50 0 EGAARO COc1cccc(CN(CC[NH+](C)C)Cc2ccccc2)c1OC ZINC000019809859 212071316 /nfs/dbraw/zinc/07/13/16/212071316.db2.gz MALPCAADGLGANX-UHFFFAOYSA-N 1 0 328.456 3.268 50 0 EGAARO Cc1ccc(C)c(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019537653 212041619 /nfs/dbraw/zinc/04/16/19/212041619.db2.gz LRLYCUNXMQUBEX-UHFFFAOYSA-N 1 0 338.451 3.350 50 0 EGAARO COc1ccc(OC)c(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019537312 212041036 /nfs/dbraw/zinc/04/10/36/212041036.db2.gz WYOKWCOGDLTKQP-UHFFFAOYSA-N 1 0 326.440 3.022 50 0 EGAARO Cc1ccsc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019537401 212040840 /nfs/dbraw/zinc/04/08/40/212040840.db2.gz IIARDYHDQPZXHT-UHFFFAOYSA-N 1 0 330.453 3.103 50 0 EGAARO COc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000019536849 212039611 /nfs/dbraw/zinc/03/96/11/212039611.db2.gz RBGJBTCSPSNVCP-UHFFFAOYSA-N 1 0 326.440 3.022 50 0 EGAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2)N1CCCc1ccncc1 ZINC000012244739 211330658 /nfs/dbraw/zinc/33/06/58/211330658.db2.gz PSPLEGJOKQEKFJ-FQEVSTJZSA-N 1 0 337.467 3.185 50 0 EGAARO COc1cccc(-c2cc(CC3(O)CC[NH+](C4CCC4)CC3)on2)c1 ZINC000012094239 211289260 /nfs/dbraw/zinc/28/92/60/211289260.db2.gz UWDLVUCCBHJLQE-UHFFFAOYSA-N 1 0 342.439 3.272 50 0 EGAARO CCCn1ccnc1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091417001 218003174 /nfs/dbraw/zinc/00/31/74/218003174.db2.gz WBRIYOHUTVDZTI-VQTJNVASSA-N 1 0 338.499 3.390 50 0 EGAARO C[C@@H](C1CCN(Cc2nc(-c3ccccc3)no2)CC1)[NH+]1CCCC1 ZINC000011840176 211254734 /nfs/dbraw/zinc/25/47/34/211254734.db2.gz VSPGPDXWEFPFKD-INIZCTEOSA-N 1 0 340.471 3.433 50 0 EGAARO COCCOC1CC[NH+](Cc2nc(-c3ccc(F)cc3)oc2C)CC1 ZINC000011838830 211253457 /nfs/dbraw/zinc/25/34/57/211253457.db2.gz XYRSJGNBMJVODZ-UHFFFAOYSA-N 1 0 348.418 3.417 50 0 EGAARO CO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(-c3ccc(C)cc3)no1)CC2 ZINC000091651642 218041055 /nfs/dbraw/zinc/04/10/55/218041055.db2.gz BWUIDJRSNHKVBK-MOPGFXCFSA-N 1 0 342.439 3.012 50 0 EGAARO CCc1ncc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cn1 ZINC000011753546 211243807 /nfs/dbraw/zinc/24/38/07/211243807.db2.gz CZZUOQAUFGREKE-HXUWFJFHSA-N 1 0 328.504 3.127 50 0 EGAARO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cnn1C ZINC000011754242 211242774 /nfs/dbraw/zinc/24/27/74/211242774.db2.gz DBDDNZIWEPKSAH-OAHLLOKOSA-N 1 0 331.847 3.477 50 0 EGAARO Cc1ccc(F)cc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000091745931 218057232 /nfs/dbraw/zinc/05/72/32/218057232.db2.gz MSDMAZXGHUBINR-DNVCBOLYSA-N 1 0 330.447 3.357 50 0 EGAARO CCn1ccnc1CN1CCC([C@@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000011663223 211229133 /nfs/dbraw/zinc/22/91/33/211229133.db2.gz JLWSICKMARLLOP-GOSISDBHSA-N 1 0 332.536 3.483 50 0 EGAARO O=C(c1cccs1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091988571 218099411 /nfs/dbraw/zinc/09/94/11/218099411.db2.gz FNRODPZRXDCOAT-IAGOWNOFSA-N 1 0 326.465 3.485 50 0 EGAARO CC(=O)c1cnc(NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)nc1C ZINC000092046873 218110254 /nfs/dbraw/zinc/11/02/54/218110254.db2.gz PDHUVMLHDBQIRV-GOSISDBHSA-N 1 0 338.455 3.279 50 0 EGAARO CC(C)CC[C@@]1(CC(=O)NCC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000009476572 211088170 /nfs/dbraw/zinc/08/81/70/211088170.db2.gz JAKKBZMJWNEQIG-IEBWSBKVSA-N 1 0 326.525 3.312 50 0 EGAARO CSc1ccccc1C(=O)[C@@H]1CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000095354061 218288637 /nfs/dbraw/zinc/28/86/37/218288637.db2.gz AJCJCWHFHINMBE-CYBMUJFWSA-N 1 0 342.468 3.188 50 0 EGAARO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1Cl ZINC000095366239 218299364 /nfs/dbraw/zinc/29/93/64/218299364.db2.gz BOPBYDVRTSFCPT-JKSUJKDBSA-N 1 0 348.874 3.181 50 0 EGAARO Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000095362857 218294916 /nfs/dbraw/zinc/29/49/16/218294916.db2.gz VWAALLYUSWFPTF-DLBZAZTESA-N 1 0 340.471 3.043 50 0 EGAARO CCn1c(C)cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1C ZINC000095365604 218298292 /nfs/dbraw/zinc/29/82/92/218298292.db2.gz TZOJBTCIIWKKGN-RTBURBONSA-N 1 0 343.515 3.461 50 0 EGAARO Cc1cc(C[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH]n1 ZINC000095378970 218310915 /nfs/dbraw/zinc/31/09/15/218310915.db2.gz GXFGOTDGFVACQM-OAHLLOKOSA-N 1 0 340.471 3.065 50 0 EGAARO CC(=O)OC[C@@]12CO[C@H](C[NH+]3CCCCC3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C ZINC000005092214 210388768 /nfs/dbraw/zinc/38/87/68/210388768.db2.gz DMZHTDDKCJBBRN-PRHYDEJPSA-N 1 0 335.488 3.269 50 0 biogenic EGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000097323926 219011806 /nfs/dbraw/zinc/01/18/06/219011806.db2.gz VTQPDNCOSMAZAC-AWEZNQCLSA-N 1 0 330.476 3.156 50 0 EGAARO Clc1ccc(-c2ccc(C[NH2+]CCCN3CCOCC3)o2)cc1 ZINC000004867834 210307037 /nfs/dbraw/zinc/30/70/37/210307037.db2.gz JESUBDBTHJZOFV-UHFFFAOYSA-N 1 0 334.847 3.412 50 0 EGAARO CC(C)c1noc(CN(C)Cc2cc(C[NH+]3CCCC3)cs2)n1 ZINC000097527952 219033370 /nfs/dbraw/zinc/03/33/70/219033370.db2.gz XZMNZVLGBDNQSG-UHFFFAOYSA-N 1 0 334.489 3.482 50 0 EGAARO CCc1nc(C)c(C(=O)NC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000097553373 219035530 /nfs/dbraw/zinc/03/55/30/219035530.db2.gz TZPQTPWNPUMUEM-UHFFFAOYSA-N 1 0 333.457 3.001 50 0 EGAARO C[NH+](C)C[C@]1(CO)CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000299769318 258083205 /nfs/dbraw/zinc/08/32/05/258083205.db2.gz MABAZKMFCRDSAK-HXUWFJFHSA-N 1 0 341.455 3.008 50 0 EGAARO Cc1cc(C(=O)NCCC2CC[NH+](C3CCCC3)CC2)cc(C)n1 ZINC000299796351 258100153 /nfs/dbraw/zinc/10/01/53/258100153.db2.gz RANAXQGWFJGGAY-UHFFFAOYSA-N 1 0 329.488 3.473 50 0 EGAARO O=C(CSCC[NH+]1CCCC1)NC1(c2ccccc2Cl)CC1 ZINC000299801310 258104359 /nfs/dbraw/zinc/10/43/59/258104359.db2.gz ZCRDCQNXPLFNLO-UHFFFAOYSA-N 1 0 338.904 3.274 50 0 EGAARO Cc1ncn(C)c1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000299801773 258104899 /nfs/dbraw/zinc/10/48/99/258104899.db2.gz ZATXLULRXIAPMR-GOSISDBHSA-N 1 0 340.471 3.158 50 0 EGAARO Cc1ccc(NC(=O)CNC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000071775013 258063941 /nfs/dbraw/zinc/06/39/41/258063941.db2.gz FNZIPKHDLUSZJL-UHFFFAOYSA-N 1 0 337.467 3.188 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299759408 258076815 /nfs/dbraw/zinc/07/68/15/258076815.db2.gz REWGSGGOTFHKOL-LBPRGKRZSA-N 1 0 332.835 3.494 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000082147391 302386773 /nfs/dbraw/zinc/38/67/73/302386773.db2.gz CCKYSLGNWJSKKF-UHFFFAOYSA-N 1 0 335.451 3.161 50 0 EGAARO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000449428938 310061340 /nfs/dbraw/zinc/06/13/40/310061340.db2.gz UNUQMOJLRZRNNW-MJGOQNOKSA-N 1 0 326.440 3.350 50 0 EGAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000001401284 452659914 /nfs/dbraw/zinc/65/99/14/452659914.db2.gz GOLJCWGLDINPSB-UHFFFAOYSA-N 1 0 329.831 3.344 50 0 EGAARO COc1ccc(OCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002191190 452687953 /nfs/dbraw/zinc/68/79/53/452687953.db2.gz ITELRMUAVVMDEF-UHFFFAOYSA-N 1 0 327.424 3.149 50 0 EGAARO COc1ccc([C@@H]2[NH2+][C@H](c3ccc(OC)cc3)C[C@H](O)[C@@H]2C)cc1 ZINC000002573557 452704922 /nfs/dbraw/zinc/70/49/22/452704922.db2.gz GTAOASWLKOJDQI-XCXWGBRNSA-N 1 0 327.424 3.477 50 0 EGAARO C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000002862728 452729820 /nfs/dbraw/zinc/72/98/20/452729820.db2.gz DCTSHABEOZVDGA-QWRGUYRKSA-N 1 0 333.259 3.075 50 0 EGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)OC12CCCCC2 ZINC000004037342 452789869 /nfs/dbraw/zinc/78/98/69/452789869.db2.gz XXCRHFHKCNIENE-YESZJQIVSA-N 1 0 349.471 3.060 50 0 biogenic EGAARO C[NH+](C)CCN(C(=O)Cc1ccccc1)c1nc2ccccc2s1 ZINC000004585292 452810235 /nfs/dbraw/zinc/81/02/35/452810235.db2.gz YIMHHGDDOSHPRF-UHFFFAOYSA-N 1 0 339.464 3.434 50 0 EGAARO Cn1c(CC[NH+]2CCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000005206944 452846426 /nfs/dbraw/zinc/84/64/26/452846426.db2.gz FWQXIBMMWXVBBJ-UHFFFAOYSA-N 1 0 348.450 3.464 50 0 EGAARO CC[NH+](CC)CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000005715170 452897730 /nfs/dbraw/zinc/89/77/30/452897730.db2.gz QYEAGDCUUIAVGQ-UHFFFAOYSA-N 1 0 326.868 3.346 50 0 EGAARO CCCc1ccc(OCC[NH+]2CCC(C(=O)OCC)CC2)c(OC)c1 ZINC000006703341 452973718 /nfs/dbraw/zinc/97/37/18/452973718.db2.gz GMBJQLUBBMGGNU-UHFFFAOYSA-N 1 0 349.471 3.302 50 0 EGAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(C)cc2OC)CC1 ZINC000006704209 452974365 /nfs/dbraw/zinc/97/43/65/452974365.db2.gz OLNNQWUKLXJNRW-UHFFFAOYSA-N 1 0 335.444 3.048 50 0 EGAARO Cc1ccc(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000007105209 453031382 /nfs/dbraw/zinc/03/13/82/453031382.db2.gz XZUIOTHZIJAECK-UHFFFAOYSA-N 1 0 337.467 3.236 50 0 EGAARO O=c1cc(N2CC[NH+](Cc3ccccc3)CC2)c(-c2ccccc2)n[nH]1 ZINC000008672169 453219036 /nfs/dbraw/zinc/21/90/36/453219036.db2.gz ZAKYFGVFBRJRCZ-UHFFFAOYSA-N 1 0 346.434 3.171 50 0 EGAARO COc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000008613762 453220208 /nfs/dbraw/zinc/22/02/08/453220208.db2.gz XDFAKUAZYHDWTG-IBGZPJMESA-N 1 0 342.414 3.401 50 0 biogenic EGAARO CSCC(=O)N1CC[C@H](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012571637 453375890 /nfs/dbraw/zinc/37/58/90/453375890.db2.gz LKGDKMMFSCRBFL-IBGZPJMESA-N 1 0 346.540 3.153 50 0 EGAARO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000014970188 453549208 /nfs/dbraw/zinc/54/92/08/453549208.db2.gz GAUBWGHVPJOKJW-QGZVFWFLSA-N 1 0 325.408 3.366 50 0 EGAARO Cc1onc(-c2ccccc2)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016604916 453614498 /nfs/dbraw/zinc/61/44/98/453614498.db2.gz FMHHCRJGDXRPTB-UHFFFAOYSA-N 1 0 327.428 3.253 50 0 EGAARO O[C@@H](C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000020218764 453662950 /nfs/dbraw/zinc/66/29/50/453662950.db2.gz DAEOUNAOCCGKMP-SFHVURJKSA-N 1 0 334.822 3.335 50 0 EGAARO COc1cc(C[N@@H+]2CCC[C@H]2CO)ccc1OCc1ccccc1 ZINC000023281085 453708131 /nfs/dbraw/zinc/70/81/31/453708131.db2.gz WMNCVXGNBITFKR-SFHVURJKSA-N 1 0 327.424 3.231 50 0 EGAARO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582229 453819008 /nfs/dbraw/zinc/81/90/08/453819008.db2.gz TWKCDFZUBMKNTI-MRXNPFEDSA-N 1 0 330.453 3.324 50 0 EGAARO COc1cccc2c1ncn(CC[C@@H]1CCCC[N@@H+]1C(C)C)c2=O ZINC000032540615 453877373 /nfs/dbraw/zinc/87/73/73/453877373.db2.gz YDCYHRWRRJFSBX-HNNXBMFYSA-N 1 0 329.444 3.058 50 0 EGAARO CC1(C)CC(CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC(C)(C)[NH2+]1 ZINC000067724670 453960552 /nfs/dbraw/zinc/96/05/52/453960552.db2.gz VEUASVQRJKLERM-HNNXBMFYSA-N 1 0 332.492 3.063 50 0 EGAARO CCCCOC(=O)N1CCC2(CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000067773404 453965465 /nfs/dbraw/zinc/96/54/65/453965465.db2.gz JMQFZAHSWVOPFR-KRWDZBQOSA-N 1 0 338.492 3.015 50 0 EGAARO Fc1ccc(CN2CCC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000055252633 453971940 /nfs/dbraw/zinc/97/19/40/453971940.db2.gz VVVZZFPAHRYHDR-HXUWFJFHSA-N 1 0 332.463 3.293 50 0 EGAARO COc1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000042751586 454023623 /nfs/dbraw/zinc/02/36/23/454023623.db2.gz NWHURSDTCMMVEU-UHFFFAOYSA-N 1 0 348.450 3.408 50 0 EGAARO O=C(Cn1ccc2ccc(F)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746884 454076441 /nfs/dbraw/zinc/07/64/41/454076441.db2.gz AWJAWEHNGOOJNY-WMZOPIPTSA-N 1 0 343.446 3.161 50 0 EGAARO COCCN(C(=O)c1oc2ccc(C)cc2c1C)C1CC[NH+](C)CC1 ZINC000077357216 454096724 /nfs/dbraw/zinc/09/67/24/454096724.db2.gz BCLOEAFCXDFOAP-UHFFFAOYSA-N 1 0 344.455 3.232 50 0 EGAARO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077470539 454109707 /nfs/dbraw/zinc/10/97/07/454109707.db2.gz WQKWDCIRKNUEIU-NRFANRHFSA-N 1 0 342.483 3.452 50 0 EGAARO CC[C@@]12C=CC[N@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000071404425 454206408 /nfs/dbraw/zinc/20/64/08/454206408.db2.gz FNGGIPWAZSFKCN-NJDAHSKKSA-N 1 0 336.435 3.221 50 0 EGAARO O=C(NCc1ccco1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000072049919 454269083 /nfs/dbraw/zinc/26/90/83/454269083.db2.gz VWYMYMRXJIXVCD-CQSZACIVSA-N 1 0 333.457 3.053 50 0 EGAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@]2(C1)c1ccccc1NC2=O ZINC000072170548 454274065 /nfs/dbraw/zinc/27/40/65/454274065.db2.gz RWYJVIVBDYHGDO-SFHVURJKSA-N 1 0 342.468 3.147 50 0 EGAARO Cc1ccc(Cl)c(NC(=O)NCCCCC[NH+]2CCOCC2)c1 ZINC000096132316 454290447 /nfs/dbraw/zinc/29/04/47/454290447.db2.gz GGACOBOSUCOULB-UHFFFAOYSA-N 1 0 339.867 3.272 50 0 EGAARO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ncnc4sccc43)C2)c1 ZINC000097200971 454423956 /nfs/dbraw/zinc/42/39/56/454423956.db2.gz FNWUDPWPTXNZCH-ZDUSSCGKSA-N 1 0 325.441 3.333 50 0 EGAARO COc1ccc2c(C)c(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)oc2c1 ZINC000091321396 454427235 /nfs/dbraw/zinc/42/72/35/454427235.db2.gz KLCMNEKPDXADGB-ZDUSSCGKSA-N 1 0 342.439 3.449 50 0 EGAARO O=c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)[nH]c2ccc(F)cc12 ZINC000091364590 454430104 /nfs/dbraw/zinc/43/01/04/454430104.db2.gz YUHQKQCWXMLVEB-UHFFFAOYSA-N 1 0 330.403 3.472 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(NC(C)=O)cc1 ZINC000063847208 454454669 /nfs/dbraw/zinc/45/46/69/454454669.db2.gz OCFZPXKMJYQQJE-SFHVURJKSA-N 1 0 332.469 3.480 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000063847726 454454812 /nfs/dbraw/zinc/45/48/12/454454812.db2.gz WJULKDROLHAYKR-OAHLLOKOSA-N 1 0 349.452 3.259 50 0 EGAARO CCc1oc(C(=O)N2CCC[C@@](CC)(CO)C2)cc1C[NH+]1CCCC1 ZINC000091782351 454470733 /nfs/dbraw/zinc/47/07/33/454470733.db2.gz XAUWLSJPLJVARO-HXUWFJFHSA-N 1 0 348.487 3.063 50 0 EGAARO Cc1ccccc1-n1cc(-c2ccnc(NC3CC[NH+](C)CC3)n2)cn1 ZINC000048488313 454493126 /nfs/dbraw/zinc/49/31/26/454493126.db2.gz WQFRCIZIHNGGBI-UHFFFAOYSA-N 1 0 348.454 3.144 50 0 EGAARO CC(C)(C)c1cc(C[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)[nH]n1 ZINC000092019885 454503466 /nfs/dbraw/zinc/50/34/66/454503466.db2.gz NQAUDNADASLQKN-UHFFFAOYSA-N 1 0 344.846 3.492 50 0 EGAARO O=C(NCc1ccc(Cl)cc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065371004 454555284 /nfs/dbraw/zinc/55/52/84/454555284.db2.gz DDUUPKGBEIJBQN-OLZOCXBDSA-N 1 0 328.243 3.029 50 0 EGAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1ccc2c(c1)nnn2C ZINC000065382103 454556664 /nfs/dbraw/zinc/55/66/64/454556664.db2.gz ZUWPRGHTUDRLPE-UHFFFAOYSA-N 1 0 333.399 3.043 50 0 EGAARO CCCn1cc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000065432645 454567436 /nfs/dbraw/zinc/56/74/36/454567436.db2.gz VYWJFEJKRSHANF-UHFFFAOYSA-N 1 0 340.471 3.209 50 0 EGAARO COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(OC)cc3F)C[C@H]2O)c1 ZINC000065508727 454580983 /nfs/dbraw/zinc/58/09/83/454580983.db2.gz JVMYEGZXRXKQDL-AZUAARDMSA-N 1 0 345.414 3.193 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc2c1ccn2C(C)C ZINC000253394671 455838588 /nfs/dbraw/zinc/83/85/88/455838588.db2.gz AFAWLACBUFFTBJ-INIZCTEOSA-N 1 0 343.471 3.202 50 0 EGAARO COCc1nc(NCCCc2ccccc2F)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000222417308 456047259 /nfs/dbraw/zinc/04/72/59/456047259.db2.gz SIUUTRYVBNRCEZ-GASCZTMLSA-N 1 0 344.434 3.012 50 0 EGAARO COc1ccc(Cl)cc1C(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000223127556 456053759 /nfs/dbraw/zinc/05/37/59/456053759.db2.gz GXBHDWNNVDHHRF-CYBMUJFWSA-N 1 0 336.863 3.343 50 0 EGAARO Cc1c[nH]c(CN(C)C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000299774768 456780345 /nfs/dbraw/zinc/78/03/45/456780345.db2.gz IELXPZGCNWTEIN-UHFFFAOYSA-N 1 0 340.471 3.366 50 0 EGAARO C[C@@H](c1ccc(-c2cnc3c(C(N)=O)cnn3c2)cc1)[NH+]1CCCCC1 ZINC000426371139 457813366 /nfs/dbraw/zinc/81/33/66/457813366.db2.gz PXVNIWAVGCKLMO-AWEZNQCLSA-N 1 0 349.438 3.042 50 0 EGAARO C[C@@H](O)c1cccc(-c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)c1 ZINC000426386964 457819554 /nfs/dbraw/zinc/81/95/54/457819554.db2.gz VCTJNYXJZFNPEX-MRXNPFEDSA-N 1 0 338.451 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ZINC000012307582 1291131310 /nfs/dbraw/zinc/13/13/10/1291131310.db2.gz JVEKDQODHKBERR-HXUWFJFHSA-N 1 0 343.515 3.438 50 0 EGAARO Cc1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)on1 ZINC000012331916 1291132153 /nfs/dbraw/zinc/13/21/53/1291132153.db2.gz XHJJPIKGDIBDFH-QGZVFWFLSA-N 1 0 345.418 3.135 50 0 EGAARO Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+](C/C=C/c2ccco2)C1 ZINC000067910048 1292176087 /nfs/dbraw/zinc/17/60/87/1292176087.db2.gz LCPLXNUPBLCWLD-WUTVXBCWSA-N 1 0 328.412 3.336 50 0 EGAARO O=C(CN1CCc2ccccc2C1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828065520 1292425614 /nfs/dbraw/zinc/42/56/14/1292425614.db2.gz WRGZXIAEIRSQMN-UHFFFAOYSA-N 1 0 349.478 3.279 50 0 EGAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCCNc1ccc(C)cn1)CC2 ZINC000824751174 1320283055 /nfs/dbraw/zinc/28/30/55/1320283055.db2.gz YOKMJLAVSILFMB-SFHVURJKSA-N 1 0 325.456 3.348 50 0 EGAARO O=C(NCCOc1ccc(F)cc1)C1([NH+]2CCCC2)CCCCC1 ZINC000826588498 1320389484 /nfs/dbraw/zinc/38/94/84/1320389484.db2.gz BPSCIXCBNVADHQ-UHFFFAOYSA-N 1 0 334.435 3.119 50 0 EGAARO Cc1nc(-c2cccc(NC(=O)CCC[NH+]3CCCCCC3)c2)n[nH]1 ZINC000952868046 1334583906 /nfs/dbraw/zinc/58/39/06/1334583906.db2.gz XFWUSNQRLJWKOE-UHFFFAOYSA-N 1 0 341.459 3.375 50 0 EGAARO COc1ncc(C[N@@H+]2CCCC[C@@H]2CCc2cccc(O)c2)cn1 ZINC000952975648 1334628321 /nfs/dbraw/zinc/62/83/21/1334628321.db2.gz YADOBTSXLDDCSA-QGZVFWFLSA-N 1 0 327.428 3.178 50 0 EGAARO O[C@H](c1cccs1)C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000952976255 1334628573 /nfs/dbraw/zinc/62/85/73/1334628573.db2.gz LQZYRYKJKCWINQ-KRWDZBQOSA-N 1 0 329.425 3.230 50 0 EGAARO COc1ccccc1Cc1nc([C@H](C)[NH3+])n(Cc2ccc(F)cc2)n1 ZINC000952976522 1334628605 /nfs/dbraw/zinc/62/86/05/1334628605.db2.gz GFQVSOCMPTYTAV-ZDUSSCGKSA-N 1 0 340.402 3.085 50 0 EGAARO Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)n1 ZINC000952988982 1334631098 /nfs/dbraw/zinc/63/10/98/1334631098.db2.gz BIIPUDIXTCQLMB-UHFFFAOYSA-N 1 0 339.439 3.424 50 0 EGAARO CC(=O)c1[nH]c(C)c(C(=O)N(C)[C@@H](C[NH+](C)C)c2ccccc2)c1C ZINC000952990913 1334631888 /nfs/dbraw/zinc/63/18/88/1334631888.db2.gz XPDNBWHSZMCHSV-KRWDZBQOSA-N 1 0 341.455 3.209 50 0 EGAARO Cc1cc(NC(=O)[C@H]2[C@@H]([NH3+])[C@H]3C=C[C@@H]2C3)ccc1NC(=O)C(C)(C)C ZINC000952991180 1334631970 /nfs/dbraw/zinc/63/19/70/1334631970.db2.gz POJDVQODFPDZRQ-GFOFROLCSA-N 1 0 341.455 3.068 50 0 EGAARO O[C@@H]1CCC[C@]12CCC[N@@H+](C1CCN(c3cccc(F)c3)CC1)C2 ZINC001704344738 1416449766 /nfs/dbraw/zinc/44/97/66/1416449766.db2.gz XVYDUYKVQRVIKV-WOJBJXKFSA-N 1 0 332.463 3.422 50 0 EGAARO O=C(NCC[C@@H]1CCOC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC001704348953 1416452333 /nfs/dbraw/zinc/45/23/33/1416452333.db2.gz PHAVGANXAAWHKN-GOSISDBHSA-N 1 0 330.472 3.219 50 0 EGAARO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)o1 ZINC001704353171 1416453760 /nfs/dbraw/zinc/45/37/60/1416453760.db2.gz SKHXAPIRELAGRD-MRXNPFEDSA-N 1 0 327.428 3.022 50 0 EGAARO O=c1cc(C2CC[NH+](C3CCN(Cc4ccco4)CC3)CC2)cc[nH]1 ZINC001772805383 1441417415 /nfs/dbraw/zinc/41/74/15/1441417415.db2.gz MROILOMDDKRWPI-UHFFFAOYSA-N 1 0 341.455 3.224 50 0 EGAARO CCCC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCC)C2)c1 ZINC000055107743 214273418 /nfs/dbraw/zinc/27/34/18/214273418.db2.gz NJDUYWHDDLSVLE-QGZVFWFLSA-N 1 0 331.460 3.029 50 0 EGAARO COCc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)ccc1OC ZINC000055225152 214291601 /nfs/dbraw/zinc/29/16/01/214291601.db2.gz GJNNHVGDNDXJFE-UHFFFAOYSA-N 1 0 331.460 3.233 50 0 EGAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000097775654 219056793 /nfs/dbraw/zinc/05/67/93/219056793.db2.gz RRLJHKCAWBIPNP-CQSZACIVSA-N 1 0 332.341 3.335 50 0 EGAARO Cc1ccnc(NCC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000055575337 214330848 /nfs/dbraw/zinc/33/08/48/214330848.db2.gz UTXBVYXKBQYWFD-UHFFFAOYSA-N 1 0 325.391 3.121 50 0 EGAARO CC[C@]12CCC[N@@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000101124863 219117134 /nfs/dbraw/zinc/11/71/34/219117134.db2.gz GIGFIWJRTMBSRP-QHAWAJNXSA-N 1 0 338.451 3.445 50 0 biogenic EGAARO C[C@H](C1=CCC[N@H+](Cc2ccncc2)C1)N(C)C(=O)c1cccs1 ZINC000067643320 215172731 /nfs/dbraw/zinc/17/27/31/215172731.db2.gz PXJOQNOIUNPGDP-OAHLLOKOSA-N 1 0 341.480 3.436 50 0 EGAARO CCOc1ccc2oc(C)c(C(=O)NC[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000067674370 215178733 /nfs/dbraw/zinc/17/87/33/215178733.db2.gz UTUHXHAGGLCJFF-AWEZNQCLSA-N 1 0 330.428 3.212 50 0 EGAARO CC(C)C(=O)Nc1cccnc1-c1cc2c(c(Cl)c1)O[C@@H](C[NH3+])C2 ZINC000067712914 215191298 /nfs/dbraw/zinc/19/12/98/215191298.db2.gz SAKQPUDIPGIYGJ-CYBMUJFWSA-N 1 0 345.830 3.259 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1c[nH]nc1-c1cccs1 ZINC000067756794 215204946 /nfs/dbraw/zinc/20/49/46/215204946.db2.gz RBMXDDSZQDHDQE-CQSZACIVSA-N 1 0 332.473 3.019 50 0 EGAARO CCC(C)(C)[NH2+]C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067770530 215207657 /nfs/dbraw/zinc/20/76/57/215207657.db2.gz IULJUBWXPDMZDE-OAQYLSRUSA-N 1 0 346.515 3.442 50 0 EGAARO Cc1cccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)nc21 ZINC000067847174 215228547 /nfs/dbraw/zinc/22/85/47/215228547.db2.gz WMTIYFVTIUUDTP-AWEZNQCLSA-N 1 0 325.412 3.336 50 0 EGAARO Cc1ccc(NC(=O)NCC[C@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000067847352 215230325 /nfs/dbraw/zinc/23/03/25/215230325.db2.gz CSDLOVCMCZAXLU-QGZVFWFLSA-N 1 0 345.487 3.398 50 0 EGAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+](C)CC1(CO)CCOCC1 ZINC000067935121 215255019 /nfs/dbraw/zinc/25/50/19/215255019.db2.gz YHYIXNRFMHRNQT-UHFFFAOYSA-N 1 0 344.455 3.179 50 0 EGAARO CC(C)(C)C[N@@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1CCO ZINC000104370179 219380654 /nfs/dbraw/zinc/38/06/54/219380654.db2.gz DJSCSJSKOOEPLI-MRXNPFEDSA-N 1 0 342.886 3.394 50 0 EGAARO CC(C)=CCN1CC[N@H+](Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104484872 219389569 /nfs/dbraw/zinc/38/95/69/219389569.db2.gz WWDZRJRRTBDIRI-GOSISDBHSA-N 1 0 328.456 3.268 50 0 EGAARO Cc1ccccc1C[NH+]1CCN(Cc2cccc3nccnc23)CC1 ZINC000072129801 216020967 /nfs/dbraw/zinc/02/09/67/216020967.db2.gz BXXSGXGXSZFIBY-UHFFFAOYSA-N 1 0 332.451 3.256 50 0 EGAARO COc1ccc(CN(Cc2cccnc2)C2CC[NH+](C)CC2)cc1C ZINC000072162268 216049846 /nfs/dbraw/zinc/04/98/46/216049846.db2.gz OASKWCHPMGUTMO-UHFFFAOYSA-N 1 0 339.483 3.495 50 0 EGAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072154784 216043450 /nfs/dbraw/zinc/04/34/50/216043450.db2.gz ODDWVOHAJOKYDR-ZDUSSCGKSA-N 1 0 329.362 3.025 50 0 EGAARO CN(C(=O)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)C1Cc2ccccc2C1 ZINC000072165475 216054226 /nfs/dbraw/zinc/05/42/26/216054226.db2.gz JPNRPUMFCKAIFS-SFHVURJKSA-N 1 0 348.490 3.468 50 0 EGAARO C[NH+](C)CCNc1cc(-c2cnc3ccccc3n2)c2cc[nH]c2n1 ZINC000072166648 216056006 /nfs/dbraw/zinc/05/60/06/216056006.db2.gz AWZXULMZFASXFO-UHFFFAOYSA-N 1 0 332.411 3.147 50 0 EGAARO O=C1NC[C@@]2(CCC[N@H+](Cc3nc(-c4ccccc4)cs3)CC2)O1 ZINC000072165871 216056347 /nfs/dbraw/zinc/05/63/47/216056347.db2.gz ZLZUKWQAFFPRNN-SFHVURJKSA-N 1 0 343.452 3.275 50 0 EGAARO COc1cccc([C@H]2C[N@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072168967 216061216 /nfs/dbraw/zinc/06/12/16/216061216.db2.gz NXXYMHNXEJXLID-YPAWHYETSA-N 1 0 349.478 3.152 50 0 EGAARO Cc1ccc([C@H]2CN(C(=O)c3ccco3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072174216 216064964 /nfs/dbraw/zinc/06/49/64/216064964.db2.gz CAOLCQZIZPERHJ-MISYRCLQSA-N 1 0 336.435 3.290 50 0 EGAARO CC(C)c1nc2c(cnn2C)c(NCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000072168145 216059410 /nfs/dbraw/zinc/05/94/10/216059410.db2.gz XWFIBTHDXPRYSY-CQSZACIVSA-N 1 0 330.480 3.021 50 0 EGAARO CN(CCC[NH+]1CCCCC1)C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072429475 216220149 /nfs/dbraw/zinc/22/01/49/216220149.db2.gz JSDUPYPGNSLSDS-UHFFFAOYSA-N 1 0 346.515 3.338 50 0 EGAARO Fc1ccccc1-c1cc(NCC[C@@H]2CCCC[NH2+]2)n2nccc2n1 ZINC000072433865 216228380 /nfs/dbraw/zinc/22/83/80/216228380.db2.gz WFTIJXVVETXFOY-AWEZNQCLSA-N 1 0 339.418 3.480 50 0 EGAARO CC[C@@H](c1cccs1)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072436662 216231822 /nfs/dbraw/zinc/23/18/22/216231822.db2.gz OEZAZVOGJOTUEW-HNNXBMFYSA-N 1 0 327.457 3.301 50 0 EGAARO O=C(c1cccc(O)c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072468046 216247524 /nfs/dbraw/zinc/24/75/24/216247524.db2.gz PNEONZZSOMPVHP-UHFFFAOYSA-N 1 0 338.451 3.173 50 0 EGAARO CC[NH+]1CCC(N[C@H](C)c2cnn(-c3cccc(F)c3)c2C)CC1 ZINC000023619237 212386116 /nfs/dbraw/zinc/38/61/16/212386116.db2.gz JMXOLJMRBMNBGV-CQSZACIVSA-N 1 0 330.451 3.455 50 0 EGAARO Cc1ocnc1C(=O)NC[C@H](c1ccccc1C)[NH+]1CCC(C)CC1 ZINC000215653601 241137180 /nfs/dbraw/zinc/13/71/80/241137180.db2.gz CEJDPSGIMOOOJO-GOSISDBHSA-N 1 0 341.455 3.494 50 0 EGAARO COc1ccc(CN(C)c2cc(C3CC([NH3+])C3)ncn2)c2ccccc12 ZINC000222532704 241524509 /nfs/dbraw/zinc/52/45/09/241524509.db2.gz RIZSFFZVIAXCBQ-UHFFFAOYSA-N 1 0 348.450 3.480 50 0 EGAARO c1cnn(CCC2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)c1 ZINC000244594214 243041740 /nfs/dbraw/zinc/04/17/40/243041740.db2.gz DILNSLGEAWVSMM-UHFFFAOYSA-N 1 0 349.482 3.430 50 0 EGAARO Cc1ccccc1CSCCNc1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000244787839 243082145 /nfs/dbraw/zinc/08/21/45/243082145.db2.gz QEPRPZXAGRZTNB-WKILWMFISA-N 1 0 328.485 3.335 50 0 EGAARO OCC[C@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1C1CCCC1 ZINC000020781290 212171307 /nfs/dbraw/zinc/17/13/07/212171307.db2.gz NEJUDYLXKUIGSJ-FQEVSTJZSA-N 1 0 339.483 3.046 50 0 EGAARO O=C(CC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)NC1CC1 ZINC000244873372 243091705 /nfs/dbraw/zinc/09/17/05/243091705.db2.gz WPBALERVGXWKOD-OAHLLOKOSA-N 1 0 332.835 3.022 50 0 EGAARO O=C(CCC(F)(F)F)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244882884 243097974 /nfs/dbraw/zinc/09/79/74/243097974.db2.gz YBANBQKKZOUSBT-HNNXBMFYSA-N 1 0 328.378 3.357 50 0 EGAARO Clc1ccc2nc(C[N@@H+]3CCC[C@@H](N4CCOCC4)C3)ccc2c1 ZINC000020599714 212150705 /nfs/dbraw/zinc/15/07/05/212150705.db2.gz AFHPIGOAXYFGFY-GOSISDBHSA-N 1 0 345.874 3.185 50 0 EGAARO CCC(CC)[NH+]1CCN(Cc2cc(OC)c(OC)cc2OC)CC1 ZINC000019889638 212079416 /nfs/dbraw/zinc/07/94/16/212079416.db2.gz GXSABZMAEIINTC-UHFFFAOYSA-N 1 0 336.476 3.019 50 0 EGAARO Cc1cccc(OCC(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000019841915 212075555 /nfs/dbraw/zinc/07/55/55/212075555.db2.gz XQNIVAFXVONFSY-UHFFFAOYSA-N 1 0 330.472 3.097 50 0 EGAARO COc1cccc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1OC ZINC000019832033 212072551 /nfs/dbraw/zinc/07/25/51/212072551.db2.gz GGVGEFVMFZWFFU-FUHWJXTLSA-N 1 0 332.488 3.400 50 0 EGAARO C[N@@H+]1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1CCO ZINC000019773919 212064640 /nfs/dbraw/zinc/06/46/40/212064640.db2.gz HWGPIWBMWMQQJF-INIZCTEOSA-N 1 0 334.847 3.098 50 0 EGAARO OCC[C@@H]1CN(CCCc2ccccc2)CC[N@@H+]1C1CCCCC1 ZINC000019741952 212060380 /nfs/dbraw/zinc/06/03/80/212060380.db2.gz XRFXRTHFQJJDDZ-OAQYLSRUSA-N 1 0 330.516 3.321 50 0 EGAARO CCOc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000019536475 212039794 /nfs/dbraw/zinc/03/97/94/212039794.db2.gz IGYWESMVGDLJSG-UHFFFAOYSA-N 1 0 326.440 3.109 50 0 EGAARO [NH3+][C@@H](c1ccc(F)cc1)c1ccccc1I ZINC000019421597 212027350 /nfs/dbraw/zinc/02/73/50/212027350.db2.gz JRSDJGNDLGEWLN-ZDUSSCGKSA-N 1 0 327.140 3.478 50 0 EGAARO COc1cccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c1OC ZINC000019359817 212021671 /nfs/dbraw/zinc/02/16/71/212021671.db2.gz QARPUMYCZOZHPG-KRWDZBQOSA-N 1 0 330.472 3.178 50 0 EGAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)c2c1 ZINC000082109024 217468898 /nfs/dbraw/zinc/46/88/98/217468898.db2.gz UUIHCUDIAVCYRD-MRXNPFEDSA-N 1 0 344.455 3.037 50 0 EGAARO C[C@H](c1ccc(F)cc1)N1C(=O)CC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC000012247660 211329708 /nfs/dbraw/zinc/32/97/08/211329708.db2.gz KVTYRQCSIKQAMS-DNVCBOLYSA-N 1 0 341.430 3.453 50 0 EGAARO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012298406 211336997 /nfs/dbraw/zinc/33/69/97/211336997.db2.gz URPQRVJGTOUMDD-IBGZPJMESA-N 1 0 336.426 3.435 50 0 EGAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CO)c(C)o2)cc1C ZINC000012072877 211286678 /nfs/dbraw/zinc/28/66/78/211286678.db2.gz UWWZSUNUZHATSQ-MRXNPFEDSA-N 1 0 330.428 3.314 50 0 EGAARO CC(C)=CC[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012030027 211281441 /nfs/dbraw/zinc/28/14/41/211281441.db2.gz WPVZOTHWWDLSGK-CQSZACIVSA-N 1 0 326.362 3.362 50 0 EGAARO Cc1nn(C)cc1C[NH+]1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000011997691 211277358 /nfs/dbraw/zinc/27/73/58/211277358.db2.gz LMNXSAVZIDGVDC-UHFFFAOYSA-N 1 0 347.890 3.199 50 0 EGAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000011879166 211263031 /nfs/dbraw/zinc/26/30/31/211263031.db2.gz DROVBKVLYFXUGV-ZDUSSCGKSA-N 1 0 337.847 3.422 50 0 EGAARO O=C(CC[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1)NC1CC1 ZINC000011874626 211262313 /nfs/dbraw/zinc/26/23/13/211262313.db2.gz WFSIJGSAUMTTKH-AWEZNQCLSA-N 1 0 347.528 3.293 50 0 EGAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091562946 218022393 /nfs/dbraw/zinc/02/23/93/218022393.db2.gz GQADHHOOLFZVMW-PQGDUDRBSA-N 1 0 345.483 3.208 50 0 EGAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000091562755 218022558 /nfs/dbraw/zinc/02/25/58/218022558.db2.gz QAVQPMVAGDMAQI-LSDHHAIUSA-N 1 0 338.398 3.121 50 0 EGAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000011843514 211256202 /nfs/dbraw/zinc/25/62/02/211256202.db2.gz GKKZGPUSVMMTJH-UHFFFAOYSA-N 1 0 333.472 3.485 50 0 EGAARO CN(C)c1ncc2c(n1)CCC[C@H]2[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000011840979 211253851 /nfs/dbraw/zinc/25/38/51/211253851.db2.gz OGACZMBGTWHSGT-XAPRQVHKSA-N 1 0 326.488 3.478 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000011821636 211253047 /nfs/dbraw/zinc/25/30/47/211253047.db2.gz JWWAXMCHRZVNGZ-IBGZPJMESA-N 1 0 329.488 3.191 50 0 EGAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000091819796 218070642 /nfs/dbraw/zinc/07/06/42/218070642.db2.gz NDLMUCPEONIUPU-SMDDNHRTSA-N 1 0 327.350 3.263 50 0 EGAARO CC(C)Cc1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)[nH]n1 ZINC000011664446 211231185 /nfs/dbraw/zinc/23/11/85/211231185.db2.gz MEUJDJYNDMEGHY-UHFFFAOYSA-N 1 0 341.499 3.425 50 0 EGAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1)c1cccs1 ZINC000011662037 211229980 /nfs/dbraw/zinc/22/99/80/211229980.db2.gz JEHZQUWJAMDUJL-HNNXBMFYSA-N 1 0 330.453 3.096 50 0 EGAARO CCn1ccnc1CN1CCC([C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000011663224 211229832 /nfs/dbraw/zinc/22/98/32/211229832.db2.gz JLWSICKMARLLOP-SFHVURJKSA-N 1 0 332.536 3.483 50 0 EGAARO COCC[C@]1(O)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000091794525 218067913 /nfs/dbraw/zinc/06/79/13/218067913.db2.gz OXIPJHAWXZAXAS-CZUORRHYSA-N 1 0 331.378 3.315 50 0 EGAARO CC(C)Cc1cc(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)on1 ZINC000092021125 218105118 /nfs/dbraw/zinc/10/51/18/218105118.db2.gz KZCJBCOHSLXYRN-UHFFFAOYSA-N 1 0 333.476 3.402 50 0 EGAARO Cc1cc[nH+]c(NCCNC(=O)c2ccc([C@@H]3CCCO3)s2)c1 ZINC000092038876 218108760 /nfs/dbraw/zinc/10/87/60/218108760.db2.gz WGHZILDRXYLYHX-ZDUSSCGKSA-N 1 0 331.441 3.145 50 0 EGAARO CSCc1nc(CNC(=O)CC2CC[NH+](C(C)C)CC2)cs1 ZINC000095357952 218291632 /nfs/dbraw/zinc/29/16/32/218291632.db2.gz WRSBLDXABRNGNG-UHFFFAOYSA-N 1 0 341.546 3.133 50 0 EGAARO Cc1ccccc1C[N@@H+]1CC[C@@H](Cn2cc(-c3nccs3)nn2)C1 ZINC000095358577 218291675 /nfs/dbraw/zinc/29/16/75/218291675.db2.gz QTODTDXWEMCGKC-OAHLLOKOSA-N 1 0 339.468 3.232 50 0 EGAARO O=C(c1cc[nH]c1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095358721 218291691 /nfs/dbraw/zinc/29/16/91/218291691.db2.gz JKVCYMOKLSHOAT-AZUAARDMSA-N 1 0 337.467 3.184 50 0 EGAARO Cc1nccn1-c1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000095375750 218309412 /nfs/dbraw/zinc/30/94/12/218309412.db2.gz VTWFZNJUDQHZLR-SFHVURJKSA-N 1 0 340.471 3.061 50 0 EGAARO CCc1nc(C)c(CNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000095377986 218310476 /nfs/dbraw/zinc/31/04/76/218310476.db2.gz SLGYJDNEIVSQEV-AWEZNQCLSA-N 1 0 335.517 3.285 50 0 EGAARO Cc1csc(CN(C)C(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)n1 ZINC000095379751 218312831 /nfs/dbraw/zinc/31/28/31/218312831.db2.gz ZQXWPZKSLMNJSP-MRXNPFEDSA-N 1 0 329.469 3.191 50 0 EGAARO OC1CC[NH+](C2CCN(c3ccc4cccc(Cl)c4n3)CC2)CC1 ZINC000095389294 218320953 /nfs/dbraw/zinc/32/09/53/218320953.db2.gz WWHHCDQRGDLJEG-UHFFFAOYSA-N 1 0 345.874 3.314 50 0 EGAARO Cc1ccc2ncccc2c1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095390539 218322858 /nfs/dbraw/zinc/32/28/58/218322858.db2.gz BSYHCAHOKNQFFX-INIZCTEOSA-N 1 0 325.456 3.424 50 0 EGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@H]1c1nccs1 ZINC000095383211 218315942 /nfs/dbraw/zinc/31/59/42/218315942.db2.gz LWAOJUVLWSMPJM-INIZCTEOSA-N 1 0 345.468 3.312 50 0 EGAARO CC(=O)N(C)c1cccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000097301422 219011303 /nfs/dbraw/zinc/01/13/03/219011303.db2.gz BMOZBJXSNVVVPH-UHFFFAOYSA-N 1 0 346.475 3.007 50 0 EGAARO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000097347273 219013880 /nfs/dbraw/zinc/01/38/80/219013880.db2.gz HBEYBXUPAJQRDM-KRWDZBQOSA-N 1 0 336.863 3.020 50 0 EGAARO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)Nc1cccnc1 ZINC000097463665 219026295 /nfs/dbraw/zinc/02/62/95/219026295.db2.gz ZBJHZHLRCBIQRL-UHFFFAOYSA-N 1 0 338.455 3.158 50 0 EGAARO CCOc1cc(C[NH2+]Cc2cc(OC)cc(OC)c2)ccc1OC ZINC000000172178 258047725 /nfs/dbraw/zinc/04/77/25/258047725.db2.gz NMOLJCFDAQVRFO-UHFFFAOYSA-N 1 0 331.412 3.401 50 0 biogenic EGAARO CCOc1cccc(OCC[N@@H+]2CC[C@](O)(c3ccccc3)C2)c1 ZINC000299779460 258088783 /nfs/dbraw/zinc/08/87/83/258088783.db2.gz OCWVPZKOYASCOW-HXUWFJFHSA-N 1 0 327.424 3.058 50 0 EGAARO Cc1n[nH]c(C)c1CC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000299785044 258092442 /nfs/dbraw/zinc/09/24/42/258092442.db2.gz IORLWRIMSWHUCY-UHFFFAOYSA-N 1 0 341.484 3.001 50 0 EGAARO COCc1cc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)ccc1OC ZINC000299787555 258094460 /nfs/dbraw/zinc/09/44/60/258094460.db2.gz PCZYYLVQYFGCNZ-YSIASYRMSA-N 1 0 349.471 3.000 50 0 EGAARO Cc1cccc(-c2nc(CNC(=O)[C@@]3(C)CC[N@@H+](C)C3)cs2)c1 ZINC000299799329 258103185 /nfs/dbraw/zinc/10/31/85/258103185.db2.gz QSYQBEQYBUBZHF-SFHVURJKSA-N 1 0 329.469 3.077 50 0 EGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc(C(F)F)n[nH]1 ZINC000299800772 258103956 /nfs/dbraw/zinc/10/39/56/258103956.db2.gz YHUPTWVXHYJDCE-MRXNPFEDSA-N 1 0 348.397 3.304 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cc(C4CCCCC4)no3)[C@H]1C[C@@H](O)CC2 ZINC000299760825 258078176 /nfs/dbraw/zinc/07/81/76/258078176.db2.gz XLPHFZOZGDJZLS-ZYSHUDEJSA-N 1 0 334.460 3.227 50 0 EGAARO Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000004018778 292127124 /nfs/dbraw/zinc/12/71/24/292127124.db2.gz NZUUPLWSKJXMDC-BPQIPLTHSA-N 1 0 326.440 3.282 50 0 EGAARO Cc1c2cc3c(cc2c[n+]2c1-c1cc4c(cc1CC2)OCO4)OCO3 ZINC000012153738 274667611 /nfs/dbraw/zinc/66/76/11/274667611.db2.gz LCXREBMNASQAOC-UHFFFAOYSA-N 1 0 334.351 3.116 50 0 biogenic,in-vitro EGAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 ZINC000005094022 276152331 /nfs/dbraw/zinc/15/23/31/276152331.db2.gz ZKPPVHCDRPSISC-LJQANCHMSA-N 1 0 348.450 3.437 50 0 EGAARO CCS[C@@H](C)C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072429828 276395324 /nfs/dbraw/zinc/39/53/24/276395324.db2.gz MTXPVESVFBKCKH-INIZCTEOSA-N 1 0 334.529 3.294 50 0 EGAARO COc1ccccc1N1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC000011820705 323211916 /nfs/dbraw/zinc/21/19/16/323211916.db2.gz NKIRQWVLKMXKCE-GOSISDBHSA-N 1 0 338.451 3.257 50 0 EGAARO Cc1ncn(CC(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)c1C ZINC000240228073 455263857 /nfs/dbraw/zinc/26/38/57/455263857.db2.gz KFSKVZLJHDGJMA-FQEVSTJZSA-N 1 0 325.456 3.326 50 0 EGAARO C[C@@H]1CCC[N@H+](CCC(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000244678900 455276073 /nfs/dbraw/zinc/27/60/73/455276073.db2.gz ILZRYQYMGSQCGN-RTBURBONSA-N 1 0 343.515 3.093 50 0 EGAARO CCOc1cc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)ccc1O ZINC000000034448 452493184 /nfs/dbraw/zinc/49/31/84/452493184.db2.gz KODKHELZSJNQSI-IBGZPJMESA-N 1 0 329.396 3.043 50 0 biogenic EGAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH+](CC)CC)CCCC2 ZINC000000084400 452502804 /nfs/dbraw/zinc/50/28/04/452502804.db2.gz OEIPEAYCWZWQGC-UHFFFAOYSA-N 1 0 338.473 3.084 50 0 EGAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@@H](C)CC)CCCC2 ZINC000000131696 452515905 /nfs/dbraw/zinc/51/59/05/452515905.db2.gz DJSCEFCXOPIKHJ-NSHDSACASA-N 1 0 338.473 3.130 50 0 EGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000000237232 452542803 /nfs/dbraw/zinc/54/28/03/452542803.db2.gz CYBHGRMOUGHKPK-ZDUSSCGKSA-N 1 0 326.234 3.224 50 0 EGAARO COc1c(C)cccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000000528741 452614628 /nfs/dbraw/zinc/61/46/28/452614628.db2.gz WFHXUQSBFNYRIA-UHFFFAOYSA-N 1 0 339.439 3.008 50 0 EGAARO C[NH+]1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000002334129 452692180 /nfs/dbraw/zinc/69/21/80/452692180.db2.gz RIOJFAJLOCMDNX-UHFFFAOYSA-N 1 0 349.482 3.446 50 0 EGAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1Br ZINC000002472550 452700512 /nfs/dbraw/zinc/70/05/12/452700512.db2.gz ZDCJQKAYRRBPHW-RCBQFDQVSA-N 1 0 340.261 3.413 50 0 EGAARO CSCCC[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000002498449 452702933 /nfs/dbraw/zinc/70/29/33/452702933.db2.gz LGCBVXVDNMSGLC-UHFFFAOYSA-N 1 0 344.318 3.486 50 0 EGAARO COc1ccccc1C(=O)N1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000002734966 452718052 /nfs/dbraw/zinc/71/80/52/452718052.db2.gz IHQWZVGNHFCNKW-HZPDHXFCSA-N 1 0 330.472 3.278 50 0 EGAARO Cc1c(Cl)cccc1NC(=O)CC[N@H+](CCO)Cc1ccccc1 ZINC000002765278 452720288 /nfs/dbraw/zinc/72/02/88/452720288.db2.gz HCVYPVGKIRYEMX-UHFFFAOYSA-N 1 0 346.858 3.472 50 0 EGAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000002860544 452730612 /nfs/dbraw/zinc/73/06/12/452730612.db2.gz NWIBNMZGCFLDHW-UHFFFAOYSA-N 1 0 339.794 3.149 50 0 EGAARO CC[NH+]1CCN(c2nc3ccccc3c(NCc3ccccc3)n2)CC1 ZINC000004829131 452819616 /nfs/dbraw/zinc/81/96/16/452819616.db2.gz SNYUEDDHNLETAT-UHFFFAOYSA-N 1 0 347.466 3.384 50 0 EGAARO CCC[NH+]1CCC(NC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000008130676 453165891 /nfs/dbraw/zinc/16/58/91/453165891.db2.gz WKYPTFYNBSAURE-UHFFFAOYSA-N 1 0 332.488 3.354 50 0 EGAARO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1 ZINC000008497968 453209326 /nfs/dbraw/zinc/20/93/26/453209326.db2.gz JAOWOAJNLZHFKK-ZDUSSCGKSA-N 1 0 335.831 3.398 50 0 EGAARO CSc1ccc(C[NH2+]Cc2cccnc2N2CCC[C@H](O)C2)cc1 ZINC000012756294 453397932 /nfs/dbraw/zinc/39/79/32/453397932.db2.gz OLIAYUQAFNEYAI-KRWDZBQOSA-N 1 0 343.496 3.054 50 0 EGAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CO)c(C)o2)c(C)c1C ZINC000015076671 453554474 /nfs/dbraw/zinc/55/44/74/453554474.db2.gz BMCXALOEFCCQKK-HNNXBMFYSA-N 1 0 330.428 3.232 50 0 EGAARO 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337.485 3.105 50 0 EGAARO CSc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1 ZINC000036385639 453927842 /nfs/dbraw/zinc/92/78/42/453927842.db2.gz CKFPJEAXCARGJQ-GOSISDBHSA-N 1 0 334.529 3.220 50 0 EGAARO Cc1ccc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c(F)c1 ZINC000077390938 454101239 /nfs/dbraw/zinc/10/12/39/454101239.db2.gz OAPLSJVAPNYXIP-KRWDZBQOSA-N 1 0 326.415 3.263 50 0 EGAARO c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077537364 454118830 /nfs/dbraw/zinc/11/88/30/454118830.db2.gz FEJWTBWMEAJYRN-MRXNPFEDSA-N 1 0 328.412 3.159 50 0 EGAARO CC(C)(C)OC(=O)N1CCC(n2c(C[NH3+])nc3ccccc32)CC1 ZINC000095099739 454195804 /nfs/dbraw/zinc/19/58/04/454195804.db2.gz OWKWWQODAREHPW-UHFFFAOYSA-N 1 0 330.432 3.067 50 0 EGAARO COc1cc(NC(=O)CC2CC[NH+](C)CC2)c(OC)cc1Cl ZINC000071375775 454205143 /nfs/dbraw/zinc/20/51/43/454205143.db2.gz OLBNYFNWSPYBOD-UHFFFAOYSA-N 1 0 326.824 3.028 50 0 EGAARO O=C(NCCC[NH+]1CCCC1)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000095500409 454221889 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ZINC000952872587 1334584619 /nfs/dbraw/zinc/58/46/19/1334584619.db2.gz RTGPASJSARJKCJ-INIZCTEOSA-N 1 0 327.428 3.323 50 0 EGAARO C[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000952963466 1334625506 /nfs/dbraw/zinc/62/55/06/1334625506.db2.gz IOQAZYUNIUMJSG-GOSISDBHSA-N 1 0 346.478 3.409 50 0 EGAARO COc1cccc(C)c1C(=O)NC[C@@H](c1sccc1C)[NH+](C)C ZINC000952962365 1334625683 /nfs/dbraw/zinc/62/56/83/1334625683.db2.gz ATZKTZHPCXDHAH-AWEZNQCLSA-N 1 0 332.469 3.406 50 0 EGAARO COCC1(C[NH2+]Cc2ccc3cc(NC(C)=O)ccc3n2)CCC1 ZINC000952974476 1334628726 /nfs/dbraw/zinc/62/87/26/1334628726.db2.gz MMBYFJRGMSFSJR-UHFFFAOYSA-N 1 0 327.428 3.100 50 0 EGAARO C[C@@]1(O)CCOC2(CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC001704314808 1416440238 /nfs/dbraw/zinc/44/02/38/1416440238.db2.gz TXBBLWLOSGOLRC-MRXNPFEDSA-N 1 0 327.827 3.375 50 0 EGAARO O[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1Cc1ccncc1 ZINC001704336199 1416448410 /nfs/dbraw/zinc/44/84/10/1416448410.db2.gz GPKNEKQZXMHNKE-WBVHZDCISA-N 1 0 336.357 3.136 50 0 EGAARO CC1(C)CC(CC(=O)N2CCC[C@]3(CCC[C@H]3O)C2)CC(C)(C)[NH2+]1 ZINC001704339763 1416449009 /nfs/dbraw/zinc/44/90/09/1416449009.db2.gz NYANTHRRXVJPRQ-OXQOHEQNSA-N 1 0 336.520 3.087 50 0 EGAARO O=C(NCC[C@H]1CCOC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC001704348955 1416452238 /nfs/dbraw/zinc/45/22/38/1416452238.db2.gz PHAVGANXAAWHKN-SFHVURJKSA-N 1 0 330.472 3.219 50 0 EGAARO CC[N@@H+]1CCCC[C@H]1CNc1nnc(CSc2ccncc2)o1 ZINC001772808107 1441417398 /nfs/dbraw/zinc/41/73/98/1441417398.db2.gz ZFTNAXKUQVRAOM-ZDUSSCGKSA-N 1 0 333.461 3.043 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1ccco1)Cc1ccc(OC)c(COC)c1 ZINC000055036215 214264885 /nfs/dbraw/zinc/26/48/85/214264885.db2.gz BEYPXMGFPZYXFR-KRWDZBQOSA-N 1 0 333.428 3.208 50 0 EGAARO CC[C@H](Nc1cccc(OC)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000055090372 214271812 /nfs/dbraw/zinc/27/18/12/214271812.db2.gz WDQDGBQUKHJVNR-KRWDZBQOSA-N 1 0 347.503 3.311 50 0 EGAARO Cc1ccc(CN(CC[NH+](C)C)Cc2cccc3c2OCO3)s1 ZINC000055119102 214276624 /nfs/dbraw/zinc/27/66/24/214276624.db2.gz VMNAYUOJYHOZFM-UHFFFAOYSA-N 1 0 332.469 3.349 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000055212076 214289438 /nfs/dbraw/zinc/28/94/38/214289438.db2.gz NIVZODQEBNWBBE-KRWDZBQOSA-N 1 0 325.412 3.238 50 0 EGAARO COc1cc2c(cc1C[N@H+](CCCO)Cc1ccc(C)s1)OCO2 ZINC000055269669 214297951 /nfs/dbraw/zinc/29/79/51/214297951.db2.gz RDVDOZAJLSWOQZ-UHFFFAOYSA-N 1 0 349.452 3.178 50 0 EGAARO Cc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)cc2)cc1 ZINC000055414178 214322531 /nfs/dbraw/zinc/32/25/31/214322531.db2.gz VJFOWVFDMUGMKN-HXUWFJFHSA-N 1 0 337.467 3.383 50 0 EGAARO C[C@@H]([NH2+]C[C@H](O)COCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000004279145 210160031 /nfs/dbraw/zinc/16/00/31/210160031.db2.gz XOPPGTZJWPEWAU-QAPCUYQASA-N 1 0 349.858 3.447 50 0 EGAARO C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000004279529 210159224 /nfs/dbraw/zinc/15/92/24/210159224.db2.gz VMQJVBWPVQEVIE-HNNXBMFYSA-N 1 0 342.277 3.453 50 0 EGAARO Cc1cccnc1C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000065371541 214877550 /nfs/dbraw/zinc/87/75/50/214877550.db2.gz IQTIKUWOQSFXIA-QGZVFWFLSA-N 1 0 337.467 3.215 50 0 EGAARO CC(C)n1cnc2c1cc(Cl)cc2C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000003995332 210097714 /nfs/dbraw/zinc/09/77/14/210097714.db2.gz OGXMGJGFLBSEJW-HNNXBMFYSA-N 1 0 346.862 3.095 50 0 in-vitro EGAARO CC(C)[N@@H+]1CCC[C@H](CCNC(=O)c2coc3c2C(=O)CCC3)C1 ZINC000067587348 215164562 /nfs/dbraw/zinc/16/45/62/215164562.db2.gz CRUSOMACKQCPRG-CQSZACIVSA-N 1 0 332.444 3.039 50 0 EGAARO Cc1[nH]c2ccc(Cl)cc2c1CCNc1ncnc2c1CC[NH2+]C2 ZINC000067675858 215181081 /nfs/dbraw/zinc/18/10/81/215181081.db2.gz XXVNWOUAEYEOGS-UHFFFAOYSA-N 1 0 341.846 3.220 50 0 EGAARO CCOc1ccccc1NC(=O)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067723518 215194702 /nfs/dbraw/zinc/19/47/02/215194702.db2.gz QHGQKWYKHLPFNP-UHFFFAOYSA-N 1 0 331.460 3.473 50 0 EGAARO COc1cc(C)c(-c2nc(C[NH+]3CCC(CO)CC3)c(C)o2)cc1C ZINC000067740116 215199278 /nfs/dbraw/zinc/19/92/78/215199278.db2.gz NDOGAWYRMFKZJF-UHFFFAOYSA-N 1 0 344.455 3.480 50 0 EGAARO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000067739785 215199744 /nfs/dbraw/zinc/19/97/44/215199744.db2.gz MFYPLLJEGLFEOR-QGZVFWFLSA-N 1 0 344.434 3.242 50 0 EGAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000067769701 215207870 /nfs/dbraw/zinc/20/78/70/215207870.db2.gz PSBAKBPKHKXPFU-ZDUSSCGKSA-N 1 0 333.819 3.001 50 0 EGAARO CC(C)CC[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104492189 219390380 /nfs/dbraw/zinc/39/03/80/219390380.db2.gz SPCPFVGAGWXOLS-GOSISDBHSA-N 1 0 330.472 3.348 50 0 EGAARO C[NH+](C)CCCNC(=O)c1cc2occc2n1Cc1ccc(F)cc1 ZINC000040283693 213288164 /nfs/dbraw/zinc/28/81/64/213288164.db2.gz CDLZBTBIENOMEY-UHFFFAOYSA-N 1 0 343.402 3.103 50 0 EGAARO CN1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813016 213050242 /nfs/dbraw/zinc/05/02/42/213050242.db2.gz DYXAUOVESIOYIU-QFIPXVFZSA-N 1 0 335.495 3.175 50 0 EGAARO COc1cccc([C@H]2C[N@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072139083 216026674 /nfs/dbraw/zinc/02/66/74/216026674.db2.gz MXNRZKJXSRSLHX-YPAWHYETSA-N 1 0 349.478 3.152 50 0 EGAARO CC/C=C/CC(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000072137354 216024875 /nfs/dbraw/zinc/02/48/75/216024875.db2.gz PNBCQGYKIJRHNT-YADGQWAMSA-N 1 0 341.499 3.498 50 0 EGAARO Fc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000072143529 216028972 /nfs/dbraw/zinc/02/89/72/216028972.db2.gz IIVGZEDTZBSXKY-LJQANCHMSA-N 1 0 326.419 3.108 50 0 EGAARO COc1cc(C)c(C[NH+]2CCC(c3cc(=O)[nH]c(C)n3)CC2)cc1C ZINC000072154025 216044589 /nfs/dbraw/zinc/04/45/89/216044589.db2.gz BCDGZTVONYDGDF-UHFFFAOYSA-N 1 0 341.455 3.496 50 0 EGAARO Cn1c2ccccc2nc1C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000072165925 216056403 /nfs/dbraw/zinc/05/64/03/216056403.db2.gz XQZSNZBPEGBKOX-UHFFFAOYSA-N 1 0 347.422 3.489 50 0 EGAARO COc1cc(F)c(CN(C)C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000072168358 216058791 /nfs/dbraw/zinc/05/87/91/216058791.db2.gz OAVNGFOSMVGMPT-HNNXBMFYSA-N 1 0 338.467 3.395 50 0 EGAARO COc1ccc(OCc2sc([C@@]3(O)CCC[NH2+]CC3)nc2C)cc1 ZINC000072343634 216159341 /nfs/dbraw/zinc/15/93/41/216159341.db2.gz WEMCWZSHFOESDJ-GOSISDBHSA-N 1 0 348.468 3.000 50 0 EGAARO CCC[N@@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cccc(C)c1)CC2 ZINC000072429798 216222054 /nfs/dbraw/zinc/22/20/54/216222054.db2.gz SEHGMMCBILQDTQ-SFHVURJKSA-N 1 0 330.472 3.146 50 0 EGAARO Cc1ccc(C(F)(F)F)cc1C[NH+]1CCC2(CC(=O)N(C)C2)CC1 ZINC000072432680 216227136 /nfs/dbraw/zinc/22/71/36/216227136.db2.gz ZDWDNOIWYSPXNQ-UHFFFAOYSA-N 1 0 340.389 3.458 50 0 EGAARO CCc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n2nccc2n1 ZINC000072475037 216252804 /nfs/dbraw/zinc/25/28/04/216252804.db2.gz FADOSDUNMLMQOE-INIZCTEOSA-N 1 0 327.407 3.146 50 0 EGAARO Cc1oc(-c2ccccc2)cc1-c1nc([C@@H]2CCC[NH2+]C2)cc(=O)[nH]1 ZINC000023542434 212381473 /nfs/dbraw/zinc/38/14/73/212381473.db2.gz GAWPUENNOJYADS-OAHLLOKOSA-N 1 0 335.407 3.472 50 0 EGAARO COc1cc(C)c(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1C ZINC000022919994 212334871 /nfs/dbraw/zinc/33/48/71/212334871.db2.gz ZLWAVTPYVYWVDE-IBGZPJMESA-N 1 0 348.531 3.227 50 0 EGAARO c1cn(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)cc2)cn1 ZINC000022780751 212324106 /nfs/dbraw/zinc/32/41/06/212324106.db2.gz IJKLJGKTNBYXSW-FQEVSTJZSA-N 1 0 332.451 3.236 50 0 EGAARO COc1cc(F)c(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000215766702 241145153 /nfs/dbraw/zinc/14/51/53/241145153.db2.gz UWUKUXAOAWFCGM-GOSISDBHSA-N 1 0 344.430 3.332 50 0 EGAARO CN(Cc1cnc(-c2ccco2)nc1)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000215809139 241147390 /nfs/dbraw/zinc/14/73/90/241147390.db2.gz FVQOAKSUVNCKCQ-UHFFFAOYSA-N 1 0 334.423 3.314 50 0 EGAARO C[N@H+](CCn1ccnc1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000216196492 241170288 /nfs/dbraw/zinc/17/02/88/241170288.db2.gz DPBCDTXCNZWHSY-UHFFFAOYSA-N 1 0 331.423 3.330 50 0 EGAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)[nH]1 ZINC000216352256 241185829 /nfs/dbraw/zinc/18/58/29/241185829.db2.gz CDWWWCQCSSNDIK-OAHLLOKOSA-N 1 0 326.444 3.206 50 0 EGAARO c1cn(CCC[NH+]2CCOCC2)nc1-c1cccc(-c2cccnc2)c1 ZINC000020878060 212181186 /nfs/dbraw/zinc/18/11/86/212181186.db2.gz GOBQQEDVRAOQTI-UHFFFAOYSA-N 1 0 348.450 3.334 50 0 EGAARO [NH3+][C@@H]1CCCN(C(=O)c2ccccc2OCCc2ccccc2)CC1 ZINC000243932066 243033290 /nfs/dbraw/zinc/03/32/90/243033290.db2.gz BSCOUNYTILROPD-GOSISDBHSA-N 1 0 338.451 3.262 50 0 EGAARO CCC[N@H+](Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCCC[C@H]1O ZINC000244690978 243057678 /nfs/dbraw/zinc/05/76/78/243057678.db2.gz JAILDXALVWDZQU-RTBURBONSA-N 1 0 328.456 3.054 50 0 EGAARO CCn1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000244735118 243071882 /nfs/dbraw/zinc/07/18/82/243071882.db2.gz NTDGHGXVQXGORO-MRXNPFEDSA-N 1 0 337.427 3.333 50 0 EGAARO COc1nc(C)cc(C)c1C[NH2+]C[C@]1(c2ccc(F)cc2)CCOC1 ZINC000020560668 212147719 /nfs/dbraw/zinc/14/77/19/212147719.db2.gz KXFHFLJMUBKQNS-HXUWFJFHSA-N 1 0 344.430 3.294 50 0 EGAARO NC(=O)c1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2ccccn2)cc1 ZINC000252481559 243769924 /nfs/dbraw/zinc/76/99/24/243769924.db2.gz COBUDGNWBWSZRD-LJQANCHMSA-N 1 0 339.439 3.177 50 0 EGAARO C[NH+](C)CC[C@@H]1CN(Cc2ccccc2OC2CCCC2)CCO1 ZINC000020453541 212131114 /nfs/dbraw/zinc/13/11/14/212131114.db2.gz CGCBPVBVFRXMON-LJQANCHMSA-N 1 0 332.488 3.161 50 0 EGAARO CC[NH+]1CCN(CCOCCSc2ccc(Cl)cc2)CC1 ZINC000020406327 212125299 /nfs/dbraw/zinc/12/52/99/212125299.db2.gz QXIZHQFCQXACBC-UHFFFAOYSA-N 1 0 328.909 3.086 50 0 EGAARO COc1ccc(CN2CC[NH+](CC3CCCC3)CC2)c(OC)c1OC ZINC000020201296 212111203 /nfs/dbraw/zinc/11/12/03/212111203.db2.gz SUZMKPRFNGKCQL-UHFFFAOYSA-N 1 0 348.487 3.020 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c(OC)c1OC ZINC000020109546 212102403 /nfs/dbraw/zinc/10/24/03/212102403.db2.gz ONOFBWYTZFCIRJ-CQSZACIVSA-N 1 0 345.443 3.124 50 0 EGAARO COc1ccccc1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019782001 212066410 /nfs/dbraw/zinc/06/64/10/212066410.db2.gz BIVHXLHJYYVUFG-UHFFFAOYSA-N 1 0 335.451 3.494 50 0 EGAARO CCn1cc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)cn1 ZINC000019739591 212060270 /nfs/dbraw/zinc/06/02/70/212060270.db2.gz OIJBNFBAOJMNJL-HXUWFJFHSA-N 1 0 326.488 3.042 50 0 EGAARO COc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c(OC)c1 ZINC000019359677 212021220 /nfs/dbraw/zinc/02/12/20/212021220.db2.gz GUMCDMNOKLVUES-KRWDZBQOSA-N 1 0 330.472 3.178 50 0 EGAARO COc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1OC ZINC000019359669 212020860 /nfs/dbraw/zinc/02/08/60/212020860.db2.gz GMYDXKKARVEPSV-FUHWJXTLSA-N 1 0 332.488 3.400 50 0 EGAARO O=C(CCC1CC[NH+](C2CCSCC2)CC1)NCc1cccnc1 ZINC000012314653 211344634 /nfs/dbraw/zinc/34/46/34/211344634.db2.gz PUALZOFWOMJFTM-UHFFFAOYSA-N 1 0 347.528 3.086 50 0 EGAARO CC[NH+]1CCC(C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000012301309 211337102 /nfs/dbraw/zinc/33/71/02/211337102.db2.gz HFUHOBVDKZTSMJ-UHFFFAOYSA-N 1 0 326.444 3.160 50 0 EGAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CO)c(C)o2)cc1C ZINC000012072878 211286983 /nfs/dbraw/zinc/28/69/83/211286983.db2.gz UWWZSUNUZHATSQ-INIZCTEOSA-N 1 0 330.428 3.314 50 0 EGAARO CCCc1nc(C(=O)N[C@@H]2c3ccccc3C[C@H]2[NH+](C)C)cs1 ZINC000091417063 218002997 /nfs/dbraw/zinc/00/29/97/218002997.db2.gz AJGDDHSMOPOYFB-NVXWUHKLSA-N 1 0 329.469 3.053 50 0 EGAARO CC(=O)N[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1c1ccc(C)o1 ZINC000091617051 218032349 /nfs/dbraw/zinc/03/23/49/218032349.db2.gz BELAENOWXRPMTL-SJLPKXTDSA-N 1 0 335.407 3.245 50 0 EGAARO O=C(CC[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1)NC1CC1 ZINC000011874625 211263505 /nfs/dbraw/zinc/26/35/05/211263505.db2.gz WFSIJGSAUMTTKH-CQSZACIVSA-N 1 0 347.528 3.293 50 0 EGAARO COCC[C@]1(O)CC[N@H+](Cc2cccc3c(C)c(C)[nH]c32)C[C@H]1C ZINC000091518993 218017105 /nfs/dbraw/zinc/01/71/05/218017105.db2.gz USRFLTVMFWWIFR-JLTOFOAXSA-N 1 0 330.472 3.394 50 0 EGAARO O=C(Cc1ccc(F)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091574172 218023404 /nfs/dbraw/zinc/02/34/04/218023404.db2.gz VIMXFCUEUSGEKM-IEBWSBKVSA-N 1 0 330.447 3.091 50 0 EGAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000011818434 211252703 /nfs/dbraw/zinc/25/27/03/211252703.db2.gz QIVSSLREARTGIA-MRXNPFEDSA-N 1 0 341.455 3.447 50 0 EGAARO CN1CC2(CC[NH+](Cc3ccccn3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091693722 218048966 /nfs/dbraw/zinc/04/89/66/218048966.db2.gz YREDDXOMPINMKF-FQEVSTJZSA-N 1 0 349.478 3.310 50 0 EGAARO Cc1c[nH+]ccc1NCCNC(=O)c1c[nH]nc1C1CCCCC1 ZINC000091725189 218054776 /nfs/dbraw/zinc/05/47/76/218054776.db2.gz QRTGISGTNQTHJE-UHFFFAOYSA-N 1 0 327.432 3.003 50 0 EGAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000091907138 218087046 /nfs/dbraw/zinc/08/70/46/218087046.db2.gz OYSKRYDLOSKLLK-MRXNPFEDSA-N 1 0 346.862 3.221 50 0 EGAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CCCF)CC2 ZINC000092099844 218120109 /nfs/dbraw/zinc/12/01/09/218120109.db2.gz ZDPHILSKTDVNDG-UHFFFAOYSA-N 1 0 340.389 3.139 50 0 EGAARO Cc1nn(CCO)c(C)c1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000093003657 218185154 /nfs/dbraw/zinc/18/51/54/218185154.db2.gz GSJDCAAOGHJVGC-IBGZPJMESA-N 1 0 327.472 3.262 50 0 EGAARO Brc1ccnc(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000095080919 218274851 /nfs/dbraw/zinc/27/48/51/218274851.db2.gz CQHBNFWCURSQNL-UHFFFAOYSA-N 1 0 332.245 3.166 50 0 EGAARO CCOC[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095358153 218292208 /nfs/dbraw/zinc/29/22/08/218292208.db2.gz LVTWRMPJZKAUKG-LJQANCHMSA-N 1 0 330.472 3.314 50 0 EGAARO O=C(NC[C@H](O)c1ccc(F)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095367239 218300131 /nfs/dbraw/zinc/30/01/31/218300131.db2.gz IFYJGIVRCYOWHT-IBGZPJMESA-N 1 0 348.462 3.020 50 0 EGAARO FC(F)(F)c1ccc(N2CCC([NH2+][C@@H]3CCSC3)CC2)nc1 ZINC000095365601 218298159 /nfs/dbraw/zinc/29/81/59/218298159.db2.gz LWAPIXQARTVBDG-CYBMUJFWSA-N 1 0 331.407 3.164 50 0 EGAARO Cc1noc(C)c1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095369744 218302168 /nfs/dbraw/zinc/30/21/68/218302168.db2.gz HYDIPGHPQDOFJX-FUHWJXTLSA-N 1 0 333.476 3.295 50 0 EGAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000095373212 218305600 /nfs/dbraw/zinc/30/56/00/218305600.db2.gz NQCXEPFDXCZMRO-INIZCTEOSA-N 1 0 348.462 3.318 50 0 EGAARO Cc1ccc2ncccc2c1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095390540 218322366 /nfs/dbraw/zinc/32/23/66/218322366.db2.gz BSYHCAHOKNQFFX-MRXNPFEDSA-N 1 0 325.456 3.424 50 0 EGAARO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1OC ZINC000005067857 210381098 /nfs/dbraw/zinc/38/10/98/210381098.db2.gz XQRUAQPJPDZNAL-RDJZCZTQSA-N 1 0 346.471 3.040 50 0 EGAARO O[C@@H](COc1ccccc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004993558 210353038 /nfs/dbraw/zinc/35/30/38/210353038.db2.gz IRCVGKKVEJXPLO-HXUWFJFHSA-N 1 0 325.452 3.381 50 0 EGAARO CC(C)[NH+](CCn1cnc2c3cc(F)ccc3[nH]c2c1=O)C(C)C ZINC000004862971 210304614 /nfs/dbraw/zinc/30/46/14/210304614.db2.gz DJBFNAHFCFNUFG-UHFFFAOYSA-N 1 0 330.407 3.136 50 0 EGAARO COc1cc(-c2ccc(C[NH+]3CCCC3)cn2)cc(OC)c1OC ZINC000097413354 219023191 /nfs/dbraw/zinc/02/31/91/219023191.db2.gz OYDFCIWUMDXILC-UHFFFAOYSA-N 1 0 328.412 3.370 50 0 EGAARO COCCN(Cc1ccncc1)C(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000097446934 219025695 /nfs/dbraw/zinc/02/56/95/219025695.db2.gz PRIRYXVVSMAOGQ-UHFFFAOYSA-N 1 0 347.503 3.004 50 0 EGAARO C[C@@H](c1ccc(C(=O)NCC2(O)CCCCC2)o1)[NH+]1CCCCC1 ZINC000097602271 219040153 /nfs/dbraw/zinc/04/01/53/219040153.db2.gz KLJTWPNOEKHMEJ-HNNXBMFYSA-N 1 0 334.460 3.252 50 0 EGAARO C[C@@H](CCC(=O)N(C)Cc1ccc2ccccc2n1)[NH+]1CCCC1 ZINC000426386910 257970328 /nfs/dbraw/zinc/97/03/28/257970328.db2.gz OAOVZZQLFCSBAM-INIZCTEOSA-N 1 0 325.456 3.458 50 0 EGAARO Cc1ccc(F)cc1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC000299771134 258083300 /nfs/dbraw/zinc/08/33/00/258083300.db2.gz STZWUTNUTYWAID-LJQANCHMSA-N 1 0 341.430 3.200 50 0 EGAARO O=C(NCCSC1CCCCC1)c1ccc(Cn2ccnc2)o1 ZINC000299786261 258093152 /nfs/dbraw/zinc/09/31/52/258093152.db2.gz PUXRPGPYARHLNL-UHFFFAOYSA-N 1 0 333.457 3.320 50 0 EGAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CCC(F)(F)F)C1 ZINC000299786541 258093599 /nfs/dbraw/zinc/09/35/99/258093599.db2.gz NBFBGDOKVHEREU-AWEZNQCLSA-N 1 0 328.378 3.276 50 0 EGAARO C[C@H](CC[N@H+]1CCC(=O)N(Cc2ccncc2)CC1)c1ccccc1 ZINC000299799191 258102823 /nfs/dbraw/zinc/10/28/23/258102823.db2.gz VQIBJCXXCUPTKD-GOSISDBHSA-N 1 0 337.467 3.310 50 0 EGAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(/C=C/c3ccccn3)cc2)C1 ZINC000299802435 258105732 /nfs/dbraw/zinc/10/57/32/258105732.db2.gz MANYWASVCGXBSO-AIADIJKESA-N 1 0 336.439 3.420 50 0 EGAARO O=C(NCCc1cccc(Cl)c1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000096165229 258067736 /nfs/dbraw/zinc/06/77/36/258067736.db2.gz DCHVFNICPSIFCQ-LBPRGKRZSA-N 1 0 327.255 3.042 50 0 EGAARO CCC[C@H](C)n1nccc1NC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000299760162 258077240 /nfs/dbraw/zinc/07/72/40/258077240.db2.gz HOBIYKLJIDHWIN-HNNXBMFYSA-N 1 0 333.480 3.194 50 0 EGAARO CCn1ccc2c1cccc2C[N@@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000299762580 258079660 /nfs/dbraw/zinc/07/96/60/258079660.db2.gz NVPJHEPEPPTVGF-LSTHTHJFSA-N 1 0 328.456 3.166 50 0 EGAARO COc1cccc(N2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000055154107 132194368 /nfs/dbraw/zinc/19/43/68/132194368.db2.gz XCLBPGNMUDWWEF-GHTZIAJQSA-N 1 0 343.515 3.082 50 0 EGAARO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC000077355647 292173437 /nfs/dbraw/zinc/17/34/37/292173437.db2.gz BBSBJLITIGVFLV-OAHLLOKOSA-N 1 0 342.530 3.086 50 0 EGAARO O=C([C@@H]1CCCO1)N1CCC[N@H+](Cc2cc3ccccc3s2)CC1 ZINC000372434623 157330406 /nfs/dbraw/zinc/33/04/06/157330406.db2.gz DGKDSPOQCPQKLB-KRWDZBQOSA-N 1 0 344.480 3.115 50 0 EGAARO CCc1cccc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000195520960 266187172 /nfs/dbraw/zinc/18/71/72/266187172.db2.gz NPIAMLAEJYNPGL-KRWDZBQOSA-N 1 0 340.471 3.045 50 0 EGAARO c1cc(-c2noc3c2C[N@@H+](C2CCSCC2)CC3)cc2c1OCO2 ZINC000012385530 275064072 /nfs/dbraw/zinc/06/40/72/275064072.db2.gz KOCPECQKLHCSBY-UHFFFAOYSA-N 1 0 344.436 3.324 50 0 EGAARO CC[N@H+](Cc1ccccc1OCCn1ccnc1)[C@@H]1CCCC[C@H]1O ZINC000215519219 279240982 /nfs/dbraw/zinc/24/09/82/279240982.db2.gz SFYANBBBBHZDIW-RTBURBONSA-N 1 0 343.471 3.088 50 0 EGAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000010017933 280921956 /nfs/dbraw/zinc/92/19/56/280921956.db2.gz HMMWXMPDRSQTRK-IBGZPJMESA-N 1 0 326.440 3.101 50 0 EGAARO CC[N@H+](CCSc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000244858635 455276970 /nfs/dbraw/zinc/27/69/70/455276970.db2.gz VPBATMAHDSBHIY-UHFFFAOYSA-N 1 0 339.464 3.309 50 0 EGAARO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000470146 452602773 /nfs/dbraw/zinc/60/27/73/452602773.db2.gz YVKIJVJLWRKWNB-UHFFFAOYSA-N 1 0 341.430 3.285 50 0 EGAARO CCOC(=O)c1cnc2c(C)c(C)ccc2c1NCCC[NH+](C)C ZINC000001916107 452681770 /nfs/dbraw/zinc/68/17/70/452681770.db2.gz LMUYWIWNNMDOGM-UHFFFAOYSA-N 1 0 329.444 3.392 50 0 EGAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1 ZINC000006517632 452948532 /nfs/dbraw/zinc/94/85/32/452948532.db2.gz FFDDJZLCGPDAPN-MDZDMXLPSA-N 1 0 325.412 3.073 50 0 EGAARO COc1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCCCC2)cc1 ZINC000006638405 452962548 /nfs/dbraw/zinc/96/25/48/452962548.db2.gz MOYBXWQGYPIVPR-KRWDZBQOSA-N 1 0 328.412 3.245 50 0 EGAARO Clc1cccc(C[NH2+]CCSc2nnnn2-c2ccccc2)c1 ZINC000006663249 452965290 /nfs/dbraw/zinc/96/52/90/452965290.db2.gz SJWMHJJYHMFEPZ-UHFFFAOYSA-N 1 0 345.859 3.198 50 0 EGAARO CCOC(=O)C1CC[NH+](CCOc2ccc(Cl)c(C)c2)CC1 ZINC000006703116 452974466 /nfs/dbraw/zinc/97/44/66/452974466.db2.gz RENHNAFOWCKDRV-UHFFFAOYSA-N 1 0 325.836 3.302 50 0 EGAARO CCc1ccc(C[NH+]2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)o1 ZINC000012581622 453379463 /nfs/dbraw/zinc/37/94/63/453379463.db2.gz BJKHNIJBVQLKDE-GOSISDBHSA-N 1 0 348.487 3.129 50 0 EGAARO O=C(CCc1ccccc1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012718854 453394991 /nfs/dbraw/zinc/39/49/91/453394991.db2.gz DZTCVSZKTZCFBR-OAQYLSRUSA-N 1 0 336.479 3.443 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000013691545 453482090 /nfs/dbraw/zinc/48/20/90/453482090.db2.gz ZAUBURQLZARCIU-OAHLLOKOSA-N 1 0 347.459 3.472 50 0 EGAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CCCC3)nc2)C1 ZINC000014977476 453549559 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Ic1ccc(COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042773914 454025021 /nfs/dbraw/zinc/02/50/21/454025021.db2.gz PTXSECUETGHSEK-CQSZACIVSA-N 1 0 345.224 3.340 50 0 EGAARO Ic1ccc(COCCC2CC[NH2+]CC2)cc1 ZINC000042773899 454025250 /nfs/dbraw/zinc/02/52/50/454025250.db2.gz INKYHFAGDAJITQ-UHFFFAOYSA-N 1 0 345.224 3.198 50 0 EGAARO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc2cc(F)ccc2n1C ZINC000077287840 454086665 /nfs/dbraw/zinc/08/66/65/454086665.db2.gz AIQMGPWVZLMJOB-KRWDZBQOSA-N 1 0 331.435 3.198 50 0 EGAARO Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)[nH]n1 ZINC000077357738 454097112 /nfs/dbraw/zinc/09/71/12/454097112.db2.gz QTFFVCQWQKXTGM-SFHVURJKSA-N 1 0 326.444 3.147 50 0 EGAARO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077387884 454100928 /nfs/dbraw/zinc/10/09/28/454100928.db2.gz LAFJTAWDMAQAPJ-SFHVURJKSA-N 1 0 341.455 3.237 50 0 EGAARO c1[nH]nc(C2CCCCC2)c1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077408431 454102214 /nfs/dbraw/zinc/10/22/14/454102214.db2.gz HQMYCIBIDZZEKE-IBGZPJMESA-N 1 0 346.519 3.144 50 0 EGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cnc2ccccc2c1 ZINC000077406212 454102573 /nfs/dbraw/zinc/10/25/73/454102573.db2.gz ZQFORHOLQZYZSY-FQEVSTJZSA-N 1 0 345.446 3.364 50 0 EGAARO C[C@H](C1CCN(c2ccc3ccccc3n2)CC1)[NH+]1CCOCC1 ZINC000077564249 454124325 /nfs/dbraw/zinc/12/43/25/454124325.db2.gz GJEQGIHEHQTWJQ-MRXNPFEDSA-N 1 0 325.456 3.172 50 0 EGAARO CN(C)C(=O)COc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071765065 454216874 /nfs/dbraw/zinc/21/68/74/454216874.db2.gz KRYPIXKOYALEOI-JVPGXQPFSA-N 1 0 342.483 3.022 50 0 EGAARO CCCCn1ccnc1C1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000095502029 454221970 /nfs/dbraw/zinc/22/19/70/454221970.db2.gz OVNRLAISHIFFGT-UHFFFAOYSA-N 1 0 346.519 3.265 50 0 EGAARO CSCc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)o1 ZINC000095502362 454222626 /nfs/dbraw/zinc/22/26/26/454222626.db2.gz MYQAFAQRFASVFG-HUUCEWRRSA-N 1 0 334.485 3.089 50 0 EGAARO Cc1nc2c(c(NCC[C@@H]3CCC[N@H+]3C)n1)Cc1ccccc1OC2 ZINC000095521376 454226733 /nfs/dbraw/zinc/22/67/33/454226733.db2.gz NTQIXLYSIAEZBX-INIZCTEOSA-N 1 0 338.455 3.164 50 0 EGAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc2ccn(C)c2c1 ZINC000095523812 454227674 /nfs/dbraw/zinc/22/76/74/454227674.db2.gz PGDFGCJFRSYAGX-MRXNPFEDSA-N 1 0 347.462 3.355 50 0 EGAARO C[NH+]1CCC(Cc2nc([C@H]3CCOC3)n(C3CCCCC3)n2)CC1 ZINC000095525483 454227856 /nfs/dbraw/zinc/22/78/56/454227856.db2.gz OHFIKBOHDIQEEC-INIZCTEOSA-N 1 0 332.492 3.172 50 0 EGAARO CCc1nc(C)sc1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000072127385 454272981 /nfs/dbraw/zinc/27/29/81/454272981.db2.gz OFJARVOGKSPAGH-OAHLLOKOSA-N 1 0 335.517 3.381 50 0 EGAARO CC(=O)N[C@H](C)c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000096167139 454297157 /nfs/dbraw/zinc/29/71/57/454297157.db2.gz MGTAKXLCJNFLLG-MRXNPFEDSA-N 1 0 338.451 3.383 50 0 EGAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000097199589 454422263 /nfs/dbraw/zinc/42/22/63/454422263.db2.gz GGNKQENOQFXWRJ-IBGZPJMESA-N 1 0 348.450 3.270 50 0 EGAARO Cc1cccc(-c2n[nH]cc2C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)c1 ZINC000097217563 454426141 /nfs/dbraw/zinc/42/61/41/454426141.db2.gz SYKDDGNJBFDFFA-OAHLLOKOSA-N 1 0 338.455 3.084 50 0 EGAARO O=C(c1ccncc1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091321904 454427222 /nfs/dbraw/zinc/42/72/22/454427222.db2.gz ORLXPUMTFSNWMH-PZJWPPBQSA-N 1 0 349.478 3.251 50 0 EGAARO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)cc1 ZINC000065372872 454555039 /nfs/dbraw/zinc/55/50/39/454555039.db2.gz VNVKEMZLCMYBRA-QZTJIDSGSA-N 1 0 344.480 3.365 50 0 EGAARO C[C@H](COc1ccccc1)[NH2+]C1CCN(c2ccc(Cl)nn2)CC1 ZINC000065395953 454559294 /nfs/dbraw/zinc/55/92/94/454559294.db2.gz XLKPYYDVUOFIJO-CQSZACIVSA-N 1 0 346.862 3.156 50 0 EGAARO O=C(CCC1CCCC1)NCC1=CCC[N@H+](Cc2ccccn2)C1 ZINC000065398641 454560009 /nfs/dbraw/zinc/56/00/09/454560009.db2.gz SBTRLJIDUKNTPO-UHFFFAOYSA-N 1 0 327.472 3.300 50 0 EGAARO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC2CCCC2)c2cccnc12 ZINC000065423099 454564174 /nfs/dbraw/zinc/56/41/74/454564174.db2.gz ADWPXHUVEHIWHD-AWEZNQCLSA-N 1 0 341.455 3.123 50 0 EGAARO COc1ccc(CN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000065441859 454568442 /nfs/dbraw/zinc/56/84/42/454568442.db2.gz PUWBMZWBDDLNBK-QGZVFWFLSA-N 1 0 345.487 3.100 50 0 EGAARO Cc1sc2nc(CC[NH3+])nc(N(C)CCC[C@H]3CCCO3)c2c1C ZINC000065456392 454570051 /nfs/dbraw/zinc/57/00/51/454570051.db2.gz KVONKUBGPNZMSA-AWEZNQCLSA-N 1 0 348.516 3.205 50 0 EGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCC(=O)Nc2cc(C)ccc2C)n1 ZINC000065507330 454579480 /nfs/dbraw/zinc/57/94/80/454579480.db2.gz FSIKCGYTUHUSDT-MRXNPFEDSA-N 1 0 328.460 3.124 50 0 EGAARO CN(CCC1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000137021962 454765840 /nfs/dbraw/zinc/76/58/40/454765840.db2.gz GHNZYCHEBFYZPR-HXUWFJFHSA-N 1 0 344.499 3.316 50 0 EGAARO Cc1ccc(C)n1CCCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253405739 455840540 /nfs/dbraw/zinc/84/05/40/455840540.db2.gz IKUBPLMDDADSFG-RBUKOAKNSA-N 1 0 331.504 3.266 50 0 biogenic EGAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cn1ccc2ccccc21 ZINC000253412287 455841511 /nfs/dbraw/zinc/84/15/11/455841511.db2.gz QMOSOWODSNSOFV-AZUAARDMSA-N 1 0 339.483 3.364 50 0 biogenic EGAARO Cc1ccc2nc(SCCC(=O)N3CCC([NH3+])CC3)cc(C)c2c1 ZINC000223065127 456053830 /nfs/dbraw/zinc/05/38/30/456053830.db2.gz ITAJZQDJXQYBKC-UHFFFAOYSA-N 1 0 343.496 3.284 50 0 EGAARO O=C(NCCC12CCC[NH+]1CCC2)c1ccc(C(F)(F)F)cc1 ZINC000223612110 456058561 /nfs/dbraw/zinc/05/85/61/456058561.db2.gz BLWYHPKVWAPZQV-UHFFFAOYSA-N 1 0 326.362 3.454 50 0 EGAARO Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)nc(C)n1 ZINC000347524487 457485306 /nfs/dbraw/zinc/48/53/06/457485306.db2.gz WCLYPZPJRONDLY-UHFFFAOYSA-N 1 0 330.476 3.012 50 0 EGAARO C[C@@H]1CN(C(=O)c2cccc(-c3ccc(C(=O)C4CC4)cc3)c2)CC[NH2+]1 ZINC000426386949 457819116 /nfs/dbraw/zinc/81/91/16/457819116.db2.gz SXKJZGHFVYPVLX-OAHLLOKOSA-N 1 0 348.446 3.380 50 0 EGAARO CN(C(=O)c1cc(F)ccc1OCC[NH3+])[C@@H]1CCCc2ccccc21 ZINC000426404367 457823282 /nfs/dbraw/zinc/82/32/82/457823282.db2.gz RUIDZIUGIKLHMG-GOSISDBHSA-N 1 0 342.414 3.313 50 0 EGAARO CCOc1ccc(CN(C(=O)NC[C@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000426433657 457830047 /nfs/dbraw/zinc/83/00/47/457830047.db2.gz MTTDSFUOBMKMQP-GOSISDBHSA-N 1 0 345.487 3.244 50 0 EGAARO CC(C)[N@@H+]1CCCC[C@H]1CCNC(=O)N1CCOc2ccccc2C1 ZINC000426433652 457830680 /nfs/dbraw/zinc/83/06/80/457830680.db2.gz MAORYKMRCGQXEW-SFHVURJKSA-N 1 0 345.487 3.244 50 0 EGAARO C[C@@H](c1ccc(-c2ccc(NS(C)(=O)=O)nc2)cc1)[NH+]1CCCC1 ZINC000426441892 457831208 /nfs/dbraw/zinc/83/12/08/457831208.db2.gz MONIGWQHMDNYEK-AWEZNQCLSA-N 1 0 345.468 3.277 50 0 EGAARO CO[C@]12CC[N@H+](CCCSC)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426597226 457860175 /nfs/dbraw/zinc/86/01/75/457860175.db2.gz MRMYJZUPLYVFMF-XYJFISCASA-N 1 0 336.501 3.226 50 0 EGAARO CCN(CC[NH+]1CCCC1)C(=O)NCc1ccccc1C(F)(F)F ZINC000426599775 457860775 /nfs/dbraw/zinc/86/07/75/457860775.db2.gz RJLTXPLLMSBRML-UHFFFAOYSA-N 1 0 343.393 3.333 50 0 EGAARO Cc1cc(CN(C)C(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)ccn1 ZINC000534582509 459336023 /nfs/dbraw/zinc/33/60/23/459336023.db2.gz LSMRCUIIYNTSAB-IBGZPJMESA-N 1 0 340.471 3.143 50 0 EGAARO C[C@H](c1ccc(-c2ccc(S(N)(=O)=O)s2)cc1)[NH+]1CCCC1 ZINC000534634349 459338725 /nfs/dbraw/zinc/33/87/25/459338725.db2.gz YZWZIYKZLKLYCP-GFCCVEGCSA-N 1 0 336.482 3.219 50 0 EGAARO CC(C)c1ccc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)nn1 ZINC000534642947 459341118 /nfs/dbraw/zinc/34/11/18/459341118.db2.gz AHQXJQTWSJNHRM-UHFFFAOYSA-N 1 0 338.455 3.093 50 0 EGAARO CCOC1CC[NH+](Cc2cnc(NCc3ccccc3)nc2)CC1 ZINC000216241082 535399184 /nfs/dbraw/zinc/39/91/84/535399184.db2.gz PBNYBTVZJAGYTL-UHFFFAOYSA-N 1 0 326.444 3.090 50 0 EGAARO Cc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)c2cc(Cl)ccc2n1 ZINC000215989744 547238645 /nfs/dbraw/zinc/23/86/45/547238645.db2.gz HMNLMNSFIYRVAP-QGZVFWFLSA-N 1 0 329.831 3.021 50 0 EGAARO COc1ccc(OC[C@H]2CCCN(Cc3nnc(C)s3)C2)cc1 ZINC000670450640 548216774 /nfs/dbraw/zinc/21/67/74/548216774.db2.gz BWCGDERWWXFVDH-AWEZNQCLSA-N 1 0 333.457 3.146 50 0 EGAARO Fc1ccc(Cn2ncnc2[C@H]2CCCN(c3ccccn3)C2)cc1 ZINC000670450252 548217166 /nfs/dbraw/zinc/21/71/66/548217166.db2.gz SIUJMIFHEOUKES-INIZCTEOSA-N 1 0 337.402 3.245 50 0 EGAARO c1csc(C[N@@H+]2CCCN([C@@H]3COc4ccccc4C3)CC2)c1 ZINC000039489945 1291404562 /nfs/dbraw/zinc/40/45/62/1291404562.db2.gz MHOMHNFZFAZBAX-KRWDZBQOSA-N 1 0 328.481 3.260 50 0 EGAARO C[C@@H](NC(=O)C[NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000059758392 1291915509 /nfs/dbraw/zinc/91/55/09/1291915509.db2.gz XKEWTINPVWXAKZ-OQNUJHGRSA-N 1 0 326.484 3.497 50 0 EGAARO CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H]([NH3+])C2CCCCCC2)C1 ZINC000958528029 1317798712 /nfs/dbraw/zinc/79/87/12/1317798712.db2.gz MOWBQMCLWZRCKK-YJBOKZPZSA-N 1 0 326.481 3.046 50 0 EGAARO CC[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000952872845 1334584384 /nfs/dbraw/zinc/58/43/84/1334584384.db2.gz QGXDKFQLJCYGIP-HNNXBMFYSA-N 1 0 345.487 3.274 50 0 EGAARO CC(C)[C@H]([NH3+])c1nc(COc2cccc(F)c2)nn1-c1ccncc1 ZINC000952872133 1334584531 /nfs/dbraw/zinc/58/45/31/1334584531.db2.gz KMOIDDGFXSGTKQ-KRWDZBQOSA-N 1 0 341.390 3.036 50 0 EGAARO COc1ccc(-n2cccn2)c(C[NH2+]CC2(N(C)C)CCCCC2)c1 ZINC000952962277 1334625557 /nfs/dbraw/zinc/62/55/57/1334625557.db2.gz BQHLSBFILJEUQV-UHFFFAOYSA-N 1 0 342.487 3.235 50 0 EGAARO COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[N@H+](C)C3)cn2)c1 ZINC000952966965 1334626600 /nfs/dbraw/zinc/62/66/00/1334626600.db2.gz XUMGKXGAAKHBFT-CQSZACIVSA-N 1 0 341.411 3.163 50 0 EGAARO COc1ccc2cc(C[NH2+]Cc3cncn3CC(C)C)c(=O)[nH]c2c1 ZINC000952970711 1334627568 /nfs/dbraw/zinc/62/75/68/1334627568.db2.gz LOKXZBRHGILIJY-UHFFFAOYSA-N 1 0 340.427 3.091 50 0 EGAARO O[C@@H]1CCC[C@]12CCC[N@@H+](C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001704333661 1416447123 /nfs/dbraw/zinc/44/71/23/1416447123.db2.gz CADULRHPGXXYNQ-WOJBJXKFSA-N 1 0 332.463 3.422 50 0 EGAARO CN(C(=O)C[N@H+](C)C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC001704354113 1416453550 /nfs/dbraw/zinc/45/35/50/1416453550.db2.gz SJDLXYAWYKUXRL-GOSISDBHSA-N 1 0 337.467 3.108 50 0 EGAARO O=C(NCCc1nccs1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC001704355617 1416454298 /nfs/dbraw/zinc/45/42/98/1416454298.db2.gz UFNYMOJMGLHYFZ-UHFFFAOYSA-N 1 0 343.496 3.492 50 0 EGAARO Cc1ccc(-c2ccc(C[N@@H+]3C[C@@H]4COCC[C@]4(CO)C3)o2)cc1 ZINC001772708633 1441417130 /nfs/dbraw/zinc/41/71/30/1441417130.db2.gz DGJIBEKJXVCQMT-YLJYHZDGSA-N 1 0 327.424 3.086 50 0 EGAARO Cc1ccc2cc(C[N@@H+]3C[C@@H]4C[C@]4(C)C3)c(N3CCOCC3)nc2c1 ZINC001772804768 1441417419 /nfs/dbraw/zinc/41/74/19/1441417419.db2.gz UDSFFZBCHMOEDR-GHTZIAJQSA-N 1 0 337.467 3.222 50 0 EGAARO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2ccn(C)c(=O)c2)CC1 ZINC001772817353 1441417697 /nfs/dbraw/zinc/41/76/97/1441417697.db2.gz CKSIJXNLQBCATL-UHFFFAOYSA-N 1 0 342.487 3.159 50 0 EGAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cnc2c(c1)CCCC2 ZINC000097657378 219045388 /nfs/dbraw/zinc/04/53/88/219045388.db2.gz XOJYLWWKZAXGGA-IBGZPJMESA-N 1 0 349.478 3.180 50 0 EGAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCOC)Cc1ccccc1Cl ZINC000097698605 219049288 /nfs/dbraw/zinc/04/92/88/219049288.db2.gz PSSUFDSGDKPYQD-QGZVFWFLSA-N 1 0 338.879 3.189 50 0 EGAARO COc1ccc(-c2n[nH]cc2CNC2CC[NH+](C(C)C)CC2)cc1 ZINC000053946051 214208164 /nfs/dbraw/zinc/20/81/64/214208164.db2.gz LIDVPOLQPUZSJF-UHFFFAOYSA-N 1 0 328.460 3.048 50 0 EGAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)n1 ZINC000097742794 219052343 /nfs/dbraw/zinc/05/23/43/219052343.db2.gz XSRDEUJCSWVGOY-AWEZNQCLSA-N 1 0 327.457 3.399 50 0 EGAARO COc1ccc(CN(CC[NH+](C)C)Cc2ccccc2C)cc1O ZINC000055226838 214292816 /nfs/dbraw/zinc/29/28/16/214292816.db2.gz ZASOFNGDTZTBRP-UHFFFAOYSA-N 1 0 328.456 3.273 50 0 EGAARO Cc1nsc(NC(=O)NC2(C[NH+]3CCCCC3)CCCCC2)n1 ZINC000055568842 214330808 /nfs/dbraw/zinc/33/08/08/214330808.db2.gz AKDRHSJTBQDBNH-UHFFFAOYSA-N 1 0 337.493 3.157 50 0 EGAARO O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000097823342 219059090 /nfs/dbraw/zinc/05/90/90/219059090.db2.gz QEOPXVPAMZADQX-OAQYLSRUSA-N 1 0 348.450 3.213 50 0 EGAARO CCc1ccc(C[NH+]2CCC(C(=O)NCc3ccco3)CC2)cc1 ZINC000004602581 210230598 /nfs/dbraw/zinc/23/05/98/210230598.db2.gz SXHDNXXKCKMWTH-UHFFFAOYSA-N 1 0 326.440 3.370 50 0 EGAARO COc1ccccc1-c1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000065385302 214883693 /nfs/dbraw/zinc/88/36/93/214883693.db2.gz WUBKGFDCGHIHAD-MSOLQXFVSA-N 1 0 336.435 3.329 50 0 EGAARO NC(=[NH2+])Sc1cn(CCNC(=O)c2cccs2)c2ccccc12 ZINC000003866105 210081027 /nfs/dbraw/zinc/08/10/27/210081027.db2.gz QLVAJWKFRXCZSO-UHFFFAOYSA-N 1 0 344.465 3.118 50 0 EGAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000003109927 209964884 /nfs/dbraw/zinc/96/48/84/209964884.db2.gz OXCGXXXRSQRTRD-UHFFFAOYSA-N 1 0 346.452 3.499 50 0 EGAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2csc(C(C)C)n2)n1 ZINC000067688469 215184183 /nfs/dbraw/zinc/18/41/83/215184183.db2.gz KIAAOAXDGQBKNE-AWEZNQCLSA-N 1 0 345.516 3.468 50 0 EGAARO Cc1ccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000067847351 215230029 /nfs/dbraw/zinc/23/00/29/215230029.db2.gz CSDLOVCMCZAXLU-KRWDZBQOSA-N 1 0 345.487 3.398 50 0 EGAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cnccc2C)C1 ZINC000067868168 215234626 /nfs/dbraw/zinc/23/46/26/215234626.db2.gz ZOVCASTZSZELGG-SFHVURJKSA-N 1 0 337.467 3.340 50 0 EGAARO Cc1ccc(-c2cc(O)c3c(c2)CN(CC[NH+](C)C)CCO3)s1 ZINC000067909438 215248987 /nfs/dbraw/zinc/24/89/87/215248987.db2.gz DGXLXGCJISKUSH-UHFFFAOYSA-N 1 0 332.469 3.185 50 0 EGAARO Cc1noc(C)c1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000067934833 215253349 /nfs/dbraw/zinc/25/33/49/215253349.db2.gz HNKCCBZBBWGOQF-CQSZACIVSA-N 1 0 346.406 3.074 50 0 EGAARO Cc1nc(C[NH2+][C@@H](C)COc2ccc3ccc(=O)oc3c2)cs1 ZINC000067982172 215267544 /nfs/dbraw/zinc/26/75/44/215267544.db2.gz GQSSPTBVLJWYLD-NSHDSACASA-N 1 0 330.409 3.115 50 0 EGAARO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCCCC1 ZINC000000520496 209644803 /nfs/dbraw/zinc/64/48/03/209644803.db2.gz GUDTZWYQKDHHMP-UHFFFAOYSA-N 1 0 343.427 3.159 50 0 EGAARO C[NH+](C)CCNC(=O)c1cc2occc2n1Cc1ccccc1Cl ZINC000035475371 213031106 /nfs/dbraw/zinc/03/11/06/213031106.db2.gz OOQZWTZYMZMUSO-UHFFFAOYSA-N 1 0 345.830 3.227 50 0 EGAARO CC(C)[NH2+][C@@H]1CC[C@@H]1NC(=O)c1ccccc1OC(F)(F)C(F)F ZINC000072119548 216014103 /nfs/dbraw/zinc/01/41/03/216014103.db2.gz HRIDZBAFFUFYLI-NEPJUHHUSA-N 1 0 348.340 3.182 50 0 EGAARO CN(C)C(=O)CC[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000072125637 216016146 /nfs/dbraw/zinc/01/61/46/216016146.db2.gz XRKFGLCRMUHCKI-OAHLLOKOSA-N 1 0 345.462 3.398 50 0 EGAARO c1ccc(CCCc2noc(-c3ccc(N[C@@H]4CC[NH2+]C4)nc3)n2)cc1 ZINC000072137317 216025185 /nfs/dbraw/zinc/02/51/85/216025185.db2.gz QJILEVNTTGLRCM-QGZVFWFLSA-N 1 0 349.438 3.081 50 0 EGAARO CCc1ccc2nc(C)cc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000072140316 216025577 /nfs/dbraw/zinc/02/55/77/216025577.db2.gz RYLRKKHDXMNRNO-QGZVFWFLSA-N 1 0 337.467 3.416 50 0 EGAARO COc1ccccc1CNC(=O)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072143562 216029155 /nfs/dbraw/zinc/02/91/55/216029155.db2.gz CKLSTRSIFBIIKT-KRWDZBQOSA-N 1 0 338.451 3.167 50 0 EGAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1=O ZINC000072144094 216030354 /nfs/dbraw/zinc/03/03/54/216030354.db2.gz DSTJDPZQRISFQK-CYBMUJFWSA-N 1 0 349.381 3.151 50 0 EGAARO CCc1ccc2occ(CC(=O)N3CCC[C@H]([NH+](C)C)CC3)c2c1 ZINC000072148395 216034763 /nfs/dbraw/zinc/03/47/63/216034763.db2.gz JSXCCHOYQBLVHF-KRWDZBQOSA-N 1 0 328.456 3.480 50 0 EGAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cnn(C)c2C2CC2)CC1 ZINC000072167318 216056898 /nfs/dbraw/zinc/05/68/98/216056898.db2.gz VTTIARUHHFCVGW-UHFFFAOYSA-N 1 0 337.467 3.420 50 0 EGAARO OCc1ccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)c(CO)c1 ZINC000072167051 216057368 /nfs/dbraw/zinc/05/73/68/216057368.db2.gz NRWUQLIUMUREQQ-IBGZPJMESA-N 1 0 341.451 3.119 50 0 EGAARO CCC[N@@H+]1CCC[C@]2(CO)CN(Cc3cc(F)ccc3F)CC[C@@H]12 ZINC000072168949 216060732 /nfs/dbraw/zinc/06/07/32/216060732.db2.gz LLAKTLTUQLVGNI-RTBURBONSA-N 1 0 338.442 3.024 50 0 EGAARO COC(=O)c1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000000408972 209573086 /nfs/dbraw/zinc/57/30/86/209573086.db2.gz YWPBFSRTTRMIGR-UHFFFAOYSA-N 1 0 333.411 3.224 50 0 EGAARO CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)CC[NH2+]C2 ZINC000072418152 216205885 /nfs/dbraw/zinc/20/58/85/216205885.db2.gz TUZHHFXRMVEDAX-UHFFFAOYSA-N 1 0 347.418 3.260 50 0 EGAARO CC(C)(O)CCc1cccc(C(=O)NCCC23CCC[NH+]2CCC3)c1 ZINC000072412515 216205512 /nfs/dbraw/zinc/20/55/12/216205512.db2.gz LWQYZKLNCKZGMV-UHFFFAOYSA-N 1 0 344.499 3.138 50 0 EGAARO Cc1cccc(C[NH+]2CCC(c3cc(N4CCCC4)ncn3)CC2)n1 ZINC000072435556 216230554 /nfs/dbraw/zinc/23/05/54/216230554.db2.gz XMRVOTNDMNGTQL-UHFFFAOYSA-N 1 0 337.471 3.160 50 0 EGAARO Cc1nn2c(nc(C)cc2NC[C@H]2Cc3ccccc3C[N@H+]2C)c1C ZINC000072438495 216232154 /nfs/dbraw/zinc/23/21/54/216232154.db2.gz XOYYBHOGLVLHJI-GOSISDBHSA-N 1 0 335.455 3.123 50 0 EGAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc(C)cc2C)n1 ZINC000072437054 216232220 /nfs/dbraw/zinc/23/22/20/216232220.db2.gz RLGPALIBSGSYRX-UHFFFAOYSA-N 1 0 342.447 3.067 50 0 EGAARO COc1cccc([C@H]2C[N@H+](Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072476716 216253716 /nfs/dbraw/zinc/25/37/16/216253716.db2.gz NTKFXVPPDVYXND-YPAWHYETSA-N 1 0 349.478 3.152 50 0 EGAARO CC(=O)c1cccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c1 ZINC000022932670 212336038 /nfs/dbraw/zinc/33/60/38/212336038.db2.gz XXORDKCJFKHMQI-NRFANRHFSA-N 1 0 344.499 3.091 50 0 EGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)cc1 ZINC000022853632 212329926 /nfs/dbraw/zinc/32/99/26/212329926.db2.gz CGVFSQGUKGBCGP-HXUWFJFHSA-N 1 0 342.458 3.203 50 0 EGAARO COC[C@H](c1ccccn1)[N@H+](C)Cc1ccccc1Cn1cccn1 ZINC000215070421 241104373 /nfs/dbraw/zinc/10/43/73/241104373.db2.gz PQESONYWUYFEOX-HXUWFJFHSA-N 1 0 336.439 3.146 50 0 EGAARO CCc1nc(CN(C)Cc2cc(C[NH+]3CCCCC3)cs2)no1 ZINC000215291434 241117333 /nfs/dbraw/zinc/11/73/33/241117333.db2.gz IMQWRFHXSKJJJJ-UHFFFAOYSA-N 1 0 334.489 3.311 50 0 EGAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000216161030 241172682 /nfs/dbraw/zinc/17/26/82/241172682.db2.gz JYAHZPYVQGRMPO-UHFFFAOYSA-N 1 0 327.428 3.026 50 0 EGAARO c1cnn(Cc2ccc(CN3CCCC[C@@H]3C[NH+]3CCCC3)cc2)c1 ZINC000215570395 241135021 /nfs/dbraw/zinc/13/50/21/241135021.db2.gz XXQXERPZJRMMIF-OAQYLSRUSA-N 1 0 338.499 3.382 50 0 EGAARO Cc1nc([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)no1 ZINC000215658941 241137813 /nfs/dbraw/zinc/13/78/13/241137813.db2.gz VQNXIVAGCZGGIG-CQSZACIVSA-N 1 0 341.390 3.287 50 0 EGAARO COc1cccc(CCNc2cc(C3CC([NH3+])C3)nc(C3CC3)n2)c1 ZINC000219368163 241383194 /nfs/dbraw/zinc/38/31/94/241383194.db2.gz XZBSTSAPLTVRKX-UHFFFAOYSA-N 1 0 338.455 3.222 50 0 EGAARO O=C(CSc1ccncc1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000219555904 241396265 /nfs/dbraw/zinc/39/62/65/241396265.db2.gz YHNNKCJCWVVDRP-UHFFFAOYSA-N 1 0 333.501 3.041 50 0 EGAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccccc4C)nc3c12 ZINC000021801831 212252047 /nfs/dbraw/zinc/25/20/47/212252047.db2.gz LSBSAZKZRFTYAW-UHFFFAOYSA-N 1 0 348.454 3.233 50 0 EGAARO CCc1ccccc1NC(=O)CCN1CC[NH+](C2CCCC2)CC1 ZINC000244828478 243088873 /nfs/dbraw/zinc/08/88/73/243088873.db2.gz 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[NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2)N1 ZINC000004005396 295210191 /nfs/dbraw/zinc/21/01/91/295210191.db2.gz LPJKSXRZVOZSHE-ZDUSSCGKSA-N 1 0 342.200 3.086 50 0 EGAARO COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)cc1 ZINC000016916649 295233091 /nfs/dbraw/zinc/23/30/91/295233091.db2.gz WZCJQZIMDKRICW-NRFANRHFSA-N 1 0 337.443 3.346 50 0 EGAARO CCC1=NO[C@@H](C[NH+]2CCC(COc3ccc(OC)cc3)CC2)C1 ZINC000244734411 455277228 /nfs/dbraw/zinc/27/72/28/455277228.db2.gz NFBITSLIKJDAHI-LJQANCHMSA-N 1 0 332.444 3.341 50 0 EGAARO CCOc1ccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000000140030 452517103 /nfs/dbraw/zinc/51/71/03/452517103.db2.gz HOLPZWWASQLEHI-HXUWFJFHSA-N 1 0 343.423 3.346 50 0 EGAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000000360091 452572265 /nfs/dbraw/zinc/57/22/65/452572265.db2.gz ZBEMVZJXHJHPNY-UHFFFAOYSA-N 1 0 332.469 3.331 50 0 EGAARO C[C@H](Nc1nc(N2CC[NH2+]CC2)nc2ccccc21)c1ccccc1 ZINC000000568533 452624121 /nfs/dbraw/zinc/62/41/21/452624121.db2.gz 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ZINC000015069880 453554561 /nfs/dbraw/zinc/55/45/61/453554561.db2.gz RGHYNUISMUSWHG-INIZCTEOSA-N 1 0 329.444 3.183 50 0 EGAARO Cc1cccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000015860027 453587381 /nfs/dbraw/zinc/58/73/81/453587381.db2.gz IRPDTQYTZGSCQE-GOSISDBHSA-N 1 0 342.439 3.310 50 0 EGAARO COc1cccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000015860217 453587641 /nfs/dbraw/zinc/58/76/41/453587641.db2.gz WCZCRFSXYRQEHT-QGZVFWFLSA-N 1 0 328.412 3.164 50 0 EGAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000015860215 453587890 /nfs/dbraw/zinc/58/78/90/453587890.db2.gz BKUJWQOBODDWLD-QGZVFWFLSA-N 1 0 328.412 3.164 50 0 EGAARO S=C(NC[C@@H]1CCCO1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000017068682 453628176 /nfs/dbraw/zinc/62/81/76/453628176.db2.gz QGTIRFVNYQSXGS-KRWDZBQOSA-N 1 0 333.501 3.138 50 0 EGAARO Fc1cccc([C@@]2(CN3CCC([NH+]4CCCC4)CC3)CCOC2)c1 ZINC000019227360 453654852 /nfs/dbraw/zinc/65/48/52/453654852.db2.gz ISJCJNUFDJTTKK-HXUWFJFHSA-N 1 0 332.463 3.044 50 0 EGAARO OCC[C@@H]1C[N@@H+](C2CCCCCC2)CCN1Cc1ccccc1F ZINC000020515976 453666406 /nfs/dbraw/zinc/66/64/06/453666406.db2.gz VTSJRMDBFVTSHM-LJQANCHMSA-N 1 0 334.479 3.417 50 0 EGAARO Clc1cccc(N2CCN([C@H]3CCC[N@H+](CC4CC4)C3)CC2)c1 ZINC000020779690 453668108 /nfs/dbraw/zinc/66/81/08/453668108.db2.gz UQUWGQIADNGZHP-IBGZPJMESA-N 1 0 333.907 3.336 50 0 EGAARO COc1ccc([C@@H]2C[C@H](O)[C@@H](C)[C@@H](c3ccc(OC)cc3)[NH2+]2)cc1 ZINC000022079160 453686742 /nfs/dbraw/zinc/68/67/42/453686742.db2.gz GTAOASWLKOJDQI-UOWJPWOOSA-N 1 0 327.424 3.477 50 0 EGAARO COc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027584158 453819211 /nfs/dbraw/zinc/81/92/11/453819211.db2.gz UZIXXBUXYDHRPT-HNNXBMFYSA-N 1 0 330.453 3.324 50 0 EGAARO Cc1ccc(-c2cc(C(=O)NCC[NH+](C(C)C)C(C)C)[nH]n2)cc1 ZINC000032238861 453865337 /nfs/dbraw/zinc/86/53/37/453865337.db2.gz DKGHVCQIYABWJY-UHFFFAOYSA-N 1 0 328.460 3.234 50 0 EGAARO Cc1ccc2c(c1)ncn(CC[C@@H]1CCC[N@@H+]3CCCC[C@H]13)c2=O ZINC000032577770 453878210 /nfs/dbraw/zinc/87/82/10/453878210.db2.gz STOZPZVHFWMARF-QFBILLFUSA-N 1 0 325.456 3.360 50 0 EGAARO CNc1nc(N2CCc3onc(-c4cccc(F)c4)c3C2)cc(C)[nH+]1 ZINC000067878211 453976114 /nfs/dbraw/zinc/97/61/14/453976114.db2.gz OCRDJHYZOHROKT-UHFFFAOYSA-N 1 0 339.374 3.184 50 0 EGAARO O=C1CCCC[C@H]2[NH2+]CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000077010736 454060438 /nfs/dbraw/zinc/06/04/38/454060438.db2.gz HWZMDLMPKIIKOB-CABCVRRESA-N 1 0 326.362 3.339 50 0 EGAARO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489185 454111943 /nfs/dbraw/zinc/11/19/43/454111943.db2.gz CCBZCCJFZOZWQR-INIZCTEOSA-N 1 0 329.492 3.428 50 0 EGAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077565928 454124001 /nfs/dbraw/zinc/12/40/01/454124001.db2.gz XNYPDBAFTRFTQU-QGZVFWFLSA-N 1 0 347.466 3.357 50 0 EGAARO COCc1cccc(C[NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)c1 ZINC000058392537 454197323 /nfs/dbraw/zinc/19/73/23/454197323.db2.gz NDFHCMJBMSARAY-UHFFFAOYSA-N 1 0 330.476 3.046 50 0 EGAARO COCc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)o1 ZINC000071404060 454206538 /nfs/dbraw/zinc/20/65/38/454206538.db2.gz GFLQZNAKDRAPAH-QGZVFWFLSA-N 1 0 334.460 3.009 50 0 EGAARO CCc1oc(C(=O)N2CCC3(CCCO3)CC2)cc1C[NH+]1CCCC1 ZINC000071747094 454211191 /nfs/dbraw/zinc/21/11/91/454211191.db2.gz KNRWOBZJUXTZBQ-UHFFFAOYSA-N 1 0 346.471 3.223 50 0 EGAARO CCOc1ncccc1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071750577 454212645 /nfs/dbraw/zinc/21/26/45/454212645.db2.gz XVFKOFONLWJEBT-SFHVURJKSA-N 1 0 345.487 3.063 50 0 EGAARO CC(C)(C)[NH2+]C[C@H](O)Cc1nc2ccccc2n1Cc1ccccc1 ZINC000071767421 454216706 /nfs/dbraw/zinc/21/67/06/454216706.db2.gz HRUYZKQIVARJOL-QGZVFWFLSA-N 1 0 337.467 3.376 50 0 EGAARO C[NH+](C)CCCn1ccnc1C1CCN(c2ccc(Cl)cn2)CC1 ZINC000095531152 454228914 /nfs/dbraw/zinc/22/89/14/454228914.db2.gz DOIIIRZCNIKQFU-UHFFFAOYSA-N 1 0 347.894 3.267 50 0 EGAARO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000095644384 454231940 /nfs/dbraw/zinc/23/19/40/454231940.db2.gz JLJAXRIYIAUFOG-UHFFFAOYSA-N 1 0 334.338 3.200 50 0 EGAARO O=C(Cc1csc(-c2ccccc2)n1)NCC[NH+]1CCCCCC1 ZINC000071884578 454242952 /nfs/dbraw/zinc/24/29/52/454242952.db2.gz XTCAETHSYRJXCF-UHFFFAOYSA-N 1 0 343.496 3.345 50 0 EGAARO COCc1ccccc1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000060355049 454280542 /nfs/dbraw/zinc/28/05/42/454280542.db2.gz KYOKXMCKWGVXKF-GOSISDBHSA-N 1 0 342.439 3.301 50 0 EGAARO c1ccc([C@@H]2CC[N@@H+](CCNc3nccc(-c4ccccn4)n3)C2)cc1 ZINC000096149886 454292906 /nfs/dbraw/zinc/29/29/06/454292906.db2.gz KCTZJQUTSJMWIR-GOSISDBHSA-N 1 0 345.450 3.440 50 0 EGAARO OCc1ccccc1-c1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000096162353 454295885 /nfs/dbraw/zinc/29/58/85/454295885.db2.gz PUYYWMSJFNONBW-GOSISDBHSA-N 1 0 341.451 3.072 50 0 EGAARO Cc1nn(C)c2nc(NC3CC[NH+](Cc4cccs4)CC3)sc12 ZINC000096165347 454297250 /nfs/dbraw/zinc/29/72/50/454297250.db2.gz HUHLYWCCUDSRMO-UHFFFAOYSA-N 1 0 347.513 3.476 50 0 EGAARO Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c2cccnc12 ZINC000090443174 454305274 /nfs/dbraw/zinc/30/52/74/454305274.db2.gz KVSFNSYWZHJDIE-UHFFFAOYSA-N 1 0 333.435 3.258 50 0 EGAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)CC2 ZINC000097199357 454421801 /nfs/dbraw/zinc/42/18/01/454421801.db2.gz DEVHMAOFCZECPX-IBGZPJMESA-N 1 0 348.450 3.270 50 0 EGAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](Cc2ccc(CO)cc2)C1 ZINC000091288712 454423144 /nfs/dbraw/zinc/42/31/44/454423144.db2.gz QBDIKQQXUIRGHD-MRXNPFEDSA-N 1 0 347.890 3.193 50 0 EGAARO COc1ccc2c(C)c(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)oc2c1 ZINC000091321397 454427038 /nfs/dbraw/zinc/42/70/38/454427038.db2.gz KLCMNEKPDXADGB-CYBMUJFWSA-N 1 0 342.439 3.449 50 0 EGAARO Cc1cc(C)c(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000063799086 454449216 /nfs/dbraw/zinc/44/92/16/454449216.db2.gz BENQRZIOWMADEO-UHFFFAOYSA-N 1 0 338.455 3.039 50 0 EGAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1O ZINC000065370054 454555326 /nfs/dbraw/zinc/55/53/26/454555326.db2.gz MXXLTQQKEMQXLQ-IAGOWNOFSA-N 1 0 329.465 3.342 50 0 EGAARO CC(=O)N1CCCC[C@H]1C1=CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000065408075 454561859 /nfs/dbraw/zinc/56/18/59/454561859.db2.gz UTCPXQPQCGEPEY-FQEVSTJZSA-N 1 0 346.446 3.238 50 0 EGAARO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000245232088 455280920 /nfs/dbraw/zinc/28/09/20/455280920.db2.gz PLOYJZJBKMLKKY-BFYDXBDKSA-N 1 0 348.487 3.171 50 0 EGAARO C[C@@H]1C[N@H+](C)CCCN1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216018584 456027998 /nfs/dbraw/zinc/02/79/98/456027998.db2.gz VYFTVEPUCKPCCI-CQSZACIVSA-N 1 0 330.863 3.323 50 0 EGAARO CC(C)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cccc1 ZINC000263586536 456178451 /nfs/dbraw/zinc/17/84/51/456178451.db2.gz VKUHXLUINSRURY-IPMKNSEASA-N 1 0 331.504 3.456 50 0 biogenic EGAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCC2)CN1Cc1ccccc1 ZINC000299763744 456778971 /nfs/dbraw/zinc/77/89/71/456778971.db2.gz QQHYTCDHBFERKH-PMACEKPBSA-N 1 0 343.515 3.078 50 0 EGAARO [NH3+]CCOc1ccc(F)cc1C(=O)NCc1csc2c1CCCC2 ZINC000426373848 457814093 /nfs/dbraw/zinc/81/40/93/457814093.db2.gz QSMQSIDPKSUOOD-UHFFFAOYSA-N 1 0 348.443 3.034 50 0 EGAARO Cc1cnccc1-c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1 ZINC000426405091 457823055 /nfs/dbraw/zinc/82/30/55/457823055.db2.gz FSDKRPYMZQEYPR-RBUKOAKNSA-N 1 0 335.451 3.366 50 0 EGAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)NC(c3ccccc3)c3ccccc3)C[C@H]12 ZINC000426425476 457828439 /nfs/dbraw/zinc/82/84/39/457828439.db2.gz QWBFKICSFDSCGT-OWZKRDHZSA-N 1 0 349.478 3.225 50 0 EGAARO O=C(NCC[C@H]1CCCC[NH2+]1)NCc1cccc(C(F)(F)F)c1F ZINC000426489321 457840725 /nfs/dbraw/zinc/84/07/25/457840725.db2.gz FVWGYFWLTOCOKE-GFCCVEGCSA-N 1 0 347.356 3.176 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cccc(OCC(C)C)c3)[C@H]1C[C@H](O)CC2 ZINC000426486056 457840844 /nfs/dbraw/zinc/84/08/44/457840844.db2.gz SWKCYUVIPYGZTR-YZGWKJHDSA-N 1 0 333.472 3.226 50 0 EGAARO Cc1nc([C@H]2CCOC2)cc(N2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000426490757 457842214 /nfs/dbraw/zinc/84/22/14/457842214.db2.gz UEUGVBXDWBLNHH-KRWDZBQOSA-N 1 0 344.503 3.134 50 0 EGAARO COc1ccccc1-c1cc(C[NH2+][C@@H](C)Cn2nc(C)cc2C)on1 ZINC000534629836 459339481 /nfs/dbraw/zinc/33/94/81/459339481.db2.gz DMVHXIPBXRTFAC-AWEZNQCLSA-N 1 0 340.427 3.342 50 0 EGAARO CCOC(=O)N1CC[C@@H]([NH2+]CCCc2nc3ccccc3s2)C1 ZINC000534649909 459341575 /nfs/dbraw/zinc/34/15/75/459341575.db2.gz QBAAAEHAVCLSNG-CYBMUJFWSA-N 1 0 333.457 3.049 50 0 EGAARO C[C@@H](CCNC(=O)N(Cc1nccs1)Cc1ccccc1)[NH+](C)C ZINC000534676956 459345456 /nfs/dbraw/zinc/34/54/56/459345456.db2.gz OCQUXRXYFQATBY-HNNXBMFYSA-N 1 0 346.500 3.195 50 0 EGAARO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC3(CC2)OCCO3)s1 ZINC000585136910 459828734 /nfs/dbraw/zinc/82/87/34/459828734.db2.gz YKVQSLKZKYWXGE-UHFFFAOYSA-N 1 0 339.457 3.042 50 0 EGAARO COc1ccccc1NC(=O)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575617819 459986969 /nfs/dbraw/zinc/98/69/69/459986969.db2.gz RKTFPZCXGCVDHK-UHFFFAOYSA-N 1 0 349.500 3.130 50 0 EGAARO CN(Cc1ccc2ncccc2c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000670468797 548220291 /nfs/dbraw/zinc/22/02/91/548220291.db2.gz FNEBGGLITBODOY-UHFFFAOYSA-N 1 0 340.471 3.252 50 0 EGAARO CCc1oc(C(=O)N[C@@H](CC)c2nc(C)c[nH]2)cc1C[NH+]1CCCC1 ZINC000670470018 548220405 /nfs/dbraw/zinc/22/04/05/548220405.db2.gz ROVCRFLIVPDXDX-HNNXBMFYSA-N 1 0 344.459 3.350 50 0 EGAARO COc1ncc(CN2CCC([C@H]3CC[N@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012587566 1291132768 /nfs/dbraw/zinc/13/27/68/1291132768.db2.gz AKOHVNPJCMNJOO-SFHVURJKSA-N 1 0 346.519 3.065 50 0 EGAARO Cc1nccn1CCC1CC[NH+](CCn2cnc3ccccc32)CC1 ZINC000019720325 1291193395 /nfs/dbraw/zinc/19/33/95/1291193395.db2.gz SBKRLQMTKFZNCL-UHFFFAOYSA-N 1 0 337.471 3.344 50 0 EGAARO CC(C)[C@@H]1CN(Cc2c[nH]cn2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071762373 1292268979 /nfs/dbraw/zinc/26/89/79/1292268979.db2.gz VCXLHRROLIVYFU-IBGZPJMESA-N 1 0 330.451 3.281 50 0 EGAARO COCCCN(Cc1ccc(C)cc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000824389852 1320253228 /nfs/dbraw/zinc/25/32/28/1320253228.db2.gz JCPZGXDIUDKJGV-UHFFFAOYSA-N 1 0 346.515 3.481 50 0 EGAARO COc1ccc([C@@H](C)N(C)C(=O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000824573038 1320265755 /nfs/dbraw/zinc/26/57/55/1320265755.db2.gz GBOFNTKFGYWQEP-OAHLLOKOSA-N 1 0 334.460 3.099 50 0 EGAARO Fc1cccc(-n2cc(C[NH2+][C@H]3CCN(c4ccccc4)C3)cn2)c1 ZINC000826621231 1320391683 /nfs/dbraw/zinc/39/16/83/1320391683.db2.gz TYJYXURBUGSCSQ-SFHVURJKSA-N 1 0 336.414 3.380 50 0 EGAARO Cc1ccsc1C[N@@H+]1CCC[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC000826630303 1320392123 /nfs/dbraw/zinc/39/21/23/1320392123.db2.gz KSWYXSLTNQHHTQ-CQSZACIVSA-N 1 0 347.459 3.233 50 0 EGAARO O=C(CN1Cc2ccccc2C1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952860013 1334583134 /nfs/dbraw/zinc/58/31/34/1334583134.db2.gz NJTSRZQJUMHNRO-UHFFFAOYSA-N 1 0 335.451 3.237 50 0 EGAARO C[C@H]1CCC(=O)N1c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000952868788 1334584076 /nfs/dbraw/zinc/58/40/76/1334584076.db2.gz AUEIOKHUNFRWAY-HNNXBMFYSA-N 1 0 329.444 3.016 50 0 EGAARO COCCC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(OC)cc1 ZINC000952869269 1334584102 /nfs/dbraw/zinc/58/41/02/1334584102.db2.gz NYPSUNWSEQLVEF-UHFFFAOYSA-N 1 0 331.460 3.084 50 0 EGAARO CC(C)Cn1cncc1CNCc1nn(C)c2cccc(Cl)c12 ZINC000952966269 1334626350 /nfs/dbraw/zinc/62/63/50/1334626350.db2.gz UUYHQJYQKLZGNV-UHFFFAOYSA-N 1 0 331.851 3.369 50 0 EGAARO Cc1ccccc1-c1cccc(C[NH2+]CCN2CCC[C@H](CO)C2)c1 ZINC000952967845 1334626869 /nfs/dbraw/zinc/62/68/69/1334626869.db2.gz MKWDUKHCQPKFHF-FQEVSTJZSA-N 1 0 338.495 3.456 50 0 EGAARO CC[N@@H+]1CCC[C@@H](CNCc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952969758 1334626928 /nfs/dbraw/zinc/62/69/28/1334626928.db2.gz NAGKZFMIZRNWBC-ZDUSSCGKSA-N 1 0 333.863 3.415 50 0 EGAARO CCOc1ccc2[nH]c(=O)c(C[NH2+][C@@H](CC)Cn3ccnc3)cc2c1 ZINC000952972299 1334627587 /nfs/dbraw/zinc/62/75/87/1334627587.db2.gz ZRMDYFMAJKFUCK-INIZCTEOSA-N 1 0 340.427 3.104 50 0 EGAARO O=C(c1ccc(-c2ccccc2Cl)o1)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000952979450 1334629159 /nfs/dbraw/zinc/62/91/59/1334629159.db2.gz OEILWOATAXIKMD-SDSIWUNFSA-N 1 0 342.826 3.422 50 0 EGAARO CC[C@H](C(=O)N(C)CCOc1ccc(C)cc1Cl)[N@H+](C)CC ZINC000952987717 1334631225 /nfs/dbraw/zinc/63/12/25/1334631225.db2.gz GGIWEXSAFQKDKN-OAHLLOKOSA-N 1 0 326.868 3.216 50 0 EGAARO CO[C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1Cc1cc(C)no1 ZINC001704297486 1416432907 /nfs/dbraw/zinc/43/29/07/1416432907.db2.gz ARWAEOOVWNKOEW-BEFAXECRSA-N 1 0 348.418 3.081 50 0 EGAARO O=C(c1c[nH]c2ccccc12)N1CCC[N@@H+](CC[C@@H]2CC2(F)F)CC1 ZINC001772707930 1441417206 /nfs/dbraw/zinc/41/72/06/1441417206.db2.gz YJGBGSUTJLVUCL-CQSZACIVSA-N 1 0 347.409 3.361 50 0 EGAARO COc1cccc(C[NH+]2CCC(c3cc[nH]c(=O)c3)CC2)c1OC ZINC001772710651 1441417256 /nfs/dbraw/zinc/41/72/56/1441417256.db2.gz CUKFXMUYZGGJBW-UHFFFAOYSA-N 1 0 328.412 3.184 50 0 EGAARO CCC[N@@H+]1C[C@@H]2CN(c3cnccn3)C[C@]2(CCc2ccccc2)C1 ZINC001772806180 1441417390 /nfs/dbraw/zinc/41/73/90/1441417390.db2.gz VHMNLVDVYMDDJV-CTNGQTDRSA-N 1 0 336.483 3.258 50 0 EGAARO CO[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)o1)c1cccs1 ZINC000097756406 219055068 /nfs/dbraw/zinc/05/50/68/219055068.db2.gz WYWMVADNHWMZKR-HNNXBMFYSA-N 1 0 334.441 3.054 50 0 EGAARO Cc1ccc([C@@H](C)[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)cn1 ZINC000055385914 214315036 /nfs/dbraw/zinc/31/50/36/214315036.db2.gz XKAFXKHAENVGLX-OAHLLOKOSA-N 1 0 336.439 3.071 50 0 EGAARO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000067446690 215147527 /nfs/dbraw/zinc/14/75/27/215147527.db2.gz RSUUYCYAVBYNSJ-OAHLLOKOSA-N 1 0 330.378 3.217 50 0 EGAARO COc1ccc(-c2ccc(C(=O)N(C)C[C@]3(C)CC[N@H+](C)C3)o2)cc1 ZINC000067514808 215157468 /nfs/dbraw/zinc/15/74/68/215157468.db2.gz PTSHAQFSIHGUPA-HXUWFJFHSA-N 1 0 342.439 3.369 50 0 EGAARO C[C@@H](C1=CCC[N@H+](Cc2ccncc2)C1)N(C)C(=O)c1cccs1 ZINC000067643318 215171953 /nfs/dbraw/zinc/17/19/53/215171953.db2.gz PXJOQNOIUNPGDP-HNNXBMFYSA-N 1 0 341.480 3.436 50 0 EGAARO C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCCC2(C)C)no1 ZINC000067676272 215182775 /nfs/dbraw/zinc/18/27/75/215182775.db2.gz BZEDMYLBUSHMLF-UHFFFAOYSA-N 1 0 341.455 3.364 50 0 EGAARO O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000067739783 215198806 /nfs/dbraw/zinc/19/88/06/215198806.db2.gz MFYPLLJEGLFEOR-KRWDZBQOSA-N 1 0 344.434 3.242 50 0 EGAARO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cccc(C)c3)C2)nc1 ZINC000067856297 215233155 /nfs/dbraw/zinc/23/31/55/215233155.db2.gz FYMZNPKURWOVKQ-GOSISDBHSA-N 1 0 337.467 3.204 50 0 EGAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)c2cccc(O)c2C)C1 ZINC000067872756 215237567 /nfs/dbraw/zinc/23/75/67/215237567.db2.gz GWKSLVXAKNQQIX-QGZVFWFLSA-N 1 0 338.451 3.261 50 0 EGAARO CC(C)=CC[N@@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000104481535 219389177 /nfs/dbraw/zinc/38/91/77/219389177.db2.gz HKZBLWIFCZADHE-LJQANCHMSA-N 1 0 327.472 3.003 50 0 EGAARO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000069347946 215381364 /nfs/dbraw/zinc/38/13/64/215381364.db2.gz UKCKKXRUHBCARY-XHSDSOJGSA-N 1 0 328.412 3.238 50 0 EGAARO CC(C)/C=C/CN1CC[N@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000036379977 213091924 /nfs/dbraw/zinc/09/19/24/213091924.db2.gz FDYYEEPYCYWUDK-HSTAZWAASA-N 1 0 330.516 3.200 50 0 EGAARO CCNc1nc(NCCNC(=O)Nc2ccc(Cl)cc2)cc(C)[nH+]1 ZINC000072119201 216012874 /nfs/dbraw/zinc/01/28/74/216012874.db2.gz CPEXZSNJYIQRRB-UHFFFAOYSA-N 1 0 348.838 3.104 50 0 EGAARO c1ccc(SCC[N@@H+]2CCCN(Cc3cccnc3)CC2)cc1 ZINC000072153515 216042066 /nfs/dbraw/zinc/04/20/66/216042066.db2.gz NDUZZNCPSNCVFK-UHFFFAOYSA-N 1 0 327.497 3.382 50 0 EGAARO CC(C)NC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072161694 216050519 /nfs/dbraw/zinc/05/05/19/216050519.db2.gz ZBAOPGUDERCJFY-UHFFFAOYSA-N 1 0 336.479 3.223 50 0 EGAARO CCC[NH+]1CCN(c2ccnc(C(=O)N(C)C3CCCCC3)c2)CC1 ZINC000072163530 216051640 /nfs/dbraw/zinc/05/16/40/216051640.db2.gz UBPXVCAZWWMMDH-UHFFFAOYSA-N 1 0 344.503 3.018 50 0 EGAARO CN(Cc1cccnc1N)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072169250 216061208 /nfs/dbraw/zinc/06/12/08/216061208.db2.gz SHKNFWLNOJSWDW-HXUWFJFHSA-N 1 0 338.499 3.193 50 0 EGAARO COc1c(Cl)cc(Cl)cc1CN1CCOC[C@H](C[NH+](C)C)C1 ZINC000072169691 216061213 /nfs/dbraw/zinc/06/12/13/216061213.db2.gz OAJHMRQAYSYZQQ-GFCCVEGCSA-N 1 0 347.286 3.012 50 0 EGAARO O=C(NCCc1ccccc1Cl)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000072174247 216064853 /nfs/dbraw/zinc/06/48/53/216064853.db2.gz VWNYSPUOVHOBIJ-KRWDZBQOSA-N 1 0 328.843 3.389 50 0 EGAARO Cc1ncc(C(=O)N(CCc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000072430469 216221746 /nfs/dbraw/zinc/22/17/46/216221746.db2.gz FRZDUCGQTLTKAL-UHFFFAOYSA-N 1 0 343.496 3.231 50 0 EGAARO COc1cc(C(=O)N(C)CC2([NH+]3CCCCC3)CCCCC2)ccn1 ZINC000072469774 216248692 /nfs/dbraw/zinc/24/86/92/216248692.db2.gz VZLOKYZUKGKVJN-UHFFFAOYSA-N 1 0 345.487 3.351 50 0 EGAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(F)c(Br)c1 ZINC000022078330 212276987 /nfs/dbraw/zinc/27/69/87/212276987.db2.gz NJFNVSBTPDQWGG-NHYWBVRUSA-N 1 0 327.241 3.257 50 0 EGAARO c1csc(COc2ccc(C[NH2+]CCCN3CCOCC3)cc2)c1 ZINC000022074122 212275644 /nfs/dbraw/zinc/27/56/44/212275644.db2.gz QKDZDUIJNAFEIO-UHFFFAOYSA-N 1 0 346.496 3.139 50 0 EGAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1cnc(N2CCCC2)s1 ZINC000215078897 241105385 /nfs/dbraw/zinc/10/53/85/241105385.db2.gz VXXMGGYRHBTZDW-UHFFFAOYSA-N 1 0 333.505 3.148 50 0 EGAARO O=C(NC1CC[NH+](C2CCSCC2)CC1)[C@H]1CCc2ccccc21 ZINC000215159668 241109418 /nfs/dbraw/zinc/10/94/18/241109418.db2.gz SDWYLXNUCZLULB-IBGZPJMESA-N 1 0 344.524 3.193 50 0 EGAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)cc1 ZINC000216487118 241195393 /nfs/dbraw/zinc/19/53/93/241195393.db2.gz PQBNXONUCREODU-HXUWFJFHSA-N 1 0 339.439 3.221 50 0 EGAARO Cc1cc(C)n2ncc(C[N@H+](C)C[C@H]3CCN(c4ccccc4)C3)c2n1 ZINC000215579816 241135208 /nfs/dbraw/zinc/13/52/08/241135208.db2.gz RXRVKBIMDJCLQG-GOSISDBHSA-N 1 0 349.482 3.304 50 0 EGAARO COCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(F)ccc1F ZINC000244764161 243075854 /nfs/dbraw/zinc/07/58/54/243075854.db2.gz PCJNRAWMPYJEQL-AWEZNQCLSA-N 1 0 326.387 3.184 50 0 EGAARO C[N@H+](Cc1ccccc1)C1(CNCc2ccon2)Cc2ccccc2C1 ZINC000020538334 212145685 /nfs/dbraw/zinc/14/56/85/212145685.db2.gz SKUJAWIREPAUEF-UHFFFAOYSA-N 1 0 347.462 3.434 50 0 EGAARO CCOc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[NH2+]CC2 ZINC000020494336 212140599 /nfs/dbraw/zinc/14/05/99/212140599.db2.gz CIJJZQMYBCJLNP-IBGZPJMESA-N 1 0 327.380 3.058 50 0 biogenic,in-vitro EGAARO CCN1CC[NH+](CCCCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000020406311 212125787 /nfs/dbraw/zinc/12/57/87/212125787.db2.gz QLNFBZQIHWTQPW-UHFFFAOYSA-N 1 0 332.488 3.005 50 0 EGAARO CC(C)(C)c1ccc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077320926 216872735 /nfs/dbraw/zinc/87/27/35/216872735.db2.gz JLGSGFPRCZKRQC-NRFANRHFSA-N 1 0 344.499 3.047 50 0 EGAARO COc1ccc(OC)c(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000019842203 212075581 /nfs/dbraw/zinc/07/55/81/212075581.db2.gz UCKWNIGSCCMYBV-SJLPKXTDSA-N 1 0 332.488 3.400 50 0 EGAARO Cc1ncc2c(c1-c1noc([C@@H]3CCc4ccccc4O3)n1)CC[NH2+]C2 ZINC000019771809 212063394 /nfs/dbraw/zinc/06/33/94/212063394.db2.gz LQUAJZOSPDBNOX-KRWDZBQOSA-N 1 0 348.406 3.152 50 0 EGAARO O=C1C[C@H]([NH2+]C2CCSCC2)CN1Cc1cccc2ccccc21 ZINC000015079342 211800173 /nfs/dbraw/zinc/80/01/73/211800173.db2.gz QDBLSTITNYSBHO-SFHVURJKSA-N 1 0 340.492 3.426 50 0 EGAARO C[C@@H]1C[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H](C)O1 ZINC000012378339 211360027 /nfs/dbraw/zinc/36/00/27/211360027.db2.gz BTEPOPVDLPKRBZ-BBWFWOEESA-N 1 0 338.451 3.265 50 0 EGAARO CCN(Cc1c[nH]cn1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012316460 211345015 /nfs/dbraw/zinc/34/50/15/211345015.db2.gz IZTCFNDPYQUEPG-GOSISDBHSA-N 1 0 344.478 3.325 50 0 EGAARO O=C1N(CCc2ccccc2)CCC[C@]12CC[N@H+](Cc1cccnc1)C2 ZINC000012304536 211339978 /nfs/dbraw/zinc/33/99/78/211339978.db2.gz MWQGEKIVFADLEM-JOCHJYFZSA-N 1 0 349.478 3.139 50 0 EGAARO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012298407 211336719 /nfs/dbraw/zinc/33/67/19/211336719.db2.gz URPQRVJGTOUMDD-LJQANCHMSA-N 1 0 336.426 3.435 50 0 EGAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000012196433 211317590 /nfs/dbraw/zinc/31/75/90/211317590.db2.gz GIGAXFHDILQLAS-OAHLLOKOSA-N 1 0 346.814 3.101 50 0 EGAARO CCC[NH2+]CC[C@@H]1CCC(=O)N1CC1(c2ccccc2)CCOCC1 ZINC000011979557 211276437 /nfs/dbraw/zinc/27/64/37/211276437.db2.gz XUQBYOYZQULHBF-IBGZPJMESA-N 1 0 344.499 3.116 50 0 EGAARO Cc1ccc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c(F)c1F ZINC000091434038 218004865 /nfs/dbraw/zinc/00/48/65/218004865.db2.gz NEWBMPUBILIAEB-KUHUBIRLSA-N 1 0 339.426 3.273 50 0 EGAARO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000091486865 218013154 /nfs/dbraw/zinc/01/31/54/218013154.db2.gz DXTAINQOXBBSAX-OAQYLSRUSA-N 1 0 338.451 3.104 50 0 EGAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000011843219 211256513 /nfs/dbraw/zinc/25/65/13/211256513.db2.gz NPLPIUIWJHZSPF-INIZCTEOSA-N 1 0 326.375 3.438 50 0 EGAARO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(C)c(OC)cc1C)C2 ZINC000091706809 218050882 /nfs/dbraw/zinc/05/08/82/218050882.db2.gz COBVSKLNEPPELT-FUHWJXTLSA-N 1 0 330.472 3.145 50 0 EGAARO CC[NH+](CC)CCC(=O)N[C@H](C)c1cnn(-c2ccccc2C)c1C ZINC000011815023 211249176 /nfs/dbraw/zinc/24/91/76/211249176.db2.gz ILKXYODKVDHZNG-MRXNPFEDSA-N 1 0 342.487 3.398 50 0 EGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)C=C(C)C)cc1 ZINC000011662629 211229444 /nfs/dbraw/zinc/22/94/44/211229444.db2.gz HVBLTXZAQYPNHU-UHFFFAOYSA-N 1 0 344.499 3.374 50 0 EGAARO Cc1cc(N2CCCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc[nH+]1 ZINC000091846501 218075895 /nfs/dbraw/zinc/07/58/95/218075895.db2.gz PWYJJVJQBVFFOO-UHFFFAOYSA-N 1 0 335.451 3.231 50 0 EGAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000091873286 218082487 /nfs/dbraw/zinc/08/24/87/218082487.db2.gz AZOKVFBLCDQRCJ-MRXNPFEDSA-N 1 0 329.469 3.301 50 0 EGAARO Cc1ccc2[nH]c([C@@H](C)NC(=O)CCC[NH+]3CCCCC3)nc2c1 ZINC000095362532 218295236 /nfs/dbraw/zinc/29/52/36/218295236.db2.gz NWURUBMALCPVKT-OAHLLOKOSA-N 1 0 328.460 3.315 50 0 EGAARO CC[C@@H](NC(=O)C1CC[NH+](C2CCCCC2)CC1)c1cnn(C)c1 ZINC000095376138 218308542 /nfs/dbraw/zinc/30/85/42/218308542.db2.gz LFSCZIRGKGHUBK-GOSISDBHSA-N 1 0 332.492 3.032 50 0 EGAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2ncccc2C1 ZINC000095368741 218301607 /nfs/dbraw/zinc/30/16/07/218301607.db2.gz PRAHFHYUVWYUFS-UHFFFAOYSA-N 1 0 335.451 3.266 50 0 EGAARO Cc1cccc(C)c1OCCN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095370649 218302912 /nfs/dbraw/zinc/30/29/12/218302912.db2.gz UEFIFNHAKHUPJK-SFHVURJKSA-N 1 0 332.488 3.405 50 0 EGAARO OC1CC[NH+](C2CCN(c3ccnc4ccc(Cl)cc43)CC2)CC1 ZINC000095374023 218306343 /nfs/dbraw/zinc/30/63/43/218306343.db2.gz DXUKSCYTQKWHKR-UHFFFAOYSA-N 1 0 345.874 3.314 50 0 EGAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)C)c1 ZINC000095513118 218423142 /nfs/dbraw/zinc/42/31/42/218423142.db2.gz LMYBIUCVXSSEAS-UHFFFAOYSA-N 1 0 346.471 3.183 50 0 EGAARO CC(C)c1cc(Br)ccc1OCCC[NH2+]C[C@H](C)O ZINC000004832956 210292177 /nfs/dbraw/zinc/29/21/77/210292177.db2.gz YBTAEROJPHDXAC-LBPRGKRZSA-N 1 0 330.266 3.312 50 0 EGAARO COc1cccc(-c2ccccc2NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000097413225 219022402 /nfs/dbraw/zinc/02/24/02/219022402.db2.gz RMJSQGWYGBLKQE-IYBDPMFKSA-N 1 0 337.423 3.045 50 0 EGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)NCc2ccco2)CC1 ZINC000426487399 257966722 /nfs/dbraw/zinc/96/67/22/257966722.db2.gz NEBXCZMSGAFIAH-UHFFFAOYSA-N 1 0 341.455 3.128 50 0 EGAARO O=C(Nc1ccc(F)nc1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000299771993 258084329 /nfs/dbraw/zinc/08/43/29/258084329.db2.gz ZCBJNBBCUSCHFX-ZDUSSCGKSA-N 1 0 334.420 3.068 50 0 EGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc[nH]c1=O ZINC000299773008 258084965 /nfs/dbraw/zinc/08/49/65/258084965.db2.gz CKJJPBZJPRDFSD-UHFFFAOYSA-N 1 0 340.427 3.047 50 0 EGAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000299784740 258092506 /nfs/dbraw/zinc/09/25/06/258092506.db2.gz IMDIRKKDBKHRMG-AZQPONJRSA-N 1 0 348.874 3.186 50 0 EGAARO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c(C)c1C ZINC000299795300 258099690 /nfs/dbraw/zinc/09/96/90/258099690.db2.gz MPIUXTHXUBENBL-YSIASYRMSA-N 1 0 333.472 3.470 50 0 EGAARO O[C@@H](C[NH2+]C1CCCCC1)COc1ccccc1Br ZINC000004936054 258051425 /nfs/dbraw/zinc/05/14/25/258051425.db2.gz SPWCMRXATBXDBE-ZDUSSCGKSA-N 1 0 328.250 3.111 50 0 EGAARO C[N@@H+](Cc1cnc(N2CCCC2)s1)C[C@@H]1Cc2ccccc2O1 ZINC000215967914 258072380 /nfs/dbraw/zinc/07/23/80/258072380.db2.gz FJEKLCHZPHIXQC-HNNXBMFYSA-N 1 0 329.469 3.179 50 0 EGAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3ccc(CC)s3)cc2C1 ZINC000299764913 258080060 /nfs/dbraw/zinc/08/00/60/258080060.db2.gz WFWCOTQCBCAJPI-UHFFFAOYSA-N 1 0 346.500 3.053 50 0 EGAARO Cc1ccc2cc(C[NH2+]CC3(O)CCCCC3)c(N(C)C)nc2c1 ZINC000299765685 258080815 /nfs/dbraw/zinc/08/08/15/258080815.db2.gz PZCBKBUDZDSLDB-UHFFFAOYSA-N 1 0 327.472 3.394 50 0 EGAARO c1ccc(C(C[NH+]2CCN(c3ncccn3)CC2)c2ccccc2)cc1 ZINC000055292110 132194728 /nfs/dbraw/zinc/19/47/28/132194728.db2.gz CYKIPNXKIOXHMJ-UHFFFAOYSA-N 1 0 344.462 3.431 50 0 EGAARO c1nc2c([nH]1)[C@H](c1ccc(-c3ccc4c(c3)OCCO4)cc1)[NH2+]CC2 ZINC000067490341 285579663 /nfs/dbraw/zinc/57/96/63/285579663.db2.gz DOVJFHHAPMQXNM-IBGZPJMESA-N 1 0 333.391 3.083 50 0 EGAARO COCCCN(C(=O)c1ccc(Cl)c(C)c1)C1CC[NH+](C)CC1 ZINC000072480147 292327978 /nfs/dbraw/zinc/32/79/78/292327978.db2.gz DKWUVZKUBDKGBX-UHFFFAOYSA-N 1 0 338.879 3.221 50 0 EGAARO Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000195520687 266186010 /nfs/dbraw/zinc/18/60/10/266186010.db2.gz NLTQDNZROSORDJ-QGZVFWFLSA-N 1 0 340.471 3.100 50 0 EGAARO [NH3+]CCC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071751297 274944975 /nfs/dbraw/zinc/94/49/75/274944975.db2.gz QLUFLCWXMGMMEE-CYBMUJFWSA-N 1 0 328.378 3.225 50 0 EGAARO CC(C)c1nc2oc3c(ncnc3NCC[NH+](C)C)c2c2c1CCC2 ZINC000002219688 278078352 /nfs/dbraw/zinc/07/83/52/278078352.db2.gz KJRDAIVLWBHOFR-UHFFFAOYSA-N 1 0 339.443 3.357 50 0 EGAARO C[C@H](C1CCN(c2noc(-c3ccccc3)n2)CC1)[NH+]1CCCC1 ZINC000077436637 279243517 /nfs/dbraw/zinc/24/35/17/279243517.db2.gz WQWIDYCSKSSYJY-OAHLLOKOSA-N 1 0 326.444 3.437 50 0 EGAARO Cc1ccc2c(c1)c1c3n2CCN(C(=O)C[NH+]2CCCC2)[C@H]3CCC1 ZINC000000818413 281131075 /nfs/dbraw/zinc/13/10/75/281131075.db2.gz TVVFLBVCRNYTGJ-IBGZPJMESA-N 1 0 337.467 3.265 50 0 EGAARO C[NH+](C)CCN(Cc1nc(-c2ccccc2)cs1)C[C@H]1CCCO1 ZINC000349039066 289152047 /nfs/dbraw/zinc/15/20/47/289152047.db2.gz WUIMDBKQAJAULC-QGZVFWFLSA-N 1 0 345.512 3.353 50 0 EGAARO NC(=O)CC[N@H+](Cc1cncn1C1CCCCC1)Cc1ccccc1 ZINC000244763846 295039723 /nfs/dbraw/zinc/03/97/23/295039723.db2.gz OWMFHERIBKCEAS-UHFFFAOYSA-N 1 0 340.471 3.266 50 0 EGAARO Cc1[nH]c2ccccc2c1CC(=O)NCCC12CCC[NH+]1CCC2 ZINC000222340370 300893052 /nfs/dbraw/zinc/89/30/52/300893052.db2.gz KNVTWOYTROLGKX-UHFFFAOYSA-N 1 0 325.456 3.154 50 0 EGAARO [NH3+]C[C@H]1CCCN(C(=O)c2ccccc2OCCc2ccccc2)C1 ZINC000244724030 455276059 /nfs/dbraw/zinc/27/60/59/455276059.db2.gz MMHUKNHWKXLABA-GOSISDBHSA-N 1 0 338.451 3.119 50 0 EGAARO Cc1ccc(C)c2c(=O)cc(CN3CC[N@@H+]4CCCC[C@H]4C3)[nH]c12 ZINC000244773816 455277122 /nfs/dbraw/zinc/27/71/22/455277122.db2.gz PHCAVZKQNMHCRM-KRWDZBQOSA-N 1 0 325.456 3.227 50 0 EGAARO O[C@@H](C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000000118442 452513086 /nfs/dbraw/zinc/51/30/86/452513086.db2.gz AKFFNUJUESASEM-SFHVURJKSA-N 1 0 331.843 3.357 50 0 EGAARO COc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000000189260 452531067 /nfs/dbraw/zinc/53/10/67/452531067.db2.gz AWPDVLXZHUFYBN-ORAYPTAESA-N 1 0 329.396 3.022 50 0 biogenic EGAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1Br ZINC000000209852 452536313 /nfs/dbraw/zinc/53/63/13/452536313.db2.gz MRTKNZJFLHZKJY-ZDUSSCGKSA-N 1 0 328.250 3.195 50 0 EGAARO COc1cccc(CN2CCC([NH+]3CCC(C)CC3)CC2)c1OC ZINC000000315775 452562902 /nfs/dbraw/zinc/56/29/02/452562902.db2.gz BCEAPEFYOMHQGL-UHFFFAOYSA-N 1 0 332.488 3.400 50 0 EGAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000000507497 452610013 /nfs/dbraw/zinc/61/00/13/452610013.db2.gz JTKWBRIFJKXQPK-CYBMUJFWSA-N 1 0 343.427 3.076 50 0 EGAARO Cc1ccc(OCC(=O)O[C@H](C)C[N@H+](C)Cc2ccccc2)cc1 ZINC000002180647 452687577 /nfs/dbraw/zinc/68/75/77/452687577.db2.gz KNRYEMGUWQATJB-QGZVFWFLSA-N 1 0 327.424 3.438 50 0 EGAARO Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000005704754 452898071 /nfs/dbraw/zinc/89/80/71/452898071.db2.gz WWJWWCMJUNBMKL-QGZVFWFLSA-N 1 0 342.439 3.229 50 0 EGAARO CCOC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2C)CC1 ZINC000006701688 452971744 /nfs/dbraw/zinc/97/17/44/452971744.db2.gz WOUSXFZHYSIROD-UHFFFAOYSA-N 1 0 325.836 3.302 50 0 EGAARO COC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008714109 453225734 /nfs/dbraw/zinc/22/57/34/453225734.db2.gz BKIUNOMNFGYBIA-UHFFFAOYSA-N 1 0 328.412 3.411 50 0 EGAARO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860012 453587799 /nfs/dbraw/zinc/58/77/99/453587799.db2.gz XPJPVTHRVQOOSP-KRWDZBQOSA-N 1 0 328.412 3.245 50 0 EGAARO COc1cc(C(C)=O)ccc1OCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489344 453609737 /nfs/dbraw/zinc/60/97/37/453609737.db2.gz HVDNOTGXSYFVOM-GASCZTMLSA-N 1 0 335.444 3.166 50 0 EGAARO CC[N@@H+]1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000019334950 453656271 /nfs/dbraw/zinc/65/62/71/453656271.db2.gz QYBLDNOQHXMDSP-KRWDZBQOSA-N 1 0 341.421 3.312 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1OCc1ccccc1 ZINC000023281982 453708217 /nfs/dbraw/zinc/70/82/17/453708217.db2.gz GFRLPUUSLLKXCD-IBGZPJMESA-N 1 0 341.451 3.479 50 0 EGAARO COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027741658 453820226 /nfs/dbraw/zinc/82/02/26/453820226.db2.gz PRNMBVLDVMKBFA-QGZVFWFLSA-N 1 0 344.480 3.253 50 0 EGAARO Cc1ccc([C@H](CNc2ncc(Br)cn2)[NH+](C)C)cc1 ZINC000067369893 453926278 /nfs/dbraw/zinc/92/62/78/453926278.db2.gz GHZDEZNCHVBNCN-AWEZNQCLSA-N 1 0 335.249 3.262 50 0 EGAARO c1cc(C[N@H+](Cc2ccc3nonc3c2)C[C@H]2CCCO2)cs1 ZINC000055383356 453979796 /nfs/dbraw/zinc/97/97/96/453979796.db2.gz MCSVPKKZGCEPSV-OAHLLOKOSA-N 1 0 329.425 3.466 50 0 EGAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)/C=C/c1ccccc1Cl ZINC000085473121 454030779 /nfs/dbraw/zinc/03/07/79/454030779.db2.gz GNRBXEXQIKKOGU-XVJNWHFHSA-N 1 0 338.904 3.249 50 0 EGAARO Cc1ccc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c(F)c1 ZINC000077390941 454100901 /nfs/dbraw/zinc/10/09/01/454100901.db2.gz OAPLSJVAPNYXIP-QGZVFWFLSA-N 1 0 326.415 3.263 50 0 EGAARO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000044690101 454114242 /nfs/dbraw/zinc/11/42/42/454114242.db2.gz GIGFIWJRTMBSRP-PWRODBHTSA-N 1 0 338.451 3.445 50 0 EGAARO COc1c(C[NH2+]C[C@H]2CCN(C)c3ccccc32)c(C(C)C)nn1C ZINC000058421511 454201358 /nfs/dbraw/zinc/20/13/58/454201358.db2.gz QCYUDPDGEQPECO-OAHLLOKOSA-N 1 0 342.487 3.265 50 0 EGAARO [NH3+]CCC(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071751296 454213140 /nfs/dbraw/zinc/21/31/40/454213140.db2.gz QLUFLCWXMGMMEE-ZDUSSCGKSA-N 1 0 328.378 3.225 50 0 EGAARO CC(C)[NH+]1CCC(Cn2ccnc2-c2cccc(OCCO)c2)CC1 ZINC000071762268 454215327 /nfs/dbraw/zinc/21/53/27/454215327.db2.gz LOSKHOFZZZHBBK-UHFFFAOYSA-N 1 0 343.471 3.042 50 0 EGAARO CCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071764228 454217267 /nfs/dbraw/zinc/21/72/67/454217267.db2.gz BVKWGKOJVNGZKO-SFHVURJKSA-N 1 0 335.467 3.478 50 0 EGAARO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccccc2)C[C@@H]1[NH3+] ZINC000071791416 454218904 /nfs/dbraw/zinc/21/89/04/454218904.db2.gz CSXFKPWYLDEBEW-JKSUJKDBSA-N 1 0 348.443 3.052 50 0 EGAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)Cc1ccncc1)CC2 ZINC000095502320 454222009 /nfs/dbraw/zinc/22/20/09/454222009.db2.gz PCYGQTPXNXHUCW-HXUWFJFHSA-N 1 0 349.478 3.105 50 0 EGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC000095528505 454229325 /nfs/dbraw/zinc/22/93/25/454229325.db2.gz GFIDUPJMXDWOMC-QGZVFWFLSA-N 1 0 346.519 3.121 50 0 EGAARO COc1cccc(C)c1NC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000095529623 454229415 /nfs/dbraw/zinc/22/94/15/454229415.db2.gz JUZBFQMQFJPASE-MRXNPFEDSA-N 1 0 331.460 3.486 50 0 EGAARO C[NH+](C)CCC[C@H]1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000095857870 454232040 /nfs/dbraw/zinc/23/20/40/454232040.db2.gz CWNJEYNRTSTRHF-RBUKOAKNSA-N 1 0 336.435 3.302 50 0 EGAARO c1ccc([C@H]2CC[N@@H+](CCNc3nccc(-c4ccccn4)n3)C2)cc1 ZINC000096149887 454293022 /nfs/dbraw/zinc/29/30/22/454293022.db2.gz KCTZJQUTSJMWIR-SFHVURJKSA-N 1 0 345.450 3.440 50 0 EGAARO Cc1cc(N2CCC[C@@H](CCc3c(F)cccc3F)C2)nc(N)[nH+]1 ZINC000072422120 454295839 /nfs/dbraw/zinc/29/58/39/454295839.db2.gz YNKPUTNHLKFJKE-ZDUSSCGKSA-N 1 0 332.398 3.495 50 0 EGAARO Cn1ccc2c1cccc2C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343608 454319471 /nfs/dbraw/zinc/31/94/71/454319471.db2.gz OTNPOMCTGDFKFI-CRAIPNDOSA-N 1 0 325.456 3.173 50 0 EGAARO C[NH+]1CCC(NC(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000061031052 454325590 /nfs/dbraw/zinc/32/55/90/454325590.db2.gz GMIDVJUBRJZKAB-UHFFFAOYSA-N 1 0 326.893 3.423 50 0 EGAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccsc1)c1ccc2c(c1)CCO2 ZINC000090607246 454327715 /nfs/dbraw/zinc/32/77/15/454327715.db2.gz HNGPLRAUDVDDJG-ZVVFDCPKSA-N 1 0 342.464 3.115 50 0 EGAARO CCn1nc(C(C)C)cc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000091269927 454420402 /nfs/dbraw/zinc/42/04/02/454420402.db2.gz UUQIABXPULKQBS-LJQANCHMSA-N 1 0 342.487 3.368 50 0 EGAARO Cc1cccc(NC[C@@H]2CCN([C@@H](C)c3nc(C4CC4)no3)C2)[nH+]1 ZINC000097200541 454422887 /nfs/dbraw/zinc/42/28/87/454422887.db2.gz CIWPKEFTDGLFDT-KBPBESRZSA-N 1 0 327.432 3.145 50 0 EGAARO CN(CC[C@@H](O)c1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097532665 454440890 /nfs/dbraw/zinc/44/08/90/454440890.db2.gz NCSKUKPHRJOHOE-GOSISDBHSA-N 1 0 342.439 3.071 50 0 EGAARO CCOc1ccc([C@@H](O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000065255253 454544967 /nfs/dbraw/zinc/54/49/67/454544967.db2.gz VNQJIHXVZNMLDK-FQEVSTJZSA-N 1 0 332.488 3.069 50 0 EGAARO C[C@H](NC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1)c1ccco1 ZINC000065385758 454557965 /nfs/dbraw/zinc/55/79/65/454557965.db2.gz JWIZLNNPKDCEFD-ZDUSSCGKSA-N 1 0 348.830 3.311 50 0 EGAARO O=C(CC[NH+]1CCC2(CCc3ccccc32)CC1)NCc1ccco1 ZINC000065393338 454558657 /nfs/dbraw/zinc/55/86/57/454558657.db2.gz HJHOKCIEWUWKLZ-UHFFFAOYSA-N 1 0 338.451 3.266 50 0 EGAARO O=C(C[NH2+]Cc1csc2ccc(Cl)cc12)Nc1cnccn1 ZINC000065394679 454559329 /nfs/dbraw/zinc/55/93/29/454559329.db2.gz SJWVGEGCVLDTFU-UHFFFAOYSA-N 1 0 332.816 3.073 50 0 EGAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cccn3-c3nccs3)C2)n1 ZINC000065456058 454570339 /nfs/dbraw/zinc/57/03/39/454570339.db2.gz OTXAARCBPMTACF-INIZCTEOSA-N 1 0 327.457 3.194 50 0 EGAARO O=C(NCCC1=CCC[N@@H+](CCCF)C1)c1c(F)cccc1F ZINC000065469156 454572301 /nfs/dbraw/zinc/57/23/01/454572301.db2.gz ITOSHLTXOBGSQB-UHFFFAOYSA-N 1 0 326.362 3.076 50 0 EGAARO Cc1ccc([C@H](CNC(=O)/C=C/c2nccs2)[NH+]2CCCC2)o1 ZINC000065625340 454607252 /nfs/dbraw/zinc/60/72/52/454607252.db2.gz ORYNOLXXPYZXMB-UZYOAWRESA-N 1 0 331.441 3.011 50 0 EGAARO O=c1c2cc(Cl)ccc2occ1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@@H]12 ZINC000169676054 454930050 /nfs/dbraw/zinc/93/00/50/454930050.db2.gz KHDRMEPKJVXMQZ-QILLFSRXSA-N 1 0 333.815 3.402 50 0 biogenic EGAARO O=C(CC[N@@H+]1CCCC[C@@H]1CCc1ccccn1)Nc1nccs1 ZINC000252480003 455807535 /nfs/dbraw/zinc/80/75/35/455807535.db2.gz BRLFPXKZSBUQCO-MRXNPFEDSA-N 1 0 344.484 3.354 50 0 EGAARO [NH3+][C@@H]1CC[C@@H](NC(=O)c2cccnc2SCCc2ccccc2)C1 ZINC000252485505 455809565 /nfs/dbraw/zinc/80/95/65/455809565.db2.gz GXACKBBBGWTIDG-HZPDHXFCSA-N 1 0 341.480 3.026 50 0 EGAARO Cc1ccc(C)c(NC(=O)CCN2CC([N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000252488690 455811136 /nfs/dbraw/zinc/81/11/36/455811136.db2.gz IXADAHZEJRETEH-KRWDZBQOSA-N 1 0 329.488 3.191 50 0 EGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1ccn(C(F)F)n1 ZINC000220509035 456040173 /nfs/dbraw/zinc/04/01/73/456040173.db2.gz OAIMLEJPBFNSTA-UHFFFAOYSA-N 1 0 348.397 3.146 50 0 EGAARO C[NH+](C)C1(CNC(=O)c2cc(-c3ccsc3)n[nH]2)CCCCC1 ZINC000223319710 456055486 /nfs/dbraw/zinc/05/54/86/456055486.db2.gz CCZYEWQCEOMDBM-UHFFFAOYSA-N 1 0 332.473 3.133 50 0 EGAARO O=C(CC[NH+]1CCCCCCC1)NCCc1nc2cc(F)ccc2[nH]1 ZINC000299773950 456781161 /nfs/dbraw/zinc/78/11/61/456781161.db2.gz GSUCTHFDWIJEMT-UHFFFAOYSA-N 1 0 346.450 3.017 50 0 EGAARO CN(C)c1cccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000426376369 457815392 /nfs/dbraw/zinc/81/53/92/457815392.db2.gz MUUPPZUHFVQZBS-NRFANRHFSA-N 1 0 349.478 3.340 50 0 EGAARO Cc1cccc(Cl)c1OCCNC(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000426405121 457822501 /nfs/dbraw/zinc/82/25/01/457822501.db2.gz JUICTKFQTHAIJQ-OAHLLOKOSA-N 1 0 338.879 3.408 50 0 EGAARO COCCCN(Cc1ccc(C)cc1)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000426474282 457836741 /nfs/dbraw/zinc/83/67/41/457836741.db2.gz NNLOHRSWURPLNY-LJQANCHMSA-N 1 0 347.503 3.027 50 0 EGAARO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(OC)c1C ZINC000426501915 457843522 /nfs/dbraw/zinc/84/35/22/457843522.db2.gz SHUGLTJUBQGOJX-IMFGXOCKSA-N 1 0 349.471 3.171 50 0 EGAARO [NH3+]C[C@H]1CCCCN1C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000426508159 457845153 /nfs/dbraw/zinc/84/51/53/457845153.db2.gz XHCZABAFZCCJSD-GOSISDBHSA-N 1 0 329.488 3.411 50 0 EGAARO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(O)cc2)C2CC2)C1 ZINC000584892958 459820005 /nfs/dbraw/zinc/82/00/05/459820005.db2.gz ISMJNTVBFOIETE-INIZCTEOSA-N 1 0 345.487 3.187 50 0 EGAARO Cc1noc(C)c1C[NH+]1CCC(NC(=O)c2ccc(C)c(F)c2)CC1 ZINC000169751651 534352370 /nfs/dbraw/zinc/35/23/70/534352370.db2.gz DJLWLKOCBIFAGO-UHFFFAOYSA-N 1 0 345.418 3.133 50 0 EGAARO CC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2C)n(C)c1 ZINC000215109092 534816836 /nfs/dbraw/zinc/81/68/36/534816836.db2.gz QUEOADAOYAJYBV-GOSISDBHSA-N 1 0 328.460 3.177 50 0 EGAARO CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000014950227 546518389 /nfs/dbraw/zinc/51/83/89/546518389.db2.gz LNPZQFJQBLWAIO-OAQYLSRUSA-N 1 0 344.499 3.235 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2cn(C)nc2C)c(F)c1 ZINC000012317633 1291132132 /nfs/dbraw/zinc/13/21/32/1291132132.db2.gz VUJSUQGHNUVQRP-NSHDSACASA-N 1 0 343.406 3.117 50 0 EGAARO CCCn1cc(C[NH2+][C@@H]2CC(=O)N(C3CCCCCC3)C2)c(C)n1 ZINC000012587470 1291133277 /nfs/dbraw/zinc/13/32/77/1291133277.db2.gz DKTPMAQNSBGMOW-QGZVFWFLSA-N 1 0 332.492 3.015 50 0 EGAARO CCOc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000023145952 1291230955 /nfs/dbraw/zinc/23/09/55/1291230955.db2.gz BWZRRUXFDNEWBO-UHFFFAOYSA-N 1 0 348.450 3.402 50 0 EGAARO CC(C)[C@H]1CN(C(=O)c2ccno2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071615010 1292267781 /nfs/dbraw/zinc/26/77/81/1292267781.db2.gz LAFJCEYXPUWLDO-QGZVFWFLSA-N 1 0 345.418 3.186 50 0 EGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cccc(=O)[nH]1 ZINC000828928317 1292518028 /nfs/dbraw/zinc/51/80/28/1292518028.db2.gz CJAHUFNWGDOBQN-GOSISDBHSA-N 1 0 339.439 3.134 50 0 EGAARO CC1=CCCC(C)=C[C@@H](O)[C@H]2[C@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000257199020 1296587692 /nfs/dbraw/zinc/58/76/92/1296587692.db2.gz PBRLWNMMGXHHMD-ZSYWTGECSA-N 1 0 333.472 3.068 50 0 biogenic EGAARO Cc1ccc(-c2nn3c(nnc3[C@H]3CCC[N@@H+](C)C3)s2)cc1C ZINC000823771480 1320205229 /nfs/dbraw/zinc/20/52/29/1320205229.db2.gz SCNCMHZJGWWRMG-AWEZNQCLSA-N 1 0 327.457 3.279 50 0 EGAARO C[NH2+]Cc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3 ZINC000824046068 1320224493 /nfs/dbraw/zinc/22/44/93/1320224493.db2.gz DVALZVGGUCDTNZ-UHFFFAOYSA-N 1 0 340.354 3.401 50 0 EGAARO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1F ZINC000824722623 1320280279 /nfs/dbraw/zinc/28/02/79/1320280279.db2.gz CEWKVYPGTPUGDC-CQSZACIVSA-N 1 0 348.443 3.290 50 0 EGAARO CC[C@H](Cn1ccnc1)[NH2+]Cc1c(-c2ccccc2)nc2ncccn12 ZINC000952870317 1334583591 /nfs/dbraw/zinc/58/35/91/1334583591.db2.gz VTGWKUBYXFHNGO-QGZVFWFLSA-N 1 0 346.438 3.161 50 0 EGAARO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000952872234 1334584413 /nfs/dbraw/zinc/58/44/13/1334584413.db2.gz LTLAJDVZYAWJAO-GOSISDBHSA-N 1 0 341.434 3.412 50 0 EGAARO Cc1ccc(SCCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000952872286 1334584548 /nfs/dbraw/zinc/58/45/48/1334584548.db2.gz MTEBLTNJYILFTJ-LJQANCHMSA-N 1 0 347.528 3.262 50 0 EGAARO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@]1(C)CC[N@@H+](C)C1 ZINC000952874119 1334585147 /nfs/dbraw/zinc/58/51/47/1334585147.db2.gz WLMQUGOKEIPISE-HXUWFJFHSA-N 1 0 343.471 3.404 50 0 EGAARO CCOc1ccc2[nH]c(=O)c(C[NH2+][C@H](CC)Cn3ccnc3)cc2c1 ZINC000952972301 1334627708 /nfs/dbraw/zinc/62/77/08/1334627708.db2.gz ZRMDYFMAJKFUCK-MRXNPFEDSA-N 1 0 340.427 3.104 50 0 EGAARO O=C(NCC1CC[NH+](CCC2CCCCCC2)CC1)c1ccnnc1 ZINC000952978244 1334629350 /nfs/dbraw/zinc/62/93/50/1334629350.db2.gz PZEZQKDJWGJCFC-UHFFFAOYSA-N 1 0 344.503 3.279 50 0 EGAARO Cc1ccn2cc(-c3ccc(NC(=O)[C@@H]4CCCC[NH2+]4)cc3)nc2c1 ZINC000952981292 1334630076 /nfs/dbraw/zinc/63/00/76/1334630076.db2.gz DCFRWDZSXTXCPL-KRWDZBQOSA-N 1 0 334.423 3.390 50 0 EGAARO CC[C@H](C(=O)Nc1ccccc1C[NH+]1CCCCC1)n1cccn1 ZINC000952985235 1334630820 /nfs/dbraw/zinc/63/08/20/1334630820.db2.gz FRXZYXZPDQSUHW-GOSISDBHSA-N 1 0 326.444 3.459 50 0 EGAARO O=C(c1cccs1)N1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC001194713773 1368311227 /nfs/dbraw/zinc/31/12/27/1368311227.db2.gz FJFWPQDIICBPDN-UHFFFAOYSA-N 1 0 344.480 3.365 50 0 EGAARO COCc1nnc(NC[C@H](c2ccccc2)[NH+]2CCCCCC2)o1 ZINC001772706342 1441417197 /nfs/dbraw/zinc/41/71/97/1441417197.db2.gz RIWVALHKFIVZMM-MRXNPFEDSA-N 1 0 330.432 3.245 50 0 EGAARO Cc1ccsc1C(=O)N1C[C@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772710302 1441417291 /nfs/dbraw/zinc/41/72/91/1441417291.db2.gz PZIXDRHUWWGQQS-YLJYHZDGSA-N 1 0 340.492 3.351 50 0 EGAARO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC001772818662 1441417692 /nfs/dbraw/zinc/41/76/92/1441417692.db2.gz JCIOTOSEVPBDQA-RBUKOAKNSA-N 1 0 344.524 3.220 50 0 EGAARO C[C@@H](COc1ccccc1)[NH+]1CCC(c2ccn(C)c(=O)c2)CC1 ZINC001772816046 1441417717 /nfs/dbraw/zinc/41/77/17/1441417717.db2.gz FLLLAXDYMOKLNA-INIZCTEOSA-N 1 0 326.440 3.032 50 0 EGAARO CC(C)N1C[C@@H](C[NH+]2CCN(c3ccccc3Cl)CC2)CCC1=O ZINC001772814560 1441417752 /nfs/dbraw/zinc/41/77/52/1441417752.db2.gz HKVNQLKLRFPHCF-MRXNPFEDSA-N 1 0 349.906 3.109 50 0 EGAARO O=C(Nc1ccc(Cl)c2ncccc12)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000097717420 219050184 /nfs/dbraw/zinc/05/01/84/219050184.db2.gz IQUXTUUJQZHPFW-RYUDHWBXSA-N 1 0 330.819 3.104 50 0 EGAARO COCc1cn(C2CC[NH+](CC[C@H](C)c3ccccc3)CC2)nn1 ZINC000055090640 214271889 /nfs/dbraw/zinc/27/18/89/214271889.db2.gz TWQYXPOXRIVQES-INIZCTEOSA-N 1 0 328.460 3.255 50 0 EGAARO Cc1ccc([C@H](C)CC[NH+]2CCC(c3cc(=O)[nH]c(C)n3)CC2)o1 ZINC000097766203 219055785 /nfs/dbraw/zinc/05/57/85/219055785.db2.gz ZIJVTRHMGPGKIM-CYBMUJFWSA-N 1 0 329.444 3.353 50 0 EGAARO Oc1cc(Br)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000097848822 219060095 /nfs/dbraw/zinc/06/00/95/219060095.db2.gz ROAPLHGJUGJWLG-UHFFFAOYSA-N 1 0 347.256 3.477 50 0 EGAARO c1ccc(COc2cccc(C[NH2+]CCCN3CCOCC3)c2)cc1 ZINC000004345409 210175381 /nfs/dbraw/zinc/17/53/81/210175381.db2.gz UKSKKJAGWVXUJG-UHFFFAOYSA-N 1 0 340.467 3.078 50 0 EGAARO CN(CCc1ccncc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000174332877 529937182 /nfs/dbraw/zinc/93/71/82/529937182.db2.gz GKWKXLVWKHQYIW-FQEVSTJZSA-N 1 0 337.467 3.137 50 0 EGAARO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000101772535 219164159 /nfs/dbraw/zinc/16/41/59/219164159.db2.gz ZTWYKJNOFHCLGY-ITGUQSILSA-N 1 0 334.366 3.416 50 0 EGAARO CC(C)CC[C@@H](CC(=O)NCC[NH+](C)C)[C@@H]1CCOC(C)(C)C1 ZINC000004084478 210115725 /nfs/dbraw/zinc/11/57/25/210115725.db2.gz LHZAEUFCMPVBIP-DLBZAZTESA-N 1 0 326.525 3.312 50 0 biogenic EGAARO COc1cc([C@H]2[NH2+]CCc3nc[nH]c32)ccc1OCc1ccccc1 ZINC000066088312 215008483 /nfs/dbraw/zinc/00/84/83/215008483.db2.gz YLMLEOWTZVRUAN-LJQANCHMSA-N 1 0 335.407 3.232 50 0 EGAARO COc1ccc(F)c(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)c1 ZINC000102462577 219204610 /nfs/dbraw/zinc/20/46/10/219204610.db2.gz WPWJDTUZFBMOBR-WDNDVIMCSA-N 1 0 346.402 3.285 50 0 EGAARO c1[nH]c2ccccc2c1CCNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000067447271 215146853 /nfs/dbraw/zinc/14/68/53/215146853.db2.gz WDJJVRUDIKLZHT-UHFFFAOYSA-N 1 0 349.463 3.473 50 0 EGAARO NC(=O)c1ccc(Oc2ccc(C[NH+]3CCCC3)cc2Cl)nc1 ZINC000067673979 215179357 /nfs/dbraw/zinc/17/93/57/215179357.db2.gz IDYOZWHUDMRMOV-UHFFFAOYSA-N 1 0 331.803 3.222 50 0 EGAARO Cc1c(O)cccc1C(=O)NCC1CC[NH+](CCC(F)(F)F)CC1 ZINC000067679356 215184250 /nfs/dbraw/zinc/18/42/50/215184250.db2.gz APHORJIEHNUUGV-UHFFFAOYSA-N 1 0 344.377 3.095 50 0 EGAARO C[N@H+](Cc1ccc2ccccc2n1)C1CCN(C(=O)C2CCC2)CC1 ZINC000067758414 215205689 /nfs/dbraw/zinc/20/56/89/215205689.db2.gz WJHKAFQDDCRIFH-UHFFFAOYSA-N 1 0 337.467 3.458 50 0 EGAARO COc1ccc2c(C)nc(N3CC([N@@H+]4CCCC[C@@H]4C)C3)nc2c1 ZINC000067806002 215218101 /nfs/dbraw/zinc/21/81/01/215218101.db2.gz IIVQFFKDOMWSDQ-ZDUSSCGKSA-N 1 0 326.444 3.010 50 0 EGAARO Cc1cccc2[nH]c(CC[NH2+]C3CCN(Cc4ccccn4)CC3)nc21 ZINC000067847036 215229010 /nfs/dbraw/zinc/22/90/10/215229010.db2.gz ZFIVAXWYVWMYQP-UHFFFAOYSA-N 1 0 349.482 3.063 50 0 EGAARO Cc1ccncc1C(=O)NC[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067872563 215237044 /nfs/dbraw/zinc/23/70/44/215237044.db2.gz AJVFHWSXWIZNKA-MRXNPFEDSA-N 1 0 348.450 3.123 50 0 EGAARO Cc1ccccc1CNc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067856524 215233955 /nfs/dbraw/zinc/23/39/55/215233955.db2.gz ZDDHSWVQNVSKGT-UHFFFAOYSA-N 1 0 331.423 3.105 50 0 EGAARO Cc1cccc(C)c1NC(=O)NC[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000067885258 215240737 /nfs/dbraw/zinc/24/07/37/215240737.db2.gz REDLFJCSHKJITD-KRWDZBQOSA-N 1 0 345.487 3.316 50 0 EGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH2+]C[C@H]1C ZINC000067935054 215252914 /nfs/dbraw/zinc/25/29/14/215252914.db2.gz UHBLNOAGXRJEQQ-LLVKDONJSA-N 1 0 339.361 3.463 50 0 EGAARO C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1cc2c(cc1Cl)OCO2 ZINC000067966727 215262473 /nfs/dbraw/zinc/26/24/73/215262473.db2.gz TZRJBWGCDUBFTJ-LBPRGKRZSA-N 1 0 333.819 3.417 50 0 EGAARO Cc1cccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1 ZINC000041154153 213428601 /nfs/dbraw/zinc/42/86/01/213428601.db2.gz YKACGACWFMANST-UHFFFAOYSA-N 1 0 339.468 3.243 50 0 EGAARO CC[NH+](CC)CCNc1ncnc2sc3c(c21)CC(C)(C)OC3 ZINC000000550138 209660617 /nfs/dbraw/zinc/66/06/17/209660617.db2.gz LZBAIAHAFVQRPH-UHFFFAOYSA-N 1 0 334.489 3.296 50 0 EGAARO Cc1ccc(OCC(=O)N2CCC(CC[NH+]3CCCCC3)CC2)cc1 ZINC000032593539 212814172 /nfs/dbraw/zinc/81/41/72/212814172.db2.gz FJRMVFISJXNROR-UHFFFAOYSA-N 1 0 344.499 3.488 50 0 EGAARO O=C(COc1ccccc1)N1CCC(CC[NH+]2CCCCC2)CC1 ZINC000032593468 212813298 /nfs/dbraw/zinc/81/32/98/212813298.db2.gz JOKHYDSVBJXOPK-UHFFFAOYSA-N 1 0 330.472 3.180 50 0 EGAARO CC(C)c1nc(CCNC(=O)c2ccc([C@H]3CC[NH2+]C3)cc2)cs1 ZINC000072143920 216028677 /nfs/dbraw/zinc/02/86/77/216028677.db2.gz YRPAELYHSXAEDK-INIZCTEOSA-N 1 0 343.496 3.316 50 0 EGAARO COc1coc(C[N@@H+]2CCCC[C@@H]2CCc2cccc(O)c2)cc1=O ZINC000072154562 216044104 /nfs/dbraw/zinc/04/41/04/216044104.db2.gz HFDXYVNOCHBFCN-MRXNPFEDSA-N 1 0 343.423 3.341 50 0 EGAARO COCc1ncc(C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000072156036 216045820 /nfs/dbraw/zinc/04/58/20/216045820.db2.gz DCCUZHYPIHDPIU-OAHLLOKOSA-N 1 0 345.418 3.053 50 0 EGAARO O=S(=O)(N[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1)c1ccccc1 ZINC000072420990 216209493 /nfs/dbraw/zinc/20/94/93/216209493.db2.gz ZEQNEMVHWWTTFX-MSOLQXFVSA-N 1 0 336.501 3.198 50 0 EGAARO CC(C)CC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072425406 216216303 /nfs/dbraw/zinc/21/63/03/216216303.db2.gz SRVOVJRSWJLLGM-FQEVSTJZSA-N 1 0 329.488 3.332 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072433083 216227318 /nfs/dbraw/zinc/22/73/18/216227318.db2.gz HSUIMLYYFZOJEZ-QGZVFWFLSA-N 1 0 330.516 3.449 50 0 EGAARO Fc1ccc(-n2cc(CN3CCC[C@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000023374430 212372906 /nfs/dbraw/zinc/37/29/06/212372906.db2.gz AOXJRQLPXUQWLT-IBGZPJMESA-N 1 0 328.435 3.072 50 0 EGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000023282002 212366421 /nfs/dbraw/zinc/36/64/21/212366421.db2.gz BWYUKIDRIHUSNP-VEGGFIAOSA-N 1 0 330.472 3.289 50 0 EGAARO Cc1nccnc1C[N@@H+]1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000215162586 241111614 /nfs/dbraw/zinc/11/16/14/241111614.db2.gz HNIDBNJWGPFDRC-SESVDKBCSA-N 1 0 337.467 3.437 50 0 EGAARO Cc1ccccc1-c1cccc(CN2CCN3CC[N@@H+](C)C[C@@H]3C2)c1 ZINC000216011364 241159192 /nfs/dbraw/zinc/15/91/92/241159192.db2.gz LJZIALCJZPLFIH-OAQYLSRUSA-N 1 0 335.495 3.094 50 0 EGAARO CCOCc1cc(C[N@@H+]2CCC[C@H](c3noc(C)n3)C2)ccc1OC ZINC000216083375 241162482 /nfs/dbraw/zinc/16/24/82/241162482.db2.gz JYGUZSSAXVQXFG-INIZCTEOSA-N 1 0 345.443 3.303 50 0 EGAARO Cn1ccnc1CCC[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000216511830 241197905 /nfs/dbraw/zinc/19/79/05/241197905.db2.gz QFLFEFOUSGKJCO-UHFFFAOYSA-N 1 0 327.476 3.322 50 0 EGAARO C[N@@H+]1CCCC[C@H]1CC(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000216540053 241202122 /nfs/dbraw/zinc/20/21/22/241202122.db2.gz ZBOSEDDSKDIBFO-HNNXBMFYSA-N 1 0 328.378 3.239 50 0 EGAARO CCSc1ncc(CN2CCCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC000216530108 241202479 /nfs/dbraw/zinc/20/24/79/241202479.db2.gz XLRRGLGZNNRBIJ-UHFFFAOYSA-N 1 0 343.500 3.004 50 0 EGAARO COCC[C@H]1CN(Cc2cnn(-c3ccc(C(C)C)cc3)c2)CCO1 ZINC000215507393 241129926 /nfs/dbraw/zinc/12/99/26/241129926.db2.gz YYHSYMHOIOKTHJ-FQEVSTJZSA-N 1 0 343.471 3.233 50 0 EGAARO COc1ccc(CC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000021170633 212213686 /nfs/dbraw/zinc/21/36/86/212213686.db2.gz VILYNUIZCJDCIJ-LJQANCHMSA-N 1 0 344.499 3.495 50 0 EGAARO Cc1nc(CN(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cs1 ZINC000244774103 243078177 /nfs/dbraw/zinc/07/81/77/243078177.db2.gz POBYRTHWNMXDAF-IBGZPJMESA-N 1 0 345.512 3.174 50 0 EGAARO CC(C)CC[N@@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000020778222 212169354 /nfs/dbraw/zinc/16/93/54/212169354.db2.gz HLGFRBHRGSJQDM-FQEVSTJZSA-N 1 0 341.499 3.150 50 0 EGAARO c1ccc(-c2ccc(OCCC[NH2+]CCN3CCOCC3)cc2)cc1 ZINC000020482425 212137114 /nfs/dbraw/zinc/13/71/14/212137114.db2.gz BJIGOSMYWMFGRY-UHFFFAOYSA-N 1 0 340.467 3.044 50 0 EGAARO CN(C)CC[NH2+]CCCCOc1ccc(Br)cc1Cl ZINC000020418843 212126526 /nfs/dbraw/zinc/12/65/26/212126526.db2.gz PSSCDCRCNPGCCM-UHFFFAOYSA-N 1 0 349.700 3.413 50 0 EGAARO O=C(c1ccccc1)c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000020118430 212103331 /nfs/dbraw/zinc/10/33/31/212103331.db2.gz UCTKVLNQTQBZOA-UHFFFAOYSA-N 1 0 339.435 3.409 50 0 EGAARO COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000019901057 212080963 /nfs/dbraw/zinc/08/09/63/212080963.db2.gz SCFUYHDFSFQHID-FQEVSTJZSA-N 1 0 343.423 3.116 50 0 EGAARO C[C@H]1C[NH+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000019868146 212077529 /nfs/dbraw/zinc/07/75/29/212077529.db2.gz LOOLKABXCMMKJI-KBPBESRZSA-N 1 0 336.863 3.054 50 0 EGAARO CCn1c2ccccc2c2cc(C[NH2+]CCN3CCOCC3)ccc21 ZINC000019872294 212077584 /nfs/dbraw/zinc/07/75/84/212077584.db2.gz RPURJYMLAQFNOX-UHFFFAOYSA-N 1 0 337.467 3.236 50 0 EGAARO OCC[C@@H]1C[N@@H+](C2CCCCC2)CCN1Cc1ccc(F)c(F)c1 ZINC000019790915 212067742 /nfs/dbraw/zinc/06/77/42/212067742.db2.gz SZWCNOMDBIDZLG-QGZVFWFLSA-N 1 0 338.442 3.166 50 0 EGAARO COc1cccc([C@H](O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000049420890 214007264 /nfs/dbraw/zinc/00/72/64/214007264.db2.gz DQNOKUYLQNJXRI-LJQANCHMSA-N 1 0 346.858 3.204 50 0 EGAARO COc1cc2c(cc1C[NH2+][C@H]1CCOC3(CCOCC3)C1)CCC2 ZINC000082166247 217482690 /nfs/dbraw/zinc/48/26/90/217482690.db2.gz CNNNOYRKBDDGKQ-SFHVURJKSA-N 1 0 331.456 3.002 50 0 EGAARO Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cn1 ZINC000012453474 211387061 /nfs/dbraw/zinc/38/70/61/211387061.db2.gz CSQHVKRJAQLYKC-FQEVSTJZSA-N 1 0 337.467 3.217 50 0 EGAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)c(C)o1 ZINC000012442223 211383400 /nfs/dbraw/zinc/38/34/00/211383400.db2.gz AANGVJPSFAEHHA-SFHVURJKSA-N 1 0 326.440 3.333 50 0 EGAARO COc1ccccc1C[N@H+]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000012183677 211312205 /nfs/dbraw/zinc/31/22/05/211312205.db2.gz AWUSPAWUCGVYLO-UHFFFAOYSA-N 1 0 342.414 3.069 50 0 EGAARO O=C(CCc1ccco1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012203563 211320530 /nfs/dbraw/zinc/32/05/30/211320530.db2.gz HPJQFRGJHTUXGU-SFHVURJKSA-N 1 0 326.440 3.036 50 0 EGAARO CCOc1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)c1 ZINC000012209201 211320580 /nfs/dbraw/zinc/32/05/80/211320580.db2.gz IFBHUGVFEWBZFX-INIZCTEOSA-N 1 0 330.472 3.356 50 0 EGAARO CCC[NH+]1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 ZINC000012005319 211278902 /nfs/dbraw/zinc/27/89/02/211278902.db2.gz VACSIGBSCSCEJL-UHFFFAOYSA-N 1 0 346.471 3.184 50 0 EGAARO CCC(=O)NC[C@H](C)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000011880893 211265098 /nfs/dbraw/zinc/26/50/98/211265098.db2.gz QOYXBVDPSYBGPI-HNNXBMFYSA-N 1 0 330.428 3.205 50 0 EGAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(C)c1 ZINC000091486693 218013290 /nfs/dbraw/zinc/01/32/90/218013290.db2.gz JJVJHYAZVFQXOO-UHFFFAOYSA-N 1 0 342.483 3.371 50 0 EGAARO FC(F)(F)c1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cn1 ZINC000091536527 218019328 /nfs/dbraw/zinc/01/93/28/218019328.db2.gz PVPYFSKDTHNKLD-JKSUJKDBSA-N 1 0 339.405 3.407 50 0 EGAARO CCOc1ccccc1NC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091651601 218041518 /nfs/dbraw/zinc/04/15/18/218041518.db2.gz MUWJYTPCVNBJPH-IAGOWNOFSA-N 1 0 343.471 3.423 50 0 EGAARO COc1cccc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 ZINC000091677266 218045495 /nfs/dbraw/zinc/04/54/95/218045495.db2.gz FVOUJIVIBXHLFR-UHFFFAOYSA-N 1 0 342.483 3.310 50 0 EGAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccncc2)C1 ZINC000011665453 211231989 /nfs/dbraw/zinc/23/19/89/211231989.db2.gz UAHLWUCQZFMPGH-NRFANRHFSA-N 1 0 338.451 3.470 50 0 EGAARO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc(C)cc1 ZINC000010544234 211180750 /nfs/dbraw/zinc/18/07/50/211180750.db2.gz VCCIDYVNTMJLPZ-GOSISDBHSA-N 1 0 338.517 3.069 50 0 EGAARO NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010362003 211167422 /nfs/dbraw/zinc/16/74/22/211167422.db2.gz XIZRLVQPBQDLFR-UHFFFAOYSA-N 1 0 337.423 3.024 50 0 EGAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](CCc1ccccc1)CC2 ZINC000095355174 218289840 /nfs/dbraw/zinc/28/98/40/218289840.db2.gz WTKPEXJSLMDWMA-HXUWFJFHSA-N 1 0 334.463 3.367 50 0 EGAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccc(-c3ccco3)c1)C2 ZINC000095371512 218304045 /nfs/dbraw/zinc/30/40/45/218304045.db2.gz OOWHTPIJNAIGNQ-AZUAARDMSA-N 1 0 340.467 3.489 50 0 EGAARO O=C([O-])CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095374009 218306932 /nfs/dbraw/zinc/30/69/32/218306932.db2.gz QAEMIWYRZTUKHV-GOSISDBHSA-N 1 0 342.483 3.195 50 0 EGAARO Cc1ccc2[nH]c([C@H](C)NC(=O)C3CC[NH+](C(C)C)CC3)nc2c1 ZINC000095384795 218317166 /nfs/dbraw/zinc/31/71/66/218317166.db2.gz ZDXWKOJCSAMBRB-AWEZNQCLSA-N 1 0 328.460 3.169 50 0 EGAARO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C1CCOCC1 ZINC000097347270 219014073 /nfs/dbraw/zinc/01/40/73/219014073.db2.gz HBEYBXUPAJQRDM-QGZVFWFLSA-N 1 0 336.863 3.020 50 0 EGAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCc1cnc2c(c1)CCC2 ZINC000426707343 257957573 /nfs/dbraw/zinc/95/75/73/257957573.db2.gz DHEQJLMSFKXRTP-FXAWDEMLSA-N 1 0 341.499 3.231 50 0 EGAARO CO[C@]12CC[N@H+](Cc3c(C)noc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299771575 258083936 /nfs/dbraw/zinc/08/39/36/258083936.db2.gz RBPGDJZLCURLMQ-NZSAHSFTSA-N 1 0 334.460 3.230 50 0 EGAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCCC[C@@H]1CCOC1 ZINC000299787360 258094328 /nfs/dbraw/zinc/09/43/28/258094328.db2.gz QETJONPNZPVNRW-HXUWFJFHSA-N 1 0 344.499 3.222 50 0 EGAARO COc1cc(C)ccc1OCC[N@H+]1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000299792048 258097256 /nfs/dbraw/zinc/09/72/56/258097256.db2.gz DZQZNKRGOLGLFK-LSTHTHJFSA-N 1 0 349.471 3.041 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1cccnc1)Cc1cccc(-n2cccn2)c1 ZINC000055061151 258061294 /nfs/dbraw/zinc/06/12/94/258061294.db2.gz XZWIGPKYVXGOAY-IBGZPJMESA-N 1 0 336.439 3.040 50 0 EGAARO O=C1CC[C@H](CC[NH2+]Cc2cccnc2)N1Cc1ccc(Cl)s1 ZINC000299760643 258077998 /nfs/dbraw/zinc/07/79/98/258077998.db2.gz IQPXRLMBHZLNJP-CQSZACIVSA-N 1 0 349.887 3.467 50 0 EGAARO C[C@H](CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccncc1)c1ccccc1 ZINC000299768092 258082294 /nfs/dbraw/zinc/08/22/94/258082294.db2.gz HPSGXTHVEIEWBA-YLJYHZDGSA-N 1 0 337.467 3.356 50 0 EGAARO COCCn1cncc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000243892635 274041129 /nfs/dbraw/zinc/04/11/29/274041129.db2.gz AJUUCXIOKXICNN-UHFFFAOYSA-N 1 0 325.456 3.010 50 0 EGAARO C[NH2+]CC(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071746163 277263777 /nfs/dbraw/zinc/26/37/77/277263777.db2.gz FQLZCZUAIFOJMC-CYBMUJFWSA-N 1 0 328.378 3.096 50 0 EGAARO Cc1nc(C(F)(F)F)nc(-c2cc(F)cc3c2O[C@H](C[NH3+])C3)c1C ZINC000067643783 279073317 /nfs/dbraw/zinc/07/33/17/279073317.db2.gz VQVCBHURVWMEPQ-NSHDSACASA-N 1 0 341.308 3.181 50 0 EGAARO CCN(CC[NH+]1CCCCCC1)Cc1cnc(N2CCCC2)s1 ZINC000097773003 279188239 /nfs/dbraw/zinc/18/82/39/279188239.db2.gz SHDKWBCVHPQWOQ-UHFFFAOYSA-N 1 0 336.549 3.441 50 0 EGAARO Cc1cnc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000077287467 292872145 /nfs/dbraw/zinc/87/21/45/292872145.db2.gz JBJQJYPHXCTVGN-LJQANCHMSA-N 1 0 338.455 3.214 50 0 EGAARO CCC[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1[NH+](C)C ZINC000082147190 453927155 /nfs/dbraw/zinc/92/71/55/453927155.db2.gz XRJBJMRKVWCQAV-MLGOLLRUSA-N 1 0 326.843 3.210 50 0 EGAARO CC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@H](C)O ZINC000529596057 313364409 /nfs/dbraw/zinc/36/44/09/313364409.db2.gz NTYANPFIRDBYSW-WCBMZHEXSA-N 1 0 344.278 3.150 50 0 EGAARO CC[NH+](CC)C[C@@H](O)Cn1c2ccc(C)cc2c2c1C(=O)CCC2 ZINC000000074824 452501111 /nfs/dbraw/zinc/50/11/11/452501111.db2.gz JDAXYMGPQSIKGJ-OAHLLOKOSA-N 1 0 328.456 3.171 50 0 EGAARO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1C ZINC000000098592 452506474 /nfs/dbraw/zinc/50/64/74/452506474.db2.gz LMBQFKLPVFUKAT-KRWDZBQOSA-N 1 0 339.459 3.167 50 0 EGAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+][C@H](C)CC)CCCC2 ZINC000000131695 452515104 /nfs/dbraw/zinc/51/51/04/452515104.db2.gz DJSCEFCXOPIKHJ-LLVKDONJSA-N 1 0 338.473 3.130 50 0 EGAARO COc1ccccc1N(C(=O)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000000173295 452526980 /nfs/dbraw/zinc/52/69/80/452526980.db2.gz CSINAVXIEJWVFT-IBGZPJMESA-N 1 0 336.435 3.436 50 0 EGAARO CCOC(=O)c1cc(CC)sc1NC(=O)CC[NH2+]C(C)(C)C ZINC000000247910 452546296 /nfs/dbraw/zinc/54/62/96/452546296.db2.gz CDHLMWRGCCZJAB-UHFFFAOYSA-N 1 0 326.462 3.204 50 0 EGAARO C[N@H+](CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000001899878 452680381 /nfs/dbraw/zinc/68/03/81/452680381.db2.gz AYAGMQGKUOLJDA-UHFFFAOYSA-N 1 0 341.451 3.196 50 0 EGAARO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2)cc1OC ZINC000002734517 452718951 /nfs/dbraw/zinc/71/89/51/452718951.db2.gz TWNILEJSESZZDB-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 biogenic EGAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000002793169 452724583 /nfs/dbraw/zinc/72/45/83/452724583.db2.gz SPBUKKYCEGEMTD-BBRMVZONSA-N 1 0 346.381 3.035 50 0 EGAARO C[C@@H]1CCc2sc3nc(SCC[NH+](C)C)n4ncnc4c3c2C1 ZINC000005533169 452882674 /nfs/dbraw/zinc/88/26/74/452882674.db2.gz FJDPGNXRIHXBHU-SNVBAGLBSA-N 1 0 347.513 3.118 50 0 EGAARO O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000005704792 452897902 /nfs/dbraw/zinc/89/79/02/452897902.db2.gz IXUBLVAJXDKJJH-INIZCTEOSA-N 1 0 332.831 3.429 50 0 EGAARO CC[NH+](CC)CCOC(=O)[C@](O)(c1cccs1)C1CCCC1 ZINC000005847734 452905316 /nfs/dbraw/zinc/90/53/16/452905316.db2.gz ASXBIKGZCPZCAN-QGZVFWFLSA-N 1 0 325.474 3.011 50 0 EGAARO O=c1cc(N2CC[NH+](CCc3ccccc3)CC2)c2ccccc2o1 ZINC000006222988 452927697 /nfs/dbraw/zinc/92/76/97/452927697.db2.gz KHLUWHSELMQXSO-UHFFFAOYSA-N 1 0 334.419 3.158 50 0 EGAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccn2)N3)C1 ZINC000006417153 452942770 /nfs/dbraw/zinc/94/27/70/452942770.db2.gz BQBZZLKSTOEYMF-OAHLLOKOSA-N 1 0 328.441 3.339 50 0 EGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCCOc2ccccc2OC)C1 ZINC000006701280 452971783 /nfs/dbraw/zinc/97/17/83/452971783.db2.gz YGMAVTIVYJHKGI-INIZCTEOSA-N 1 0 335.444 3.129 50 0 EGAARO CC[NH+](CC)CCCNc1cc(C)nc2c3c(nn21)nc(C)cc3C ZINC000006759543 452984295 /nfs/dbraw/zinc/98/42/95/452984295.db2.gz QZJQBHQGTYZJDT-UHFFFAOYSA-N 1 0 340.475 3.347 50 0 EGAARO CCc1ccc2[nH]c(C)c(C[N@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008714154 453225864 /nfs/dbraw/zinc/22/58/64/453225864.db2.gz VXJVUTWEOJXKPQ-UHFFFAOYSA-N 1 0 327.472 3.337 50 0 EGAARO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccn3)CC2)cc1C ZINC000012444878 453361888 /nfs/dbraw/zinc/36/18/88/453361888.db2.gz IJGWBLPQNWAUHS-UHFFFAOYSA-N 1 0 347.466 3.411 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)c2cc(Br)cs2)CC1 ZINC000013326398 453458187 /nfs/dbraw/zinc/45/81/87/453458187.db2.gz JKXDDMHBPPINDC-UHFFFAOYSA-N 1 0 331.279 3.113 50 0 EGAARO CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCC[N@H+](C)CC1 ZINC000015952190 453589331 /nfs/dbraw/zinc/58/93/31/453589331.db2.gz ZYDJWEGWPUUQER-CQSZACIVSA-N 1 0 345.270 3.315 50 0 EGAARO COc1ccc(OC)c(NC(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000016622122 453616195 /nfs/dbraw/zinc/61/61/95/453616195.db2.gz HZGRWIJCHDADGU-AWEZNQCLSA-N 1 0 347.459 3.090 50 0 EGAARO CC(C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000016648520 453618303 /nfs/dbraw/zinc/61/83/03/453618303.db2.gz XGYHOSNZNRHYPH-UHFFFAOYSA-N 1 0 328.460 3.400 50 0 EGAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000020405585 453665136 /nfs/dbraw/zinc/66/51/36/453665136.db2.gz VDADREBHJMMWAG-UHFFFAOYSA-N 1 0 330.435 3.388 50 0 EGAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020536241 453666151 /nfs/dbraw/zinc/66/61/51/453666151.db2.gz LAPBFFNKCXHAGV-HLEHRXSFSA-N 1 0 331.479 3.378 50 0 EGAARO O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccccn2)CC1 ZINC000020534373 453666512 /nfs/dbraw/zinc/66/65/12/453666512.db2.gz LUROZTXMGPQWCD-UHFFFAOYSA-N 1 0 334.782 3.228 50 0 EGAARO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1nc(-c2ccccc2)ns1 ZINC000032519484 453877029 /nfs/dbraw/zinc/87/70/29/453877029.db2.gz VBWMXPHAGIZCQK-UHFFFAOYSA-N 1 0 345.472 3.201 50 0 EGAARO Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c2ccc(C)c(C)c2n1 ZINC000077408355 454102783 /nfs/dbraw/zinc/10/27/83/454102783.db2.gz TZHDWMSMIRKMJF-DLBZAZTESA-N 1 0 337.467 3.469 50 0 EGAARO CC[C@@H]1C[N@H+](CCc2cscn2)CCC(=O)N1Cc1ccccc1 ZINC000071589471 454209416 /nfs/dbraw/zinc/20/94/16/454209416.db2.gz YYOKFLQMCATSHD-GOSISDBHSA-N 1 0 343.496 3.199 50 0 EGAARO [NH3+]C1(C(=O)N2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000071735677 454211500 /nfs/dbraw/zinc/21/15/00/454211500.db2.gz KKHINCAFZICUNW-CQSZACIVSA-N 1 0 340.389 3.368 50 0 EGAARO CC(C)c1nccc(C[N@@H+]2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)n1 ZINC000071747911 454212670 /nfs/dbraw/zinc/21/26/70/454212670.db2.gz BKIVQGMBMSFAJE-GOSISDBHSA-N 1 0 344.503 3.069 50 0 EGAARO CCOc1ncccc1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071750579 454213395 /nfs/dbraw/zinc/21/33/95/454213395.db2.gz XVFKOFONLWJEBT-GOSISDBHSA-N 1 0 345.487 3.063 50 0 EGAARO Cc1ccc2nc(C)c(C)c(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000095498300 454221940 /nfs/dbraw/zinc/22/19/40/454221940.db2.gz YOSJTAISBKWIBF-KRWDZBQOSA-N 1 0 337.467 3.470 50 0 EGAARO C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H](O)c1ccccc1 ZINC000095502181 454222918 /nfs/dbraw/zinc/22/29/18/454222918.db2.gz CQYZUMMWKBFYND-NEOGFGCTSA-N 1 0 344.499 3.269 50 0 EGAARO Cc1c[nH+]ccc1N1CCC(c2nccn2Cc2cccnc2)CC1 ZINC000095509820 454224992 /nfs/dbraw/zinc/22/49/92/454224992.db2.gz SFMYWPAHGHAONY-UHFFFAOYSA-N 1 0 333.439 3.414 50 0 EGAARO Cc1[nH]c2c(cccc2C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)c1C ZINC000096166721 454296484 /nfs/dbraw/zinc/29/64/84/454296484.db2.gz FFATUVYNJOQZPL-CYBMUJFWSA-N 1 0 325.456 3.484 50 0 EGAARO COCC[N@@H+]1CC[C@H](CN(C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076838 454400479 /nfs/dbraw/zinc/40/04/79/454400479.db2.gz SEULYVMTCKCLLK-CYBMUJFWSA-N 1 0 331.287 3.394 50 0 EGAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](Cc2ccc(CO)cc2)C1 ZINC000091288714 454422924 /nfs/dbraw/zinc/42/29/24/454422924.db2.gz QBDIKQQXUIRGHD-INIZCTEOSA-N 1 0 347.890 3.193 50 0 EGAARO O=C(NCC1=CCC[N@H+](Cc2ccc3ccccc3n2)C1)c1ccco1 ZINC000065373581 454554843 /nfs/dbraw/zinc/55/48/43/454554843.db2.gz BTJRBGONTQSXSK-UHFFFAOYSA-N 1 0 347.418 3.390 50 0 EGAARO Cc1cccc2c1nc(CCO)n2-c1cccc(C[NH+]2CCCC2)c1 ZINC000065387428 454557612 /nfs/dbraw/zinc/55/76/12/454557612.db2.gz OVPHRTSXVXPFMR-UHFFFAOYSA-N 1 0 335.451 3.465 50 0 EGAARO Cc1nc2c(c(NCc3csc4c3CCCC4)n1)CC[NH2+]CC2 ZINC000065396657 454558994 /nfs/dbraw/zinc/55/89/94/454558994.db2.gz FHKVSZHBOBAPCB-UHFFFAOYSA-N 1 0 328.485 3.026 50 0 EGAARO Cc1cnc(-n2cnnc2)c(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1 ZINC000065454914 454570490 /nfs/dbraw/zinc/57/04/90/454570490.db2.gz AVUXDAAJDIIDHM-INIZCTEOSA-N 1 0 349.438 3.031 50 0 EGAARO CCN(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299764285 456780971 /nfs/dbraw/zinc/78/09/71/456780971.db2.gz ZDEQEIHQLYENEV-BBWFWOEESA-N 1 0 326.444 3.214 50 0 EGAARO CC1(C)CC(CC(=O)NCc2ccc3[nH]cnc3c2)CC(C)(C)[NH2+]1 ZINC000426359546 457810198 /nfs/dbraw/zinc/81/01/98/457810198.db2.gz DALCNAXLCCJEER-UHFFFAOYSA-N 1 0 328.460 3.126 50 0 EGAARO Cc1nn(CCC(N)=O)c(C)c1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426368379 457812227 /nfs/dbraw/zinc/81/22/27/457812227.db2.gz XJRZSPFNHWQUCS-OAHLLOKOSA-N 1 0 340.471 3.199 50 0 EGAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1cc(Cl)c[nH]1 ZINC000426477316 457839296 /nfs/dbraw/zinc/83/92/96/457839296.db2.gz BPPFPKXIJRYLMH-OAHLLOKOSA-N 1 0 331.847 3.278 50 0 EGAARO Cc1cc(-c2ccc(C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)ccc1Cl ZINC000426538453 457851712 /nfs/dbraw/zinc/85/17/12/457851712.db2.gz OVJXSNAQTZCPJY-KRWDZBQOSA-N 1 0 344.842 3.115 50 0 EGAARO Cc1ccc2[nH]c(CN(C)C(=O)CC[C@@H](C)[NH+]3CCCC3)nc2c1 ZINC000426597455 457860091 /nfs/dbraw/zinc/86/00/91/457860091.db2.gz VYSMVGYTOVKDLN-OAHLLOKOSA-N 1 0 328.460 3.094 50 0 EGAARO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(-c2ccc(OC(F)F)cc2)cc1 ZINC000534577213 459333706 /nfs/dbraw/zinc/33/37/06/459333706.db2.gz QVXRKIMFQIPBAJ-INIZCTEOSA-N 1 0 346.377 3.437 50 0 EGAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000585135068 459827809 /nfs/dbraw/zinc/82/78/09/459827809.db2.gz WGSTZKIDSFQUSP-HNNXBMFYSA-N 1 0 346.438 3.276 50 0 EGAARO Cc1nnsc1C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575618694 459986397 /nfs/dbraw/zinc/98/63/97/459986397.db2.gz BAMAYWSYQJISFB-ZDUSSCGKSA-N 1 0 346.481 3.094 50 0 EGAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc(OCc2cccs2)c1 ZINC000299763469 527060852 /nfs/dbraw/zinc/06/08/52/527060852.db2.gz NNMPAWIMLYQVRW-KRWDZBQOSA-N 1 0 330.453 3.085 50 0 EGAARO CN(Cc1cc(C[NH+](C)C)cs1)Cc1nc2cc(F)ccc2[nH]1 ZINC000215198906 536060581 /nfs/dbraw/zinc/06/05/81/536060581.db2.gz CHKNZACUPGDCDL-UHFFFAOYSA-N 1 0 332.448 3.457 50 0 EGAARO COc1ccc(-c2ccc(C[N@H+](C)CCc3cnn(C)c3)o2)cc1 ZINC000215559727 536895835 /nfs/dbraw/zinc/89/58/35/536895835.db2.gz HYAUKOMJHXLEHE-UHFFFAOYSA-N 1 0 325.412 3.363 50 0 EGAARO COC[C@@H]1CCC[N@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000670443405 548215470 /nfs/dbraw/zinc/21/54/70/548215470.db2.gz WINJHDUZXWALNW-OAHLLOKOSA-N 1 0 327.428 3.052 50 0 EGAARO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)oc1C ZINC000685941104 550456320 /nfs/dbraw/zinc/45/63/20/550456320.db2.gz RDDJHOWKVONPRG-KSSFIOAISA-N 1 0 328.416 3.106 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2CCCO)cc1F ZINC000012316749 1291132025 /nfs/dbraw/zinc/13/20/25/1291132025.db2.gz CFPWCHGSKOFOAJ-INIZCTEOSA-N 1 0 347.434 3.351 50 0 EGAARO CC(C)C1=NO[C@H](C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)C1 ZINC000827791948 1292374126 /nfs/dbraw/zinc/37/41/26/1292374126.db2.gz KJMDCLIZPKVAHG-KRWDZBQOSA-N 1 0 335.492 3.092 50 0 EGAARO Cc1nn(C)c2nc(NC[C@H](c3cccc(C)c3)[NH+](C)C)sc12 ZINC000096139199 1292949025 /nfs/dbraw/zinc/94/90/25/1292949025.db2.gz ATHPFYVEHPLNDR-CQSZACIVSA-N 1 0 329.473 3.361 50 0 EGAARO CC(C)(C)c1ccc(=O)n(CC2CC[NH+](CC3CCCC3)CC2)n1 ZINC000585499998 1298041073 /nfs/dbraw/zinc/04/10/73/1298041073.db2.gz VOWZXXUPOOJYLM-UHFFFAOYSA-N 1 0 331.504 3.443 50 0 EGAARO O=C(CCc1c[nH]c2ccccc12)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888090775 1304031783 /nfs/dbraw/zinc/03/17/83/1304031783.db2.gz UGLTXFFWLKQRNL-XLIONFOSSA-N 1 0 339.483 3.481 50 0 EGAARO COc1ccc(/C=C/C[NH2+][C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000952968084 1334626881 /nfs/dbraw/zinc/62/68/81/1334626881.db2.gz JLWZBBDZTRPDGG-RTZWDOBSSA-N 1 0 340.423 3.196 50 0 EGAARO Cc1nn(C)c(C)c1C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000952975287 1334628461 /nfs/dbraw/zinc/62/84/61/1334628461.db2.gz STPAQPFESBUCGH-UHFFFAOYSA-N 1 0 336.439 3.455 50 0 EGAARO CN(C)c1ccc(CCNC(=O)C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000952980233 1334629186 /nfs/dbraw/zinc/62/91/86/1334629186.db2.gz WMUKAAHOWTZYBT-UHFFFAOYSA-N 1 0 343.515 3.210 50 0 EGAARO O=C(CCCN1CCCC1=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000952981976 1334629725 /nfs/dbraw/zinc/62/97/25/1334629725.db2.gz WZVDQPCSAJRACZ-UHFFFAOYSA-N 1 0 343.471 3.014 50 0 EGAARO CCc1nc2cc(NC(=O)[C@H]([NH3+])Cc3ccccc3)ccc2n1CC ZINC000952988366 1334631236 /nfs/dbraw/zinc/63/12/36/1334631236.db2.gz LIOKFUAGCCGSNR-MRXNPFEDSA-N 1 0 336.439 3.127 50 0 EGAARO c1ccc2c(c1)[nH]c1c2CCOC12CC[NH+](Cc1cncnc1)CC2 ZINC001704301295 1416432692 /nfs/dbraw/zinc/43/26/92/1416432692.db2.gz UBLSWGYLZWSSKD-UHFFFAOYSA-N 1 0 334.423 3.022 50 0 EGAARO O[C@@H]1CCC[C@]12CCC[N@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001704296981 1416433109 /nfs/dbraw/zinc/43/31/09/1416433109.db2.gz BANKRPSCBLUAHO-HZPDHXFCSA-N 1 0 325.355 3.135 50 0 EGAARO CCOc1ccc(C[N@@H+]2CCC[C@]3(CCC[C@H]3OC)C2)cc1CO ZINC001704298895 1416433131 /nfs/dbraw/zinc/43/31/31/1416433131.db2.gz OGBIDSTXHMPPTH-WOJBJXKFSA-N 1 0 333.472 3.359 50 0 EGAARO OC1(c2ccccc2)CC[NH+](C[C@H]2CC(c3ccccc3)=NO2)CC1 ZINC001704353701 1416453685 /nfs/dbraw/zinc/45/36/85/1416453685.db2.gz ISFSIPBZKQVUOB-LJQANCHMSA-N 1 0 336.435 3.163 50 0 EGAARO Cc1ncc(Cl)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC001772711310 1441417329 /nfs/dbraw/zinc/41/73/29/1441417329.db2.gz BBBKCVCKGDQMDC-INIZCTEOSA-N 1 0 346.862 3.141 50 0 EGAARO CCC[N@@H+]1C[C@H]2CN(c3cnccn3)C[C@]2(CCc2ccccc2)C1 ZINC001772806181 1441417412 /nfs/dbraw/zinc/41/74/12/1441417412.db2.gz VHMNLVDVYMDDJV-FPOVZHCZSA-N 1 0 336.483 3.258 50 0 EGAARO COc1cccc(OC)c1C[NH+]1CCC(c2cc[nH]c(=O)c2)CC1 ZINC001772814308 1441417726 /nfs/dbraw/zinc/41/77/26/1441417726.db2.gz SCWYZLLSTYSSDB-UHFFFAOYSA-N 1 0 328.412 3.184 50 0 EGAARO CN(C(=O)c1cnc2c(c1)CCCC2)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097631936 219042873 /nfs/dbraw/zinc/04/28/73/219042873.db2.gz KBNPNDIQAQCPMC-FQEVSTJZSA-N 1 0 337.467 3.335 50 0 EGAARO O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368386457 168349506 /nfs/dbraw/zinc/34/95/06/168349506.db2.gz XMWLUNLEXQVNRQ-ROUUACIJSA-N 1 0 326.415 3.025 50 0 EGAARO COCC[NH2+]Cc1nc(-c2cccc(Br)c2)cs1 ZINC000053296184 214174877 /nfs/dbraw/zinc/17/48/77/214174877.db2.gz RFFINDRNHRWEDY-UHFFFAOYSA-N 1 0 327.247 3.309 50 0 EGAARO Fc1ccc(-n2cccn2)c(C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000097733039 219052695 /nfs/dbraw/zinc/05/26/95/219052695.db2.gz GACZCSUIHLYLOK-UHFFFAOYSA-N 1 0 337.402 3.181 50 0 EGAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2cc(CCCO)nn2)CC1 ZINC000055107891 214273773 /nfs/dbraw/zinc/27/37/73/214273773.db2.gz SMSCSJIKFKYIQC-KRWDZBQOSA-N 1 0 334.508 3.222 50 0 EGAARO C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)Oc1cccnc1 ZINC000055053311 214267974 /nfs/dbraw/zinc/26/79/74/214267974.db2.gz HNIJBOFETHNSBU-CYBMUJFWSA-N 1 0 326.375 3.168 50 0 EGAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000097775656 219056863 /nfs/dbraw/zinc/05/68/63/219056863.db2.gz RRLJHKCAWBIPNP-AWEZNQCLSA-N 1 0 332.341 3.335 50 0 EGAARO C[C@@H]([NH2+]CCC(=O)Nc1nccs1)c1ccccc1-n1cccn1 ZINC000065393609 214886227 /nfs/dbraw/zinc/88/62/27/214886227.db2.gz ZUQAEFWXSWULDF-CYBMUJFWSA-N 1 0 341.440 3.008 50 0 EGAARO Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2C[C@H]2CCC[NH2+]2)n1 ZINC000065453872 214914253 /nfs/dbraw/zinc/91/42/53/214914253.db2.gz WVWZTCGSQMDROM-LJQANCHMSA-N 1 0 349.482 3.358 50 0 EGAARO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2F)C1)c1ccncc1Cl ZINC000067472730 215150533 /nfs/dbraw/zinc/15/05/33/215150533.db2.gz ZGDVOBVOHMQELQ-CYBMUJFWSA-N 1 0 347.821 3.126 50 0 EGAARO Cc1ccccc1CNc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000067539950 215158994 /nfs/dbraw/zinc/15/89/94/215158994.db2.gz RMQYPCXWPXVWPO-UHFFFAOYSA-N 1 0 331.423 3.105 50 0 EGAARO Cc1ccc([C@H]2c3[nH]cnc3CCN2CC(C)(C)C[NH+](C)C)cc1 ZINC000067673931 215178589 /nfs/dbraw/zinc/17/85/89/215178589.db2.gz SMTNSLAAEMRSAV-IBGZPJMESA-N 1 0 326.488 3.253 50 0 EGAARO Cc1ncc(CO)c(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)c1O ZINC000067675008 215180320 /nfs/dbraw/zinc/18/03/20/215180320.db2.gz KWUWWQLMNYPNPV-SFHVURJKSA-N 1 0 330.403 3.454 50 0 EGAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@H]1CC[NH2+]C1)CCO2 ZINC000067689055 215185766 /nfs/dbraw/zinc/18/57/66/215185766.db2.gz SUYVXVHLPBSHRL-INIZCTEOSA-N 1 0 338.451 3.172 50 0 EGAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1c[nH]nc1-c1cccs1 ZINC000067756796 215205204 /nfs/dbraw/zinc/20/52/04/215205204.db2.gz RBMXDDSZQDHDQE-AWEZNQCLSA-N 1 0 332.473 3.019 50 0 EGAARO CCC[NH+]1CCC(CC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)CC1 ZINC000067851313 215231799 /nfs/dbraw/zinc/23/17/99/215231799.db2.gz AQSNODPKRBQFTK-UHFFFAOYSA-N 1 0 344.503 3.128 50 0 EGAARO Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)[nH]1 ZINC000067834051 215225123 /nfs/dbraw/zinc/22/51/23/215225123.db2.gz FSBZKMGZSZGEAC-LJQANCHMSA-N 1 0 348.491 3.189 50 0 EGAARO c1ccc(C[N@H+]2CC[C@@H](NCc3noc(C4CCCC4)n3)C2)cc1 ZINC000067921342 215251374 /nfs/dbraw/zinc/25/13/74/215251374.db2.gz SLURSUDLEZQUIU-QGZVFWFLSA-N 1 0 326.444 3.091 50 0 EGAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC(CNC(=O)C(C)C)CC1 ZINC000067935455 215254981 /nfs/dbraw/zinc/25/49/81/215254981.db2.gz VTAPZOZQBYHYRU-UHFFFAOYSA-N 1 0 327.472 3.461 50 0 EGAARO Cc1nc(C[NH2+][C@H](C)COc2ccc3ccc(=O)oc3c2)cs1 ZINC000067982175 215266417 /nfs/dbraw/zinc/26/64/17/215266417.db2.gz GQSSPTBVLJWYLD-LLVKDONJSA-N 1 0 330.409 3.115 50 0 EGAARO Cc1nn2c(nc3c(c2NCC[NH+](C)C)CCC3)c1-c1ccccc1 ZINC000002230711 209831691 /nfs/dbraw/zinc/83/16/91/209831691.db2.gz PPZRHAJXQSFCHD-UHFFFAOYSA-N 1 0 335.455 3.167 50 0 EGAARO CCOc1ccccc1CN1CC[N@@H+](C2CCCCC2)C[C@H]1CCO ZINC000104465593 219388687 /nfs/dbraw/zinc/38/86/87/219388687.db2.gz VXOXCYAPUDDVOF-HXUWFJFHSA-N 1 0 346.515 3.287 50 0 EGAARO CC(C)[N@@H+]1CCN(Cc2cccc(-c3ccco3)c2)C[C@H]1CCO ZINC000104503905 219392026 /nfs/dbraw/zinc/39/20/26/219392026.db2.gz RVDYIGTWGYRGGN-LJQANCHMSA-N 1 0 328.456 3.224 50 0 EGAARO C[C@H](CCc1ccccc1)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000069373921 215392557 /nfs/dbraw/zinc/39/25/57/215392557.db2.gz PZNQNDFBUSHNOA-QGZVFWFLSA-N 1 0 327.472 3.076 50 0 EGAARO CCNc1cc(NCCNC(=O)Nc2cccc(C)c2C)nc(C)[nH+]1 ZINC000036708111 213111872 /nfs/dbraw/zinc/11/18/72/213111872.db2.gz MKJHDGFFXQTGLB-UHFFFAOYSA-N 1 0 342.447 3.067 50 0 EGAARO C[NH+](C)CCNC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1 ZINC000036366974 213090346 /nfs/dbraw/zinc/09/03/46/213090346.db2.gz NBWDZVUFVPHUIC-UHFFFAOYSA-N 1 0 345.830 3.227 50 0 EGAARO CC(C)(C)c1cc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)[nH]n1 ZINC000072140087 216026544 /nfs/dbraw/zinc/02/65/44/216026544.db2.gz LQZLHWZNWNSLSA-FQEVSTJZSA-N 1 0 338.455 3.193 50 0 EGAARO CN(Cc1cc2n(n1)CC[NH2+]C2)Cc1ccc(Oc2ccccc2)cc1 ZINC000072134580 216024094 /nfs/dbraw/zinc/02/40/94/216024094.db2.gz GCXLTYGXILDPJG-UHFFFAOYSA-N 1 0 348.450 3.411 50 0 EGAARO O=C(CCc1ccc(F)c(F)c1)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072137427 216025470 /nfs/dbraw/zinc/02/54/70/216025470.db2.gz OSADFNSQRKSXTO-MSOLQXFVSA-N 1 0 336.426 3.467 50 0 EGAARO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@@]2(CN(C)C(=O)O2)CC1 ZINC000072151949 216041179 /nfs/dbraw/zinc/04/11/79/216041179.db2.gz IFPCKGLKTQUEEX-FQEVSTJZSA-N 1 0 341.455 3.468 50 0 EGAARO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072151948 216041329 /nfs/dbraw/zinc/04/13/29/216041329.db2.gz IFPCKGLKTQUEEX-HXUWFJFHSA-N 1 0 341.455 3.468 50 0 EGAARO Cc1cccc(C[NH+]2CCN(Cc3ccnn3-c3ccccc3)CC2)c1 ZINC000072147423 216035775 /nfs/dbraw/zinc/03/57/75/216035775.db2.gz VXJRVPGKDWGWQJ-UHFFFAOYSA-N 1 0 346.478 3.499 50 0 EGAARO FC(F)Oc1cccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC000072149068 216036139 /nfs/dbraw/zinc/03/61/39/216036139.db2.gz UVEUUJULRRJCJY-UHFFFAOYSA-N 1 0 347.409 3.391 50 0 EGAARO O=C(CC[N@H+]1CCC[C@@H](CCc2ccccc2F)C1)N1CCCC1 ZINC000072156646 216045211 /nfs/dbraw/zinc/04/52/11/216045211.db2.gz OIYBLNPCUGYSBK-KRWDZBQOSA-N 1 0 332.463 3.483 50 0 EGAARO CC[C@@H](CNc1nc(C(C)C)nc2c1cnn2C)[NH+]1CCCCC1 ZINC000072164397 216053003 /nfs/dbraw/zinc/05/30/03/216053003.db2.gz PWKSYJXEGDFHHG-AWEZNQCLSA-N 1 0 330.480 3.163 50 0 EGAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(c2noc(C(C)C)n2)C1 ZINC000072166792 216056800 /nfs/dbraw/zinc/05/68/00/216056800.db2.gz XPVDKDWLFITOFX-MRXNPFEDSA-N 1 0 329.448 3.079 50 0 EGAARO CN1C[C@@]2(CCC[N@H+](Cc3nc4ccccc4s3)CC2)OC1=O ZINC000072169545 216060696 /nfs/dbraw/zinc/06/06/96/216060696.db2.gz UTJWAXYMUVKZSI-KRWDZBQOSA-N 1 0 331.441 3.103 50 0 EGAARO CCOC(=O)N1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000000220280 209492518 /nfs/dbraw/zinc/49/25/18/209492518.db2.gz YQEGZRUAHHDNRC-UHFFFAOYSA-N 1 0 330.350 3.416 50 0 EGAARO CCCCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072410272 216201995 /nfs/dbraw/zinc/20/19/95/216201995.db2.gz OURMPJSKMXABBV-HXUWFJFHSA-N 1 0 329.488 3.476 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072411305 216203688 /nfs/dbraw/zinc/20/36/88/216203688.db2.gz WLOQGYJNZBHAHF-INIZCTEOSA-N 1 0 344.499 3.089 50 0 EGAARO CC[C@H](Cn1ccnc1-c1ccc(SC)cc1)[NH+]1CCN(C)CC1 ZINC000072421142 216208815 /nfs/dbraw/zinc/20/88/15/216208815.db2.gz OQJCZXHZFPHACV-QGZVFWFLSA-N 1 0 344.528 3.298 50 0 EGAARO C[C@H](Nc1nc(-c2ccccc2)nc2c1CC[NH2+]CC2)c1cccnc1 ZINC000072423210 216212450 /nfs/dbraw/zinc/21/24/50/216212450.db2.gz TWCNMIPNVRRJHT-HNNXBMFYSA-N 1 0 345.450 3.400 50 0 EGAARO COc1ccc(CN2CC[N@H+](CCC=C(C)C)C[C@@H]2CCO)cc1C ZINC000072480053 216260575 /nfs/dbraw/zinc/26/05/75/216260575.db2.gz KKKWQIVVVZGRPK-FQEVSTJZSA-N 1 0 346.515 3.229 50 0 EGAARO OCC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1Cc1cccs1 ZINC000023358798 212371093 /nfs/dbraw/zinc/37/10/93/212371093.db2.gz PIWFYVRZNQCJGD-RRGNZLCHSA-N 1 0 342.508 3.330 50 0 EGAARO C[NH+](C)[C@H](CNC(=O)COc1ccc(Cl)cc1)c1cccs1 ZINC000023105481 212348596 /nfs/dbraw/zinc/34/85/96/212348596.db2.gz DXVGRVMCPUTEMW-CQSZACIVSA-N 1 0 338.860 3.199 50 0 EGAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(F)c(Br)c1 ZINC000022078333 212276477 /nfs/dbraw/zinc/27/64/77/212276477.db2.gz NJFNVSBTPDQWGG-IAQYHMDHSA-N 1 0 327.241 3.257 50 0 EGAARO CCC[C@H]1COCCN1Cc1ccc(OC)c(C[NH+]2CCCC2)c1 ZINC000214995928 241099984 /nfs/dbraw/zinc/09/99/84/241099984.db2.gz MIRWAYFURUSGER-IBGZPJMESA-N 1 0 332.488 3.292 50 0 EGAARO CSCC[NH+]1CCN(Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000215178641 241112492 /nfs/dbraw/zinc/11/24/92/241112492.db2.gz VYSHEAWXPXTNGY-UHFFFAOYSA-N 1 0 334.529 3.489 50 0 EGAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+](C)CCn2ccnc2C)n1 ZINC000216472950 241194588 /nfs/dbraw/zinc/19/45/88/241194588.db2.gz GQIORLYGPMEBPK-UHFFFAOYSA-N 1 0 341.434 3.265 50 0 EGAARO O=C(c1ccccc1)[C@@H](C[NH2+][C@H]1CN2CCC1CC2)c1ccccc1 ZINC000022042263 212273001 /nfs/dbraw/zinc/27/30/01/212273001.db2.gz DDLAHAHXSPIZQL-SFTDATJTSA-N 1 0 334.463 3.337 50 0 EGAARO OCC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1 ZINC000020996300 212195924 /nfs/dbraw/zinc/19/59/24/212195924.db2.gz XUDAGEMSDOEWDK-SFHVURJKSA-N 1 0 346.421 3.034 50 0 EGAARO [NH3+][C@@H]1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000244690983 243056740 /nfs/dbraw/zinc/05/67/40/243056740.db2.gz JALWILRNSFDYBT-GFCCVEGCSA-N 1 0 327.375 3.362 50 0 EGAARO CC(C)n1ccnc1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000244716315 243067758 /nfs/dbraw/zinc/06/77/58/243067758.db2.gz LMVRBAURTIYYEI-UHFFFAOYSA-N 1 0 341.459 3.067 50 0 EGAARO C[NH+]1CCN(CCCOc2ccccc2OCc2ccccc2)CC1 ZINC000020639473 212158727 /nfs/dbraw/zinc/15/87/27/212158727.db2.gz ACCBPYRVWPBUTJ-UHFFFAOYSA-N 1 0 340.467 3.282 50 0 EGAARO CCCCNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020582948 212149812 /nfs/dbraw/zinc/14/98/12/212149812.db2.gz CXPYSMOMOZAGBW-UHFFFAOYSA-N 1 0 325.456 3.467 50 0 EGAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(O)c1)[NH2+]CC2 ZINC000020506880 212141691 /nfs/dbraw/zinc/14/16/91/212141691.db2.gz PHEFTDKXUGQZBE-FQEVSTJZSA-N 1 0 343.423 3.433 50 0 biogenic EGAARO Clc1ccc(OCCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000020272641 212115583 /nfs/dbraw/zinc/11/55/83/212115583.db2.gz SZOVFJLRENSPOB-UHFFFAOYSA-N 1 0 347.684 3.167 50 0 EGAARO CCOCCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100390 212100301 /nfs/dbraw/zinc/10/03/01/212100301.db2.gz ZPGZXWPGFYSFRY-UHFFFAOYSA-N 1 0 338.879 3.095 50 0 EGAARO CCc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc(Cl)c3)C2=O)cc1 ZINC000019948702 212089375 /nfs/dbraw/zinc/08/93/75/212089375.db2.gz QJTFMRHCDCPUSQ-KRWDZBQOSA-N 1 0 342.826 3.324 50 0 EGAARO COc1ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c(OC)c1 ZINC000019788479 212066848 /nfs/dbraw/zinc/06/68/48/212066848.db2.gz LBDBXEOWSXAOQJ-UHFFFAOYSA-N 1 0 332.488 3.400 50 0 EGAARO COc1ccc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc1OC ZINC000019359009 212021556 /nfs/dbraw/zinc/02/15/56/212021556.db2.gz GMYDXKKARVEPSV-WMZOPIPTSA-N 1 0 332.488 3.400 50 0 EGAARO Cc1cc(N2CCCN(C(=O)c3ccco3)CC2)c2ccccc2[nH+]1 ZINC000377518346 169034782 /nfs/dbraw/zinc/03/47/82/169034782.db2.gz GDGQWDRDVMNCOS-UHFFFAOYSA-N 1 0 335.407 3.489 50 0 EGAARO CC(C)OCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000012165121 211311196 /nfs/dbraw/zinc/31/11/96/211311196.db2.gz IUIUVJONUXBNMW-SFHVURJKSA-N 1 0 336.451 3.112 50 0 EGAARO Cc1ncc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)ncc32)n1C ZINC000011935786 211272549 /nfs/dbraw/zinc/27/25/49/211272549.db2.gz TYLLNVTXMBAADT-GOSISDBHSA-N 1 0 333.439 3.353 50 0 EGAARO CCCCNC(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011938649 211271872 /nfs/dbraw/zinc/27/18/72/211271872.db2.gz YHZLESVNTUFTLZ-IBGZPJMESA-N 1 0 344.503 3.125 50 0 EGAARO CC(C)C(=O)NC[C@H](C)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000011910790 211267322 /nfs/dbraw/zinc/26/73/22/211267322.db2.gz JTDGYLXENLVVBQ-INIZCTEOSA-N 1 0 344.455 3.451 50 0 EGAARO C[NH+](C)C[C@@H]1CN(Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1CO ZINC000091474132 218011050 /nfs/dbraw/zinc/01/10/50/218011050.db2.gz RBEZXVSOFZROKE-RTBURBONSA-N 1 0 340.467 3.081 50 0 EGAARO O=C(Nc1ccc(SCC[NH+]2CCCCC2)nn1)c1ccccc1 ZINC000011737866 211241075 /nfs/dbraw/zinc/24/10/75/211241075.db2.gz IUGXIQZSOSQSHT-UHFFFAOYSA-N 1 0 342.468 3.307 50 0 EGAARO CC(C)[C@H]1C[N@H+](CCCC(F)(F)F)C[C@@H]1NC(=O)c1ccoc1 ZINC000091643405 218037084 /nfs/dbraw/zinc/03/70/84/218037084.db2.gz XBGBMFFDAVBGDE-KGLIPLIRSA-N 1 0 332.366 3.308 50 0 EGAARO Cc1cccc(Cl)c1OCCNC(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000091664323 218042903 /nfs/dbraw/zinc/04/29/03/218042903.db2.gz JZUABLCARHEPPK-OAHLLOKOSA-N 1 0 338.879 3.265 50 0 EGAARO O=C(NCCCc1ccccn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091819713 218070906 /nfs/dbraw/zinc/07/09/06/218070906.db2.gz QADHFCJMZBMKSU-UHFFFAOYSA-N 1 0 337.467 3.430 50 0 EGAARO COCCC[C@@]1(CO)CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000091755827 218060527 /nfs/dbraw/zinc/06/05/27/218060527.db2.gz GJWDLXOVSUFXDE-SFHVURJKSA-N 1 0 341.879 3.220 50 0 EGAARO CCC[C@]1(CO)CCC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000092082084 218117508 /nfs/dbraw/zinc/11/75/08/218117508.db2.gz IEBUETDQVMGPDE-SFHVURJKSA-N 1 0 325.424 3.218 50 0 EGAARO O=C(NCCC[NH+]1CCCCCC1)c1ccccc1Br ZINC000010111122 211148794 /nfs/dbraw/zinc/14/87/94/211148794.db2.gz WIYJQOSHWPFMEJ-UHFFFAOYSA-N 1 0 339.277 3.445 50 0 EGAARO COc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000009874746 211130549 /nfs/dbraw/zinc/13/05/49/211130549.db2.gz YCBLSLASMZLVQL-UHFFFAOYSA-N 1 0 335.448 3.135 50 0 EGAARO Cc1csc(CCCNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)n1 ZINC000095366396 218299005 /nfs/dbraw/zinc/29/90/05/218299005.db2.gz GJKFCSIONWTRTR-QGZVFWFLSA-N 1 0 343.496 3.281 50 0 EGAARO Cc1ccc([C@@H]2CN(C(=O)c3cccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095367273 218300370 /nfs/dbraw/zinc/30/03/70/218300370.db2.gz PWJYHSBQPKRGJX-PWRODBHTSA-N 1 0 347.462 3.092 50 0 EGAARO CN(CCNC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000095379611 218312027 /nfs/dbraw/zinc/31/20/27/218312027.db2.gz AMGWRWSDWRJTRK-IBGZPJMESA-N 1 0 337.467 3.020 50 0 EGAARO C[N@@H+]1CCC[C@H](CCC(=O)NCCc2ccccc2C(F)(F)F)C1 ZINC000095380457 218312407 /nfs/dbraw/zinc/31/24/07/218312407.db2.gz POJIEXHELYRERJ-CQSZACIVSA-N 1 0 342.405 3.486 50 0 EGAARO CCC[NH+]1CCC(CC(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000095381349 218313141 /nfs/dbraw/zinc/31/31/41/218313141.db2.gz OVMKRMIZUNRRLU-UHFFFAOYSA-N 1 0 343.515 3.284 50 0 EGAARO O=C(NCCC12CCC[NH+]1CCC2)Nc1ccc(-n2cccn2)cc1 ZINC000095520181 218425654 /nfs/dbraw/zinc/42/56/54/218425654.db2.gz IRFFIGQVZJOZQE-UHFFFAOYSA-N 1 0 339.443 3.012 50 0 EGAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc2[nH]c(C)nc2c1)c1ccco1 ZINC000097551269 219034476 /nfs/dbraw/zinc/03/44/76/219034476.db2.gz CXYINOJIMZYACI-QGZVFWFLSA-N 1 0 340.427 3.277 50 0 EGAARO COc1ccc2[nH]c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000504765602 257704146 /nfs/dbraw/zinc/70/41/46/257704146.db2.gz LGIFLRZBMIUGON-LIRRHRJNSA-N 1 0 341.455 3.171 50 0 EGAARO CC[C@@H](c1ccc(OC)cc1)N(C)C(=O)NCCC[NH+]1CCCC1 ZINC000426727566 257957004 /nfs/dbraw/zinc/95/70/04/257957004.db2.gz XAMGCYDBYHWLCF-SFHVURJKSA-N 1 0 333.476 3.274 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cccc4c(C)c(C)[nH]c43)[C@H]1C[C@H](O)CC2 ZINC000299776005 258086473 /nfs/dbraw/zinc/08/64/73/258086473.db2.gz JVWLCLNKKNRWCT-IMFGXOCKSA-N 1 0 328.456 3.289 50 0 EGAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccc2n[nH]cc2c1 ZINC000299783104 258091062 /nfs/dbraw/zinc/09/10/62/258091062.db2.gz JZVVMCFRPFHCRE-UHFFFAOYSA-N 1 0 349.438 3.480 50 0 EGAARO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCn3cccn3)CC2)c1 ZINC000299793542 258098440 /nfs/dbraw/zinc/09/84/40/258098440.db2.gz IABLQYQTRRLLPN-KRWDZBQOSA-N 1 0 340.471 3.321 50 0 EGAARO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(cnn2C)c1 ZINC000299794288 258099344 /nfs/dbraw/zinc/09/93/44/258099344.db2.gz KBODEFRGVIUDMN-UHFFFAOYSA-N 1 0 343.475 3.303 50 0 EGAARO O=C(NCCc1nccs1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299796737 258101107 /nfs/dbraw/zinc/10/11/07/258101107.db2.gz RWNKQHDKQSMHNR-BBWFWOEESA-N 1 0 341.480 3.027 50 0 EGAARO CO[C@]12CC[N@H+](Cc3csc(-c4ccccc4)n3)[C@H]1C[C@@H](O)CC2 ZINC000299755917 258074424 /nfs/dbraw/zinc/07/44/24/258074424.db2.gz FDOSWKXANIXUHA-JENIJYKNSA-N 1 0 344.480 3.314 50 0 EGAARO Cc1cccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccc2F)n1 ZINC000299764869 258079926 /nfs/dbraw/zinc/07/99/26/258079926.db2.gz UUWCFAGWETXVPO-GOSISDBHSA-N 1 0 341.430 3.200 50 0 EGAARO O=C(NCCCn1ccnc1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000299766134 258080888 /nfs/dbraw/zinc/08/08/88/258080888.db2.gz BCAHKHYPZIVGRU-UHFFFAOYSA-N 1 0 340.471 3.079 50 0 EGAARO COc1cccc([C@H](O)C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000065255273 132808261 /nfs/dbraw/zinc/80/82/61/132808261.db2.gz GIWYHGDLTUSFSJ-OAQYLSRUSA-N 1 0 340.467 3.168 50 0 biogenic EGAARO CC(C)c1nccc(C[NH+]2CCC3(CC2)c2ccccc2C[C@H]3O)n1 ZINC000072171676 273569891 /nfs/dbraw/zinc/56/98/91/273569891.db2.gz DWVVPJVGRZBOSQ-LJQANCHMSA-N 1 0 337.467 3.051 50 0 EGAARO CC(=O)c1cc(CC(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)cs1 ZINC000097572171 277105569 /nfs/dbraw/zinc/10/55/69/277105569.db2.gz IIPUYSJJNOVERF-KRWDZBQOSA-N 1 0 344.480 3.221 50 0 EGAARO COc1cccc2cccc([C@@H]3NC(=[NH2+])Nc4nc5ccccc5n43)c21 ZINC000004741783 278043450 /nfs/dbraw/zinc/04/34/50/278043450.db2.gz XHELBNITNZANBT-GOSISDBHSA-N 1 0 343.390 3.294 50 0 EGAARO C[C@H](C[N@H+](C)Cc1ccc2cccc(Cl)c2n1)N1CCOCC1 ZINC000220150377 279280944 /nfs/dbraw/zinc/28/09/44/279280944.db2.gz MZMLOKUIPLQOPV-CQSZACIVSA-N 1 0 333.863 3.041 50 0 EGAARO O=C(CSC1CCCC1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473135 454030856 /nfs/dbraw/zinc/03/08/56/454030856.db2.gz XLBLQNYLRBTCFP-HNNXBMFYSA-N 1 0 342.574 3.092 50 0 EGAARO Cc1nc(CC[N@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)cs1 ZINC000244852733 455276953 /nfs/dbraw/zinc/27/69/53/455276953.db2.gz UXOVFSIMNBMKHJ-LJQANCHMSA-N 1 0 341.480 3.004 50 0 EGAARO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccccc1)[C@H](C)N2 ZINC000000004088 452491508 /nfs/dbraw/zinc/49/15/08/452491508.db2.gz XXBDOTXPQDVHIP-JTQLQIEISA-N 1 0 325.372 3.167 50 0 investigational EGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccc(Cl)c3)C2=O)cc1 ZINC000000183119 452529345 /nfs/dbraw/zinc/52/93/45/452529345.db2.gz UZWNYNKEKZALTN-KRWDZBQOSA-N 1 0 342.826 3.113 50 0 EGAARO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000000359996 452572742 /nfs/dbraw/zinc/57/27/42/452572742.db2.gz UIWZWNLUGZCHOX-UHFFFAOYSA-N 1 0 339.439 3.089 50 0 EGAARO COC(=O)c1cccc(NC(=O)c2cc[n+](Cc3ccccc3)cc2)c1 ZINC000000432002 452590843 /nfs/dbraw/zinc/59/08/43/452590843.db2.gz SEFMQBWPPCOEFA-UHFFFAOYSA-O 1 0 347.394 3.061 50 0 EGAARO Cn1cc([C@H](CN2C(=O)c3ccccc3C2=O)[NH+](C)C)c2ccccc21 ZINC000000494137 452608129 /nfs/dbraw/zinc/60/81/29/452608129.db2.gz QWQXNGCWPCTILQ-IBGZPJMESA-N 1 0 347.418 3.077 50 0 EGAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000000526708 452614728 /nfs/dbraw/zinc/61/47/28/452614728.db2.gz NMHLNOPFYTVZHA-OAHLLOKOSA-N 1 0 325.456 3.317 50 0 biogenic EGAARO CCC[NH2+]C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 ZINC000001530759 452668091 /nfs/dbraw/zinc/66/80/91/452668091.db2.gz JWHAUXFOSRPERK-SFHVURJKSA-N 1 0 341.451 3.241 50 0 fda EGAARO COc1cc2c(cc1OC)[C@]13C[C@@H](OC)CC=C1CC[N@@H+]3CCC2 ZINC000001649219 452672002 /nfs/dbraw/zinc/67/20/02/452672002.db2.gz VFNBFPRWBICVGZ-JXFKEZNVSA-N 1 0 329.440 3.286 50 0 biogenic,in-vitro EGAARO COCCC[NH2+]CCOCCOc1c(C)cc(Cl)cc1Cl ZINC000002980658 452737639 /nfs/dbraw/zinc/73/76/39/452737639.db2.gz MTKOAFQUECMVAX-UHFFFAOYSA-N 1 0 336.259 3.323 50 0 EGAARO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000004989264 452829064 /nfs/dbraw/zinc/82/90/64/452829064.db2.gz CYKLVGQHRCUQHL-OAHLLOKOSA-N 1 0 329.440 3.476 50 0 EGAARO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCSCC1 ZINC000005043362 452834442 /nfs/dbraw/zinc/83/44/42/452834442.db2.gz MHLYGQIIGUMPMH-GSBYPIHSSA-N 1 0 339.545 3.019 50 0 EGAARO CCOC(=O)c1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2CC(F)(F)F ZINC000005091613 452836135 /nfs/dbraw/zinc/83/61/35/452836135.db2.gz WEHWZLFXMFRHBE-HIFRSBDPSA-N 1 0 342.361 3.033 50 0 EGAARO CCN(CC)c1ccc2cc(C(=O)NC3CCCC3)c(=[NH2+])oc2c1 ZINC000005808474 452903627 /nfs/dbraw/zinc/90/36/27/452903627.db2.gz JGYKIIKNSGKOBZ-UHFFFAOYSA-N 1 0 327.428 3.431 50 0 EGAARO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCCCC1 ZINC000008717448 453226467 /nfs/dbraw/zinc/22/64/67/453226467.db2.gz GAYHSUSIXDNYJN-UHFFFAOYSA-N 1 0 341.455 3.071 50 0 EGAARO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)O)c1OCc1ccccc1 ZINC000010474574 453292953 /nfs/dbraw/zinc/29/29/53/453292953.db2.gz WNJOHUIIPZCXJH-CYBMUJFWSA-N 1 0 335.831 3.398 50 0 EGAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000011990924 453340260 /nfs/dbraw/zinc/34/02/60/453340260.db2.gz VWTJHCNAEQPSPB-JKSUJKDBSA-N 1 0 345.439 3.106 50 0 EGAARO CC(C)(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012574408 453378258 /nfs/dbraw/zinc/37/82/58/453378258.db2.gz PRVADFHDWJPSED-QGZVFWFLSA-N 1 0 326.444 3.321 50 0 EGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[N@@H+](C)C(C)C)C2=O)cc1 ZINC000012583005 453379361 /nfs/dbraw/zinc/37/93/61/453379361.db2.gz QWUGMJDSSLYCJL-FQEVSTJZSA-N 1 0 332.488 3.004 50 0 EGAARO O=C(c1ccc(Br)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000013745284 453485923 /nfs/dbraw/zinc/48/59/23/453485923.db2.gz HDIIUNLULOHWOV-UHFFFAOYSA-N 1 0 341.249 3.133 50 0 EGAARO COc1cccc2c1OC[C@@H]([NH2+]CCc1cnn(-c3ccccc3)c1)C2 ZINC000015077141 453554316 /nfs/dbraw/zinc/55/43/16/453554316.db2.gz QNAWGKHACMUHCH-SFHVURJKSA-N 1 0 349.434 3.017 50 0 EGAARO CCc1cc(C)cc(OC[C@H](O)C[n+]2c(C)n(C)c3ccccc32)c1 ZINC000015746171 453584190 /nfs/dbraw/zinc/58/41/90/453584190.db2.gz PXVBEKPTBLXRMM-GOSISDBHSA-N 1 0 339.459 3.085 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1Cn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000020057309 453661983 /nfs/dbraw/zinc/66/19/83/453661983.db2.gz AGOBUXGQCMEWBE-GFCCVEGCSA-N 1 0 330.819 3.016 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)[NH+](C)C)cc1 ZINC000028289274 453822919 /nfs/dbraw/zinc/82/29/19/453822919.db2.gz IHYSQHDOZYHOLR-LJQANCHMSA-N 1 0 340.467 3.410 50 0 EGAARO Cc1ncsc1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000082087888 453923212 /nfs/dbraw/zinc/92/32/12/453923212.db2.gz HKVZHXWPEZVGCY-UHFFFAOYSA-N 1 0 343.496 3.296 50 0 EGAARO CC(C)c1cc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)no1 ZINC000082091760 453923358 /nfs/dbraw/zinc/92/33/58/453923358.db2.gz BCTQSRDVQFRMSA-UHFFFAOYSA-N 1 0 341.455 3.407 50 0 EGAARO CCC[C@@H](C)[NH2+]Cc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067740129 453961562 /nfs/dbraw/zinc/96/15/62/453961562.db2.gz JDTFCQSYIOCVGU-QGZVFWFLSA-N 1 0 339.487 3.081 50 0 EGAARO COc1ccc([C@@H]2[NH2+]Cc3cc4c(cc3-n3cccc32)OCO4)cc1 ZINC000055231424 453971410 /nfs/dbraw/zinc/97/14/10/453971410.db2.gz APCVINUTCNMXFR-FQEVSTJZSA-N 1 0 334.375 3.407 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3cccc(Cl)c3n2)CC1 ZINC000077287013 454086103 /nfs/dbraw/zinc/08/61/03/454086103.db2.gz KAOMLQGSZXMOHM-CQSZACIVSA-N 1 0 331.847 3.445 50 0 EGAARO COCCC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000077301485 454087956 /nfs/dbraw/zinc/08/79/56/454087956.db2.gz QHSPRAFNDJSSQY-INIZCTEOSA-N 1 0 326.444 3.177 50 0 EGAARO Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)c1F ZINC000077323304 454091471 /nfs/dbraw/zinc/09/14/71/454091471.db2.gz IKUSHJVKTBIVHI-MRXNPFEDSA-N 1 0 338.442 3.350 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1 ZINC000077407511 454102587 /nfs/dbraw/zinc/10/25/87/454102587.db2.gz SFIJDUHTASVDJA-HXUWFJFHSA-N 1 0 346.446 3.201 50 0 EGAARO Cc1cc(C)c2nc(C)cc(C(=O)N3CC([NH+]4CCCCC4)C3)c2c1 ZINC000077487285 454112347 /nfs/dbraw/zinc/11/23/47/454112347.db2.gz BIVYKRQQPKOJQV-UHFFFAOYSA-N 1 0 337.467 3.470 50 0 EGAARO CCCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)o1 ZINC000077503977 454114826 /nfs/dbraw/zinc/11/48/26/454114826.db2.gz GTYSRZFDKYIDLQ-FQEVSTJZSA-N 1 0 348.487 3.083 50 0 EGAARO CCn1cc(C[NH+]2CCC(N3CCCC3=O)CC2)c2ccccc21 ZINC000071715079 454211997 /nfs/dbraw/zinc/21/19/97/454211997.db2.gz FYHYLPJPFPSPJI-UHFFFAOYSA-N 1 0 325.456 3.248 50 0 EGAARO CC[N@@H+]1CCC[C@@H](CN(C)c2nccc(-c3ccc(C)nc3C)n2)C1 ZINC000071748805 454213167 /nfs/dbraw/zinc/21/31/67/454213167.db2.gz AJJBQAGTOBRIJQ-KRWDZBQOSA-N 1 0 339.487 3.324 50 0 EGAARO COc1cc(C[NH+]2CCC(N3CCCC3=O)CC2)ccc1OC(C)C ZINC000071752813 454214563 /nfs/dbraw/zinc/21/45/63/454214563.db2.gz JVNLXTKPRYUDII-UHFFFAOYSA-N 1 0 346.471 3.069 50 0 EGAARO CC1=CC[C@@H]2C[N@H+](Cc3cccc(CN4CCOCC4)c3)C[C@@H]2C1 ZINC000071764524 454216751 /nfs/dbraw/zinc/21/67/51/454216751.db2.gz HRUQUFPIHRGJLT-RTWAWAEBSA-N 1 0 326.484 3.307 50 0 EGAARO CCn1cc(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cn1 ZINC000095508586 454223391 /nfs/dbraw/zinc/22/33/91/454223391.db2.gz QRCADZOPQORHHH-HXUWFJFHSA-N 1 0 338.499 3.357 50 0 EGAARO Cc1ncsc1CCc1nc(CC2CC[NH+](C)CC2)nn1C(C)C ZINC000095516519 454226791 /nfs/dbraw/zinc/22/67/91/454226791.db2.gz CIAWSYFVWOKYHC-UHFFFAOYSA-N 1 0 347.532 3.293 50 0 EGAARO Cc1c[nH+]ccc1N1CCC(c2nccn2Cc2ccccn2)CC1 ZINC000095526376 454227450 /nfs/dbraw/zinc/22/74/50/454227450.db2.gz LNYGAHIPLYUVFA-UHFFFAOYSA-N 1 0 333.439 3.414 50 0 EGAARO CCc1cc(N2CCC([NH2+]CCc3ccccc3F)CC2)nc(C)n1 ZINC000095523631 454227826 /nfs/dbraw/zinc/22/78/26/454227826.db2.gz RHXVRWHQNSSLGG-UHFFFAOYSA-N 1 0 342.462 3.288 50 0 EGAARO CCc1ccc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)nc1 ZINC000072166475 454273334 /nfs/dbraw/zinc/27/33/34/454273334.db2.gz VQZMCRTYDDMJMC-NRFANRHFSA-N 1 0 335.451 3.154 50 0 EGAARO COCc1ccccc1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000060355050 454280794 /nfs/dbraw/zinc/28/07/94/454280794.db2.gz KYOKXMCKWGVXKF-SFHVURJKSA-N 1 0 342.439 3.301 50 0 EGAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(OCc2ccco2)cc1 ZINC000096131601 454290554 /nfs/dbraw/zinc/29/05/54/454290554.db2.gz LFFZKBSXPHFVSL-UHFFFAOYSA-N 1 0 343.427 3.466 50 0 EGAARO CCN1CC2(CCC1=O)CC[NH+](CCCC(=O)c1ccccc1)CC2 ZINC000091635875 454454777 /nfs/dbraw/zinc/45/47/77/454454777.db2.gz QVQXEXXZBFUUNK-UHFFFAOYSA-N 1 0 342.483 3.374 50 0 EGAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000048482778 454493344 /nfs/dbraw/zinc/49/33/44/454493344.db2.gz WLEXBHNHNCEPMY-UHFFFAOYSA-N 1 0 343.496 3.328 50 0 EGAARO CCOc1ccccc1N1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000065255302 454545864 /nfs/dbraw/zinc/54/58/64/454545864.db2.gz XIAGPKUXGYWXHJ-FQEVSTJZSA-N 1 0 340.467 3.249 50 0 EGAARO O=C(CC[N@H+]1CCC[C@H](Oc2ccc(F)cc2)C1)Nc1nccs1 ZINC000065370520 454555081 /nfs/dbraw/zinc/55/50/81/454555081.db2.gz UVNNOSOSJVICCR-HNNXBMFYSA-N 1 0 349.431 3.154 50 0 EGAARO CCc1cc(N2CC[NH+](Cc3ccc(C)c4ncccc34)CC2)ncn1 ZINC000065384107 454557452 /nfs/dbraw/zinc/55/74/52/454557452.db2.gz DFTXVUIWVQTICY-UHFFFAOYSA-N 1 0 347.466 3.218 50 0 EGAARO CCc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000065407896 454561387 /nfs/dbraw/zinc/56/13/87/454561387.db2.gz GTDJYCBIRBSFMA-KRWDZBQOSA-N 1 0 340.471 3.186 50 0 EGAARO CC[C@@H](c1cccnc1)N(C)C(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000065527777 454585204 /nfs/dbraw/zinc/58/52/04/454585204.db2.gz PIGKYTNLESRRMK-IBGZPJMESA-N 1 0 341.455 3.496 50 0 EGAARO COc1cc(Cl)ccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172417902 455152529 /nfs/dbraw/zinc/15/25/29/455152529.db2.gz VTODSBRFMWALNH-UHFFFAOYSA-N 1 0 336.863 3.439 50 0 EGAARO O=C(NCc1cc(-c2ccccc2)no1)C1([NH+]2CCCC2)CCCC1 ZINC000244899728 455278549 /nfs/dbraw/zinc/27/85/49/455278549.db2.gz ZOZWBZJWYDEIFP-UHFFFAOYSA-N 1 0 339.439 3.366 50 0 EGAARO Cc1ccc(C)n1CCC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253401149 455840480 /nfs/dbraw/zinc/84/04/80/455840480.db2.gz FKDVEKBMNJUKQW-RBUKOAKNSA-N 1 0 331.504 3.218 50 0 biogenic EGAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000221359185 456043129 /nfs/dbraw/zinc/04/31/29/456043129.db2.gz LYQXYBLTBNXYSS-ZDUSSCGKSA-N 1 0 326.843 3.210 50 0 EGAARO CC(C)c1nccn1CCCNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000222321873 456046569 /nfs/dbraw/zinc/04/65/69/456046569.db2.gz SOQMHPSEQPYOQU-UHFFFAOYSA-N 1 0 346.519 3.312 50 0 EGAARO O=C(NCc1cnn2ccccc12)C1([NH+]2CCCCC2)CCCCC1 ZINC000426369419 457814456 /nfs/dbraw/zinc/81/44/56/457814456.db2.gz UYSZFVVAYYSTIH-UHFFFAOYSA-N 1 0 340.471 3.139 50 0 EGAARO O=C(NCc1cccc2[nH]ccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000426510177 457845456 /nfs/dbraw/zinc/84/54/56/457845456.db2.gz SBMVCKLXRQMIPK-UHFFFAOYSA-N 1 0 340.471 3.328 50 0 EGAARO COc1ccc2cc([C@H](C)NC(=O)NCC3CC[NH2+]CC3)ccc2c1 ZINC000426538608 457851002 /nfs/dbraw/zinc/85/10/02/457851002.db2.gz QJEJWSNAGJIUGZ-AWEZNQCLSA-N 1 0 341.455 3.208 50 0 EGAARO CCC[C@@H](CNC(=O)N(C)Cc1cccc2cnccc21)[NH+](C)C ZINC000534588371 459335008 /nfs/dbraw/zinc/33/50/08/459335008.db2.gz LYKQLVYAENEKLS-KRWDZBQOSA-N 1 0 328.460 3.107 50 0 EGAARO COCC[NH2+]CCOc1ccc(C)cc1-c1cccc2c1OCC2 ZINC000534584966 459335179 /nfs/dbraw/zinc/33/51/79/459335179.db2.gz QTRNBCVWFMVOAM-UHFFFAOYSA-N 1 0 327.424 3.212 50 0 EGAARO CC(=O)c1cc(C(=O)NC[C@@H](c2cccc(C)c2)[NH+](C)C)cs1 ZINC000534584218 459335266 /nfs/dbraw/zinc/33/52/66/459335266.db2.gz HRSXICHVPWFJGL-INIZCTEOSA-N 1 0 330.453 3.292 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)NCCSCc2ccccc2)C1 ZINC000534629727 459339333 /nfs/dbraw/zinc/33/93/33/459339333.db2.gz IHXMRJAEHVZXGJ-INIZCTEOSA-N 1 0 347.528 3.188 50 0 EGAARO CC[C@H](c1cccnc1)N(C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000534663326 459344276 /nfs/dbraw/zinc/34/42/76/459344276.db2.gz HIXYMUXBPGPWQF-LJQANCHMSA-N 1 0 340.471 3.436 50 0 EGAARO Fc1cccc(C2(C[NH2+]C3CSCCSC3)CCOCC2)c1 ZINC000534676911 459346165 /nfs/dbraw/zinc/34/61/65/459346165.db2.gz RHJXWUQRXVHUKP-UHFFFAOYSA-N 1 0 341.517 3.312 50 0 EGAARO CC[N@H+](Cc1ccccc1)C1CCN(C(=O)Cc2cc(C)no2)CC1 ZINC000584894142 459819790 /nfs/dbraw/zinc/81/97/90/459819790.db2.gz BJSYUZPTSHZXCI-UHFFFAOYSA-N 1 0 341.455 3.039 50 0 EGAARO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@H]2CC(CC)=NO2)CC1 ZINC000244633429 535295187 /nfs/dbraw/zinc/29/51/87/535295187.db2.gz GCVHPADLEZLHPZ-LJQANCHMSA-N 1 0 343.471 3.449 50 0 EGAARO CCc1cccc(C)c1NC(=O)CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000244646922 535860765 /nfs/dbraw/zinc/86/07/65/535860765.db2.gz GRTLYJBDSHWEPF-UHFFFAOYSA-N 1 0 340.471 3.489 50 0 EGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)Cc2cccs2)C1 ZINC000670440581 548215492 /nfs/dbraw/zinc/21/54/92/548215492.db2.gz 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/nfs/dbraw/zinc/09/81/52/243098152.db2.gz YBANBQKKZOUSBT-OAHLLOKOSA-N 1 0 328.378 3.357 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000020662014 212159507 /nfs/dbraw/zinc/15/95/07/212159507.db2.gz OLQXGCQNVBDFEM-MRXNPFEDSA-N 1 0 336.443 3.020 50 0 EGAARO OC[C@@H]1CCC[N@@H+](C2CCN(Cc3sccc3Cl)CC2)C1 ZINC000020536201 212144926 /nfs/dbraw/zinc/14/49/26/212144926.db2.gz FUELHSOFICPLBV-CYBMUJFWSA-N 1 0 328.909 3.070 50 0 EGAARO OCC[C@H]1CN(Cc2cc3ccccc3o2)CC[N@@H+]1C1CCCC1 ZINC000020513671 212142798 /nfs/dbraw/zinc/14/27/98/212142798.db2.gz PVDKECYTVXMNLB-SFHVURJKSA-N 1 0 328.456 3.244 50 0 EGAARO O=c1c2[nH]c3cccc(Cl)c3c2ncn1CC[NH+]1CCCCC1 ZINC000020478844 212135972 /nfs/dbraw/zinc/13/59/72/212135972.db2.gz KWCXMEVQZVHDRD-UHFFFAOYSA-N 1 0 330.819 3.017 50 0 EGAARO Cc1cc(Cl)c(OCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000020272850 212115903 /nfs/dbraw/zinc/11/59/03/212115903.db2.gz DRNPBVZTAHYMPQ-UHFFFAOYSA-N 1 0 347.684 3.085 50 0 EGAARO Cc1c2cc(F)ccc2[nH]c1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000019938908 212087166 /nfs/dbraw/zinc/08/71/66/212087166.db2.gz NQJICUNREGEXIH-OAHLLOKOSA-N 1 0 339.418 3.164 50 0 EGAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccccc1 ZINC000019872114 212077619 /nfs/dbraw/zinc/07/76/19/212077619.db2.gz ORSRHADGKYFREA-UHFFFAOYSA-N 1 0 328.456 3.316 50 0 EGAARO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000019781727 212065811 /nfs/dbraw/zinc/06/58/11/212065811.db2.gz CUOUZKAMKGJYEX-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 biogenic EGAARO CCCc1sc(C(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000016602645 211917510 /nfs/dbraw/zinc/91/75/10/211917510.db2.gz DSBSYUCNBOBGMW-UHFFFAOYSA-N 1 0 345.306 3.287 50 0 EGAARO Cn1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000079190399 217200895 /nfs/dbraw/zinc/20/08/95/217200895.db2.gz ZSIYPRXNUQGSGS-PKOBYXMFSA-N 1 0 325.456 3.173 50 0 biogenic EGAARO CCN(CC)c1ncccc1C[NH2+]Cc1cccn1-c1cccnc1 ZINC000012448361 211386712 /nfs/dbraw/zinc/38/67/12/211386712.db2.gz DMUWRRFLRYWWCN-UHFFFAOYSA-N 1 0 335.455 3.403 50 0 EGAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000011905193 211266556 /nfs/dbraw/zinc/26/65/56/211266556.db2.gz FWLDWHHWKQVTAU-GOSISDBHSA-N 1 0 335.407 3.374 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)NCC[NH+]1CCCCC1)c(C)ccc2C ZINC000091487117 218013249 /nfs/dbraw/zinc/01/32/49/218013249.db2.gz CDPJMQVBSHWMQZ-UHFFFAOYSA-N 1 0 327.472 3.238 50 0 EGAARO O=C1C[C@H]([NH2+]CCCC(F)(F)F)CN1CCc1cccc(Cl)c1 ZINC000011814925 211250558 /nfs/dbraw/zinc/25/05/58/211250558.db2.gz FNAOBENAOZSXBJ-AWEZNQCLSA-N 1 0 348.796 3.416 50 0 EGAARO C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC[C@@]1(O)C1CCOCC1 ZINC000091563485 218022202 /nfs/dbraw/zinc/02/22/02/218022202.db2.gz RSBOSXUZYKHQDD-ACJLOTCBSA-N 1 0 341.854 3.479 50 0 EGAARO CCn1ccnc1CN(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000011819136 211252661 /nfs/dbraw/zinc/25/26/61/211252661.db2.gz ZFGYZZZMSGJZJE-FQEVSTJZSA-N 1 0 340.515 3.290 50 0 EGAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1ccccc1OC(F)(F)F ZINC000091616783 218031450 /nfs/dbraw/zinc/03/14/50/218031450.db2.gz QHYINATZQVJKBT-CYBMUJFWSA-N 1 0 330.350 3.076 50 0 EGAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000011714149 211240516 /nfs/dbraw/zinc/24/05/16/211240516.db2.gz DKTMPPLHBNZBGN-KRWDZBQOSA-N 1 0 344.455 3.190 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)CC1 ZINC000011713410 211240593 /nfs/dbraw/zinc/24/05/93/211240593.db2.gz ICJXMFVIJOAWSY-IBGZPJMESA-N 1 0 347.478 3.349 50 0 EGAARO c1ccc(-c2ncc(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)cn2)cc1 ZINC000091713348 218052578 /nfs/dbraw/zinc/05/25/78/218052578.db2.gz RCCVGVQNNCTHSV-GHTZIAJQSA-N 1 0 348.494 3.450 50 0 EGAARO COc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)o1 ZINC000011815869 211250238 /nfs/dbraw/zinc/25/02/38/211250238.db2.gz KWACDSFMUGXLFC-QGZVFWFLSA-N 1 0 342.439 3.067 50 0 EGAARO C[NH+](C)[C@H]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1CCCO ZINC000091664108 218043016 /nfs/dbraw/zinc/04/30/16/218043016.db2.gz OUWDZANYMLHUNM-PBHICJAKSA-N 1 0 328.859 3.004 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 ZINC000091873217 218082168 /nfs/dbraw/zinc/08/21/68/218082168.db2.gz FBWODYJRYZZCII-CRAIPNDOSA-N 1 0 338.455 3.023 50 0 EGAARO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010363685 211167865 /nfs/dbraw/zinc/16/78/65/211167865.db2.gz CHVYWHQICIUJNN-UHFFFAOYSA-N 1 0 338.407 3.321 50 0 EGAARO Cc1ccccc1C[N@@H+]1CC[C@H](Cn2cc(-c3nccs3)nn2)C1 ZINC000095358576 218292458 /nfs/dbraw/zinc/29/24/58/218292458.db2.gz QTODTDXWEMCGKC-HNNXBMFYSA-N 1 0 339.468 3.232 50 0 EGAARO Cc1nccn1CCC[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095367743 218299825 /nfs/dbraw/zinc/29/98/25/218299825.db2.gz BCEUICNOLSIMBB-IBGZPJMESA-N 1 0 341.503 3.458 50 0 EGAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCCc2ccccc2C(F)(F)F)C1 ZINC000095380458 218312409 /nfs/dbraw/zinc/31/24/09/218312409.db2.gz POJIEXHELYRERJ-AWEZNQCLSA-N 1 0 342.405 3.486 50 0 EGAARO CC(C)c1nccn1CCCNC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000095388502 218320299 /nfs/dbraw/zinc/32/02/99/218320299.db2.gz SGTNGUDNULIVHB-UHFFFAOYSA-N 1 0 334.508 3.023 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000095389361 218321758 /nfs/dbraw/zinc/32/17/58/218321758.db2.gz SJNLBLOMFORUFO-CQSZACIVSA-N 1 0 336.863 3.194 50 0 EGAARO CC(C)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000095499706 218415144 /nfs/dbraw/zinc/41/51/44/218415144.db2.gz RDIJCRCROROLRS-LSDHHAIUSA-N 1 0 328.378 3.364 50 0 EGAARO Fc1ccccc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000004993793 210352660 /nfs/dbraw/zinc/35/26/60/210352660.db2.gz AYGQWLHOMJRPSF-UHFFFAOYSA-N 1 0 343.431 3.073 50 0 EGAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000097259248 219006550 /nfs/dbraw/zinc/00/65/50/219006550.db2.gz BPIPYRAGBZUKCN-CYBMUJFWSA-N 1 0 325.391 3.069 50 0 EGAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]([NH3+])CC1 ZINC000097468270 219026679 /nfs/dbraw/zinc/02/66/79/219026679.db2.gz USAVYMOZBPHJNC-GFCCVEGCSA-N 1 0 345.365 3.449 50 0 EGAARO COCCCN(Cc1ccc(C)cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000426474281 257967556 /nfs/dbraw/zinc/96/75/56/257967556.db2.gz NNLOHRSWURPLNY-IBGZPJMESA-N 1 0 347.503 3.027 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cnc(-c4ccccc4)s3)[C@H]1C[C@H](O)CC2 ZINC000299780576 258089363 /nfs/dbraw/zinc/08/93/63/258089363.db2.gz ARBHDAVBVYHRTE-HHXXYDBFSA-N 1 0 344.480 3.314 50 0 EGAARO O=C(NCC[C@@H]1CCCC[N@@H+]1C1CCCC1)c1cc(F)ccc1O ZINC000299783812 258091639 /nfs/dbraw/zinc/09/16/39/258091639.db2.gz VFKWBTHNCCHWBO-INIZCTEOSA-N 1 0 334.435 3.448 50 0 EGAARO COc1cc(C)ccc1OCC[N@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000299791660 258097398 /nfs/dbraw/zinc/09/73/98/258097398.db2.gz DZQZNKRGOLGLFK-FFZOFVMBSA-N 1 0 349.471 3.041 50 0 EGAARO COCC[N@H+](Cc1cccs1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055060784 258061317 /nfs/dbraw/zinc/06/13/17/258061317.db2.gz FZLGLKTYZNJVHB-UHFFFAOYSA-N 1 0 335.425 3.134 50 0 EGAARO Cc1cc(=O)[nH]c(C)c1C(=O)NCC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000299760045 258077402 /nfs/dbraw/zinc/07/74/02/258077402.db2.gz UJEINFLIUWJXGK-QGZVFWFLSA-N 1 0 345.487 3.321 50 0 EGAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1ccc(Br)cc1 ZINC000000536343 274217802 /nfs/dbraw/zinc/21/78/02/274217802.db2.gz RFSYYKWFTYAFJF-LBPRGKRZSA-N 1 0 326.234 3.480 50 0 EGAARO OC1(c2cccnc2)CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095502174 275045266 /nfs/dbraw/zinc/04/52/66/275045266.db2.gz XXDGOXJTKYJDAB-KRWDZBQOSA-N 1 0 338.451 3.006 50 0 EGAARO c1cnc(N2CCC([C@H]3CC[N@@H+](C4Cc5ccccc5C4)C3)CC2)nc1 ZINC000011933246 275073317 /nfs/dbraw/zinc/07/33/17/275073317.db2.gz IBXDDSMLQMRXNP-FQEVSTJZSA-N 1 0 348.494 3.182 50 0 EGAARO CCSc1nc2c3c(sc2c(NCC[NH3+])n1)CC(C)(C)OC3 ZINC000006756632 280064777 /nfs/dbraw/zinc/06/47/77/280064777.db2.gz XRQXXWUWHZQGFP-UHFFFAOYSA-N 1 0 338.502 3.025 50 0 EGAARO Cc1nc2c(c(N(C)Cc3ccccc3C(F)(F)F)n1)CC[NH2+]C2 ZINC000071760274 282008312 /nfs/dbraw/zinc/00/83/12/282008312.db2.gz VWDLFFLKNZDOQJ-UHFFFAOYSA-N 1 0 336.361 3.086 50 0 EGAARO O=C(COc1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170421 295527408 /nfs/dbraw/zinc/52/74/08/295527408.db2.gz VLUAYSQKMVYHIC-SFHVURJKSA-N 1 0 330.472 3.323 50 0 EGAARO CC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(Br)s1)[C@H](C)O ZINC000529596058 313364434 /nfs/dbraw/zinc/36/44/34/313364434.db2.gz NTYANPFIRDBYSW-WPRPVWTQSA-N 1 0 344.278 3.150 50 0 EGAARO C[NH+](C)C1(CNS(=O)(=O)Cc2cccc(Cl)c2)CCCCC1 ZINC000558071409 315548926 /nfs/dbraw/zinc/54/89/26/315548926.db2.gz MJPXAGCVFVHCBA-UHFFFAOYSA-N 1 0 344.908 3.024 50 0 EGAARO C[N@H+](CCC(=O)Nc1cc(F)ccc1F)Cc1ccc2c(c1)OCO2 ZINC000240499964 455263803 /nfs/dbraw/zinc/26/38/03/455263803.db2.gz NPODDJSSPURZIL-UHFFFAOYSA-N 1 0 348.349 3.154 50 0 EGAARO COc1ccc(C[N@H+](CCOC(C)=O)C2CCCCC2)cc1OC ZINC000000614905 452631788 /nfs/dbraw/zinc/63/17/88/452631788.db2.gz CYTBJYODFJLFKW-UHFFFAOYSA-N 1 0 335.444 3.402 50 0 EGAARO CC[C@@]12CCC[N@@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000001280297 452650206 /nfs/dbraw/zinc/65/02/06/452650206.db2.gz GIGFIWJRTMBSRP-HBMCJLEFSA-N 1 0 338.451 3.445 50 0 EGAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000001669896 452672061 /nfs/dbraw/zinc/67/20/61/452672061.db2.gz XOSQJWVRVGVDDK-UHFFFAOYSA-N 1 0 340.423 3.438 50 0 EGAARO O=C(OCCC[NH+]1CCCC1)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000002250645 452691232 /nfs/dbraw/zinc/69/12/32/452691232.db2.gz VJRIVRIPFPYGLK-NRFANRHFSA-N 1 0 345.483 3.484 50 0 EGAARO O=C(NCCc1ccccc1)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000002828199 452727700 /nfs/dbraw/zinc/72/77/00/452727700.db2.gz IRZWZOUEIOMVSR-IBGZPJMESA-N 1 0 326.484 3.414 50 0 EGAARO CC[C@@H](C)[NH2+]CCCOc1ccc(I)cc1 ZINC000002822545 452728052 /nfs/dbraw/zinc/72/80/52/452728052.db2.gz BKVYERZQSONOTC-LLVKDONJSA-N 1 0 333.213 3.448 50 0 EGAARO Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl ZINC000004725324 452814846 /nfs/dbraw/zinc/81/48/46/452814846.db2.gz SKKYQVVJIJXNEZ-UHFFFAOYSA-N 1 0 338.879 3.453 50 0 EGAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000006703640 452974028 /nfs/dbraw/zinc/97/40/28/452974028.db2.gz IWUNAOOVPNSXST-CYBMUJFWSA-N 1 0 335.831 3.398 50 0 EGAARO CCOC(=O)C1CC[NH+](CCOc2cccc(C(F)(F)F)c2)CC1 ZINC000006728626 452978509 /nfs/dbraw/zinc/97/85/09/452978509.db2.gz LGVUBXOBFYFICH-UHFFFAOYSA-N 1 0 345.361 3.359 50 0 EGAARO CCOc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccc(C)cc1 ZINC000006746906 452981698 /nfs/dbraw/zinc/98/16/98/452981698.db2.gz AANPNTGFOMFFGY-MRXNPFEDSA-N 1 0 329.440 3.443 50 0 EGAARO Cc1cc(C)c2[nH]c(C)c(C[N@@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008714108 453226163 /nfs/dbraw/zinc/22/61/63/453226163.db2.gz FOERBJGOIQSZHA-UHFFFAOYSA-N 1 0 327.472 3.392 50 0 EGAARO c1ccc(-n2nnnc2Oc2cccc(C[NH2+]C3CCCC3)c2)cc1 ZINC000013717628 453484121 /nfs/dbraw/zinc/48/41/21/453484121.db2.gz HJIPEZOZSXWMRH-UHFFFAOYSA-N 1 0 335.411 3.487 50 0 EGAARO COc1cccc(CC[C@@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000015064795 453552994 /nfs/dbraw/zinc/55/29/94/453552994.db2.gz FEFDSDZKJUYBMY-IBGZPJMESA-N 1 0 344.499 3.351 50 0 EGAARO Cc1cc(OC(C)(C)C(=O)NC2CC[NH+](C)CC2)cc(C)c1Cl ZINC000016603822 453614443 /nfs/dbraw/zinc/61/44/43/453614443.db2.gz DMQRTPPGGAUTFI-UHFFFAOYSA-N 1 0 338.879 3.325 50 0 EGAARO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000019336266 453656143 /nfs/dbraw/zinc/65/61/43/453656143.db2.gz RHZMWLWHCCJREN-LJQANCHMSA-N 1 0 343.515 3.224 50 0 EGAARO c1ccc(-c2ccc(C[NH+]3CCN(c4ncccn4)CC3)cc2)cc1 ZINC000019537192 453657187 /nfs/dbraw/zinc/65/71/87/453657187.db2.gz XQGAXJSGYIKDFT-UHFFFAOYSA-N 1 0 330.435 3.466 50 0 EGAARO O[C@H](C[NH+]1CCN(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc21 ZINC000019947609 453660634 /nfs/dbraw/zinc/66/06/34/453660634.db2.gz OERCCXODIUIHRC-HXUWFJFHSA-N 1 0 339.414 3.163 50 0 EGAARO CCC[N@H+](CCO)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000023281779 453707749 /nfs/dbraw/zinc/70/77/49/453707749.db2.gz ISVZZIOHAPUZCA-UHFFFAOYSA-N 1 0 329.440 3.479 50 0 EGAARO CC(C)c1cc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n(C)n1 ZINC000082109495 453924806 /nfs/dbraw/zinc/92/48/06/453924806.db2.gz SQQCOOWYIOSNDV-SFHVURJKSA-N 1 0 340.471 3.110 50 0 EGAARO Cc1cc(N2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)cc(C)[nH+]1 ZINC000082138283 453926329 /nfs/dbraw/zinc/92/63/29/453926329.db2.gz ZUXYRNOSDRQQFV-HXUWFJFHSA-N 1 0 335.451 3.077 50 0 EGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2C)C1 ZINC000042784460 454025004 /nfs/dbraw/zinc/02/50/04/454025004.db2.gz PCJGLZNARMGWCW-ZDUSSCGKSA-N 1 0 330.350 3.184 50 0 EGAARO CC(C)(C)c1ccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077320927 454091414 /nfs/dbraw/zinc/09/14/14/454091414.db2.gz JLGSGFPRCZKRQC-OAQYLSRUSA-N 1 0 344.499 3.047 50 0 EGAARO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)nc1 ZINC000077454797 454107728 /nfs/dbraw/zinc/10/77/28/454107728.db2.gz ZOECILOMIZVHOZ-NRFANRHFSA-N 1 0 341.499 3.259 50 0 EGAARO CCCC[C@H]1C(=O)N(C)CCN1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077484987 454111308 /nfs/dbraw/zinc/11/13/08/454111308.db2.gz LDVIAMUARCTPPK-SFHVURJKSA-N 1 0 349.544 3.177 50 0 EGAARO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000077505834 454115241 /nfs/dbraw/zinc/11/52/41/454115241.db2.gz NPXDSLAKLSAYRM-SFHVURJKSA-N 1 0 327.476 3.097 50 0 EGAARO 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CO[C@H]1C[N@H+](CCOc2cccc(C)c2C)C[C@H]1Cc1cc(C)no1 ZINC001704342206 1416449450 /nfs/dbraw/zinc/44/94/50/1416449450.db2.gz KOVVDYJARYVUIJ-XLIONFOSSA-N 1 0 344.455 3.168 50 0 EGAARO COc1cc2c(cc1OC)C1(CCN(c3cc[nH+]cc3)CC1)OCC2 ZINC001704353296 1416453880 /nfs/dbraw/zinc/45/38/80/1416453880.db2.gz MHWMVCPOPYJJJZ-UHFFFAOYSA-N 1 0 340.423 3.167 50 0 EGAARO CC(C)=CCC/C(C)=C/C[N@H+]1CCCN(C(=O)c2ccnn2C)CC1 ZINC001772709244 1441417052 /nfs/dbraw/zinc/41/70/52/1441417052.db2.gz IPEYSXXWGHYMQL-VCHYOVAHSA-N 1 0 344.503 3.261 50 0 EGAARO CCC[N@@H+]1C[C@@H]2CN(c3noc(C)n3)C[C@]2(CCc2ccccc2)C1 ZINC001772810831 1441417628 /nfs/dbraw/zinc/41/76/28/1441417628.db2.gz NXRVVVPBPJMBEC-QUCCMNQESA-N 1 0 340.471 3.159 50 0 EGAARO Cn1ccc(C2CC[NH+](Cc3cccc(O)c3Cl)CC2)cc1=O ZINC001772815814 1441417662 /nfs/dbraw/zinc/41/76/62/1441417662.db2.gz XYQUGAKWLUAYNA-UHFFFAOYSA-N 1 0 332.831 3.124 50 0 EGAARO C[NH+](C)CCN(Cc1ccsc1)Cc1cccn1-c1ccccn1 ZINC000055152926 282097863 /nfs/dbraw/zinc/09/78/63/282097863.db2.gz RNCLZYFCJIKQHS-UHFFFAOYSA-N 1 0 340.496 3.498 50 0 EGAARO c1cc(C[NH+]2CCCC2)sc1CN1CCO[C@H](c2cccnc2)C1 ZINC000097675393 219047059 /nfs/dbraw/zinc/04/70/59/219047059.db2.gz JFXLLRXPJQWDHY-IBGZPJMESA-N 1 0 343.496 3.312 50 0 EGAARO CC[C@@H](C)Oc1ccc(C[NH2+]CCN2CCC(O)CC2)cc1Cl ZINC000055042603 214266379 /nfs/dbraw/zinc/26/63/79/214266379.db2.gz KKVFBSCKQIAXDJ-CQSZACIVSA-N 1 0 340.895 3.064 50 0 EGAARO CCOc1ccc(C[N@H+](Cc2c(C)nn(CCO)c2C)C2CC2)cc1 ZINC000055242896 214293670 /nfs/dbraw/zinc/29/36/70/214293670.db2.gz QILWKEYOINYMBY-UHFFFAOYSA-N 1 0 343.471 3.056 50 0 EGAARO CC[NH+](CC)C[C@@H](O)COc1ccc(OCc2ccccc2)cc1 ZINC000004263143 210154569 /nfs/dbraw/zinc/15/45/69/210154569.db2.gz UNXNJXRHWLKQLQ-GOSISDBHSA-N 1 0 329.440 3.347 50 0 EGAARO C[C@@H](COc1ccccc1)[NH2+]C1CCN(c2ccc(Cl)nn2)CC1 ZINC000065395952 214887821 /nfs/dbraw/zinc/88/78/21/214887821.db2.gz XLKPYYDVUOFIJO-AWEZNQCLSA-N 1 0 346.862 3.156 50 0 EGAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]C(C)C)CCCCC2 ZINC000003684111 210073348 /nfs/dbraw/zinc/07/33/48/210073348.db2.gz IELBRIFXKKKFKD-UHFFFAOYSA-N 1 0 338.473 3.130 50 0 EGAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1Cc2ccccc2C1 ZINC000067588110 215165122 /nfs/dbraw/zinc/16/51/22/215165122.db2.gz FMDXTKQGBMJILU-SFHVURJKSA-N 1 0 334.463 3.040 50 0 EGAARO O=C(c1cccc(-c2nc3ccccc3[nH]2)c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000067540095 215158964 /nfs/dbraw/zinc/15/89/64/215158964.db2.gz JIZOGZWXISEVBP-SJORKVTESA-N 1 0 346.434 3.196 50 0 EGAARO C[C@H]1CCCC[N@@H+]1CCN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067643802 215172717 /nfs/dbraw/zinc/17/27/17/215172717.db2.gz GJOLMOVSBBBFBE-SFHVURJKSA-N 1 0 343.515 3.097 50 0 EGAARO CCOc1ccc2oc(C)c(C(=O)NC[C@H]3CCC[N@H+](C)C3)c2c1 ZINC000067674371 215178768 /nfs/dbraw/zinc/17/87/68/215178768.db2.gz UTUHXHAGGLCJFF-CQSZACIVSA-N 1 0 330.428 3.212 50 0 EGAARO CC(=O)NC[C@@H]1CCC[N@H+](C/C(C)=C/c2cc(Cl)ccc2O)C1 ZINC000067692139 215187045 /nfs/dbraw/zinc/18/70/45/215187045.db2.gz UQKIELUHHFEOCQ-NRUITVPNSA-N 1 0 336.863 3.297 50 0 EGAARO C[C@@H](C(=O)NCc1cccnc1Oc1ccccc1F)n1ccnc1 ZINC000067833436 215223529 /nfs/dbraw/zinc/22/35/29/215223529.db2.gz CXBKYBQBUCSXFM-ZDUSSCGKSA-N 1 0 340.358 3.087 50 0 EGAARO Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)CC1=CC[NH2+]CC1 ZINC000067840633 215225794 /nfs/dbraw/zinc/22/57/94/215225794.db2.gz QVDFYBRTADGOMY-UHFFFAOYSA-N 1 0 342.468 3.426 50 0 EGAARO CC(C)=CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067850889 215231713 /nfs/dbraw/zinc/23/17/13/215231713.db2.gz RMDQKVARAGPGST-INIZCTEOSA-N 1 0 325.456 3.462 50 0 EGAARO COc1ccc(-c2nc(CN(C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c(F)c1 ZINC000067855480 215232889 /nfs/dbraw/zinc/23/28/89/215232889.db2.gz DHYPTIUENCQXOQ-CQSZACIVSA-N 1 0 347.434 3.229 50 0 EGAARO CC(C)[N@@H+]1CCN(Cc2ccccc2OC2CCCC2)C[C@H]1CCO ZINC000104372421 219379822 /nfs/dbraw/zinc/37/98/22/219379822.db2.gz XFPKLITVRMKDLQ-LJQANCHMSA-N 1 0 346.515 3.285 50 0 EGAARO Cc1c[nH+]ccc1NCCn1ccnc1-c1cc2c(cc1C)OCO2 ZINC000072122429 216014905 /nfs/dbraw/zinc/01/49/05/216014905.db2.gz WGKHFRXCHKKKPE-UHFFFAOYSA-N 1 0 336.395 3.403 50 0 EGAARO C=Cc1cccc(C[NH+]2CCC3(CCN(C(=O)COC)CC3)CC2)c1 ZINC000072150196 216038118 /nfs/dbraw/zinc/03/81/18/216038118.db2.gz CGPKRWLRJWBUNS-UHFFFAOYSA-N 1 0 342.483 3.181 50 0 EGAARO COCc1ncc(C[N@@H+]2CCCC[C@@H]2CCc2cccc(O)c2)cn1 ZINC000072151865 216039975 /nfs/dbraw/zinc/03/99/75/216039975.db2.gz PAUTXJOGXAOXGR-GOSISDBHSA-N 1 0 341.455 3.316 50 0 EGAARO COc1ccccc1[C@H]1C[N@H+](Cc2cccnc2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072154617 216043251 /nfs/dbraw/zinc/04/32/51/216043251.db2.gz JYVXBIUNSQVBAR-CEMLEFRQSA-N 1 0 349.478 3.152 50 0 EGAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)cc(=O)[nH]1 ZINC000072155003 216044166 /nfs/dbraw/zinc/04/41/66/216044166.db2.gz IBODSAFBHXBEPX-MRXNPFEDSA-N 1 0 334.423 3.006 50 0 EGAARO Cc1cnn(CCC[N@@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072159374 216049217 /nfs/dbraw/zinc/04/92/17/216049217.db2.gz KKKSHLXBWFLKGF-LJQANCHMSA-N 1 0 325.456 3.105 50 0 EGAARO COc1cc(F)c(CN(C)C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC ZINC000072168357 216059837 /nfs/dbraw/zinc/05/98/37/216059837.db2.gz OAVNGFOSMVGMPT-OAHLLOKOSA-N 1 0 338.467 3.395 50 0 EGAARO O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000072169430 216060728 /nfs/dbraw/zinc/06/07/28/216060728.db2.gz FQWABFLRVWIWLL-OAHLLOKOSA-N 1 0 343.496 3.316 50 0 EGAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 ZINC000072411454 216203663 /nfs/dbraw/zinc/20/36/63/216203663.db2.gz SFUWQBGMRVYTQZ-IBGZPJMESA-N 1 0 325.456 3.317 50 0 EGAARO c1cn([C@H]2CC[NH2+]C2)c(-c2cnc(SCc3ccccc3)nc2)n1 ZINC000072411595 216203695 /nfs/dbraw/zinc/20/36/95/216203695.db2.gz WMECOCDHQLUFEV-INIZCTEOSA-N 1 0 337.452 3.167 50 0 EGAARO c1ccc(CNc2ncnc3c2CC[N@H+](C[C@@H]2CC=CCC2)CC3)nc1 ZINC000072419486 216207460 /nfs/dbraw/zinc/20/74/60/216207460.db2.gz PFYACMCUWCDATL-QGZVFWFLSA-N 1 0 349.482 3.241 50 0 EGAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072430032 216221557 /nfs/dbraw/zinc/22/15/57/216221557.db2.gz JSXPQUULWQETMW-LJQANCHMSA-N 1 0 346.515 3.337 50 0 EGAARO CC(C)Oc1cccc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)c1 ZINC000072468935 216248946 /nfs/dbraw/zinc/24/89/46/216248946.db2.gz TWELDJFLEFSNCV-UHFFFAOYSA-N 1 0 337.427 3.016 50 0 EGAARO O=c1cc(C(F)F)nc(-c2cccc(C[N@@H+]3CCCOCC3)c2)[nH]1 ZINC000023379526 212371831 /nfs/dbraw/zinc/37/18/31/212371831.db2.gz QWTUZAASESNGLB-UHFFFAOYSA-N 1 0 335.354 3.009 50 0 EGAARO CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)cc1 ZINC000023374773 212373235 /nfs/dbraw/zinc/37/32/35/212373235.db2.gz VRUGYCOJJYOQFJ-NRFANRHFSA-N 1 0 340.515 3.373 50 0 EGAARO CN(C)c1ncc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC000023358232 212370169 /nfs/dbraw/zinc/37/01/69/212370169.db2.gz VPLMNHKFPMRUJL-QGZVFWFLSA-N 1 0 344.528 3.306 50 0 EGAARO CCn1ccnc1CN(C)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000022910573 212332987 /nfs/dbraw/zinc/33/29/87/212332987.db2.gz HKOGFGVAPZGRHS-FQEVSTJZSA-N 1 0 340.515 3.432 50 0 EGAARO COc1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc(OC)c1 ZINC000022766911 212322471 /nfs/dbraw/zinc/32/24/71/212322471.db2.gz IOFRWFYMIJOVNQ-MRXNPFEDSA-N 1 0 349.456 3.190 50 0 EGAARO COCCc1noc([C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000214989249 241100237 /nfs/dbraw/zinc/10/02/37/241100237.db2.gz ZJAPEJZVULGHRS-OAHLLOKOSA-N 1 0 340.427 3.119 50 0 EGAARO CCc1ncc(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)cn1 ZINC000215262538 241113795 /nfs/dbraw/zinc/11/37/95/241113795.db2.gz VVAGNAZDGUXNDV-INIZCTEOSA-N 1 0 335.455 3.305 50 0 EGAARO OC[C@]1(O)CC[N@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000215706033 241140360 /nfs/dbraw/zinc/14/03/60/241140360.db2.gz CPZLQSFJJCIUIY-INIZCTEOSA-N 1 0 342.222 3.183 50 0 EGAARO COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1OCC=C(C)C ZINC000215749206 241143791 /nfs/dbraw/zinc/14/37/91/241143791.db2.gz DSARIJMYQMEVLK-ZWKOTPCHSA-N 1 0 330.472 3.176 50 0 EGAARO CCc1nccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000216301949 241180363 /nfs/dbraw/zinc/18/03/63/241180363.db2.gz YQKYAYPYQUTNMZ-MRXNPFEDSA-N 1 0 349.438 3.469 50 0 EGAARO Cc1ccc(-c2ccccc2CN2CCC[C@@](CO)(C[NH+](C)C)C2)o1 ZINC000216522054 241197305 /nfs/dbraw/zinc/19/73/05/241197305.db2.gz XHOJWBJRNZZGMB-OAQYLSRUSA-N 1 0 342.483 3.391 50 0 EGAARO c1nnc([C@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)nc3)C2)[nH]1 ZINC000216515183 241197857 /nfs/dbraw/zinc/19/78/57/241197857.db2.gz SRCKGIUEYQARTR-INIZCTEOSA-N 1 0 326.448 3.022 50 0 EGAARO O=C(C[NH2+]C1CC1)N(Cc1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000215403538 241123088 /nfs/dbraw/zinc/12/30/88/241123088.db2.gz RZDFAQJSWVHZEO-HXUWFJFHSA-N 1 0 335.451 3.240 50 0 EGAARO CCCn1ccnc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000215563488 241130960 /nfs/dbraw/zinc/13/09/60/241130960.db2.gz ACQJSFZRPAPDKD-LJQANCHMSA-N 1 0 326.488 3.247 50 0 EGAARO CSc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000022023265 212271512 /nfs/dbraw/zinc/27/15/12/212271512.db2.gz OCEHNWSDBTZKPF-CVEARBPZSA-N 1 0 326.465 3.190 50 0 EGAARO C[C@H](CCC(=O)N1CCCN(c2ccc(F)cc2)CC1)[NH+]1CCCC1 ZINC000222680194 241542087 /nfs/dbraw/zinc/54/20/87/241542087.db2.gz ZEZOPQVVOQQKMN-QGZVFWFLSA-N 1 0 347.478 3.129 50 0 EGAARO Fc1cccc([C@]2(CN3CC[NH+](CC4CCCC4)CC3)CCOC2)c1 ZINC000020996974 212196658 /nfs/dbraw/zinc/19/66/58/212196658.db2.gz VTFXVCLXRJEGHR-NRFANRHFSA-N 1 0 346.490 3.292 50 0 EGAARO C[N@@H+]1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@@H]1CCO ZINC000020994523 212195121 /nfs/dbraw/zinc/19/51/21/212195121.db2.gz INQYXBDWBAKYFL-AWEZNQCLSA-N 1 0 334.847 3.098 50 0 EGAARO C[N@H+](CCc1nc2ccccc2[nH]1)Cc1cncn1Cc1ccccc1 ZINC000244708357 243064394 /nfs/dbraw/zinc/06/43/94/243064394.db2.gz KSGUNBHCBIAWMN-UHFFFAOYSA-N 1 0 345.450 3.482 50 0 EGAARO Cc1nccn1CCC[N@@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244659684 243050240 /nfs/dbraw/zinc/05/02/40/243050240.db2.gz HHFFWCRHCMBCSM-UHFFFAOYSA-N 1 0 331.851 3.286 50 0 EGAARO O=C(Cc1ccccn1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000244764155 243076688 /nfs/dbraw/zinc/07/66/88/243076688.db2.gz PCGYYEDLNBWGSG-HXUWFJFHSA-N 1 0 337.467 3.358 50 0 EGAARO CC(C)C[C@@H]1COCC[N@@H+]1CCC(=O)NCc1cccc(Cl)c1 ZINC000244723589 243069983 /nfs/dbraw/zinc/06/99/83/243069983.db2.gz MEDXVSVWHBZIDQ-QGZVFWFLSA-N 1 0 338.879 3.093 50 0 EGAARO CN(CCC[NH+]1CCCCC1)C(=O)c1ccc2cccc(F)c2n1 ZINC000020598874 212151007 /nfs/dbraw/zinc/15/10/07/212151007.db2.gz UPRLLSQFKOMHBS-UHFFFAOYSA-N 1 0 329.419 3.322 50 0 EGAARO Cc1cc(C[NH+]2CCC(n3cc(-c4ccc(C)cc4)nn3)CC2)[nH]n1 ZINC000020598694 212150832 /nfs/dbraw/zinc/15/08/32/212150832.db2.gz JQFFCZSKSRVBSB-UHFFFAOYSA-N 1 0 336.443 3.122 50 0 EGAARO OCC[C@@H]1CN(Cc2cccc3cnccc32)CC[N@@H+]1C1CCCC1 ZINC000020540716 212145370 /nfs/dbraw/zinc/14/53/70/212145370.db2.gz SPDYTIXLAOAVRK-HXUWFJFHSA-N 1 0 339.483 3.046 50 0 EGAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccccc1OC(F)F)C2 ZINC000019773771 212064388 /nfs/dbraw/zinc/06/43/88/212064388.db2.gz JWFDDMFMHJEGDK-AWEZNQCLSA-N 1 0 335.350 3.390 50 0 EGAARO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)cc(Cl)c1OC ZINC000019366893 212022773 /nfs/dbraw/zinc/02/27/73/212022773.db2.gz ZEENNJGDHOKPNN-CQSZACIVSA-N 1 0 326.868 3.321 50 0 EGAARO COc1cccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019360223 212021480 /nfs/dbraw/zinc/02/14/80/212021480.db2.gz OZMANBDQGFOPQR-UHFFFAOYSA-N 1 0 335.451 3.494 50 0 EGAARO COc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000019210282 212004447 /nfs/dbraw/zinc/00/44/47/212004447.db2.gz UTNSDOPFVVALRA-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)C(C)(C)Oc2cccc(Cl)c2)CC1 ZINC000012382469 211363361 /nfs/dbraw/zinc/36/33/61/211363361.db2.gz DSGFJQUZLRXZLQ-UHFFFAOYSA-N 1 0 338.879 3.486 50 0 EGAARO O=C1N(CC2CCC2)CCC[C@]12CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000012209065 211319691 /nfs/dbraw/zinc/31/96/91/211319691.db2.gz KZNVQJDTMVRXLK-HXUWFJFHSA-N 1 0 328.456 3.007 50 0 EGAARO C/C=C(\C)C[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000011879897 211264187 /nfs/dbraw/zinc/26/41/87/211264187.db2.gz KBBGUJCRKSHFIZ-RRIZPTRRSA-N 1 0 326.362 3.362 50 0 EGAARO CSCCC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000011874951 211263616 /nfs/dbraw/zinc/26/36/16/211263616.db2.gz WNTFEVVCMGVUFK-SFHVURJKSA-N 1 0 334.529 3.153 50 0 EGAARO Cc1ccc(C[C@@H](C)[N@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000011910989 211267227 /nfs/dbraw/zinc/26/72/27/211267227.db2.gz CPVLWVXAKGRYJN-GOSISDBHSA-N 1 0 337.467 3.056 50 0 EGAARO Cc1cccc(-n2cc(C[N@H+](C)CCO)c(-c3cccc(F)c3)n2)c1 ZINC000011838875 211253600 /nfs/dbraw/zinc/25/36/00/211253600.db2.gz XSGWUSAUEXMQTK-UHFFFAOYSA-N 1 0 339.414 3.411 50 0 EGAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000011714141 211240633 /nfs/dbraw/zinc/24/06/33/211240633.db2.gz DKTMPPLHBNZBGN-QGZVFWFLSA-N 1 0 344.455 3.190 50 0 EGAARO C[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3F)c2)CC[C@@]1(O)C1CCC1 ZINC000091663086 218042444 /nfs/dbraw/zinc/04/24/44/218042444.db2.gz GVOIYHYEOWHKSD-QRWLVFNGSA-N 1 0 343.446 3.384 50 0 EGAARO CC(C)(C)c1ccc(C(=O)[C@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)cc1 ZINC000091677328 218046101 /nfs/dbraw/zinc/04/61/01/218046101.db2.gz AQCXAOJKEVLCLE-HNNXBMFYSA-N 1 0 330.472 3.143 50 0 EGAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cccc4nonc43)C2)cc1 ZINC000011661690 211229930 /nfs/dbraw/zinc/22/99/30/211229930.db2.gz XYZLMMBZBWWGAG-MRXNPFEDSA-N 1 0 326.375 3.438 50 0 EGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cc(OC)ccc1F)CC2 ZINC000092096648 218118539 /nfs/dbraw/zinc/11/85/39/218118539.db2.gz QOIUSXRJJQXDIE-UHFFFAOYSA-N 1 0 334.435 3.059 50 0 EGAARO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000010544205 211179780 /nfs/dbraw/zinc/17/97/80/211179780.db2.gz RHADBQQNRGQFSO-HNNXBMFYSA-N 1 0 344.908 3.273 50 0 EGAARO COc1ccccc1C1CCN(C(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC000095356151 218289908 /nfs/dbraw/zinc/28/99/08/218289908.db2.gz PRHWBULPRVEFMN-GOSISDBHSA-N 1 0 330.472 3.276 50 0 EGAARO CC[NH+]1CCC(CC(=O)N2CCCC[C@H]2c2nc(C(C)C)no2)CC1 ZINC000095356799 218290213 /nfs/dbraw/zinc/29/02/13/218290213.db2.gz YOTYORZFGDOCRM-INIZCTEOSA-N 1 0 348.491 3.369 50 0 EGAARO Cc1c[nH+]ccc1N1CCC[C@H](c2nccn2Cc2ccccn2)C1 ZINC000095374740 218307452 /nfs/dbraw/zinc/30/74/52/218307452.db2.gz JHZWJWDZTDLZQI-KRWDZBQOSA-N 1 0 333.439 3.414 50 0 EGAARO Cc1ccc(OC2CCN(C(=O)CC[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000095370258 218303334 /nfs/dbraw/zinc/30/33/34/218303334.db2.gz LICKRRUXBVRVHJ-SFHVURJKSA-N 1 0 344.499 3.487 50 0 EGAARO O=C(c1ccc(F)c(F)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095375905 218308978 /nfs/dbraw/zinc/30/89/78/218308978.db2.gz UWGRTRBCGMHPFB-GDBMZVCRSA-N 1 0 334.410 3.301 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(-c2ccccc2F)no1 ZINC000095385827 218317683 /nfs/dbraw/zinc/31/76/83/218317683.db2.gz FQBYJJGXSJQRMM-CQSZACIVSA-N 1 0 345.418 3.361 50 0 EGAARO CCCn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095392010 218323735 /nfs/dbraw/zinc/32/37/35/218323735.db2.gz QSOFOPFASJUDCF-VQTJNVASSA-N 1 0 338.499 3.390 50 0 EGAARO COc1ccc([C@@H](CNC(=O)OCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000007715385 210837250 /nfs/dbraw/zinc/83/72/50/210837250.db2.gz OJMAOEAKLWXYSQ-CQSZACIVSA-N 1 0 346.349 3.121 50 0 EGAARO Cc1cc(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)cnc1C ZINC000097394102 219021411 /nfs/dbraw/zinc/02/14/11/219021411.db2.gz RALADMYZKBPJKV-IBGZPJMESA-N 1 0 337.467 3.340 50 0 EGAARO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Cl ZINC000097492500 219029686 /nfs/dbraw/zinc/02/96/86/219029686.db2.gz JGGJARRKZJGUFN-ZDUSSCGKSA-N 1 0 334.769 3.459 50 0 EGAARO CCN(c1ncnc2sc3c(c21)CC[NH2+]C3)[C@H]1CCOC(C)(C)C1 ZINC000065397359 285147864 /nfs/dbraw/zinc/14/78/64/285147864.db2.gz KPJKQFZZXYBNNQ-LBPRGKRZSA-N 1 0 346.500 3.121 50 0 EGAARO [NH3+]Cc1nnc(SCC[C@@H]2CC2(F)F)n1-c1ccc(F)cc1 ZINC000426531838 257965012 /nfs/dbraw/zinc/96/50/12/257965012.db2.gz SZBNQSHSCNNNAT-SECBINFHSA-N 1 0 328.363 3.003 50 0 EGAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000299770717 258083403 /nfs/dbraw/zinc/08/34/03/258083403.db2.gz QIKXRQJYZJIHKI-CJNGLKHVSA-N 1 0 328.387 3.186 50 0 EGAARO Cc1ccc2[nH]c(C(=O)NCC3CC[NH+](CC4CC4)CC3)cc2c1 ZINC000299772009 258083956 /nfs/dbraw/zinc/08/39/56/258083956.db2.gz ZPSQRECKTLAIKM-UHFFFAOYSA-N 1 0 325.456 3.328 50 0 EGAARO Cc1ccc(C(=O)N(C)Cc2ccccc2F)c(OCCC[NH3+])c1 ZINC000299779135 258088536 /nfs/dbraw/zinc/08/85/36/258088536.db2.gz PXSZPTIVEVLVHW-UHFFFAOYSA-N 1 0 330.403 3.134 50 0 EGAARO Cc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000299791360 258096947 /nfs/dbraw/zinc/09/69/47/258096947.db2.gz DJZNJVCUBJXYJW-SFHVURJKSA-N 1 0 331.460 3.068 50 0 EGAARO C[C@@H](CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccccn1)c1ccccc1 ZINC000299756084 258074324 /nfs/dbraw/zinc/07/43/24/258074324.db2.gz COCSWJMAFKHGAU-FXAWDEMLSA-N 1 0 337.467 3.356 50 0 EGAARO CC(=O)Nc1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)c1 ZINC000299756870 258075175 /nfs/dbraw/zinc/07/51/75/258075175.db2.gz IEZRVHRUUMKSBX-SFHVURJKSA-N 1 0 344.459 3.127 50 0 EGAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1Cc1ccccc1 ZINC000299766893 258081655 /nfs/dbraw/zinc/08/16/55/258081655.db2.gz UNKAUALZPWPRNH-UXHICEINSA-N 1 0 343.515 3.078 50 0 EGAARO Oc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000035605946 132389860 /nfs/dbraw/zinc/38/98/60/132389860.db2.gz OKFVRWIPUPOJRW-UHFFFAOYSA-N 1 0 347.256 3.477 50 0 EGAARO COc1cc2c(cc1OC)-c1cc3ccc4c(c3c[n+]1CC2)OCO4 ZINC000006017816 274102716 /nfs/dbraw/zinc/10/27/16/274102716.db2.gz FPJQGFLUORYYPE-UHFFFAOYSA-N 1 0 336.367 3.096 50 0 biogenic,in-vitro EGAARO COc1cc2[nH+]c(N3CCSCC3)cc(C)c2c(OC)c1OC ZINC000023634844 274103017 /nfs/dbraw/zinc/10/30/17/274103017.db2.gz XDIBUYOYKBFNBU-UHFFFAOYSA-N 1 0 334.441 3.122 50 0 EGAARO COc1ccc([C@@H]2CN(c3ncncc3C(C)C)C[C@H]2[NH+](C)C)cc1 ZINC000091651337 277928384 /nfs/dbraw/zinc/92/83/84/277928384.db2.gz JGJFNAOJBFMUAY-RBUKOAKNSA-N 1 0 340.471 3.143 50 0 EGAARO O=C(NCc1c(F)cccc1Cl)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264552955 455235933 /nfs/dbraw/zinc/23/59/33/455235933.db2.gz DCEKAMSCELDEJF-ZDUSSCGKSA-N 1 0 339.842 3.249 50 0 EGAARO CC(C)c1nnsc1CN1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000244852757 455276719 /nfs/dbraw/zinc/27/67/19/455276719.db2.gz UYDJAWWDWUIYMC-CYBMUJFWSA-N 1 0 330.457 3.151 50 0 EGAARO COc1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1OC ZINC000000239659 452543192 /nfs/dbraw/zinc/54/31/92/452543192.db2.gz MRYKBYYRAIPCLI-JKSUJKDBSA-N 1 0 346.471 3.040 50 0 EGAARO CCOc1cc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)ccc1O ZINC000000299631 452556740 /nfs/dbraw/zinc/55/67/40/452556740.db2.gz RAHYWQGEPMAUDQ-UHFFFAOYSA-N 1 0 348.487 3.165 50 0 EGAARO O=C(CN1CC[n+]2c(-c3cccs3)csc21)c1ccccc1 ZINC000000446922 452595550 /nfs/dbraw/zinc/59/55/50/452595550.db2.gz WIJSHSKSCARNRO-UHFFFAOYSA-N 1 0 327.454 3.467 50 0 EGAARO Cn1cc([C@@H](CN2C(=O)c3ccccc3C2=O)[NH+](C)C)c2ccccc21 ZINC000000494136 452608075 /nfs/dbraw/zinc/60/80/75/452608075.db2.gz QWQXNGCWPCTILQ-LJQANCHMSA-N 1 0 347.418 3.077 50 0 EGAARO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000000522387 452612849 /nfs/dbraw/zinc/61/28/49/452612849.db2.gz XYWLHQVSNXLWKF-UHFFFAOYSA-N 1 0 343.427 3.158 50 0 EGAARO O=C(OCCC[NH+]1CCCC1)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000002250644 452691199 /nfs/dbraw/zinc/69/11/99/452691199.db2.gz VJRIVRIPFPYGLK-OAQYLSRUSA-N 1 0 345.483 3.484 50 0 EGAARO C[C@H](O)C[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000002879726 452732300 /nfs/dbraw/zinc/73/23/00/452732300.db2.gz UFRBJNAUJDLKEN-KRWDZBQOSA-N 1 0 329.440 3.395 50 0 EGAARO COc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1OC ZINC000002920193 452735269 /nfs/dbraw/zinc/73/52/69/452735269.db2.gz XQRUAQPJPDZNAL-WBVHZDCISA-N 1 0 346.471 3.040 50 0 EGAARO C[N@@H+]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000006725815 452977934 /nfs/dbraw/zinc/97/79/34/452977934.db2.gz JLPTWZUTEYJCRB-UHFFFAOYSA-N 1 0 345.270 3.317 50 0 EGAARO C/C=C/c1ccc(OCC[N@H+]2CCC[C@H](C(=O)OCC)C2)c(OC)c1 ZINC000006727647 452978256 /nfs/dbraw/zinc/97/82/56/452978256.db2.gz XPVNXSSVKLVVCF-PFWMLDTASA-N 1 0 347.455 3.382 50 0 EGAARO Cc1cccc(O[C@@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)c1C ZINC000008673936 453222803 /nfs/dbraw/zinc/22/28/03/453222803.db2.gz YWNCFTQFYSEPDT-KRWDZBQOSA-N 1 0 332.488 3.451 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)cc1 ZINC000011813228 453335465 /nfs/dbraw/zinc/33/54/65/453335465.db2.gz AOQUATNEAKYVDK-OAQYLSRUSA-N 1 0 342.483 3.310 50 0 EGAARO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000013323126 453457176 /nfs/dbraw/zinc/45/71/76/453457176.db2.gz JZJDJECOWFSHOU-UHFFFAOYSA-N 1 0 326.238 3.047 50 0 EGAARO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000014967288 453549532 /nfs/dbraw/zinc/54/95/32/453549532.db2.gz OHVWRNRDKKHIDJ-GOSISDBHSA-N 1 0 326.440 3.333 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](CCc3cccc(F)c3)C2)CC1 ZINC000015071474 453555345 /nfs/dbraw/zinc/55/53/45/453555345.db2.gz QEHZRGZRUBRVSH-SFHVURJKSA-N 1 0 332.463 3.481 50 0 EGAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CC[NH+](C)CC1 ZINC000016580726 453613348 /nfs/dbraw/zinc/61/33/48/453613348.db2.gz YKHAPWFJERUIPF-UHFFFAOYSA-N 1 0 333.819 3.127 50 0 EGAARO C/C=C(\C)C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020536243 453665855 /nfs/dbraw/zinc/66/58/55/453665855.db2.gz LAPBFFNKCXHAGV-ZPRVWAONSA-N 1 0 331.479 3.378 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cc(F)c(F)cc2F)CC1 ZINC000082136765 453925879 /nfs/dbraw/zinc/92/58/79/453925879.db2.gz BCHMGSPIEGDNKZ-UHFFFAOYSA-N 1 0 349.356 3.160 50 0 EGAARO CCCc1ccc(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)o1 ZINC000067642083 453952124 /nfs/dbraw/zinc/95/21/24/453952124.db2.gz IROQPQXHYWOFMO-ZWKOTPCHSA-N 1 0 343.423 3.311 50 0 EGAARO Cc1cc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(C)[nH+]1 ZINC000077319662 454090214 /nfs/dbraw/zinc/09/02/14/454090214.db2.gz NHNAYDYUSCTYOZ-UHFFFAOYSA-N 1 0 335.860 3.376 50 0 EGAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000077337408 454093524 /nfs/dbraw/zinc/09/35/24/454093524.db2.gz JZHPBNZLSRFPMT-OAHLLOKOSA-N 1 0 341.455 3.301 50 0 EGAARO CN1CC2(CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)OC1=O ZINC000077437381 454106189 /nfs/dbraw/zinc/10/61/89/454106189.db2.gz QMXUHIBJNZHYNM-UHFFFAOYSA-N 1 0 344.333 3.002 50 0 EGAARO Cc1csc(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000057154991 454107228 /nfs/dbraw/zinc/10/72/28/454107228.db2.gz AKQRJJHRSOIFFG-UHFFFAOYSA-N 1 0 343.496 3.022 50 0 EGAARO CCn1ccc2ccc(CN3CC[C@](O)(C[NH+]4CCCCC4)C3)cc21 ZINC000077470597 454109913 /nfs/dbraw/zinc/10/99/13/454109913.db2.gz QPZXEYUZIIMYGA-NRFANRHFSA-N 1 0 341.499 3.084 50 0 EGAARO CCn1ccc2ccc(CN3CC[C@@](O)(C[NH+]4CCCCC4)C3)cc21 ZINC000077470598 454110138 /nfs/dbraw/zinc/11/01/38/454110138.db2.gz QPZXEYUZIIMYGA-OAQYLSRUSA-N 1 0 341.499 3.084 50 0 EGAARO CCC1=C[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000057297068 454119275 /nfs/dbraw/zinc/11/92/75/454119275.db2.gz CMKFQVZJOWHHDV-NQZBTDCJSA-N 1 0 336.435 3.175 50 0 biogenic,investigational EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000095384387 454199852 /nfs/dbraw/zinc/19/98/52/454199852.db2.gz NWQPTBBBIBMVOF-LJQANCHMSA-N 1 0 335.451 3.159 50 0 EGAARO Cc1cccc2cc(C(=O)N3CCC4(CC[NH2+]CC4)CC3)c(C)nc12 ZINC000071615266 454210212 /nfs/dbraw/zinc/21/02/12/454210212.db2.gz JQYVJDFKFYXNBH-UHFFFAOYSA-N 1 0 337.467 3.457 50 0 EGAARO COc1ccc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cc1O ZINC000071774719 454218165 /nfs/dbraw/zinc/21/81/65/454218165.db2.gz LPKQHJZJPXKNMY-SFHVURJKSA-N 1 0 332.488 3.343 50 0 EGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000095498154 454220777 /nfs/dbraw/zinc/22/07/77/454220777.db2.gz ROWAQDSGNRAOND-SFHVURJKSA-N 1 0 346.519 3.121 50 0 EGAARO C[C@@H](O)c1cccc(N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000095508901 454225208 /nfs/dbraw/zinc/22/52/08/454225208.db2.gz PEOOWHNEHHTOAK-GOSISDBHSA-N 1 0 339.483 3.280 50 0 EGAARO O=C1[C@H]2CC[C@H](C[N@@H+](C3CCCCCC3)C2)N1Cc1cscn1 ZINC000095509718 454225354 /nfs/dbraw/zinc/22/53/54/454225354.db2.gz SOEYIGZMGKGGAB-WMLDXEAASA-N 1 0 333.501 3.289 50 0 EGAARO C[NH+]1CCC(Cc2nc([C@@H]3CCOC3)n(C3CCCCC3)n2)CC1 ZINC000095525482 454228000 /nfs/dbraw/zinc/22/80/00/454228000.db2.gz OHFIKBOHDIQEEC-MRXNPFEDSA-N 1 0 332.492 3.172 50 0 EGAARO CCC[C@@H]1CN(C(=O)c2cc3ccccc3cc2O)C[C@H]1[NH+](C)C ZINC000095528074 454228893 /nfs/dbraw/zinc/22/88/93/454228893.db2.gz BKVUIFWWSMLQSD-SJLPKXTDSA-N 1 0 326.440 3.348 50 0 EGAARO COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2=O)c1C ZINC000072156582 454272915 /nfs/dbraw/zinc/27/29/15/454272915.db2.gz IELRRRFHEJYPQW-KRWDZBQOSA-N 1 0 345.487 3.074 50 0 EGAARO C[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1O ZINC000096166758 454296740 /nfs/dbraw/zinc/29/67/40/454296740.db2.gz HFJKZOLEEOUWKK-OALUTQOASA-N 1 0 331.843 3.325 50 0 EGAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1cccc2ccccc21 ZINC000090699903 454336280 /nfs/dbraw/zinc/33/62/80/454336280.db2.gz QUAMLUSFJIDSFI-INIZCTEOSA-N 1 0 328.481 3.349 50 0 EGAARO O=C(NCc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303051 454355215 /nfs/dbraw/zinc/35/52/15/454355215.db2.gz MQAHKSLGDGYNKG-UHFFFAOYSA-N 1 0 326.415 3.354 50 0 EGAARO Cc1ccc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)c1 ZINC000091325934 454427255 /nfs/dbraw/zinc/42/72/55/454427255.db2.gz AMNZDMCYGZTLQI-WIYYLYMNSA-N 1 0 349.478 3.435 50 0 EGAARO CCC[C@@H](C)[NH+]1CCC(n2cc(CN3CCCCCC3)nn2)CC1 ZINC000048445017 454489915 /nfs/dbraw/zinc/48/99/15/454489915.db2.gz IBCPJDBLTFUWFF-QGZVFWFLSA-N 1 0 333.524 3.480 50 0 EGAARO CCn1ccnc1[C@H]1CCC[N@H+](CCC(=O)NC2CCCCCC2)C1 ZINC000092022524 454505517 /nfs/dbraw/zinc/50/55/17/454505517.db2.gz SITFRXFZFWXIBF-KRWDZBQOSA-N 1 0 346.519 3.312 50 0 EGAARO CCCc1nc(C(=O)N[C@H](C)C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000092081671 454518571 /nfs/dbraw/zinc/51/85/71/454518571.db2.gz GBAREUWYHLTBIJ-CQSZACIVSA-N 1 0 343.496 3.272 50 0 EGAARO COc1cccc(C(=O)NCC2=CC[N@@H+]([C@H]3C=CCCC3)CC2)c1 ZINC000065410719 454563197 /nfs/dbraw/zinc/56/31/97/454563197.db2.gz MIILZKKBXJDJQP-SFHVURJKSA-N 1 0 326.440 3.166 50 0 EGAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)Cc1cnccn1 ZINC000065434375 454567553 /nfs/dbraw/zinc/56/75/53/454567553.db2.gz AZLPZLJQVLNDDX-HNNXBMFYSA-N 1 0 326.444 3.068 50 0 EGAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1C[C@H]1NC(=O)c2ccccc21 ZINC000065453210 454569612 /nfs/dbraw/zinc/56/96/12/454569612.db2.gz SGVVROAGDKAHLB-MRXNPFEDSA-N 1 0 347.422 3.121 50 0 EGAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2-n2cccn2)cc1 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COc1ccc(F)c(F)c1C(=O)N(C)Cc1ccccc1C[NH+](C)C ZINC000218827875 241348373 /nfs/dbraw/zinc/34/83/73/241348373.db2.gz NVUHACVDEAWHCU-UHFFFAOYSA-N 1 0 348.393 3.307 50 0 EGAARO C[NH2+]C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000002518296 201534244 /nfs/dbraw/zinc/53/42/44/201534244.db2.gz LDMXQNXCFMLIER-UHFFFAOYSA-N 1 0 338.430 3.412 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000243893819 243029054 /nfs/dbraw/zinc/02/90/54/243029054.db2.gz AUOFIINTDPBJFJ-ZDUSSCGKSA-N 1 0 332.879 3.285 50 0 EGAARO CCCO[C@H]1CCC[N@H+](CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000244748585 243075959 /nfs/dbraw/zinc/07/59/59/243075959.db2.gz OKFPHJRZUOJUHJ-KRWDZBQOSA-N 1 0 338.879 3.237 50 0 EGAARO Cc1cccnc1C[C@H](C)NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000244778720 243078497 /nfs/dbraw/zinc/07/84/97/243078497.db2.gz PVFLKHRMQCAVPI-HNNXBMFYSA-N 1 0 331.504 3.384 50 0 EGAARO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccccc2OC(F)(F)C(F)F)C1 ZINC000244787948 243081739 /nfs/dbraw/zinc/08/17/39/243081739.db2.gz 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ZINC000071750038 203107095 /nfs/dbraw/zinc/10/70/95/203107095.db2.gz ZSHZRPRJAUWARM-CQSZACIVSA-N 1 0 325.460 3.299 50 0 EGAARO Cn1c2ccccc2cc(C[N@H+](C)Cc2ccc(Cl)nc2)c1=O ZINC000071763694 203110649 /nfs/dbraw/zinc/11/06/49/203110649.db2.gz AQNDYPMFBDAQPZ-UHFFFAOYSA-N 1 0 327.815 3.219 50 0 EGAARO Cc1nc[nH]c1C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072121961 203163979 /nfs/dbraw/zinc/16/39/79/203163979.db2.gz SBONJSMDWBAZCC-UHFFFAOYSA-N 1 0 339.361 3.221 50 0 EGAARO c1c[nH]c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000072121017 203164160 /nfs/dbraw/zinc/16/41/60/203164160.db2.gz LFJGUGPXZZAKFV-UHFFFAOYSA-N 1 0 332.451 3.317 50 0 EGAARO COCc1ncc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cn1 ZINC000072146233 203169316 /nfs/dbraw/zinc/16/93/16/203169316.db2.gz QRSUCDMWGBESHE-UHFFFAOYSA-N 1 0 329.419 3.217 50 0 EGAARO CC[N@@H+]1CCC[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000072149697 203171748 /nfs/dbraw/zinc/17/17/48/203171748.db2.gz ORXMEANPXGQKLC-GOSISDBHSA-N 1 0 335.923 3.190 50 0 EGAARO Cc1cccnc1[C@H](C)Nc1nc(-c2cccnc2)nc2c1C[NH2+]C2 ZINC000072152506 203172642 /nfs/dbraw/zinc/17/26/42/203172642.db2.gz ALEJOGGIGJTVJW-ZDUSSCGKSA-N 1 0 332.411 3.018 50 0 EGAARO CCCNc1ncc(C[NH+]2CCC(OCc3ccccc3)CC2)cn1 ZINC000072154571 203174461 /nfs/dbraw/zinc/17/44/61/203174461.db2.gz RGGJILNNPSHBNW-UHFFFAOYSA-N 1 0 340.471 3.480 50 0 EGAARO COc1ccccc1[C@H]1C[N@H+](Cc2ccco2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072172575 203182984 /nfs/dbraw/zinc/18/29/84/203182984.db2.gz SQCOBLHKOOLGCJ-HMXCVIKNSA-N 1 0 338.451 3.350 50 0 EGAARO CSc1ccc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)cc1 ZINC000020167279 212108205 /nfs/dbraw/zinc/10/82/05/212108205.db2.gz YDLYTOPGZWEAPC-GOSISDBHSA-N 1 0 334.529 3.077 50 0 EGAARO CCc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)n2nccc2n1 ZINC000072475038 203230375 /nfs/dbraw/zinc/23/03/75/203230375.db2.gz FADOSDUNMLMQOE-MRXNPFEDSA-N 1 0 327.407 3.146 50 0 EGAARO CN(C)C(=O)c1ccc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)nc1 ZINC000072475481 203230759 /nfs/dbraw/zinc/23/07/59/203230759.db2.gz FMOAMNGSEDWELT-GOSISDBHSA-N 1 0 344.503 3.240 50 0 EGAARO Cc1cc(C[N@@H+]2CCCC23CCN(c2cccc(C)n2)CC3)on1 ZINC000072480739 203233471 /nfs/dbraw/zinc/23/34/71/203233471.db2.gz OLJVDZVVKRJOFC-UHFFFAOYSA-N 1 0 326.444 3.321 50 0 EGAARO CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cccc(C)c1)CC2 ZINC000072429795 203223197 /nfs/dbraw/zinc/22/31/97/203223197.db2.gz SEHGMMCBILQDTQ-GOSISDBHSA-N 1 0 330.472 3.146 50 0 EGAARO O=C(c1cocn1)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072430312 203223242 /nfs/dbraw/zinc/22/32/42/203223242.db2.gz PJXTUDPPFWGIKO-FQEVSTJZSA-N 1 0 339.439 3.193 50 0 EGAARO CC[C@H](C)[NH+]1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000019889699 212079383 /nfs/dbraw/zinc/07/93/83/212079383.db2.gz FTQIGRAYHZTTOY-ZDUSSCGKSA-N 1 0 341.293 3.374 50 0 EGAARO Cc1cc(N2CCN(c3noc(-c4ccccc4)n3)CC2)cc(C)[nH+]1 ZINC000077355867 203382684 /nfs/dbraw/zinc/38/26/84/203382684.db2.gz WBNLNFVQIDQBLY-UHFFFAOYSA-N 1 0 335.411 3.075 50 0 EGAARO CCc1nc2c(ncnc2N2CCC[N@@H+](C3CCCCC3)CC2)o1 ZINC000077505314 203392245 /nfs/dbraw/zinc/39/22/45/203392245.db2.gz IPVCVEHXDPVUQO-UHFFFAOYSA-N 1 0 329.448 3.025 50 0 EGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077540941 203394506 /nfs/dbraw/zinc/39/45/06/203394506.db2.gz MLELYZQUPDICFW-HXUWFJFHSA-N 1 0 346.446 3.201 50 0 EGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc3ncccc3c1)CC2 ZINC000091412154 203634345 /nfs/dbraw/zinc/63/43/45/203634345.db2.gz CBNFTJGCXOGQIT-UHFFFAOYSA-N 1 0 337.467 3.459 50 0 EGAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000005050213 205749476 /nfs/dbraw/zinc/74/94/76/205749476.db2.gz NHKICXPEOLJWIN-UHFFFAOYSA-N 1 0 339.439 3.011 50 0 EGAARO Cc1ccccc1-n1cc(CN(C)C(=O)[C@H]2CCCCC[N@@H+]2C)cn1 ZINC000091452423 218008764 /nfs/dbraw/zinc/00/87/64/218008764.db2.gz UFEFLETUCLQNQA-LJQANCHMSA-N 1 0 340.471 3.014 50 0 EGAARO CSCC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)n1cccc1 ZINC000524733573 257842811 /nfs/dbraw/zinc/84/28/11/257842811.db2.gz WIWPJBYTTGNXGZ-OAHLLOKOSA-N 1 0 337.533 3.208 50 0 EGAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1cccn1C1CC1 ZINC000299775995 258086418 /nfs/dbraw/zinc/08/64/18/258086418.db2.gz MOUBCIQLJFBDQR-UHFFFAOYSA-N 1 0 337.467 3.432 50 0 EGAARO CCCC(=O)Nc1cccc(NC(=O)NCC23CCC[NH+]2CCC3)c1 ZINC000299786260 258093168 /nfs/dbraw/zinc/09/31/68/258093168.db2.gz WKZNTBDUZNEOKT-UHFFFAOYSA-N 1 0 344.459 3.175 50 0 EGAARO Cc1cc(O)ccc1C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299801408 258104405 /nfs/dbraw/zinc/10/44/05/258104405.db2.gz YHXOIMDQZDEROR-SFHVURJKSA-N 1 0 338.451 3.343 50 0 EGAARO Cc1ncn(C)c1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000299801776 258105027 /nfs/dbraw/zinc/10/50/27/258105027.db2.gz ZATXLULRXIAPMR-SFHVURJKSA-N 1 0 340.471 3.158 50 0 EGAARO COCC[NH2+][C@H]1CCOc2ccc(-c3cccc(NC(C)=O)c3)cc21 ZINC000299803876 258105893 /nfs/dbraw/zinc/10/58/93/258105893.db2.gz IXQBBLDVEUFBQY-IBGZPJMESA-N 1 0 340.423 3.372 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cccnc2)c(OC)c1 ZINC000013593163 258056054 /nfs/dbraw/zinc/05/60/54/258056054.db2.gz 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ZINC000244724210 455276017 /nfs/dbraw/zinc/27/60/17/455276017.db2.gz MPZKQSYBBCSTBP-KRWDZBQOSA-N 1 0 330.472 3.147 50 0 EGAARO Fc1ccc([C@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000007525 452490882 /nfs/dbraw/zinc/49/08/82/452490882.db2.gz AHOUBRCZNHFOSL-RHSMWYFYSA-N 1 0 329.371 3.327 50 0 investigational EGAARO Cc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000000119776 452511804 /nfs/dbraw/zinc/51/18/04/452511804.db2.gz IORQHKRTMBGJJY-UHFFFAOYSA-N 1 0 341.430 3.285 50 0 EGAARO OC1(c2ccc(Br)cc2)CC[NH+]([C@H]2CCSC2)CC1 ZINC000000219990 452541179 /nfs/dbraw/zinc/54/11/79/452541179.db2.gz FMVKBHPBFSVUJR-AWEZNQCLSA-N 1 0 342.302 3.238 50 0 EGAARO COc1ccccc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000000317602 452564260 /nfs/dbraw/zinc/56/42/60/452564260.db2.gz OYSCDBSWRZINFQ-MRXNPFEDSA-N 1 0 330.472 3.166 50 0 EGAARO CCCc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000000472479 452602916 /nfs/dbraw/zinc/60/29/16/452602916.db2.gz AWEXCMREMRVOFW-HXUWFJFHSA-N 1 0 325.452 3.437 50 0 EGAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1Br ZINC000004018231 452791300 /nfs/dbraw/zinc/79/13/00/452791300.db2.gz BPHYNPKPWOFXDN-MJBXVCDLSA-N 1 0 342.277 3.452 50 0 EGAARO COc1ccc(CC[N@H+](C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000004948287 452828059 /nfs/dbraw/zinc/82/80/59/452828059.db2.gz NWECRWDWFXJDNE-UHFFFAOYSA-N 1 0 345.439 3.396 50 0 EGAARO CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000006962819 453011960 /nfs/dbraw/zinc/01/19/60/453011960.db2.gz IOJFYXPQYMJZPX-UHFFFAOYSA-N 1 0 332.831 3.258 50 0 EGAARO Cc1cccc(O[C@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)c1C ZINC000008673937 453222109 /nfs/dbraw/zinc/22/21/09/453222109.db2.gz YWNCFTQFYSEPDT-QGZVFWFLSA-N 1 0 332.488 3.451 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)cc1 ZINC000011813229 453335766 /nfs/dbraw/zinc/33/57/66/453335766.db2.gz AOQUATNEAKYVDK-NRFANRHFSA-N 1 0 342.483 3.310 50 0 EGAARO CSCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012478943 453364089 /nfs/dbraw/zinc/36/40/89/453364089.db2.gz DZKAPZSOTQIKMB-GOSISDBHSA-N 1 0 334.529 3.329 50 0 EGAARO CC(=O)N1CCC([NH2+]Cc2cccnc2Oc2ccccc2C)CC1 ZINC000012448058 453364857 /nfs/dbraw/zinc/36/48/57/453364857.db2.gz CQSFXQLDZKEZBL-UHFFFAOYSA-N 1 0 339.439 3.283 50 0 EGAARO CSc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012706486 453392657 /nfs/dbraw/zinc/39/26/57/453392657.db2.gz BOIGDELDGHKTRB-KRWDZBQOSA-N 1 0 344.455 3.438 50 0 EGAARO COc1ccc(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000013616247 453474453 /nfs/dbraw/zinc/47/44/53/453474453.db2.gz OHQOIAWNUQJZGV-UHFFFAOYSA-N 1 0 330.472 3.105 50 0 EGAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(OC)c(OC)c1 ZINC000013647220 453478716 /nfs/dbraw/zinc/47/87/16/453478716.db2.gz AQGDSJZTCKDRKD-INIZCTEOSA-N 1 0 334.460 3.088 50 0 EGAARO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000014252384 453526931 /nfs/dbraw/zinc/52/69/31/453526931.db2.gz FZUUNOOXRCOWDA-UHFFFAOYSA-N 1 0 338.517 3.137 50 0 EGAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCC(C)C ZINC000014749823 453543703 /nfs/dbraw/zinc/54/37/03/453543703.db2.gz YFJYNHARFMYCGB-MRXNPFEDSA-N 1 0 337.508 3.338 50 0 EGAARO COc1ccc(CC2(CO)CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000014975492 453549427 /nfs/dbraw/zinc/54/94/27/453549427.db2.gz QFDIKVATDCZCQQ-UHFFFAOYSA-N 1 0 341.451 3.218 50 0 EGAARO O=C1CC[C@@H]([NH+]2CCSCC2)CCN1Cc1cccc(Cl)c1 ZINC000015000146 453550526 /nfs/dbraw/zinc/55/05/26/453550526.db2.gz NLYAKFZDCRPZOX-MRXNPFEDSA-N 1 0 338.904 3.270 50 0 EGAARO CCCN1CCN(Cc2ccc(C[NH+]3CCCCC3)s2)CCC1=O ZINC000014995574 453550738 /nfs/dbraw/zinc/55/07/38/453550738.db2.gz VMZOKEHKXQWPOG-UHFFFAOYSA-N 1 0 349.544 3.178 50 0 EGAARO COc1cccc2c1OC[C@H]([NH2+]Cc1c(C)nn(C(C)C)c1C)C2 ZINC000015069878 453555000 /nfs/dbraw/zinc/55/50/00/453555000.db2.gz RGHYNUISMUSWHG-MRXNPFEDSA-N 1 0 329.444 3.183 50 0 EGAARO O=C(NCCC[N@@H+]1CC[C@H](c2ccccc2)C1)NC1CCCCC1 ZINC000015108694 453556973 /nfs/dbraw/zinc/55/69/73/453556973.db2.gz BQVAIJCLLGCBBN-SFHVURJKSA-N 1 0 329.488 3.498 50 0 EGAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1cccs1 ZINC000015859726 453587121 /nfs/dbraw/zinc/58/71/21/453587121.db2.gz CKFCDRHOJPOAFC-GFCCVEGCSA-N 1 0 347.465 3.497 50 0 EGAARO Cc1ccccc1OCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015860023 453587204 /nfs/dbraw/zinc/58/72/04/453587204.db2.gz DGCMCWYPFMXHLA-KRWDZBQOSA-N 1 0 342.439 3.310 50 0 EGAARO CCCOC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082106451 453923696 /nfs/dbraw/zinc/92/36/96/453923696.db2.gz LJDDXIRYFDWVPU-UHFFFAOYSA-N 1 0 334.464 3.058 50 0 EGAARO COCCN1C[C@@]2(CCC[N@H+](Cc3ccc(C)cc3C)C2)CCC1=O ZINC000082108034 453924599 /nfs/dbraw/zinc/92/45/99/453924599.db2.gz CXNPUQOSTLIOSB-NRFANRHFSA-N 1 0 344.499 3.154 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)CCc2cccc(F)c2)CC1 ZINC000082155863 453927206 /nfs/dbraw/zinc/92/72/06/453927206.db2.gz QXEWVYOCNDYFFY-UHFFFAOYSA-N 1 0 341.430 3.201 50 0 EGAARO Cc1ccc(CN2CC[N@H+](Cc3cc(C)ccc3C)C[C@H]2CCO)o1 ZINC000039362594 453943322 /nfs/dbraw/zinc/94/33/22/453943322.db2.gz 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Cc1nc2cc3c(cc2n1CC(=O)Nc1ccc(C)cc1)OCCO3 ZINC000064794991 454505741 /nfs/dbraw/zinc/50/57/41/454505741.db2.gz NHMGFQKZSLILGH-UHFFFAOYSA-N 1 0 337.379 3.063 50 0 EGAARO c1ccc(CCC[N@@H+]2CCCN(c3nnc(C4CC4)o3)CC2)cc1 ZINC000092065523 454513334 /nfs/dbraw/zinc/51/33/34/454513334.db2.gz UZZNXTBXMIVGTE-UHFFFAOYSA-N 1 0 326.444 3.092 50 0 EGAARO CCCn1ncc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000092107597 454524771 /nfs/dbraw/zinc/52/47/71/454524771.db2.gz LBPVVCUGHZIHEX-UHFFFAOYSA-N 1 0 340.471 3.127 50 0 EGAARO OCc1ccc(C[N@@H+]2CC[C@H](c3ccnc(-c4cccnc4)c3)C2)o1 ZINC000065403806 454560093 /nfs/dbraw/zinc/56/00/93/454560093.db2.gz BVGINXMKLLVAFX-KRWDZBQOSA-N 1 0 335.407 3.218 50 0 EGAARO CC(C)n1cnnc1[C@@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065458724 454570946 /nfs/dbraw/zinc/57/09/46/454570946.db2.gz IGLZXQRXWVZPSA-MRXNPFEDSA-N 1 0 327.476 3.174 50 0 EGAARO O=C(C[NH2+][C@H](c1cccs1)C1CCCCC1)Nc1cnccn1 ZINC000065509289 454580649 /nfs/dbraw/zinc/58/06/49/454580649.db2.gz 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Cc1nc([C@@H]2CCOC2)cc(N2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000426490758 457842745 /nfs/dbraw/zinc/84/27/45/457842745.db2.gz UEUGVBXDWBLNHH-QGZVFWFLSA-N 1 0 344.503 3.134 50 0 EGAARO CN(Cc1ccco1)C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426498534 457844597 /nfs/dbraw/zinc/84/45/97/457844597.db2.gz KSJBTPXBJINDMM-UHFFFAOYSA-N 1 0 341.455 3.301 50 0 EGAARO C[NH2+]Cc1nnc(SCc2cc(C(F)(F)F)ccc2C)n1C ZINC000426677498 457877118 /nfs/dbraw/zinc/87/71/18/457877118.db2.gz OCCBCUKGVLTROP-UHFFFAOYSA-N 1 0 330.379 3.154 50 0 EGAARO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000416880326 458357578 /nfs/dbraw/zinc/35/75/78/458357578.db2.gz ZUDVYXAVRQKAPE-OXJNMPFZSA-N 1 0 337.467 3.116 50 0 EGAARO C[C@H](NC(=O)N1CCC(CC[NH+]2CCCC2)CC1)c1ccc(O)cc1 ZINC000534640927 459340575 /nfs/dbraw/zinc/34/05/75/459340575.db2.gz SYLOXJYGGHWCFZ-INIZCTEOSA-N 1 0 345.487 3.361 50 0 EGAARO O=C(Nc1c(F)cccc1F)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150067 459830435 /nfs/dbraw/zinc/83/04/35/459830435.db2.gz 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CSCC[C@H]([NH3+])C(=O)Nc1cc(NC(=O)C2CCCC2)ccc1C ZINC000952972065 1334627402 /nfs/dbraw/zinc/62/74/02/1334627402.db2.gz WHFMLTKNSOBEQW-HNNXBMFYSA-N 1 0 349.500 3.143 50 0 EGAARO Cc1nc[nH]c1CN(CC[NH+](C)C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC001704304871 1416434774 /nfs/dbraw/zinc/43/47/74/1416434774.db2.gz IYWUCKMXSBFZCW-SFHVURJKSA-N 1 0 346.475 3.117 50 0 EGAARO CCCCc1nc(CN2CCC[C@]3(CCc4cnc(C)nc43)C2)c[nH]1 ZINC001704337169 1416448370 /nfs/dbraw/zinc/44/83/70/1416448370.db2.gz OAIZMQFHOGIBKM-FQEVSTJZSA-N 1 0 339.487 3.331 50 0 EGAARO O=C(CSCC[NH+]1CCCC1)N1CCCC[C@H]1c1nccs1 ZINC001704348420 1416451549 /nfs/dbraw/zinc/45/15/49/1416451549.db2.gz UYFLWEHJLCKASP-AWEZNQCLSA-N 1 0 339.530 3.026 50 0 EGAARO COc1cc(OC)c(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1Cl ZINC001704353064 1416453521 /nfs/dbraw/zinc/45/35/21/1416453521.db2.gz PJFGQJQZXGZAIW-ZDUSSCGKSA-N 1 0 338.879 3.416 50 0 EGAARO Cc1ncsc1CN1C[C@@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772712332 1441417226 /nfs/dbraw/zinc/41/72/26/1441417226.db2.gz 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/nfs/dbraw/zinc/22/64/88/202226488.db2.gz NLAKHPKZLPNELC-UHFFFAOYSA-N 1 0 325.441 3.163 50 0 EGAARO CN1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813014 202311098 /nfs/dbraw/zinc/31/10/98/202311098.db2.gz DYXAUOVESIOYIU-JOCHJYFZSA-N 1 0 335.495 3.175 50 0 EGAARO CC(C)[N@@H+]1CCN(Cc2nc(-c3ccccc3)cs2)C[C@H]1CCO ZINC000036385576 202324167 /nfs/dbraw/zinc/32/41/67/202324167.db2.gz BCPPBWBMSVWBCA-QGZVFWFLSA-N 1 0 345.512 3.087 50 0 EGAARO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000072280490 202360654 /nfs/dbraw/zinc/36/06/54/202360654.db2.gz HTUKOXMLIZSHIX-ZWKOTPCHSA-N 1 0 339.439 3.252 50 0 EGAARO C[NH+]1CCC(OCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000055061059 202678708 /nfs/dbraw/zinc/67/87/08/202678708.db2.gz WGQIBBDBIVQCSI-UHFFFAOYSA-N 1 0 348.531 3.210 50 0 EGAARO COc1cccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1OC ZINC000022678994 212316547 /nfs/dbraw/zinc/31/65/47/212316547.db2.gz YEDDUOFEJVBADG-AWEZNQCLSA-N 1 0 349.456 3.190 50 0 EGAARO CCOc1cc2c(cc1C[N@H+](C)[C@H](C)Cc1cnccn1)CCC2 ZINC000215039613 241102716 /nfs/dbraw/zinc/10/27/16/241102716.db2.gz WHXXBNFHKHRBJF-OAHLLOKOSA-N 1 0 325.456 3.427 50 0 EGAARO COCC[N@H+](Cc1ccncc1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000216262839 241177293 /nfs/dbraw/zinc/17/72/93/241177293.db2.gz RHTCBRCNAPQNQW-UHFFFAOYSA-N 1 0 326.440 3.444 50 0 EGAARO Cc1nc([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)no1 ZINC000215658985 241137441 /nfs/dbraw/zinc/13/74/41/241137441.db2.gz VQNXIVAGCZGGIG-AWEZNQCLSA-N 1 0 341.390 3.287 50 0 EGAARO COc1ccccc1[N+]1=C2CCCCCN2[C@@](O)(c2cccs2)C1 ZINC000002974507 201553154 /nfs/dbraw/zinc/55/31/54/201553154.db2.gz FRELFPFZIJEWQY-IBGZPJMESA-N 1 0 343.472 3.407 50 0 EGAARO [NH2+]=c1ccn(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 ZINC000005196362 201642776 /nfs/dbraw/zinc/64/27/76/201642776.db2.gz IZDZRFHTAOMVHG-UHFFFAOYSA-N 1 0 335.451 3.206 50 0 EGAARO [NH3+][C@H]1CCCN(C(=O)c2ccccc2OCCc2ccccc2)CC1 ZINC000243932067 243031882 /nfs/dbraw/zinc/03/18/82/243031882.db2.gz BSCOUNYTILROPD-SFHVURJKSA-N 1 0 338.451 3.262 50 0 EGAARO CN(Cc1noc(C2CCC2)n1)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000244673657 243055733 /nfs/dbraw/zinc/05/57/33/243055733.db2.gz HTIGIGUBWWWUDJ-GOSISDBHSA-N 1 0 340.471 3.434 50 0 EGAARO CCN(C)c1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)ncn1 ZINC000071768098 203112124 /nfs/dbraw/zinc/11/21/24/203112124.db2.gz DUXMEPSMXOLZDT-QGZVFWFLSA-N 1 0 340.471 3.380 50 0 EGAARO CCc1ccc(C[N@@H+]2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)nc1 ZINC000071662631 203102098 /nfs/dbraw/zinc/10/20/98/203102098.db2.gz CFFMGWXMQAJASE-LJQANCHMSA-N 1 0 329.488 3.113 50 0 EGAARO COc1ccc(-c2nc(C[N@H+](C)CC3(C)COC3)c(C)o2)c(F)c1 ZINC000071639419 203102477 /nfs/dbraw/zinc/10/24/77/203102477.db2.gz AECRHNNLTYIHRJ-UHFFFAOYSA-N 1 0 334.391 3.266 50 0 EGAARO Cc1cccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c1O ZINC000071747330 203106212 /nfs/dbraw/zinc/10/62/12/203106212.db2.gz YVEZRZBBLHZZRR-SFHVURJKSA-N 1 0 330.472 3.283 50 0 EGAARO CC(C)c1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)[nH]n1 ZINC000071765330 203110380 /nfs/dbraw/zinc/11/03/80/203110380.db2.gz TXSJTESMJSEKBN-SFHVURJKSA-N 1 0 332.492 3.116 50 0 EGAARO c1ccc(CO[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000072142993 203167621 /nfs/dbraw/zinc/16/76/21/203167621.db2.gz GITKBMAPRDSQAZ-GOSISDBHSA-N 1 0 340.423 3.034 50 0 EGAARO COc1coc(C[N@@H+]2CCCC[C@H]2CCc2cccc(O)c2)cc1=O ZINC000072154563 203174607 /nfs/dbraw/zinc/17/46/07/203174607.db2.gz HFDXYVNOCHBFCN-INIZCTEOSA-N 1 0 343.423 3.341 50 0 EGAARO C[NH+](C)[C@H]1CCCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 ZINC000072167495 203179912 /nfs/dbraw/zinc/17/99/12/203179912.db2.gz XOHBYYZSJKQQCA-AWEZNQCLSA-N 1 0 333.863 3.098 50 0 EGAARO CN1C[C@]2(CCC[N@H+](Cc3nc4ccccc4s3)CC2)OC1=O ZINC000072169546 203180633 /nfs/dbraw/zinc/18/06/33/203180633.db2.gz UTJWAXYMUVKZSI-QGZVFWFLSA-N 1 0 331.441 3.103 50 0 EGAARO CC(C)Nc1[nH]nc2nc([C@H]3CCC[NH2+]C3)cc(C(F)(F)F)c21 ZINC000072343463 203203611 /nfs/dbraw/zinc/20/36/11/203203611.db2.gz XKUBZZOCRNJHTK-VIFPVBQESA-N 1 0 327.354 3.264 50 0 EGAARO CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1ccc(C)cc1F)CC2 ZINC000072469382 203229951 /nfs/dbraw/zinc/22/99/51/203229951.db2.gz VCCKZDJODIXRJJ-GOSISDBHSA-N 1 0 348.462 3.285 50 0 EGAARO Cc1nc2ccccn2c1C[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000072481011 203232424 /nfs/dbraw/zinc/23/24/24/203232424.db2.gz BXESUAQSUIQVBS-OAQYLSRUSA-N 1 0 349.478 3.458 50 0 EGAARO Cc1cc(N2CCC[C@@H](CCc3ccc(F)cc3F)C2)nc(N)[nH+]1 ZINC000072408410 203215952 /nfs/dbraw/zinc/21/59/52/203215952.db2.gz UUKZPTFZWMVSSE-ZDUSSCGKSA-N 1 0 332.398 3.495 50 0 EGAARO COc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC000019832222 212073164 /nfs/dbraw/zinc/07/31/64/212073164.db2.gz DAHPFVIQICQALY-SJLPKXTDSA-N 1 0 332.488 3.400 50 0 EGAARO O[C@@]1(C[NH+]2CCCCC2)CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000077286522 203376531 /nfs/dbraw/zinc/37/65/31/203376531.db2.gz PWPYYUYLQLAJSE-LJQANCHMSA-N 1 0 345.874 3.315 50 0 EGAARO O=C(c1ccc(OC(F)F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077408123 203386944 /nfs/dbraw/zinc/38/69/44/203386944.db2.gz QGXSQUNDTUJZOV-UHFFFAOYSA-N 1 0 338.398 3.379 50 0 EGAARO CCCCN1C[C@]2(CCC[N@H+](Cc3c(C)noc3C)C2)CCC1=O ZINC000077419465 203387030 /nfs/dbraw/zinc/38/70/30/203387030.db2.gz PLBKAQUAJNOABM-LJQANCHMSA-N 1 0 333.476 3.296 50 0 EGAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000077454680 203389497 /nfs/dbraw/zinc/38/94/97/203389497.db2.gz SKTNCTRNRNTPOB-KRWDZBQOSA-N 1 0 342.405 3.128 50 0 EGAARO C[NH+](C)[C@H]1CCN(Cc2ccc(Cl)cc2F)C[C@H]1CCCO ZINC000091782308 203652226 /nfs/dbraw/zinc/65/22/26/203652226.db2.gz HWNFYXXPEKHDBF-PBHICJAKSA-N 1 0 328.859 3.004 50 0 EGAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000095918202 203768555 /nfs/dbraw/zinc/76/85/55/203768555.db2.gz FJHNZXIUWHIGHW-QGZVFWFLSA-N 1 0 327.424 3.045 50 0 EGAARO O=C(/C=C/c1ccco1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971528 204292595 /nfs/dbraw/zinc/29/25/95/204292595.db2.gz BLDLKIJLQBGRNX-ONEGZZNKSA-N 1 0 330.453 3.383 50 0 EGAARO 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CCc1cnc(N)nc1NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000095382782 454199818 /nfs/dbraw/zinc/19/98/18/454199818.db2.gz UHDGZBCJDJAXSU-QGZVFWFLSA-N 1 0 325.460 3.260 50 0 EGAARO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCCC2(CCOCC2)C1 ZINC000095380460 454199889 /nfs/dbraw/zinc/19/98/89/454199889.db2.gz YBHJUYWYTMIYAH-IBGZPJMESA-N 1 0 342.483 3.186 50 0 EGAARO Cc1cc([C@@H]2CCCN2C(=O)C2CC[NH+](Cc3ccco3)CC2)no1 ZINC000095387781 454200570 /nfs/dbraw/zinc/20/05/70/454200570.db2.gz BOURBDMKOAWMTK-SFHVURJKSA-N 1 0 343.427 3.152 50 0 EGAARO CC(C)[NH+]1CCC(CC(=O)N[C@H](c2cccnc2)C(F)(F)F)CC1 ZINC000095380596 454200796 /nfs/dbraw/zinc/20/07/96/454200796.db2.gz AYYSRPAPURXLOC-MRXNPFEDSA-N 1 0 343.393 3.312 50 0 EGAARO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000095502135 454222050 /nfs/dbraw/zinc/22/20/50/454222050.db2.gz BJTNOGJADLXSPO-QGZVFWFLSA-N 1 0 349.438 3.193 50 0 EGAARO CCOCc1nc(CCCc2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000095522891 454227439 /nfs/dbraw/zinc/22/74/39/454227439.db2.gz 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Cc1c2cc(C)ccc2oc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 ZINC000072173986 203182675 /nfs/dbraw/zinc/18/26/75/203182675.db2.gz FKCBJZKLLNNKTO-QUCCMNQESA-N 1 0 342.439 3.078 50 0 EGAARO Cc1[nH]c2c(cccc2C[N@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)c1C ZINC000072458408 203227677 /nfs/dbraw/zinc/22/76/77/203227677.db2.gz IHQLRBCPIIEWHP-IBGZPJMESA-N 1 0 327.428 3.201 50 0 EGAARO CN1C[C@@]2(CC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)OC1=O ZINC000072470191 203228899 /nfs/dbraw/zinc/22/88/99/203228899.db2.gz SOJAHYKQLNHTDL-OAQYLSRUSA-N 1 0 334.419 3.284 50 0 EGAARO COc1ccc(F)c(F)c1CN1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000072463698 203229760 /nfs/dbraw/zinc/22/97/60/203229760.db2.gz PIDZWKAZLGGTJD-UHFFFAOYSA-N 1 0 347.409 3.307 50 0 EGAARO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)c1C ZINC000072408395 203215968 /nfs/dbraw/zinc/21/59/68/203215968.db2.gz JBLQMEMOPRMMJE-HXUWFJFHSA-N 1 0 344.455 3.231 50 0 EGAARO O=C1CC[C@H]2CN(c3cc[nH+]cc3)CC[C@H]2N1CCc1cccs1 ZINC000072419773 203219118 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COc1cccc(-c2ccccc2NC(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000299772811 258084586 /nfs/dbraw/zinc/08/45/86/258084586.db2.gz BBLYJTWMRCBWOZ-HNNXBMFYSA-N 1 0 325.412 3.317 50 0 EGAARO CCC[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)n1cccc1 ZINC000299777775 258087858 /nfs/dbraw/zinc/08/78/58/258087858.db2.gz PCTFYLDESGADEZ-LJQANCHMSA-N 1 0 340.471 3.005 50 0 EGAARO Cc1ccc(OCC[NH3+])c(C(=O)NC2(Cc3ccccc3C)CC2)c1 ZINC000299794845 258099561 /nfs/dbraw/zinc/09/95/61/258099561.db2.gz KUVNGZGRNVNJHW-UHFFFAOYSA-N 1 0 338.451 3.146 50 0 EGAARO Cc1cnccc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000299794820 258099671 /nfs/dbraw/zinc/09/96/71/258099671.db2.gz JZXLRCYLDIFNJG-GOSISDBHSA-N 1 0 327.403 3.096 50 0 EGAARO C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000020537996 135721489 /nfs/dbraw/zinc/72/14/89/135721489.db2.gz MRVQMMNASOYMIX-INIZCTEOSA-N 1 0 349.906 3.111 50 0 EGAARO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cccnc1 ZINC000009009997 273687774 /nfs/dbraw/zinc/68/77/74/273687774.db2.gz 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ZINC000015414288 280589975 /nfs/dbraw/zinc/58/99/75/280589975.db2.gz QVWPQVWIXUZNHA-UHFFFAOYSA-N 1 0 337.471 3.396 50 0 EGAARO O=C(CCc1cccc(O)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000216393145 303591300 /nfs/dbraw/zinc/59/13/00/303591300.db2.gz ZLNXVSCQLDVZJC-GOSISDBHSA-N 1 0 330.472 3.192 50 0 EGAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000000212341 452537185 /nfs/dbraw/zinc/53/71/85/452537185.db2.gz WZNXWRUGVYPQAF-GOSISDBHSA-N 1 0 330.472 3.310 50 0 EGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000000566801 452624369 /nfs/dbraw/zinc/62/43/69/452624369.db2.gz JJVHAASMEZCYNE-UHFFFAOYSA-N 1 0 329.831 3.344 50 0 EGAARO Cn1c2ccc(F)cc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000002436011 452698441 /nfs/dbraw/zinc/69/84/41/452698441.db2.gz PJAMRTSMBXZGCY-UHFFFAOYSA-N 1 0 345.447 3.234 50 0 aggregator EGAARO CCOC(=O)c1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2CC(F)(F)F ZINC000002472910 452700680 /nfs/dbraw/zinc/70/06/80/452700680.db2.gz WEHWZLFXMFRHBE-ZFWWWQNUSA-N 1 0 342.361 3.033 50 0 EGAARO CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000004452428 452803687 /nfs/dbraw/zinc/80/36/87/452803687.db2.gz BYIGBTSEDRHFEO-AZUAARDMSA-N 1 0 345.389 3.377 50 0 EGAARO O=S(=O)(c1ccc2ccccc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000004745368 452816937 /nfs/dbraw/zinc/81/69/37/452816937.db2.gz QBIHYCHFXLVILP-UHFFFAOYSA-N 1 0 344.480 3.089 50 0 EGAARO COc1ccc(OC)c(CN2CCC([N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000004745652 452817175 /nfs/dbraw/zinc/81/71/75/452817175.db2.gz FJQPONIXXJOYOL-INIZCTEOSA-N 1 0 332.488 3.400 50 0 EGAARO C[NH+](C)C[C@H](O)Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000005208962 452847040 /nfs/dbraw/zinc/84/70/40/452847040.db2.gz XJWDBQJKGYLMTA-HNNXBMFYSA-N 1 0 329.831 3.279 50 0 EGAARO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000006350666 452937468 /nfs/dbraw/zinc/93/74/68/452937468.db2.gz NQHFYPMSHPFFMP-UHFFFAOYSA-N 1 0 338.879 3.095 50 0 EGAARO CCc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000006432215 452942641 /nfs/dbraw/zinc/94/26/41/452942641.db2.gz JVNLAQUJTFVCPW-GOSISDBHSA-N 1 0 342.439 3.174 50 0 EGAARO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000006702364 452972434 /nfs/dbraw/zinc/97/24/34/452972434.db2.gz MTWBLMTWDALRNL-QGZVFWFLSA-N 1 0 333.403 3.274 50 0 EGAARO Clc1ccccc1-c1ccc(C[NH2+]CCCN2CCOCC2)o1 ZINC000006747050 452981851 /nfs/dbraw/zinc/98/18/51/452981851.db2.gz PEQRIGIDMIKEPB-UHFFFAOYSA-N 1 0 334.847 3.412 50 0 EGAARO Cc1nn(CC(C)C)c(Cl)c1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000008880128 453235342 /nfs/dbraw/zinc/23/53/42/453235342.db2.gz OZYQLFLXUSYLCY-AWEZNQCLSA-N 1 0 349.862 3.431 50 0 EGAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000010329544 453285818 /nfs/dbraw/zinc/28/58/18/453285818.db2.gz DDPKSRFTTNUJFJ-KRWDZBQOSA-N 1 0 334.822 3.441 50 0 EGAARO CC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010324955 453286413 /nfs/dbraw/zinc/28/64/13/453286413.db2.gz XHSOSIKMSNSMOS-UHFFFAOYSA-N 1 0 337.423 3.493 50 0 EGAARO CCOc1c(C[NH2+]C[C@@H]2CCCO2)cc(Br)cc1OC ZINC000010474439 453293460 /nfs/dbraw/zinc/29/34/60/453293460.db2.gz ZVCXINNSQOBKSS-ZDUSSCGKSA-N 1 0 344.249 3.125 50 0 EGAARO CC[NH+](CC)CCSc1ccc(NC(=O)c2cccc(F)c2)nn1 ZINC000011738005 453333755 /nfs/dbraw/zinc/33/37/55/453333755.db2.gz OQEJTURPAFBNHQ-UHFFFAOYSA-N 1 0 348.447 3.302 50 0 EGAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)c(C)n1 ZINC000011951929 453339478 /nfs/dbraw/zinc/33/94/78/453339478.db2.gz HOXQPKMFMSGWKJ-QGZVFWFLSA-N 1 0 341.455 3.315 50 0 EGAARO COc1cc(C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)ccc1F ZINC000012050627 453342132 /nfs/dbraw/zinc/34/21/32/453342132.db2.gz KAJHNWOABZLGTM-UHFFFAOYSA-N 1 0 348.462 3.449 50 0 EGAARO C[C@H]1C[N@H+](CCC(=O)NCCc2cccs2)Cc2ccccc2O1 ZINC000012159270 453346571 /nfs/dbraw/zinc/34/65/71/453346571.db2.gz LQPWPKOFXXCDSO-HNNXBMFYSA-N 1 0 344.480 3.080 50 0 EGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]C(C)(C)C)C2=O)cc1 ZINC000012433246 453361064 /nfs/dbraw/zinc/36/10/64/453361064.db2.gz GYBBSPMYRLMFGJ-HXUWFJFHSA-N 1 0 332.488 3.052 50 0 EGAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[n+]1cn(C)c2ccccc21 ZINC000012560793 453377234 /nfs/dbraw/zinc/37/72/34/453377234.db2.gz XRELHRCAOMWUDP-GJYPPUQNSA-N 1 0 329.464 3.470 50 0 EGAARO COc1cccc2c1OC[C@H]([NH2+]CCc1cnn(-c3ccccc3)c1)C2 ZINC000015077139 453554248 /nfs/dbraw/zinc/55/42/48/453554248.db2.gz QNAWGKHACMUHCH-GOSISDBHSA-N 1 0 349.434 3.017 50 0 EGAARO Cc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860020 453587101 /nfs/dbraw/zinc/58/71/01/453587101.db2.gz HDYUWGCDPVVBDK-GOSISDBHSA-N 1 0 342.439 3.310 50 0 EGAARO O=C(COc1ccc(F)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015860017 453587390 /nfs/dbraw/zinc/58/73/90/453587390.db2.gz QDKUHGMERKEGTP-QGZVFWFLSA-N 1 0 346.402 3.141 50 0 EGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1cccs1 ZINC000015859725 453587900 /nfs/dbraw/zinc/58/79/00/453587900.db2.gz CKFCDRHOJPOAFC-LBPRGKRZSA-N 1 0 347.465 3.497 50 0 EGAARO Cc1cc(N2CCCN(C(=O)CCc3ccsc3)CC2)cc[nH+]1 ZINC000082083143 453922171 /nfs/dbraw/zinc/92/21/71/453922171.db2.gz ZTKRZJSGXHBRHO-UHFFFAOYSA-N 1 0 329.469 3.123 50 0 EGAARO CCc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000067334692 453922566 /nfs/dbraw/zinc/92/25/66/453922566.db2.gz SNPOFWGOVJLEGW-NRFANRHFSA-N 1 0 340.467 3.113 50 0 EGAARO CCC[C@@H]1CN(C(=O)c2ccc(N(CC)CC)cc2)C[C@H]1[NH+](C)C ZINC000082145682 453926508 /nfs/dbraw/zinc/92/65/08/453926508.db2.gz SDNXKDPQGNIEAB-IEBWSBKVSA-N 1 0 331.504 3.335 50 0 EGAARO C=Cc1ccc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)cc1 ZINC000082148216 453927173 /nfs/dbraw/zinc/92/71/73/453927173.db2.gz IUBIGMNYZSYXJR-UHFFFAOYSA-N 1 0 333.435 3.411 50 0 EGAARO CC(C)NC(=O)c1ccccc1-c1cc2c(c(Cl)c1)O[C@H](C[NH3+])C2 ZINC000067458503 453932952 /nfs/dbraw/zinc/93/29/52/453932952.db2.gz YPMRQKDFYSYDDI-AWEZNQCLSA-N 1 0 344.842 3.407 50 0 EGAARO CCOc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)cc1 ZINC000039442683 453944054 /nfs/dbraw/zinc/94/40/54/453944054.db2.gz BQZALIBEMYYYLA-GOSISDBHSA-N 1 0 334.504 3.000 50 0 EGAARO Cc1ccc(C(=O)NCC[C@@H]2C[N@@H+](C3CCCC3)CCO2)c(C)c1 ZINC000067674110 453955228 /nfs/dbraw/zinc/95/52/28/453955228.db2.gz ZSNRTWWCFUBTRS-GOSISDBHSA-N 1 0 330.472 3.067 50 0 EGAARO Cc1ccc([C@@H]2c3[nH]cnc3CCN2CC(C)(C)C[NH+](C)C)cc1 ZINC000067673930 453955265 /nfs/dbraw/zinc/95/52/65/453955265.db2.gz SMTNSLAAEMRSAV-LJQANCHMSA-N 1 0 326.488 3.253 50 0 EGAARO CCCC[NH2+]C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067673216 453955325 /nfs/dbraw/zinc/95/53/25/453955325.db2.gz AAJJGYNPWPPEPL-HXUWFJFHSA-N 1 0 332.488 3.053 50 0 EGAARO Cc1nsc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000055060641 453960127 /nfs/dbraw/zinc/96/01/27/453960127.db2.gz ROAMRNLYARBDAU-UHFFFAOYSA-N 1 0 337.493 3.157 50 0 EGAARO CN(C)c1nc(Cl)c(-c2nccn2CC[C@H]2CCC[N@@H+]2C)s1 ZINC000067740227 453961394 /nfs/dbraw/zinc/96/13/94/453961394.db2.gz QONBFNJQULUXCG-LLVKDONJSA-N 1 0 339.896 3.210 50 0 EGAARO C[C@@H](CCO)[NH2+]Cc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067757900 453963548 /nfs/dbraw/zinc/96/35/48/453963548.db2.gz VEVMTTBFDUDJBV-ZDUSSCGKSA-N 1 0 340.402 3.138 50 0 EGAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2[nH]c3c(cccc3Cl)c2C)C1 ZINC000067789823 453966520 /nfs/dbraw/zinc/96/65/20/453966520.db2.gz LOUVXBCRSZLADY-CQSZACIVSA-N 1 0 333.863 3.478 50 0 EGAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000067802642 453968061 /nfs/dbraw/zinc/96/80/61/453968061.db2.gz MZARIHVKFYHWHG-UHFFFAOYSA-N 1 0 326.387 3.454 50 0 EGAARO CCCc1nc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)cs1 ZINC000055284684 453974025 /nfs/dbraw/zinc/97/40/25/453974025.db2.gz UDQVMXDVQYAPAK-CQSZACIVSA-N 1 0 347.484 3.217 50 0 EGAARO CCc1ccc(C[NH+]2CCC(CNC(=O)c3occc3C)CC2)nc1 ZINC000067879994 453976316 /nfs/dbraw/zinc/97/63/16/453976316.db2.gz KRARZMAQTVXBGL-UHFFFAOYSA-N 1 0 341.455 3.187 50 0 EGAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2cccc3cccnc32)n1 ZINC000067894120 453978332 /nfs/dbraw/zinc/97/83/32/453978332.db2.gz XINYJIGWERZONW-KRWDZBQOSA-N 1 0 347.466 3.437 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1cccnc1 ZINC000055369176 453978483 /nfs/dbraw/zinc/97/84/83/453978483.db2.gz POSHBYJHIAQKNX-OAHLLOKOSA-N 1 0 342.468 3.306 50 0 EGAARO C[C@@H](NC(=O)CC[NH+]1CCCCCCC1)c1cn2ccsc2n1 ZINC000055384377 453979850 /nfs/dbraw/zinc/97/98/50/453979850.db2.gz YNWITAGXQLRVEE-CQSZACIVSA-N 1 0 334.489 3.229 50 0 EGAARO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)c2ccncc2Cl)C1 ZINC000067965719 453984771 /nfs/dbraw/zinc/98/47/71/453984771.db2.gz ZKOAUJBOTZOCDW-HNNXBMFYSA-N 1 0 343.858 3.295 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(c2ccc(F)cc2)CC1 ZINC000095361632 454196715 /nfs/dbraw/zinc/19/67/15/454196715.db2.gz TYNIWWJIASWJAZ-GOSISDBHSA-N 1 0 347.478 3.175 50 0 EGAARO CCc1cnc(N)nc1NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000095382781 454200486 /nfs/dbraw/zinc/20/04/86/454200486.db2.gz UHDGZBCJDJAXSU-KRWDZBQOSA-N 1 0 325.460 3.260 50 0 EGAARO Cc1ccc(C[NH2+]Cc2c(C(C)C)nn(C)c2N2CCOCC2)s1 ZINC000058416378 454201399 /nfs/dbraw/zinc/20/13/99/454201399.db2.gz SLEVTQNCYBCOKF-UHFFFAOYSA-N 1 0 348.516 3.040 50 0 EGAARO Cc1nc2c(c(NCC[C@H]3CCC[N@H+]3C)n1)Cc1ccccc1OC2 ZINC000095521377 454226161 /nfs/dbraw/zinc/22/61/61/454226161.db2.gz NTQIXLYSIAEZBX-MRXNPFEDSA-N 1 0 338.455 3.164 50 0 EGAARO C[n+]1ccc(-c2nnc3n2-c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000095918143 454231748 /nfs/dbraw/zinc/23/17/48/454231748.db2.gz PJVLALIQSDFKAY-IBGZPJMESA-N 1 0 341.394 3.241 50 0 EGAARO O=c1cc(C[NH+]2CCC(OCc3cccnc3)CC2)[nH]c2ccccc12 ZINC000091381845 454432513 /nfs/dbraw/zinc/43/25/13/454432513.db2.gz HGBQKPCSTKNJGE-UHFFFAOYSA-N 1 0 349.434 3.104 50 0 EGAARO c1cc2c(c(-n3nc(C4CCOCC4)nc3[C@H]3CCC[NH2+]3)c1)CCC2 ZINC000097632041 454442257 /nfs/dbraw/zinc/44/22/57/454442257.db2.gz RPUVRVFIXVDFPE-QGZVFWFLSA-N 1 0 338.455 3.075 50 0 EGAARO CCCCCCc1ccc(NC(=O)N2C[C@H]([NH+](C)C)C[C@H]2CO)cc1 ZINC000097713451 454444967 /nfs/dbraw/zinc/44/49/67/454444967.db2.gz XEUKKSWRXAYGEB-MOPGFXCFSA-N 1 0 347.503 3.338 50 0 EGAARO OC[C@@]1(CC2CC2)CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000091547017 454445238 /nfs/dbraw/zinc/44/52/38/454445238.db2.gz PDMQMGFMANGKNZ-MRXNPFEDSA-N 1 0 328.378 3.475 50 0 EGAARO Cn1c2ccccc2c2cc(CC(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)ccc21 ZINC000091574139 454445801 /nfs/dbraw/zinc/44/58/01/454445801.db2.gz UCCZCROPUMRMJF-MOPGFXCFSA-N 1 0 347.462 3.070 50 0 EGAARO O[C@@H]1C[C@H](O)C12CC[NH+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000091563016 454446569 /nfs/dbraw/zinc/44/65/69/454446569.db2.gz OFRCWHLHKWPPQO-OYRHEFFESA-N 1 0 337.463 3.026 50 0 EGAARO Cc1ncsc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091586870 454447578 /nfs/dbraw/zinc/44/75/78/454447578.db2.gz CYIHNEJFUQEPAE-IAGOWNOFSA-N 1 0 341.480 3.188 50 0 EGAARO CC(C)N1CCC[C@@]2(CC[N@H+](CCCOCc3ccccc3)C2)C1=O ZINC000091620327 454450066 /nfs/dbraw/zinc/45/00/66/454450066.db2.gz PNWGYTOVSSONGK-NRFANRHFSA-N 1 0 344.499 3.316 50 0 EGAARO COCCN(Cc1ccccc1C)C(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000091663959 454454006 /nfs/dbraw/zinc/45/40/06/454454006.db2.gz LSLKXRNHBAPIGC-SFHVURJKSA-N 1 0 332.488 3.092 50 0 EGAARO CC(=O)c1cnc(NCC2(c3ccccc3)CC[NH+](C)CC2)nc1C ZINC000091745942 454466763 /nfs/dbraw/zinc/46/67/63/454466763.db2.gz BWAINLCYECLGFT-UHFFFAOYSA-N 1 0 338.455 3.063 50 0 EGAARO COc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(C)cc2C)CC1 ZINC000065255248 454544332 /nfs/dbraw/zinc/54/43/32/454544332.db2.gz GUFAOWHRRONGHU-HXUWFJFHSA-N 1 0 340.467 3.168 50 0 EGAARO c1ccc(N2CCc3nc(N4CCC([NH+]5CCCC5)CC4)ncc32)cc1 ZINC000065399338 454560227 /nfs/dbraw/zinc/56/02/27/454560227.db2.gz AXLNALFDKGRADP-UHFFFAOYSA-N 1 0 349.482 3.235 50 0 EGAARO C[C@H]([NH2+]Cc1scnc1-c1ccccc1)C(=O)Nc1nccs1 ZINC000065451853 454569382 /nfs/dbraw/zinc/56/93/82/454569382.db2.gz CZYGVKOFCSPNDG-NSHDSACASA-N 1 0 344.465 3.383 50 0 EGAARO COc1ccc(OCC[NH2+]Cc2ccc(C(F)(F)F)nc2)cc1 ZINC000065455266 454570012 /nfs/dbraw/zinc/57/00/12/454570012.db2.gz OGLYBYXPBQAVPE-UHFFFAOYSA-N 1 0 326.318 3.278 50 0 EGAARO CC(C)=CCN1CC[N@H+](Cc2cccc3cnccc32)C[C@H]1CCO ZINC000104360268 454582711 /nfs/dbraw/zinc/58/27/11/454582711.db2.gz LOIIRFMZRREDFD-HXUWFJFHSA-N 1 0 339.483 3.070 50 0 EGAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000065531521 454585130 /nfs/dbraw/zinc/58/51/30/454585130.db2.gz BGMLXTYVIKEIGM-INIZCTEOSA-N 1 0 334.423 3.298 50 0 EGAARO C[N@@H+]1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1CCO ZINC000104401267 454585622 /nfs/dbraw/zinc/58/56/22/454585622.db2.gz INQYXBDWBAKYFL-CQSZACIVSA-N 1 0 334.847 3.098 50 0 EGAARO O=C(c1cccnc1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638400 454709038 /nfs/dbraw/zinc/70/90/38/454709038.db2.gz QPYOWBBLJIDUDA-WOJBJXKFSA-N 1 0 335.451 3.351 50 0 EGAARO C[C@@H](NC(=O)CCN1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000163286909 454836336 /nfs/dbraw/zinc/83/63/36/454836336.db2.gz MZOIZSMNHOGLHN-GOSISDBHSA-N 1 0 343.515 3.204 50 0 EGAARO COc1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1F ZINC000178046684 454930222 /nfs/dbraw/zinc/93/02/22/454930222.db2.gz CLXKKWCKTCSMQX-UHFFFAOYSA-N 1 0 342.414 3.360 50 0 EGAARO Cn1ccc(NC(=O)CN2CCCCC[C@@H]2c2cccc(F)c2)n1 ZINC000252481952 455808494 /nfs/dbraw/zinc/80/84/94/455808494.db2.gz CVWXLXBUCKFIQA-MRXNPFEDSA-N 1 0 330.407 3.115 50 0 EGAARO O=C(/C=C/c1ccoc1)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252532961 455820735 /nfs/dbraw/zinc/82/07/35/455820735.db2.gz FORLNHIOFWQANB-OWOJBTEDSA-N 1 0 334.485 3.017 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000216244369 456029366 /nfs/dbraw/zinc/02/93/66/456029366.db2.gz AYFZTJNWXBBOQF-INIZCTEOSA-N 1 0 337.467 3.391 50 0 EGAARO Cc1nn(C)c(C)c1CN(Cc1cc(C[NH+](C)C)cs1)C1CC1 ZINC000220199972 456038677 /nfs/dbraw/zinc/03/86/77/456038677.db2.gz QZDPJDMJTPGOEF-UHFFFAOYSA-N 1 0 332.517 3.325 50 0 EGAARO CC[NH+](CC)Cc1cc(C(=O)N(C)Cc2ccncc2C)c(C)o1 ZINC000220419093 456040132 /nfs/dbraw/zinc/04/01/32/456040132.db2.gz UUHDGDFBCSEWBU-UHFFFAOYSA-N 1 0 329.444 3.405 50 0 EGAARO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000220469326 456040366 /nfs/dbraw/zinc/04/03/66/456040366.db2.gz OMDUTSXHBARPAO-AWEZNQCLSA-N 1 0 328.378 3.191 50 0 EGAARO COCC1(NC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)CCCC1 ZINC000299763522 456779278 /nfs/dbraw/zinc/77/92/78/456779278.db2.gz WOPDANNWQVPFAZ-OTWHNJEPSA-N 1 0 342.483 3.287 50 0 EGAARO Cc1nccn1CC[N@@H+](C)CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000299783980 456780730 /nfs/dbraw/zinc/78/07/30/456780730.db2.gz HHZWLBXQONQTMA-UHFFFAOYSA-N 1 0 334.851 3.114 50 0 EGAARO COc1ccc(C(=O)N2CCC3(C2)CCCCCC3)c(OCC[NH3+])c1 ZINC000426438936 457830629 /nfs/dbraw/zinc/83/06/29/457830629.db2.gz TUPMXYYKVAFONH-UHFFFAOYSA-N 1 0 346.471 3.219 50 0 EGAARO COc1ncccc1C[N@@H+]1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 ZINC000426478916 457838151 /nfs/dbraw/zinc/83/81/51/457838151.db2.gz LGNSSAGPGFVENN-CMKODMSKSA-N 1 0 346.471 3.029 50 0 EGAARO [NH3+]CCc1nnc(SCC[C@H]2CC2(F)F)n1-c1ccc(F)cc1 ZINC000426535045 457850488 /nfs/dbraw/zinc/85/04/88/457850488.db2.gz FNQMITQPQVZDJX-JTQLQIEISA-N 1 0 342.390 3.045 50 0 EGAARO CN(CCCSc1ccccc1)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000426551104 457853626 /nfs/dbraw/zinc/85/36/26/457853626.db2.gz KXLQBBZYLMXWMP-MRXNPFEDSA-N 1 0 335.517 3.295 50 0 EGAARO Cc1ccc2c(c1)C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000558110661 459131859 /nfs/dbraw/zinc/13/18/59/459131859.db2.gz QSIQBYQCLVKAGI-GOSISDBHSA-N 1 0 331.843 3.446 50 0 EGAARO Cn1ccnc1[C@@H]([NH2+]C1CCN(c2ccccc2F)CC1)C1CC1 ZINC000534586689 459335043 /nfs/dbraw/zinc/33/50/43/459335043.db2.gz FBIOAKVFMPGJMN-SFHVURJKSA-N 1 0 328.435 3.269 50 0 EGAARO Cc1ccc([C@@H](C)NC(=O)N(C)CCC[NH+]2CCCCCC2)cn1 ZINC000534634266 459338848 /nfs/dbraw/zinc/33/88/48/459338848.db2.gz GJJFDCDDQWZIEI-QGZVFWFLSA-N 1 0 332.492 3.359 50 0 EGAARO Cc1ccc(OCCCN(C)C(=O)N[C@@H](C)C[NH+]2CCCC2)c(C)c1 ZINC000534635611 459340480 /nfs/dbraw/zinc/34/04/80/459340480.db2.gz DRNVVEWCSDBZKS-SFHVURJKSA-N 1 0 347.503 3.198 50 0 EGAARO COc1ccccc1CN(C(=O)NC[C@@H](C)[NH+](C)C)C1CCCC1 ZINC000534655125 459342600 /nfs/dbraw/zinc/34/26/00/459342600.db2.gz MWLPIPXMCDQVNB-OAHLLOKOSA-N 1 0 333.476 3.100 50 0 EGAARO C[C@H](NC(=O)C[N@@H+]1CCCN(c2ccccc2)CC1)c1ccccc1 ZINC000613567011 460998124 /nfs/dbraw/zinc/99/81/24/460998124.db2.gz LIPHBCQFUFDKEN-SFHVURJKSA-N 1 0 337.467 3.076 50 0 EGAARO CC[NH2+]Cc1cc(C[C@@H]2CC(=O)N(c3ccccc3)C2)ccc1OC ZINC000244787925 535478321 /nfs/dbraw/zinc/47/83/21/535478321.db2.gz QGIXQCCFEFTPAP-QGZVFWFLSA-N 1 0 338.451 3.400 50 0 EGAARO Cc1cccc(CN(C(=O)CC[C@H](C)[NH+]2CCN(C)CC2)C(C)C)c1 ZINC000055244515 546558529 /nfs/dbraw/zinc/55/85/29/546558529.db2.gz WXHGEXXGIUMNRI-IBGZPJMESA-N 1 0 345.531 3.148 50 0 EGAARO COc1ccc(-c2ccc3c(c2)OC[C@@H]([NH+]2CCCC2)[C@@H]3O)cc1 ZINC000212283026 547238407 /nfs/dbraw/zinc/23/84/07/547238407.db2.gz FMPCCLOENLRSTO-UYAOXDASSA-N 1 0 325.408 3.252 50 0 EGAARO Cc1nnc([C@H]2OCC[C@H]2C[NH2+]Cc2oc3ccccc3c2Cl)[nH]1 ZINC000685940771 550456328 /nfs/dbraw/zinc/45/63/28/550456328.db2.gz UKUNFRHROUHSGL-ZBEGNZNMSA-N 1 0 346.818 3.380 50 0 EGAARO O=c1c2cccc(F)c2ncn1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584884684 564131424 /nfs/dbraw/zinc/13/14/24/564131424.db2.gz AAHBEIBOTJJJIR-MRXNPFEDSA-N 1 0 337.398 3.373 50 0 EGAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000019223904 1291191803 /nfs/dbraw/zinc/19/18/03/1291191803.db2.gz MBDIMPDJUNKOEU-QRURKXGXSA-N 1 0 338.455 3.091 50 0 EGAARO c1ccc2c(c1)CC(N1CCC[C@@H]([NH2+]C3CSCCSC3)C1)C2 ZINC000020996826 1291195449 /nfs/dbraw/zinc/19/54/49/1291195449.db2.gz IEEMEYDOBSAWGF-QGZVFWFLSA-N 1 0 348.581 3.056 50 0 EGAARO OCC[NH+]1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000022862517 1291226797 /nfs/dbraw/zinc/22/67/97/1291226797.db2.gz ATKYHVZXULZCIR-UHFFFAOYSA-N 1 0 346.858 3.242 50 0 EGAARO Cc1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000055382899 1291781289 /nfs/dbraw/zinc/78/12/89/1291781289.db2.gz ZOYNJNQUXQDJPT-OAHLLOKOSA-N 1 0 345.468 3.299 50 0 EGAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2)N1CCc1cccs1 ZINC000828258685 1292448179 /nfs/dbraw/zinc/44/81/79/1292448179.db2.gz RTICWPCNUQMGBE-KRWDZBQOSA-N 1 0 328.481 3.462 50 0 EGAARO CC(C)(C)c1ccc(=O)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000585499427 1298040622 /nfs/dbraw/zinc/04/06/22/1298040622.db2.gz ICQAPQQDYUJIND-UHFFFAOYSA-N 1 0 339.483 3.453 50 0 EGAARO c1csc(CN2CCC[C@H]([NH2+]C3CSCCSC3)C2)c1 ZINC000820424932 1319887978 /nfs/dbraw/zinc/88/79/78/1319887978.db2.gz WPQFJBMENYHVCM-ZDUSSCGKSA-N 1 0 328.572 3.151 50 0 EGAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2ccc(-c3cc[nH]n3)s2)n1 ZINC000823709305 1320199634 /nfs/dbraw/zinc/19/96/34/1320199634.db2.gz VSTGXGSUDNTRRW-UHFFFAOYSA-N 1 0 329.473 3.474 50 0 EGAARO Fc1cccc(-n2cc(C[NH2+][C@@H]3CCN(c4ccccc4)C3)cn2)c1 ZINC000826621230 1320391514 /nfs/dbraw/zinc/39/15/14/1320391514.db2.gz TYJYXURBUGSCSQ-GOSISDBHSA-N 1 0 336.414 3.380 50 0 EGAARO Cc1ccccc1CSCCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000827267966 1320439657 /nfs/dbraw/zinc/43/96/57/1320439657.db2.gz KCMMWABGIMJBGD-KRWDZBQOSA-N 1 0 335.517 3.141 50 0 EGAARO Cc1n[nH]c(C)c1C[N@H+](CCOc1ccccc1)C[C@H]1CCCO1 ZINC000952868575 1334583878 /nfs/dbraw/zinc/58/38/78/1334583878.db2.gz AUGHAUJUHXBPIU-GOSISDBHSA-N 1 0 329.444 3.087 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)CC1 ZINC000952975087 1334628724 /nfs/dbraw/zinc/62/87/24/1334628724.db2.gz LWJKZRRMBDFHCH-MRXNPFEDSA-N 1 0 349.906 3.497 50 0 EGAARO Fc1cccc(CN2CCC[N@@H+](C3CSCCSC3)CC2)c1 ZINC000952981307 1334630164 /nfs/dbraw/zinc/63/01/64/1334630164.db2.gz DFLPVBGHBHCOSQ-UHFFFAOYSA-N 1 0 340.533 3.182 50 0 EGAARO Cc1c2cccc(Cl)c2[nH]c1C[NH2+]CCN1CCCC[C@H]1CO ZINC000952984978 1334630864 /nfs/dbraw/zinc/63/08/64/1334630864.db2.gz DGJLPRUOXVUVMC-AWEZNQCLSA-N 1 0 335.879 3.066 50 0 EGAARO O[C@@H]1C[N@H+](CCCC(F)(F)F)C[C@H]1Cc1ccc2ccccc2n1 ZINC001704299168 1416432978 /nfs/dbraw/zinc/43/29/78/1416432978.db2.gz NPEPMWMQMHCYCB-RHSMWYFYSA-N 1 0 338.373 3.413 50 0 EGAARO Cc1[nH+]c(N2CCCC2)nc(N2CCC3(CCOCC3)CC2)c1C ZINC001704329909 1416445738 /nfs/dbraw/zinc/44/57/38/1416445738.db2.gz DHJMNTXVFSMRPH-UHFFFAOYSA-N 1 0 330.476 3.091 50 0 EGAARO Cc1ccsc1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772710292 1441417319 /nfs/dbraw/zinc/41/73/19/1441417319.db2.gz PZIXDRHUWWGQQS-FXAWDEMLSA-N 1 0 340.492 3.351 50 0 EGAARO COc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)nc2ccccc21 ZINC001772805659 1441417483 /nfs/dbraw/zinc/41/74/83/1441417483.db2.gz OKUHTIXIUSTZOI-GOSISDBHSA-N 1 0 341.455 3.094 50 0 EGAARO Cc1cccc(N2CC[NH+](C[C@H]3CCC(=O)N(C(C)C)C3)CC2)c1C ZINC001772812908 1441417535 /nfs/dbraw/zinc/41/75/35/1441417535.db2.gz RVYSIVRZPCUFSD-LJQANCHMSA-N 1 0 343.515 3.072 50 0 EGAARO CC(C)N1C[C@H](C[NH+]2CCC(Oc3ccccc3F)CC2)CCC1=O ZINC001772819676 1441417794 /nfs/dbraw/zinc/41/77/94/1441417794.db2.gz ZDIOWKGSUXAKCW-INIZCTEOSA-N 1 0 348.462 3.316 50 0 EGAARO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000056908335 214395261 /nfs/dbraw/zinc/39/52/61/214395261.db2.gz JVFFOAOSYLVLMR-GFCCVEGCSA-N 1 0 330.350 3.002 50 0 EGAARO COc1cc(C)c(-c2nc(CN3CCC[C@H](C[NH3+])C3)c(C)o2)cc1C ZINC000067472641 215150945 /nfs/dbraw/zinc/15/09/45/215150945.db2.gz KDFATRGVFVRQMM-MRXNPFEDSA-N 1 0 343.471 3.446 50 0 EGAARO CC(C)C(=O)N1CCC(OCC2=CCC[N@@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000067473510 215152060 /nfs/dbraw/zinc/15/20/60/215152060.db2.gz QKGVGQIPMNMBAP-IBGZPJMESA-N 1 0 346.515 3.391 50 0 EGAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccc(Br)cc1 ZINC000040267846 213285752 /nfs/dbraw/zinc/28/57/52/213285752.db2.gz XKCUOIIJBXANNM-WBVHZDCISA-N 1 0 343.224 3.374 50 0 EGAARO C[C@@H]1C[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@@H](C)O1 ZINC000019893775 202025333 /nfs/dbraw/zinc/02/53/33/202025333.db2.gz BTEPOPVDLPKRBZ-ZACQAIPSSA-N 1 0 338.451 3.265 50 0 EGAARO O=C(COc1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019889226 202025405 /nfs/dbraw/zinc/02/54/05/202025405.db2.gz KGXFBIZRNALOQA-MRXNPFEDSA-N 1 0 348.874 3.219 50 0 EGAARO Cc1ccc(CN2CC[N@H+](Cc3cccc(C)c3)C[C@@H]2CCO)cc1 ZINC000020912310 202058068 /nfs/dbraw/zinc/05/80/68/202058068.db2.gz XTAUIOUSXVEFAY-QFIPXVFZSA-N 1 0 338.495 3.372 50 0 EGAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](C)[NH+]3CCCCC3)no2)cc1 ZINC000032594184 202229109 /nfs/dbraw/zinc/22/91/09/202229109.db2.gz QUYWGUDINDUMPH-OAHLLOKOSA-N 1 0 327.428 3.254 50 0 EGAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1CC[C@]2(CN(C)C(=O)O2)C1 ZINC000072432696 216226512 /nfs/dbraw/zinc/22/65/12/216226512.db2.gz AZWPNCNLBLWUNJ-KRWDZBQOSA-N 1 0 333.819 3.156 50 0 EGAARO Cc1nnc2n1C[C@H]([NH2+]Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000097199348 201382630 /nfs/dbraw/zinc/38/26/30/201382630.db2.gz RLZINSPFKVNQOM-QGZVFWFLSA-N 1 0 334.423 3.483 50 0 EGAARO Cc1cccc(-n2cc(C[NH+]3CCC(O)(c4cccnc4)CC3)cn2)c1 ZINC000215101366 241106144 /nfs/dbraw/zinc/10/61/44/241106144.db2.gz ZYGBIMAVCHBWCM-UHFFFAOYSA-N 1 0 348.450 3.059 50 0 EGAARO Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@](O)(CO)C3)cc2)cc1C ZINC000215220127 241114427 /nfs/dbraw/zinc/11/44/27/241114427.db2.gz LIGLBJLQMZGGLF-HXUWFJFHSA-N 1 0 327.424 3.025 50 0 EGAARO CNc1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)cs1 ZINC000215778518 241145722 /nfs/dbraw/zinc/14/57/22/241145722.db2.gz PZUUJRVRTWQSIJ-INIZCTEOSA-N 1 0 344.484 3.142 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@@H](c3cccc(OC)c3OC)C2)cn1 ZINC000216230355 241174740 /nfs/dbraw/zinc/17/47/40/241174740.db2.gz AHVCJSOWFPAWBV-OAHLLOKOSA-N 1 0 328.412 3.097 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc3cc(F)ccc3n2C)C1 ZINC000216259392 241177015 /nfs/dbraw/zinc/17/70/15/241177015.db2.gz QPDCTPVAJFKEIC-CYBMUJFWSA-N 1 0 329.419 3.016 50 0 EGAARO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1nnc(C2CC2)s1 ZINC000244659449 243051995 /nfs/dbraw/zinc/05/19/95/243051995.db2.gz HCTHXIPMRNQRSV-JSGCOSHPSA-N 1 0 334.489 3.256 50 0 EGAARO C[NH+](C)Cn1cc(CCC(=O)N2CCCCCC2)c2ccccc21 ZINC000020649628 212160249 /nfs/dbraw/zinc/16/02/49/212160249.db2.gz ALFCGSKZAXFRBY-UHFFFAOYSA-N 1 0 327.472 3.496 50 0 EGAARO CC(C)(C)[NH2+]C[C@@H](O)Cc1nc2ccccc2n1Cc1ccccc1 ZINC000071767422 203112018 /nfs/dbraw/zinc/11/20/18/203112018.db2.gz HRUYZKQIVARJOL-KRWDZBQOSA-N 1 0 337.467 3.376 50 0 EGAARO Cc1cc(NCCC[NH+]2CCN(c3ccccc3)CC2)nc(Cl)n1 ZINC000071775409 203112096 /nfs/dbraw/zinc/11/20/96/203112096.db2.gz VJTYKPDMGFEMCO-UHFFFAOYSA-N 1 0 345.878 3.063 50 0 EGAARO Nc1nc(Cn2ccnc2-c2cc(C[NH+]3CCCC3)cs2)cs1 ZINC000071760128 203109125 /nfs/dbraw/zinc/10/91/25/203109125.db2.gz 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ZINC000072157504 203176824 /nfs/dbraw/zinc/17/68/24/203176824.db2.gz YWXBNWOTGXKWIC-UHFFFAOYSA-N 1 0 330.480 3.208 50 0 EGAARO Oc1ccc(CN2CCC[N@H+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000072166717 203179028 /nfs/dbraw/zinc/17/90/28/203179028.db2.gz OOFIKQVFKVSLHS-UHFFFAOYSA-N 1 0 331.847 3.149 50 0 EGAARO O=C(NCc1ccc2c(c1)CCCO2)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072170454 203180350 /nfs/dbraw/zinc/18/03/50/203180350.db2.gz VTTXHLIJRSSPQB-KRWDZBQOSA-N 1 0 336.435 3.019 50 0 EGAARO CSc1ccc(CN2CCC[C@H]([NH+]3CCC(CO)CC3)C2)cc1 ZINC000020167281 212108122 /nfs/dbraw/zinc/10/81/22/212108122.db2.gz YDLYTOPGZWEAPC-SFHVURJKSA-N 1 0 334.529 3.077 50 0 EGAARO Cc1nccn1[C@H](C)C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072476776 203232013 /nfs/dbraw/zinc/23/20/13/203232013.db2.gz OATRBZMYQUGOHD-QGZVFWFLSA-N 1 0 346.519 3.400 50 0 EGAARO Cc1cccc([C@H]2CCC[N@H+](Cc3cccc(OCC(N)=O)c3)C2)c1 ZINC000072480764 203232451 /nfs/dbraw/zinc/23/24/51/203232451.db2.gz CGFPHRQHCVGONM-IBGZPJMESA-N 1 0 338.451 3.239 50 0 EGAARO OCC[C@@H]1CN(c2ccc3ccccc3n2)CC[N@@H+]1C1CCCCC1 ZINC000072423600 203219950 /nfs/dbraw/zinc/21/99/50/203219950.db2.gz KMRIDCSLBTYIFO-LJQANCHMSA-N 1 0 339.483 3.441 50 0 EGAARO CC[C@@H](C)[NH+]1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000019889696 212079355 /nfs/dbraw/zinc/07/93/55/212079355.db2.gz FTQIGRAYHZTTOY-CYBMUJFWSA-N 1 0 341.293 3.374 50 0 EGAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000077319833 203379955 /nfs/dbraw/zinc/37/99/55/203379955.db2.gz GBEKCHPROBFHLM-SFHVURJKSA-N 1 0 327.428 3.180 50 0 EGAARO CCn1ccc2c1cccc2C[N@H+]1C[C@@H](C(C)C)[C@H](NC(C)=O)C1 ZINC000077355268 203382472 /nfs/dbraw/zinc/38/24/72/203382472.db2.gz NWYDTEUBOSVNRH-RBUKOAKNSA-N 1 0 327.472 3.254 50 0 EGAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3cccc4nonc43)C2)c1 ZINC000077388525 203384610 /nfs/dbraw/zinc/38/46/10/203384610.db2.gz NPDIOKSMPYSCKV-ZDUSSCGKSA-N 1 0 339.395 3.230 50 0 EGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCn2cccn2)cc1 ZINC000077470710 203390449 /nfs/dbraw/zinc/39/04/49/203390449.db2.gz HOKBALAZQPJBKK-IBGZPJMESA-N 1 0 340.471 3.089 50 0 EGAARO CCCCc1nc(CN2CCCN(c3cc[nH+]cc3C)CC2)c[nH]1 ZINC000077504942 203392338 /nfs/dbraw/zinc/39/23/38/203392338.db2.gz CCYWEJUJUPNJSY-UHFFFAOYSA-N 1 0 327.476 3.168 50 0 EGAARO Cc1cc(N2CCC(c3nccn3Cc3ccncc3)CC2)cc[nH+]1 ZINC000091644513 203643298 /nfs/dbraw/zinc/64/32/98/203643298.db2.gz KMODBRAAUIIESA-UHFFFAOYSA-N 1 0 333.439 3.414 50 0 EGAARO O=C(NCc1ccc(Cl)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095501894 203750968 /nfs/dbraw/zinc/75/09/68/203750968.db2.gz ILKSJZWUIZXFRD-SJLPKXTDSA-N 1 0 347.890 3.356 50 0 EGAARO CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)s1 ZINC000091872419 218081348 /nfs/dbraw/zinc/08/13/48/218081348.db2.gz QVFRNHRTTSEMEO-HZPDHXFCSA-N 1 0 346.496 3.287 50 0 EGAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000095374594 218308245 /nfs/dbraw/zinc/30/82/45/218308245.db2.gz QDCQGXVDEXDPAF-GOSISDBHSA-N 1 0 349.482 3.377 50 0 EGAARO C[C@H](c1ccc(-c2ccc(CS(C)(=O)=O)cn2)cc1)[NH+]1CCCC1 ZINC000426485506 257966717 /nfs/dbraw/zinc/96/67/17/257966717.db2.gz AMTIHYOWQUAZDV-OAHLLOKOSA-N 1 0 344.480 3.450 50 0 EGAARO CCc1cccc(C)c1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299773623 258085319 /nfs/dbraw/zinc/08/53/19/258085319.db2.gz DUZVXQJSQJVZIY-SFHVURJKSA-N 1 0 345.487 3.322 50 0 EGAARO Cn1ncc(Cl)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299776320 258086436 /nfs/dbraw/zinc/08/64/36/258086436.db2.gz AMUGRHDSBDYHEA-MRXNPFEDSA-N 1 0 346.862 3.031 50 0 EGAARO Cc1ccc(OCC[NH3+])c(C(=O)N[C@@H](CC(C)C)c2cccnc2)c1 ZINC000299776007 258086808 /nfs/dbraw/zinc/08/68/08/258086808.db2.gz MJARKKOSGQPSOV-SFHVURJKSA-N 1 0 341.455 3.245 50 0 EGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(-c2cscn2)cc1 ZINC000299788124 258094568 /nfs/dbraw/zinc/09/45/68/258094568.db2.gz VHPRSKCXFSEKDC-OAHLLOKOSA-N 1 0 330.457 3.416 50 0 EGAARO c1cc(OC2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)ccn1 ZINC000299788909 258094850 /nfs/dbraw/zinc/09/48/50/258094850.db2.gz XAZPHYKHNUXXTE-FXAWDEMLSA-N 1 0 329.488 3.189 50 0 EGAARO COCC[NH2+][C@@H]1CCOc2ccc(-c3cccc(NC(C)=O)c3)cc21 ZINC000299803877 258105926 /nfs/dbraw/zinc/10/59/26/258105926.db2.gz IXQBBLDVEUFBQY-LJQANCHMSA-N 1 0 340.423 3.372 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cnc(C4CCCCC4)nc3)[C@H]1C[C@H](O)CC2 ZINC000299758137 258076242 /nfs/dbraw/zinc/07/62/42/258076242.db2.gz DCPYGQRIAKGERL-WSTZPKSXSA-N 1 0 345.487 3.029 50 0 EGAARO CCc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000299759313 258076655 /nfs/dbraw/zinc/07/66/55/258076655.db2.gz FYNQJWZSFWBSGP-UHFFFAOYSA-N 1 0 329.469 3.100 50 0 EGAARO CC[NH+]1CCN(c2nc3ccccc3c(N3CCC[C@H](C)C3)n2)CC1 ZINC000006701652 273667248 /nfs/dbraw/zinc/66/72/48/273667248.db2.gz JEAYIPPKYRLYNK-INIZCTEOSA-N 1 0 339.487 3.008 50 0 EGAARO O[C@H]1Cc2ccccc2C12CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC000072171370 275059298 /nfs/dbraw/zinc/05/92/98/275059298.db2.gz XCHZREUKUSKMDV-IBGZPJMESA-N 1 0 329.390 3.416 50 0 EGAARO CC12CN3CC(C)(CN(C1)C31CC[NH+](Cc3ccccc3)CC1)C2 ZINC000019331574 276173488 /nfs/dbraw/zinc/17/34/88/276173488.db2.gz MAZURRJXODDPDG-UHFFFAOYSA-N 1 0 325.500 3.026 50 0 biogenic EGAARO C[NH+]1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=S)N2 ZINC000067172586 277036069 /nfs/dbraw/zinc/03/60/69/277036069.db2.gz KIQVZNNTGNQCPX-UHFFFAOYSA-N 1 0 338.274 3.002 50 0 EGAARO COCC(C)(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000097819638 277196397 /nfs/dbraw/zinc/19/63/97/277196397.db2.gz ZJIYYHCSPHVPRD-INIZCTEOSA-N 1 0 338.879 3.266 50 0 EGAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000082107312 288681471 /nfs/dbraw/zinc/68/14/71/288681471.db2.gz REDAXIFXJHZJEL-UHFFFAOYSA-N 1 0 331.508 3.016 50 0 EGAARO COc1ccc(C[N@H+](C)CCn2cc(Cl)cn2)c2cccnc12 ZINC000240128346 295125089 /nfs/dbraw/zinc/12/50/89/295125089.db2.gz IQCMZMVSUHCSON-UHFFFAOYSA-N 1 0 330.819 3.225 50 0 EGAARO Cc1cc(Br)c(C[NH2+][C@@H](CO)[C@H]2CCCO2)cc1Cl ZINC000449291751 310050639 /nfs/dbraw/zinc/05/06/39/310050639.db2.gz ACHGPGSHZRQWFT-UONOGXRCSA-N 1 0 348.668 3.040 50 0 EGAARO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1 ZINC000000001048 452491822 /nfs/dbraw/zinc/49/18/22/452491822.db2.gz UFDJFJYMMIZKLG-ZIAGYGMSSA-N 1 0 325.250 3.052 50 0 in-man EGAARO CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000001016838 452640490 /nfs/dbraw/zinc/64/04/90/452640490.db2.gz MIVUGKLYPJHLAB-CQSZACIVSA-N 1 0 331.441 3.361 50 0 EGAARO COc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)c(OC)c1C ZINC000002738292 452718068 /nfs/dbraw/zinc/71/80/68/452718068.db2.gz BOIWOJFBWSNQQH-UHFFFAOYSA-N 1 0 329.396 3.073 50 0 EGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c2ccccc2[nH]c1C(=O)OC ZINC000004806930 452820057 /nfs/dbraw/zinc/82/00/57/452820057.db2.gz UWEVRTAKFOVNAU-ZDUSSCGKSA-N 1 0 343.427 3.158 50 0 EGAARO CCCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCCC1)n2C ZINC000005206907 452846699 /nfs/dbraw/zinc/84/66/99/452846699.db2.gz JBIAJNXMHZIGKV-UHFFFAOYSA-N 1 0 328.460 3.340 50 0 EGAARO COc1ccc(-n2c(C)c(C)c3c2ncnc3NCC[NH+](C)C)cc1 ZINC000005268640 452852911 /nfs/dbraw/zinc/85/29/11/452852911.db2.gz ONOBGUDCWUSPMO-UHFFFAOYSA-N 1 0 339.443 3.019 50 0 EGAARO CCOC(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000006530527 452950044 /nfs/dbraw/zinc/95/00/44/452950044.db2.gz KQQTZEYEZFACFR-UHFFFAOYSA-N 1 0 327.428 3.160 50 0 EGAARO CC(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000011766721 453332891 /nfs/dbraw/zinc/33/28/91/453332891.db2.gz ALFQVAVSVZOLNB-UHFFFAOYSA-N 1 0 330.472 3.422 50 0 EGAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2=O)c1 ZINC000011933537 453340313 /nfs/dbraw/zinc/34/03/13/453340313.db2.gz OQNVEHSZXHBBIT-HXUWFJFHSA-N 1 0 346.446 3.059 50 0 EGAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)o1 ZINC000012004042 453340482 /nfs/dbraw/zinc/34/04/82/453340482.db2.gz DMJFDHCVJRCRLC-OAHLLOKOSA-N 1 0 330.403 3.369 50 0 EGAARO COCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011950713 453341315 /nfs/dbraw/zinc/34/13/15/453341315.db2.gz PIQZRJUCAJBEEC-IBGZPJMESA-N 1 0 332.488 3.002 50 0 EGAARO CCCn1cc(C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)c(C)n1 ZINC000012192907 453349730 /nfs/dbraw/zinc/34/97/30/453349730.db2.gz HBDALMFPSWPOBC-UHFFFAOYSA-N 1 0 346.519 3.216 50 0 EGAARO CSCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012478947 453364360 /nfs/dbraw/zinc/36/43/60/453364360.db2.gz DZKAPZSOTQIKMB-SFHVURJKSA-N 1 0 334.529 3.329 50 0 EGAARO COc1ccc(CC[C@@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000012454281 453365676 /nfs/dbraw/zinc/36/56/76/453365676.db2.gz IDEKKDHFHPTEPC-IBGZPJMESA-N 1 0 344.499 3.351 50 0 EGAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](C2CCOCC2)CC1 ZINC000012590898 453378510 /nfs/dbraw/zinc/37/85/10/453378510.db2.gz DMQKOYMPWFDQHS-UHFFFAOYSA-N 1 0 349.446 3.193 50 0 EGAARO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c(OC)c1 ZINC000016624192 453615848 /nfs/dbraw/zinc/61/58/48/453615848.db2.gz BLUGGARQGRPYQI-CQSZACIVSA-N 1 0 347.459 3.090 50 0 EGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)s1 ZINC000022851438 453700418 /nfs/dbraw/zinc/70/04/18/453700418.db2.gz LITAOPJNFVLHCT-IBGZPJMESA-N 1 0 344.524 3.434 50 0 EGAARO Cc1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cnn1-c1ccccc1C ZINC000027767660 453820361 /nfs/dbraw/zinc/82/03/61/453820361.db2.gz RFITYDXITOOAKE-MRXNPFEDSA-N 1 0 340.471 3.093 50 0 EGAARO Cc1ccc(-c2cc3c(N4CCC[N@@H+](C)CC4)nccn3n2)c(C)c1 ZINC000067285163 453918988 /nfs/dbraw/zinc/91/89/88/453918988.db2.gz UJTTYXLWHARLQC-UHFFFAOYSA-N 1 0 335.455 3.155 50 0 EGAARO CN(C(=O)c1ccc2nc(-c3ccccc3)cn2c1)C1CC[NH+](C)CC1 ZINC000082098239 453924136 /nfs/dbraw/zinc/92/41/36/453924136.db2.gz RIGSBLKTXBODFH-UHFFFAOYSA-N 1 0 348.450 3.168 50 0 EGAARO CC[N@@H+]1CCC[C@H](CN(C)c2nc(C)c3ccc(OC)cc3n2)C1 ZINC000067588194 453946155 /nfs/dbraw/zinc/94/61/55/453946155.db2.gz VVPQTTGCAHWDNE-OAHLLOKOSA-N 1 0 328.460 3.115 50 0 EGAARO Cn1ccnc1-c1ccc(Oc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000067649824 453953251 /nfs/dbraw/zinc/95/32/51/453953251.db2.gz FVQHYYKCJORXAH-UHFFFAOYSA-N 1 0 335.411 3.265 50 0 EGAARO O=C(CC1=CC[NH2+]CC1)N1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000055042287 453958209 /nfs/dbraw/zinc/95/82/09/453958209.db2.gz PNUWILWXTYSTPU-SFHVURJKSA-N 1 0 328.456 3.016 50 0 EGAARO COc1ccc(C[N@H+](C)CCOc2cc(C)cc(C)c2)cc1CO ZINC000055061125 453960071 /nfs/dbraw/zinc/96/00/71/453960071.db2.gz NHUGNXAVJYWNCQ-UHFFFAOYSA-N 1 0 329.440 3.315 50 0 EGAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C2CC[NH2+]CC2)CCO3)s1 ZINC000067770859 453965589 /nfs/dbraw/zinc/96/55/89/453965589.db2.gz NBWZLRLCXCKYGR-UHFFFAOYSA-N 1 0 344.480 3.376 50 0 EGAARO Cc1cc(N2CCC(c3n[nH]cc3Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000067855296 453972956 /nfs/dbraw/zinc/97/29/56/453972956.db2.gz AAVQTFMTAMAQLR-UHFFFAOYSA-N 1 0 348.454 3.065 50 0 EGAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cc3ccc(F)cc3[nH]c2=O)c1 ZINC000055327862 453976676 /nfs/dbraw/zinc/97/66/76/453976676.db2.gz XJLIUBDNWDSJDA-CQSZACIVSA-N 1 0 339.414 3.434 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1cccs1)Cc1ccc(NC(C)=O)cc1 ZINC000055341672 453977979 /nfs/dbraw/zinc/97/79/79/453977979.db2.gz OXQOQIKZDTVETN-QGZVFWFLSA-N 1 0 332.469 3.480 50 0 EGAARO c1cc(C[N@H+](Cc2ccc3nonc3c2)C[C@@H]2CCCO2)cs1 ZINC000055383352 453979725 /nfs/dbraw/zinc/97/97/25/453979725.db2.gz MCSVPKKZGCEPSV-HNNXBMFYSA-N 1 0 329.425 3.466 50 0 EGAARO CC[C@H]1CN(Cc2cc3cc(C)ccc3[nH]c2=O)CC[N@@H+]1C(C)C ZINC000067919656 453980868 /nfs/dbraw/zinc/98/08/68/453980868.db2.gz TXKRXUBLQXOTMZ-SFHVURJKSA-N 1 0 327.472 3.141 50 0 EGAARO Cn1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)(C)C)C2)c2ccccc21 ZINC000067947950 453983019 /nfs/dbraw/zinc/98/30/19/453983019.db2.gz XIOLYRQHLPXRIJ-OAHLLOKOSA-N 1 0 327.472 3.276 50 0 EGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH2+][C@@H](C)C1 ZINC000067981783 453986195 /nfs/dbraw/zinc/98/61/95/453986195.db2.gz SICWBVFMRJTICR-NSHDSACASA-N 1 0 339.361 3.463 50 0 EGAARO COC1(c2ccccc2)CCN(C(=O)CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000095365476 454196965 /nfs/dbraw/zinc/19/69/65/454196965.db2.gz NWYNUPVSXRAASK-GOSISDBHSA-N 1 0 344.499 3.273 50 0 EGAARO CCCCn1ccnc1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095375361 454198770 /nfs/dbraw/zinc/19/87/70/454198770.db2.gz IOJJEDNWFSPMLS-KRWDZBQOSA-N 1 0 346.519 3.264 50 0 EGAARO CSCCC[N@@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095372277 454199028 /nfs/dbraw/zinc/19/90/28/454199028.db2.gz VBNHARVFGFTPEI-IPMKNSEASA-N 1 0 332.513 3.007 50 0 EGAARO CSc1ccccc1C(=O)[C@H]1CCCN(c2cc(N)[nH+]c(C)n2)C1 ZINC000095389057 454200350 /nfs/dbraw/zinc/20/03/50/454200350.db2.gz QQSQPKXYTHQMCT-ZDUSSCGKSA-N 1 0 342.468 3.188 50 0 EGAARO Cc1cc2c(ncnc2N2CCC([NH2+][C@@H]3CCSC3)CC2)s1 ZINC000095512042 454225169 /nfs/dbraw/zinc/22/51/69/454225169.db2.gz BRXXRFNHVTWTCH-CYBMUJFWSA-N 1 0 334.514 3.064 50 0 EGAARO c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)cc2)cn1 ZINC000095516694 454226083 /nfs/dbraw/zinc/22/60/83/454226083.db2.gz RYBZVPCTWJYRRM-PZJWPPBQSA-N 1 0 336.483 3.179 50 0 EGAARO O=C([C@@H]1CCC[NH2+]1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095522520 454227748 /nfs/dbraw/zinc/22/77/48/454227748.db2.gz DCQGEXRHSWCESM-FQEVSTJZSA-N 1 0 334.463 3.347 50 0 EGAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc[nH]c1 ZINC000095529942 454229534 /nfs/dbraw/zinc/22/95/34/454229534.db2.gz WAWPTRWUBSAZAV-QGZVFWFLSA-N 1 0 343.446 3.181 50 0 EGAARO C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)n1cccc1 ZINC000131880120 454293737 /nfs/dbraw/zinc/29/37/37/454293737.db2.gz QAMNOKFKOISLDT-LJQANCHMSA-N 1 0 339.483 3.216 50 0 EGAARO Cc1nccn1CC1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000097117210 454412473 /nfs/dbraw/zinc/41/24/73/454412473.db2.gz JPBPLZYXDSPHQX-UHFFFAOYSA-N 1 0 335.455 3.355 50 0 EGAARO Cc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)cc[nH+]1 ZINC000091256028 454419617 /nfs/dbraw/zinc/41/96/17/454419617.db2.gz HXUVDJYAVDJVPM-UHFFFAOYSA-N 1 0 339.468 3.475 50 0 EGAARO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000091350713 454430254 /nfs/dbraw/zinc/43/02/54/454430254.db2.gz QTYYORVEFVRALI-IBGZPJMESA-N 1 0 344.499 3.315 50 0 EGAARO CC(C)Cc1noc([C@@H]2CCC[N@H+](Cc3cncn3C(C)C)C2)n1 ZINC000097307527 454432490 /nfs/dbraw/zinc/43/24/90/454432490.db2.gz CFHHMMFUCDSYCV-OAHLLOKOSA-N 1 0 331.464 3.425 50 0 EGAARO CCCCn1ccnc1C1CC[NH+](Cc2[nH]cc(C)c(=O)c2C)CC1 ZINC000091468341 454438825 /nfs/dbraw/zinc/43/88/25/454438825.db2.gz BCUUMJTUURZEEH-UHFFFAOYSA-N 1 0 342.487 3.368 50 0 EGAARO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](CCOCc1ccccc1)C2 ZINC000091643707 454454629 /nfs/dbraw/zinc/45/46/29/454454629.db2.gz ZSQTVCDOQBYUHA-VQTJNVASSA-N 1 0 342.483 3.092 50 0 EGAARO Fc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c(F)c1 ZINC000091831029 454478563 /nfs/dbraw/zinc/47/85/63/454478563.db2.gz PKKXSSJALXPEBI-HNAYVOBHSA-N 1 0 343.421 3.456 50 0 EGAARO CC[NH+](CC)Cc1cc(-c2nc(C)nn2-c2ccccn2)c(C)o1 ZINC000065372366 454555101 /nfs/dbraw/zinc/55/51/01/454555101.db2.gz WMAUROMYLXHLFE-UHFFFAOYSA-N 1 0 325.416 3.381 50 0 EGAARO Cc1cccc(NC(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1C ZINC000065436031 454567494 /nfs/dbraw/zinc/56/74/94/454567494.db2.gz UKQLDMZHPLWLNJ-IBGZPJMESA-N 1 0 337.467 3.106 50 0 EGAARO O[C@H](c1cccs1)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000065500669 454578022 /nfs/dbraw/zinc/57/80/22/454578022.db2.gz DFRYXHHYODMIGY-KRWDZBQOSA-N 1 0 331.437 3.422 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)/C=C/c2nccs2)[NH+]2CCCC2)o1 ZINC000065625338 454607668 /nfs/dbraw/zinc/60/76/68/454607668.db2.gz ORYNOLXXPYZXMB-PSKZRQQASA-N 1 0 331.441 3.011 50 0 EGAARO COc1ccc(Cl)cc1C(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000223127491 456054245 /nfs/dbraw/zinc/05/42/45/456054245.db2.gz GXBHDWNNVDHHRF-ZDUSSCGKSA-N 1 0 336.863 3.343 50 0 EGAARO CCCn1ncnc1[C@@H](C)NC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000223696112 456059711 /nfs/dbraw/zinc/05/97/11/456059711.db2.gz YRFHLAPTAHNFRA-MRXNPFEDSA-N 1 0 347.507 3.054 50 0 EGAARO O=C(Cc1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684569 456103258 /nfs/dbraw/zinc/10/32/58/456103258.db2.gz KEDAOHQDOUKPNP-FQEVSTJZSA-N 1 0 338.426 3.027 50 0 EGAARO CN(C)c1cccc(-c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000426376370 457815862 /nfs/dbraw/zinc/81/58/62/457815862.db2.gz MUUPPZUHFVQZBS-OAQYLSRUSA-N 1 0 349.478 3.340 50 0 EGAARO Cn1c(SCC2CCC(F)(F)CC2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426396367 457820847 /nfs/dbraw/zinc/82/08/47/457820847.db2.gz FYXPVTRUPHZGBT-GFCCVEGCSA-N 1 0 330.448 3.200 50 0 EGAARO [NH3+]CCOc1cccc(CC(=O)NCc2ccc3sccc3c2)c1 ZINC000426548722 457853074 /nfs/dbraw/zinc/85/30/74/457853074.db2.gz CMQHADSOAIOPJB-UHFFFAOYSA-N 1 0 340.448 3.098 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000426640597 457868770 /nfs/dbraw/zinc/86/87/70/457868770.db2.gz YBXDVBABTXVVFY-KRWDZBQOSA-N 1 0 338.455 3.373 50 0 EGAARO CCOc1ccc(CN(CC)C(=O)N[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000534632503 459338541 /nfs/dbraw/zinc/33/85/41/459338541.db2.gz ONHCUWZFTPLURQ-INIZCTEOSA-N 1 0 333.476 3.101 50 0 EGAARO Cc1cc(C)n(CCCC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000534644745 459341971 /nfs/dbraw/zinc/34/19/71/459341971.db2.gz SWDITVMYGADCTA-LJQANCHMSA-N 1 0 342.487 3.008 50 0 EGAARO Cc1ccnc(N)c1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000585136430 459828896 /nfs/dbraw/zinc/82/88/96/459828896.db2.gz FRUYYQCZXVWYEQ-UHFFFAOYSA-N 1 0 329.419 3.123 50 0 EGAARO CC(=O)c1cc(C[N@@H+]2CCCC[C@H]2CCn2ccnc2C)n(C)c1 ZINC000215109044 534817966 /nfs/dbraw/zinc/81/79/66/534817966.db2.gz QUEOADAOYAJYBV-SFHVURJKSA-N 1 0 328.460 3.177 50 0 EGAARO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(OC)c(OC)c2)cc1 ZINC000004989263 536526155 /nfs/dbraw/zinc/52/61/55/536526155.db2.gz CYKLVGQHRCUQHL-HNNXBMFYSA-N 1 0 329.440 3.476 50 0 EGAARO Cc1nnc([C@H]2OCC[C@H]2C[NH2+]C2CC(c3ccccc3Cl)C2)[nH]1 ZINC000685940092 550456393 /nfs/dbraw/zinc/45/63/93/550456393.db2.gz OLXSDZCZWFKVHG-VWLISTAJSA-N 1 0 346.862 3.380 50 0 EGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccoc3)oc2C)C1 ZINC000011879500 1291129633 /nfs/dbraw/zinc/12/96/33/1291129633.db2.gz IMVLVMMPEGCUHS-HNNXBMFYSA-N 1 0 345.443 3.323 50 0 EGAARO O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000888088574 1304031399 /nfs/dbraw/zinc/03/13/99/1304031399.db2.gz GJCIEWXEUGKKNU-BEFAXECRSA-N 1 0 325.456 3.091 50 0 EGAARO CCc1csc(C[NH2+]C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000823543375 1320186157 /nfs/dbraw/zinc/18/61/57/1320186157.db2.gz ZKGFPNNCSBITQJ-UHFFFAOYSA-N 1 0 335.498 3.161 50 0 EGAARO C[N@H+](C[C@H]1Cc2ccccc2O1)C1CCN(Cc2ccco2)CC1 ZINC000823664736 1320196127 /nfs/dbraw/zinc/19/61/27/1320196127.db2.gz DMNBIVQXECTROZ-LJQANCHMSA-N 1 0 326.440 3.180 50 0 EGAARO Cc1ccc(OC2CCN(c3ccc(C[NH+](C)C)cn3)CC2)cc1 ZINC000823709270 1320198862 /nfs/dbraw/zinc/19/88/62/1320198862.db2.gz RSWWWRBGOIVXKE-UHFFFAOYSA-N 1 0 325.456 3.499 50 0 EGAARO COc1cccc(N2CCC([NH2+][C@@H](C)c3nncn3C(C)C)CC2)c1 ZINC000824782197 1320285124 /nfs/dbraw/zinc/28/51/24/1320285124.db2.gz QSIJBMAAGPVMNQ-HNNXBMFYSA-N 1 0 343.475 3.187 50 0 EGAARO Cc1ccccc1[C@H]1CCN(CC[NH2+]C2CSCCSC2)C1 ZINC000825235605 1320320191 /nfs/dbraw/zinc/32/01/91/1320320191.db2.gz MCZAKXOTHSXYTQ-INIZCTEOSA-N 1 0 336.570 3.223 50 0 EGAARO CCc1cc(CN(C)C(=O)C2([NH+]3CCCCC3)CCCCC2)on1 ZINC000952861410 1334583309 /nfs/dbraw/zinc/58/33/09/1334583309.db2.gz FFORLWFXDKSRJK-UHFFFAOYSA-N 1 0 333.476 3.384 50 0 EGAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1c(-c2ccccc2)nc2ncccn12 ZINC000952870316 1334583806 /nfs/dbraw/zinc/58/38/06/1334583806.db2.gz VTGWKUBYXFHNGO-KRWDZBQOSA-N 1 0 346.438 3.161 50 0 EGAARO c1csc(CN2CCC[C@@H]([NH2+]Cc3cccc4nonc43)C2)c1 ZINC000952960358 1334625064 /nfs/dbraw/zinc/62/50/64/1334625064.db2.gz KBULVJFVMUTILB-CQSZACIVSA-N 1 0 328.441 3.039 50 0 EGAARO Cc1cc([C@H]2CCCN2C(=O)c2ccc(C[NH+]3CCCC3)o2)no1 ZINC000952964979 1334626587 /nfs/dbraw/zinc/62/65/87/1334626587.db2.gz AZMHEMHMNXKXIM-MRXNPFEDSA-N 1 0 329.400 3.149 50 0 EGAARO COc1cccc(N2CCC([NH2+]CCOc3ccccc3F)CC2)c1 ZINC000952977884 1334629394 /nfs/dbraw/zinc/62/93/94/1334629394.db2.gz AFLKLZMZDFUINU-UHFFFAOYSA-N 1 0 344.430 3.472 50 0 EGAARO Cc1ccn2cc(-c3ccc(NC(=O)c4coc(CN)n4)cc3)nc2c1 ZINC000952987205 1334631291 /nfs/dbraw/zinc/63/12/91/1334631291.db2.gz KMWGHNLWLAIEBP-UHFFFAOYSA-N 1 0 347.378 3.009 50 0 EGAARO CN(Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCC[N@H+](CCO)C1 ZINC000952991847 1334631751 /nfs/dbraw/zinc/63/17/51/1334631751.db2.gz TXVMOLZAAWQHSU-OAHLLOKOSA-N 1 0 347.890 3.024 50 0 EGAARO O[C@@H]1C[N@H+](Cc2cc(C3CCCCC3)no2)C[C@H]1Cc1ccccn1 ZINC001704298849 1416432735 /nfs/dbraw/zinc/43/27/35/1416432735.db2.gz KQLOTEQHUAIZLF-OXQOHEQNSA-N 1 0 341.455 3.153 50 0 EGAARO Cc1cc(C[C@@H]2CN(c3cc[nH+]c4c(C)c(C)ccc34)C[C@@H]2O)on1 ZINC001704309591 1416437824 /nfs/dbraw/zinc/43/78/24/1416437824.db2.gz XXVSMDZOIFMXFW-BEFAXECRSA-N 1 0 337.423 3.188 50 0 EGAARO Cc1cnc(NC[C@@H]2CCC[N@@H+](C3CCCCC3)C2)nc1N(C)C ZINC001704316290 1416440273 /nfs/dbraw/zinc/44/02/73/1416440273.db2.gz XMOIDFUTCAYNHA-INIZCTEOSA-N 1 0 331.508 3.308 50 0 EGAARO CC(C)CCOc1cccc(C[N@H+](C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1 ZINC001704325398 1416444672 /nfs/dbraw/zinc/44/46/72/1416444672.db2.gz JDKZGHWJMDYZJS-CEXWTWQISA-N 1 0 344.499 3.458 50 0 EGAARO Cc1ncsc1C[N@H+]1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1 ZINC001704340217 1416448862 /nfs/dbraw/zinc/44/88/62/1416448862.db2.gz QFLGUSSDPHXUNK-CRAIPNDOSA-N 1 0 339.464 3.035 50 0 EGAARO Cc1c[nH]c(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)c(C)c1=O ZINC001704337784 1416449030 /nfs/dbraw/zinc/44/90/30/1416449030.db2.gz ZLAVOSBSRGZZIC-UHFFFAOYSA-N 1 0 346.858 3.129 50 0 EGAARO Cc1cnc(NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)nc1N(C)C ZINC001704353370 1416453888 /nfs/dbraw/zinc/45/38/88/1416453888.db2.gz UWYWWUFBIUTGQP-KRWDZBQOSA-N 1 0 331.508 3.450 50 0 EGAARO Cc1cc(C)n(CCC[N@@H+](C)C[C@H]2CC(c3ccccc3)=NO2)n1 ZINC001704353422 1416453925 /nfs/dbraw/zinc/45/39/25/1416453925.db2.gz WSRGBFKFIIHTPZ-GOSISDBHSA-N 1 0 326.444 3.015 50 0 EGAARO Cn1cnnc1C1CC[NH+](Cc2cc(C3CCCCC3)no2)CC1 ZINC001704355154 1416454258 /nfs/dbraw/zinc/45/42/58/1416454258.db2.gz MEHZQOHHGXJRSC-UHFFFAOYSA-N 1 0 329.448 3.230 50 0 EGAARO CCOc1cc(C[N@@H+]2C[C@@H]3C[C@]3(C)C2)ccc1OCCn1ccnc1 ZINC001772808246 1441417357 /nfs/dbraw/zinc/41/73/57/1441417357.db2.gz KFSIFLJRXDQRSL-FXAWDEMLSA-N 1 0 341.455 3.203 50 0 EGAARO Cn1ccnc1-c1nccn1C[C@H](c1ccccc1Cl)[NH+](C)C ZINC000072427955 282251427 /nfs/dbraw/zinc/25/14/27/282251427.db2.gz UAAHIYBQMRVRCS-OAHLLOKOSA-N 1 0 329.835 3.240 50 0 EGAARO CC(C)C(=O)N1CCC(OCC2=CCC[N@@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000067473511 215151851 /nfs/dbraw/zinc/15/18/51/215151851.db2.gz QKGVGQIPMNMBAP-LJQANCHMSA-N 1 0 346.515 3.391 50 0 EGAARO O=C(NC[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1)c1cccc(O)c1 ZINC000067489517 215153805 /nfs/dbraw/zinc/15/38/05/215153805.db2.gz MDAZXBPNAMFNAI-KRZKXXONSA-N 1 0 336.435 3.157 50 0 EGAARO CCc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019536745 202011433 /nfs/dbraw/zinc/01/14/33/202011433.db2.gz HSGNYFXMKMELGX-UHFFFAOYSA-N 1 0 338.451 3.296 50 0 EGAARO C[N@@H+]1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000019790709 202021167 /nfs/dbraw/zinc/02/11/67/202021167.db2.gz QJUXLNTZRZUOOT-GOSISDBHSA-N 1 0 333.439 3.491 50 0 EGAARO Cc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)s1 ZINC000020149576 202033991 /nfs/dbraw/zinc/03/39/91/202033991.db2.gz KQHMPKJXLOTSIT-IBGZPJMESA-N 1 0 344.524 3.168 50 0 EGAARO Clc1cc(Br)ccc1OCCCCN1CC[NH2+]CC1 ZINC000020272491 202036279 /nfs/dbraw/zinc/03/62/79/202036279.db2.gz UQLBURVBRKTGJD-UHFFFAOYSA-N 1 0 347.684 3.167 50 0 EGAARO OCC[C@H]1CN(Cc2cccc3ncccc23)CC[N@@H+]1C1CCCC1 ZINC000020452696 202043167 /nfs/dbraw/zinc/04/31/67/202043167.db2.gz UMTPARRIQBJHLI-IBGZPJMESA-N 1 0 339.483 3.046 50 0 EGAARO CCOc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[NH2+]CC2 ZINC000020494338 202047058 /nfs/dbraw/zinc/04/70/58/202047058.db2.gz CIJJZQMYBCJLNP-LJQANCHMSA-N 1 0 327.380 3.058 50 0 biogenic,in-vitro EGAARO COc1cc(C[NH2+][C@H]2COc3c(cccc3OC)C2)cc(Cl)c1O ZINC000020783295 202055344 /nfs/dbraw/zinc/05/53/44/202055344.db2.gz WKHYREYLAPPXGS-CYBMUJFWSA-N 1 0 349.814 3.156 50 0 EGAARO c1c(C[NH2+]CCN2CCOCC2)c2ccccc2n1Cc1ccccc1 ZINC000023114589 202097842 /nfs/dbraw/zinc/09/78/42/202097842.db2.gz OYSAGCJAWXGMRN-UHFFFAOYSA-N 1 0 349.478 3.111 50 0 EGAARO CCOC(=O)N1CCC([N@@H+]2CCO[C@@H](CC3CCCCC3)C2)CC1 ZINC000023337662 202101877 /nfs/dbraw/zinc/10/18/77/202101877.db2.gz JDAWRWNCKORMIN-SFHVURJKSA-N 1 0 338.492 3.279 50 0 EGAARO CC(C)=CCN1CC[N@H+](Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000023361221 202103032 /nfs/dbraw/zinc/10/30/32/202103032.db2.gz WWDZRJRRTBDIRI-SFHVURJKSA-N 1 0 328.456 3.268 50 0 EGAARO COC(=O)c1sccc1NC(=O)C[N@H+](Cc1ccccc1)C(C)C ZINC000027234362 202152507 /nfs/dbraw/zinc/15/25/07/202152507.db2.gz NUKKRNPKZQTEIX-UHFFFAOYSA-N 1 0 346.452 3.384 50 0 EGAARO Cc1cccc(OCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027582076 202157483 /nfs/dbraw/zinc/15/74/83/202157483.db2.gz OFQMLNZWFKSKHE-QGZVFWFLSA-N 1 0 344.480 3.389 50 0 EGAARO [NH3+]C[C@H]1Cc2cc(-c3ccc4c(c3)OCCC4=O)cc(Cl)c2O1 ZINC000067654722 283524690 /nfs/dbraw/zinc/52/46/90/283524690.db2.gz FNCIDAWKRGIPNY-CYBMUJFWSA-N 1 0 329.783 3.234 50 0 EGAARO Cc1ccsc1C[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000065517647 201155303 /nfs/dbraw/zinc/15/53/03/201155303.db2.gz JTRCRAJLGMVDSQ-UHFFFAOYSA-N 1 0 348.516 3.040 50 0 EGAARO Cc1cccc(NC[C@@H]2CCN(c3ncnc4sccc43)C2)[nH+]1 ZINC000097200993 201382571 /nfs/dbraw/zinc/38/25/71/201382571.db2.gz RBELVFZPGWFCMC-ZDUSSCGKSA-N 1 0 325.441 3.333 50 0 EGAARO Cc1cccc(NC[C@@H]2CCN(c3nccc(C(F)(F)F)n3)C2)[nH+]1 ZINC000097201007 201383252 /nfs/dbraw/zinc/38/32/52/201383252.db2.gz PGVADLCZEDVHHM-LBPRGKRZSA-N 1 0 337.349 3.137 50 0 EGAARO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1csc(-c3ccco3)n1)CC2 ZINC000097199432 201383552 /nfs/dbraw/zinc/38/35/52/201383552.db2.gz YEPIVGSCRUIQSY-GFCCVEGCSA-N 1 0 343.456 3.223 50 0 EGAARO CC(C)(C)[NH2+]C[C@@H](O)c1ccc2c(n1)CO[C@H](c1ccccc1)O2 ZINC000044123067 202518657 /nfs/dbraw/zinc/51/86/57/202518657.db2.gz FTXAZAFAVPUWBX-AEFFLSMTSA-N 1 0 328.412 3.111 50 0 EGAARO CCOc1ccc2ccccc2c1C(=O)NCC1CC[NH+](C)CC1 ZINC000023013490 212342042 /nfs/dbraw/zinc/34/20/42/212342042.db2.gz IPKSSEZQDDSDPI-UHFFFAOYSA-N 1 0 326.440 3.310 50 0 EGAARO CCOc1cc2c(cc1C[N@H+](C)[C@@H](C)Cc1cnccn1)CCC2 ZINC000215039568 241102394 /nfs/dbraw/zinc/10/23/94/241102394.db2.gz WHXXBNFHKHRBJF-HNNXBMFYSA-N 1 0 325.456 3.427 50 0 EGAARO COCc1cc(C[NH+]2CCC(c3n[nH]cc3C)CC2)ccc1OC ZINC000215717512 241141164 /nfs/dbraw/zinc/14/11/64/241141164.db2.gz CHLAHJSPDBKAIV-UHFFFAOYSA-N 1 0 329.444 3.253 50 0 EGAARO CNc1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)cs1 ZINC000215778560 241147876 /nfs/dbraw/zinc/14/78/76/241147876.db2.gz PZUUJRVRTWQSIJ-MRXNPFEDSA-N 1 0 344.484 3.142 50 0 EGAARO COc1cc(CN2CC[C@@H]([NH+](C)C)C2)c(Cl)cc1OC(C)C ZINC000216009546 241158895 /nfs/dbraw/zinc/15/88/95/241158895.db2.gz KPYBYPLZQUFYPQ-CQSZACIVSA-N 1 0 326.868 3.272 50 0 EGAARO CCOCc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccc1OC ZINC000216367289 241186392 /nfs/dbraw/zinc/18/63/92/241186392.db2.gz FBEDPWZOZGAYBF-IBGZPJMESA-N 1 0 332.488 3.292 50 0 EGAARO O=C(CC[NH+]1CCCCCCC1)NC1CCN(c2ccccc2)CC1 ZINC000222948080 241582955 /nfs/dbraw/zinc/58/29/55/241582955.db2.gz JKBMYNITIZYAHU-UHFFFAOYSA-N 1 0 343.515 3.428 50 0 EGAARO Nc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cn1 ZINC000244701252 243060130 /nfs/dbraw/zinc/06/01/30/243060130.db2.gz KCYHVRUZTXNQIN-SFHVURJKSA-N 1 0 338.455 3.011 50 0 EGAARO CN(CCc1nc2cc(Cl)ccc2[nH]1)CC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000243915015 243033635 /nfs/dbraw/zinc/03/36/35/243033635.db2.gz BLNWPKKQFPHNOB-DZGCQCFKSA-N 1 0 332.879 3.175 50 0 EGAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1=O ZINC000244690851 243058073 /nfs/dbraw/zinc/05/80/73/243058073.db2.gz IYBJXPRTYJURNE-CYBMUJFWSA-N 1 0 339.395 3.317 50 0 EGAARO C[C@H](c1cccc(-c2cc3c(cc2C(N)=O)OCO3)c1)[NH+]1CCCC1 ZINC000065422641 202847763 /nfs/dbraw/zinc/84/77/63/202847763.db2.gz YGBBYJBTCSYZMR-CYBMUJFWSA-N 1 0 338.407 3.338 50 0 EGAARO C[C@@H]1C[N@@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C[C@H](C)O1 ZINC000020612357 212154913 /nfs/dbraw/zinc/15/49/13/212154913.db2.gz ATYCRKJZBGDSRF-PCGREHMXSA-N 1 0 347.499 3.410 50 0 biogenic EGAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2cccc3cnccc32)n1 ZINC000067871455 202942300 /nfs/dbraw/zinc/94/23/00/202942300.db2.gz YUIHAPFKZMVDDP-KRWDZBQOSA-N 1 0 347.466 3.437 50 0 EGAARO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3c(F)cccc3F)C2)oc1C ZINC000067884827 202944547 /nfs/dbraw/zinc/94/45/47/202944547.db2.gz JADKHFSLNHJUMR-AWEZNQCLSA-N 1 0 348.393 3.427 50 0 EGAARO Cc1nc(NC2CCCCC2)sc1C(=O)NCC[NH+]1CCCC1 ZINC000071326735 203092285 /nfs/dbraw/zinc/09/22/85/203092285.db2.gz NNWPNVWUULTISK-UHFFFAOYSA-N 1 0 336.505 3.022 50 0 EGAARO C[NH+]1CCC(C(=O)NCCCSCc2ccc(Cl)cc2)CC1 ZINC000071376090 203093534 /nfs/dbraw/zinc/09/35/34/203093534.db2.gz GRCFQPMXYIPITH-UHFFFAOYSA-N 1 0 340.920 3.421 50 0 EGAARO CCC(CC)[NH2+]Cc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071738754 203105003 /nfs/dbraw/zinc/10/50/03/203105003.db2.gz SYSQQOUBEOXBOP-UHFFFAOYSA-N 1 0 331.460 3.267 50 0 EGAARO COc1cc(C)c(-c2nc(CN3CC[C@@H]([NH+](C)C)C3)c(C)o2)cc1C ZINC000071749975 203105939 /nfs/dbraw/zinc/10/59/39/203105939.db2.gz IHZOEXOHQGDGNX-MRXNPFEDSA-N 1 0 343.471 3.411 50 0 EGAARO CC[C@H]1C[N@H+](Cc2ncccc2C)CCC(=O)N1Cc1ccccc1 ZINC000071748137 203107190 /nfs/dbraw/zinc/10/71/90/203107190.db2.gz NILFSHLEMPBRRV-IBGZPJMESA-N 1 0 337.467 3.403 50 0 EGAARO CCCc1oncc1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071759883 203109651 /nfs/dbraw/zinc/10/96/51/203109651.db2.gz BXMITBGNFHFWPN-QGZVFWFLSA-N 1 0 333.476 3.210 50 0 EGAARO CCn1nc(C)c(CN(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000072127256 203165671 /nfs/dbraw/zinc/16/56/71/203165671.db2.gz YGFKIUGWVGVEOS-IBGZPJMESA-N 1 0 326.488 3.008 50 0 EGAARO CCn1nc(CNC(=O)c2cccc([C@@H]3CC[NH2+]C3)c2)c2ccccc21 ZINC000072133800 203166920 /nfs/dbraw/zinc/16/69/20/203166920.db2.gz SXLXIQRSHBESSA-QGZVFWFLSA-N 1 0 348.450 3.063 50 0 EGAARO c1cn(CC2CC[NH+](Cc3ccccc3)CC2)c([C@H]2CCOC2)n1 ZINC000072148110 203171606 /nfs/dbraw/zinc/17/16/06/203171606.db2.gz FUPFPZXCZYOHRX-IBGZPJMESA-N 1 0 325.456 3.299 50 0 EGAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccc2nccnc12 ZINC000072153474 203174182 /nfs/dbraw/zinc/17/41/82/203174182.db2.gz QRBQFTKSHKVKJF-UHFFFAOYSA-N 1 0 329.407 3.448 50 0 EGAARO O[C@@H]1CCC[N@H+](CCCn2ccnc2-c2cc3ccccc3o2)C1 ZINC000072162989 203177300 /nfs/dbraw/zinc/17/73/00/203177300.db2.gz JVHHKNURLDJCJS-MRXNPFEDSA-N 1 0 325.412 3.143 50 0 EGAARO CC(C)c1nc2ccccc2n1CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072165563 203179332 /nfs/dbraw/zinc/17/93/32/203179332.db2.gz VJJZKKMEECNWMC-INIZCTEOSA-N 1 0 342.487 3.102 50 0 EGAARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CC=CC2)Cc2ccccc2C1 ZINC000072173974 203182480 /nfs/dbraw/zinc/18/24/80/203182480.db2.gz SMKFPIVXSOSAMF-UHFFFAOYSA-N 1 0 346.474 3.097 50 0 EGAARO CCN1C[C@]2(CCC[N@H+](CCCC(=O)c3ccccc3)C2)CCC1=O ZINC000072469861 203229800 /nfs/dbraw/zinc/22/98/00/203229800.db2.gz LTGNLWWRYFOUGV-OAQYLSRUSA-N 1 0 342.483 3.374 50 0 EGAARO CC[C@@H](Nc1nc(-c2ccco2)nc2c1CC[NH2+]CC2)c1cccnc1 ZINC000072479873 203232300 /nfs/dbraw/zinc/23/23/00/203232300.db2.gz LUNHQEHLDRKCNN-MRXNPFEDSA-N 1 0 349.438 3.383 50 0 EGAARO CC(C)(O)CCc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000072428249 203222312 /nfs/dbraw/zinc/22/23/12/203222312.db2.gz LSKUJWFCQPEGDV-UHFFFAOYSA-N 1 0 344.499 3.091 50 0 EGAARO CC(C)(O)CCc1ccc(C[N@H+]2Cc3ccccc3[C@H](O)C2)cc1 ZINC000072430768 203223140 /nfs/dbraw/zinc/22/31/40/203223140.db2.gz KKKYOVMHWKABOV-HXUWFJFHSA-N 1 0 325.452 3.439 50 0 EGAARO Cc1ccc2nc(N3CCC([N@@H+]4CCC[C@@H](O)C4)CC3)sc2c1 ZINC000077286902 203377225 /nfs/dbraw/zinc/37/72/25/203377225.db2.gz ZBWYQGVZNNJFKL-OAHLLOKOSA-N 1 0 331.485 3.030 50 0 EGAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000077356691 203384059 /nfs/dbraw/zinc/38/40/59/203384059.db2.gz ZQRNGPYYWPQDPQ-GOSISDBHSA-N 1 0 341.455 3.408 50 0 EGAARO Fc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000077455286 203389700 /nfs/dbraw/zinc/38/97/00/203389700.db2.gz HUCIYZHZHQEYJW-CQSZACIVSA-N 1 0 325.391 3.114 50 0 EGAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)C2CCOCC2)cc1 ZINC000077470089 203390052 /nfs/dbraw/zinc/39/00/52/203390052.db2.gz PDPOOIMSADENPY-LJQANCHMSA-N 1 0 330.472 3.228 50 0 EGAARO COc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)ccc1F ZINC000077504732 203392204 /nfs/dbraw/zinc/39/22/04/203392204.db2.gz OKHMZOSDIAMLTL-FQEVSTJZSA-N 1 0 346.446 3.201 50 0 EGAARO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC12CCC[NH+]1CCC2 ZINC000091677712 203645893 /nfs/dbraw/zinc/64/58/93/203645893.db2.gz UEWXFVLYBAVXGY-MRXNPFEDSA-N 1 0 338.451 3.352 50 0 EGAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000161640806 206361191 /nfs/dbraw/zinc/36/11/91/206361191.db2.gz MFTCNOYOWBNQKK-CQSZACIVSA-N 1 0 342.405 3.342 50 0 EGAARO CC[NH+](CC)C[C@@H]1C[C@H](O)C(C)(C)C[C@@H]1OC(=O)c1ccccc1 ZINC000003188352 284698818 /nfs/dbraw/zinc/69/88/18/284698818.db2.gz CBUCVGWOZZQBHS-BZSNNMDCSA-N 1 0 333.472 3.351 50 0 EGAARO Cc1nccnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000426619987 257961380 /nfs/dbraw/zinc/96/13/80/257961380.db2.gz GBXAOEYDYIKGMP-HXUWFJFHSA-N 1 0 340.446 3.417 50 0 EGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cccc(-c2ccccc2CO)c1 ZINC000426506546 257965675 /nfs/dbraw/zinc/96/56/75/257965675.db2.gz FBVWKWQCLAWGEQ-IBGZPJMESA-N 1 0 338.451 3.060 50 0 EGAARO [NH3+]CCOc1ccc(F)cc1C(=O)N1CCC2(C1)CCCCCC2 ZINC000426421013 257968652 /nfs/dbraw/zinc/96/86/52/257968652.db2.gz BHIQKVWGUJBZCG-UHFFFAOYSA-N 1 0 334.435 3.350 50 0 EGAARO CN(C)c1cccc(-c2cccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)c1 ZINC000299779789 258088819 /nfs/dbraw/zinc/08/88/19/258088819.db2.gz QKGRUZJNGGXARB-INIZCTEOSA-N 1 0 337.467 3.101 50 0 EGAARO COc1ccc(Oc2ccc(NC(=O)N3CC[NH2+][C@@H](C)C3)cc2)cc1 ZINC000299785078 258092469 /nfs/dbraw/zinc/09/24/69/258092469.db2.gz ZFAFJFXFUQOXDC-AWEZNQCLSA-N 1 0 341.411 3.313 50 0 EGAARO Cc1ccccc1-c1cc2c(c(O[C@H]3CCOC3)c1)OCC[NH2+]C2 ZINC000299763423 258079924 /nfs/dbraw/zinc/07/99/24/258079924.db2.gz VMAMFCAEMVJXIP-KRWDZBQOSA-N 1 0 325.408 3.312 50 0 EGAARO O=C(c1ccc(F)c(F)c1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684742 275012450 /nfs/dbraw/zinc/01/24/50/275012450.db2.gz WZHNZSACVOXWBW-QGZVFWFLSA-N 1 0 342.389 3.238 50 0 EGAARO O[C@@H]1Cc2ccccc2C12CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC000072171371 275055136 /nfs/dbraw/zinc/05/51/36/275055136.db2.gz XCHZREUKUSKMDV-LJQANCHMSA-N 1 0 329.390 3.416 50 0 EGAARO Oc1ccc2c(c1)N=C(N1CC[NH2+]CC1)c1cc(Cl)ccc1O2 ZINC000002000902 275061014 /nfs/dbraw/zinc/06/10/14/275061014.db2.gz QDWNOKXUZTYVGO-UHFFFAOYSA-N 1 0 329.787 3.135 50 0 world EGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(OC)cc2C)C1 ZINC000016310232 276320142 /nfs/dbraw/zinc/32/01/42/276320142.db2.gz PLAHEXWVLRMHFU-KRWDZBQOSA-N 1 0 332.488 3.392 50 0 EGAARO C[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000000137180 277115676 /nfs/dbraw/zinc/11/56/76/277115676.db2.gz XXSMSVWLJUDHME-UHFFFAOYSA-N 1 0 328.416 3.249 50 0 EGAARO CN1CC[N@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1c1ccccc1 ZINC000244700961 455275364 /nfs/dbraw/zinc/27/53/64/455275364.db2.gz JXGZWEXVWDXOEC-NRFANRHFSA-N 1 0 332.451 3.361 50 0 EGAARO Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000000255177 452547984 /nfs/dbraw/zinc/54/79/84/452547984.db2.gz ZIMKIUFNXQNOLA-UHFFFAOYSA-N 1 0 341.430 3.285 50 0 EGAARO O=C(c1ccccc1)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000002514713 452701860 /nfs/dbraw/zinc/70/18/60/452701860.db2.gz TWTIXYSEEBALDS-UHFFFAOYSA-N 1 0 337.419 3.257 50 0 EGAARO COc1ccc(CC[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1 ZINC000002734763 452718006 /nfs/dbraw/zinc/71/80/06/452718006.db2.gz PPRXJQFPMFCKPE-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 EGAARO Cc1ccc(N2CC[NH+](CC[C@@H]3NC(=O)c4ccccc43)CC2)cc1C ZINC000003827164 452785401 /nfs/dbraw/zinc/78/54/01/452785401.db2.gz WQEPZBNLBWDIRZ-NRFANRHFSA-N 1 0 349.478 3.300 50 0 in-vivo EGAARO CCc1ccc(OCCOC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000004279159 452797678 /nfs/dbraw/zinc/79/76/78/452797678.db2.gz NHFRKZJOLJSRBO-IBGZPJMESA-N 1 0 335.488 3.270 50 0 EGAARO CCOCCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000004552803 452807828 /nfs/dbraw/zinc/80/78/28/452807828.db2.gz JBGQPNFSNGFRBN-UHFFFAOYSA-N 1 0 338.879 3.095 50 0 EGAARO CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC2=O ZINC000004553935 452808581 /nfs/dbraw/zinc/80/85/81/452808581.db2.gz ONQAYZAARFLCHV-VQTJNVASSA-N 1 0 334.504 3.197 50 0 biogenic EGAARO Cc1nn2c(nc(C)cc2N2CC[NH+](C)CC2)c1-c1ccc(C)cc1 ZINC000005266437 452853605 /nfs/dbraw/zinc/85/36/05/452853605.db2.gz CXEYJEMXETVZPT-UHFFFAOYSA-N 1 0 335.455 3.073 50 0 EGAARO CC[NH+](CC)C[C@@H](O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000006382448 452939125 /nfs/dbraw/zinc/93/91/25/452939125.db2.gz BAPLEKYKGVNOOK-LJQANCHMSA-N 1 0 341.451 3.064 50 0 EGAARO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccccc1C ZINC000006382292 452939638 /nfs/dbraw/zinc/93/96/38/452939638.db2.gz FKCXACFYSSGCBJ-NRFANRHFSA-N 1 0 341.451 3.116 50 0 EGAARO CCOC(=O)C1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000006704821 452974421 /nfs/dbraw/zinc/97/44/21/452974421.db2.gz AAXLLCXUVUWCSJ-UHFFFAOYSA-N 1 0 325.836 3.384 50 0 EGAARO Cc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000010017932 453272703 /nfs/dbraw/zinc/27/27/03/453272703.db2.gz HMMWXMPDRSQTRK-LJQANCHMSA-N 1 0 326.440 3.101 50 0 EGAARO O=C1N(CCc2ccccc2)CCC[C@@]12CC[N@H+](Cc1ccccn1)C2 ZINC000011821744 453334826 /nfs/dbraw/zinc/33/48/26/453334826.db2.gz PUJYZEUSVNRXAF-QFIPXVFZSA-N 1 0 349.478 3.139 50 0 EGAARO O=C(CC[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1)NC1CC1 ZINC000011844390 453335647 /nfs/dbraw/zinc/33/56/47/453335647.db2.gz CWQHCINOBKSFQD-OAHLLOKOSA-N 1 0 325.456 3.439 50 0 EGAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccnc2)C1 ZINC000011937712 453340998 /nfs/dbraw/zinc/34/09/98/453340998.db2.gz CUZYGVILJLAUID-NRFANRHFSA-N 1 0 338.451 3.470 50 0 EGAARO C[NH+](C)CCCOc1ccc(CN(C(=O)C2CCC2)C2CC2)cc1 ZINC000012217879 453350776 /nfs/dbraw/zinc/35/07/76/453350776.db2.gz CKNGWXTXEPUKTO-UHFFFAOYSA-N 1 0 330.472 3.308 50 0 EGAARO C[C@@H](c1ccc(F)cc1)N1C(=O)CC[C@H]1CC[NH2+]Cc1cccnc1 ZINC000012247663 453352315 /nfs/dbraw/zinc/35/23/15/453352315.db2.gz KVTYRQCSIKQAMS-KXBFYZLASA-N 1 0 341.430 3.453 50 0 EGAARO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000012307890 453353706 /nfs/dbraw/zinc/35/37/06/453353706.db2.gz FJGYNCKEEQLOBZ-KRWDZBQOSA-N 1 0 339.439 3.059 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(F)cc2F)CC1 ZINC000012382468 453358678 /nfs/dbraw/zinc/35/86/78/453358678.db2.gz HILUHSUHHLALJI-UHFFFAOYSA-N 1 0 340.414 3.111 50 0 EGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000012588537 453378748 /nfs/dbraw/zinc/37/87/48/453378748.db2.gz ZWIFICYHQZLTJQ-FQEVSTJZSA-N 1 0 346.434 3.475 50 0 EGAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)CC1 ZINC000013326255 453457942 /nfs/dbraw/zinc/45/79/42/453457942.db2.gz POTKKSCMRBOQNN-CQSZACIVSA-N 1 0 338.879 3.406 50 0 EGAARO CC1CC[NH+](CCCNC(=O)c2ccccc2Br)CC1 ZINC000013668873 453479024 /nfs/dbraw/zinc/47/90/24/453479024.db2.gz CDNIOLGWKBBYDP-UHFFFAOYSA-N 1 0 339.277 3.301 50 0 EGAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](C(C)C)CC2 ZINC000014732287 453542502 /nfs/dbraw/zinc/54/25/02/453542502.db2.gz UYZHPFVYCHHSGV-UHFFFAOYSA-N 1 0 337.508 3.196 50 0 EGAARO O=C1C[C@@H]([NH2+]Cc2cccc3cccnc32)CN1Cc1cccc(F)c1 ZINC000014976475 453549968 /nfs/dbraw/zinc/54/99/68/453549968.db2.gz VPKFKYRGRLVHBE-LJQANCHMSA-N 1 0 349.409 3.265 50 0 EGAARO OCCOc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000015078116 453555022 /nfs/dbraw/zinc/55/50/22/453555022.db2.gz ZUXOXUZOLITASO-IBGZPJMESA-N 1 0 326.440 3.134 50 0 EGAARO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016604671 453614602 /nfs/dbraw/zinc/61/46/02/453614602.db2.gz YWPWSILSEYHNHQ-QGZVFWFLSA-N 1 0 338.879 3.486 50 0 EGAARO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027741665 453820109 /nfs/dbraw/zinc/82/01/09/453820109.db2.gz PRNMBVLDVMKBFA-KRWDZBQOSA-N 1 0 344.480 3.253 50 0 EGAARO Cc1ccc(OCc2occc2C(=O)N2CCCC[C@H]([NH3+])C2)cc1 ZINC000082106440 453924263 /nfs/dbraw/zinc/92/42/63/453924263.db2.gz IJTKOSRQPBUYFP-HNNXBMFYSA-N 1 0 328.412 3.120 50 0 EGAARO Cc1cccc(NC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000035598061 453924327 /nfs/dbraw/zinc/92/43/27/453924327.db2.gz QGZPJGDOUBBADP-UHFFFAOYSA-N 1 0 338.455 3.386 50 0 EGAARO COCCC[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccco3)CC2)C1 ZINC000082107828 453924399 /nfs/dbraw/zinc/92/43/99/453924399.db2.gz JLISBOOTTQYWAF-KRWDZBQOSA-N 1 0 348.487 3.157 50 0 EGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)c1C ZINC000082148112 453927196 /nfs/dbraw/zinc/92/71/96/453927196.db2.gz RMFQNYHLMKJFBU-QGZVFWFLSA-N 1 0 339.483 3.353 50 0 EGAARO CC[C@H]1CN(C(=O)c2ccccc2N2CCCC2)CC[N@@H+]1C(C)C ZINC000082160786 453927214 /nfs/dbraw/zinc/92/72/14/453927214.db2.gz DRMULJCRHOFELA-KRWDZBQOSA-N 1 0 329.488 3.232 50 0 EGAARO Cc1noc(C)c1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000067654122 453953316 /nfs/dbraw/zinc/95/33/16/453953316.db2.gz WJSPMKNYDYAANQ-GOSISDBHSA-N 1 0 341.455 3.160 50 0 EGAARO Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2N1CC[NH+](C)CC1 ZINC000041146319 453957831 /nfs/dbraw/zinc/95/78/31/453957831.db2.gz ZCPWAFPDQOUOCP-UHFFFAOYSA-N 1 0 335.455 3.073 50 0 EGAARO COc1cc(C[NH+]2CCC(n3cc(CC(C)C)nn3)CC2)ccc1F ZINC000055042439 453958214 /nfs/dbraw/zinc/95/82/14/453958214.db2.gz HMXMZZMGEFGQDJ-UHFFFAOYSA-N 1 0 346.450 3.461 50 0 EGAARO O=C(NC[C@H]1CC[N@H+](Cc2ccsc2)C1)c1onc2ccccc21 ZINC000067726461 453960525 /nfs/dbraw/zinc/96/05/25/453960525.db2.gz LNQAFJFFIISBET-CYBMUJFWSA-N 1 0 341.436 3.141 50 0 EGAARO COc1ccc(-c2nc(CN3CCC[C@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067740436 453961434 /nfs/dbraw/zinc/96/14/34/453961434.db2.gz 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ZINC000095369654 454198601 /nfs/dbraw/zinc/19/86/01/454198601.db2.gz UBRZGUKQVYKWCV-INIZCTEOSA-N 1 0 345.418 3.361 50 0 EGAARO CCCCn1ccnc1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCCC2)C1 ZINC000095375360 454198958 /nfs/dbraw/zinc/19/89/58/454198958.db2.gz IOJJEDNWFSPMLS-QGZVFWFLSA-N 1 0 346.519 3.264 50 0 EGAARO Cc1c[nH+]ccc1N1CCC[C@@H](c2nccn2Cc2ccccn2)C1 ZINC000095374741 454199052 /nfs/dbraw/zinc/19/90/52/454199052.db2.gz JHZWJWDZTDLZQI-QGZVFWFLSA-N 1 0 333.439 3.414 50 0 EGAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000095381926 454200562 /nfs/dbraw/zinc/20/05/62/454200562.db2.gz MYMWSWGGPRCNSP-SFHVURJKSA-N 1 0 347.478 3.129 50 0 EGAARO Cc1csc(CN(C)C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)n1 ZINC000095379752 454200717 /nfs/dbraw/zinc/20/07/17/454200717.db2.gz ZQXWPZKSLMNJSP-INIZCTEOSA-N 1 0 329.469 3.191 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(C)C)nn1-c1ccccc1 ZINC000095473110 454219943 /nfs/dbraw/zinc/21/99/43/454219943.db2.gz WPTINIYUVHXKRJ-KRWDZBQOSA-N 1 0 340.471 3.210 50 0 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CN(C)[C@H](C[NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1)c1ccco1 ZINC000092004338 454502649 /nfs/dbraw/zinc/50/26/49/454502649.db2.gz FYVKHKQXUSQQRR-OAHLLOKOSA-N 1 0 329.375 3.065 50 0 EGAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)cc[nH+]1 ZINC000092046143 454507739 /nfs/dbraw/zinc/50/77/39/454507739.db2.gz SDXZQENEUQFJFL-SFHVURJKSA-N 1 0 333.439 3.414 50 0 EGAARO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000065365059 454553778 /nfs/dbraw/zinc/55/37/78/454553778.db2.gz WKJHCUABCQIUTR-HNNXBMFYSA-N 1 0 326.893 3.421 50 0 EGAARO CCCn1ncc(CN2CCN(c3cc[nH+]c4ccccc43)CC2)c1C ZINC000065374726 454556529 /nfs/dbraw/zinc/55/65/29/454556529.db2.gz OATZISASXMSRHG-UHFFFAOYSA-N 1 0 349.482 3.472 50 0 EGAARO CCOC(=O)N1CCC([N@H+](C)Cc2ccc3ncccc3c2)CC1 ZINC000065396259 454559216 /nfs/dbraw/zinc/55/92/16/454559216.db2.gz XQUHNSNUQRKEAU-UHFFFAOYSA-N 1 0 327.428 3.288 50 0 EGAARO COC[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2ncc(C)s2)c1 ZINC000065435254 454567338 /nfs/dbraw/zinc/56/73/38/454567338.db2.gz 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ZINC000222258750 456046656 /nfs/dbraw/zinc/04/66/56/456046656.db2.gz SFTGWZFXKBERJZ-INIZCTEOSA-N 1 0 328.456 3.274 50 0 EGAARO C[N@@H+]1CCCC2(CCN(C(=O)c3ccc(Cl)cc3O)CC2)CC1 ZINC000222535857 456047354 /nfs/dbraw/zinc/04/73/54/456047354.db2.gz VXQRRMJUBCWXPH-UHFFFAOYSA-N 1 0 336.863 3.384 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccc(F)cn2)cc1 ZINC000426434610 457830186 /nfs/dbraw/zinc/83/01/86/457830186.db2.gz YMUSDSLZXULYGZ-QGZVFWFLSA-N 1 0 327.403 3.102 50 0 EGAARO Cc1ccc(OCC[NH3+])c(C(=O)N2CCc3ccc(F)cc3[C@@H]2C)c1 ZINC000426442731 457832218 /nfs/dbraw/zinc/83/22/18/457832218.db2.gz VOILPPKYLBGSJV-AWEZNQCLSA-N 1 0 342.414 3.231 50 0 EGAARO CN(Cc1cccc(O)c1)C(=O)N[C@@H](C[NH+]1CCCC1)C(C)(C)C ZINC000426545089 457852478 /nfs/dbraw/zinc/85/24/78/457852478.db2.gz OAOZLMMXOCVTQD-KRWDZBQOSA-N 1 0 333.476 3.044 50 0 EGAARO C[C@@H](c1cccc(-c2ccc(CS(C)(=O)=O)cn2)c1)[NH+]1CCCC1 ZINC000426649535 457871517 /nfs/dbraw/zinc/87/15/17/457871517.db2.gz GZNDYTVALHCAFD-HNNXBMFYSA-N 1 0 344.480 3.450 50 0 EGAARO O=C(N[C@H]1C[NH+]2CCC1CC2)N(Cc1cccnc1)C1CCCCC1 ZINC000426701676 457879954 /nfs/dbraw/zinc/87/99/54/457879954.db2.gz SNMXGJKWPDJYFX-IBGZPJMESA-N 1 0 342.487 3.020 50 0 EGAARO O=C(c1ccoc1)N1CCC[N@H+](CCCOCc2ccccc2)CC1 ZINC000373258497 458444824 /nfs/dbraw/zinc/44/48/24/458444824.db2.gz HNPXRHJARMHVPK-UHFFFAOYSA-N 1 0 342.439 3.034 50 0 EGAARO CC[C@@H]([NH2+]C1CCN(c2ccc(F)cc2)CC1)c1ncnn1CC ZINC000534641483 459340344 /nfs/dbraw/zinc/34/03/44/459340344.db2.gz TZNPPDSTCQKVIQ-QGZVFWFLSA-N 1 0 331.439 3.147 50 0 EGAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CSC12CC3CC(CC(C3)C1)C2 ZINC000584896004 459819882 /nfs/dbraw/zinc/81/98/82/459819882.db2.gz QYXYJVNXTYDGTD-MNLQNLKMSA-N 1 0 336.545 3.287 50 0 EGAARO CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000095510147 519465367 /nfs/dbraw/zinc/46/53/67/519465367.db2.gz KFLDLDRLBFTINV-IBGZPJMESA-N 1 0 348.462 3.065 50 0 EGAARO CCOc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](NC(C)=O)C3)o2)cc1 ZINC000216539521 535692503 /nfs/dbraw/zinc/69/25/03/535692503.db2.gz WXRIWJXCWWODHK-KRWDZBQOSA-N 1 0 342.439 3.446 50 0 EGAARO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[C@H](O)C1 ZINC000244594087 535800263 /nfs/dbraw/zinc/80/02/63/535800263.db2.gz DGFBMEODVQQPBW-VAMGGRTRSA-N 1 0 344.499 3.342 50 0 EGAARO C[NH+](C)C[C@]1(O)CCN(Cc2ccc(SC3CCCCC3)o2)C1 ZINC000216246126 535975901 /nfs/dbraw/zinc/97/59/01/535975901.db2.gz DVYNXEHBTIQPPZ-GOSISDBHSA-N 1 0 338.517 3.203 50 0 EGAARO O=C1NC[C@H]([NH2+]CCC2=CCCCC2)n2nc(-c3ccccc3)cc21 ZINC000169754455 546993198 /nfs/dbraw/zinc/99/31/98/546993198.db2.gz BKGBUAFYRGAMOI-LJQANCHMSA-N 1 0 336.439 3.272 50 0 EGAARO CCc1cc(C[NH+]2CCC([C@H](O)CCc3ccccc3)CC2)on1 ZINC000670435231 548215828 /nfs/dbraw/zinc/21/58/28/548215828.db2.gz QTVAZZCTTBAKIZ-HXUWFJFHSA-N 1 0 328.456 3.443 50 0 EGAARO Cc1nnc([C@H]2CCC[N@@H+](C3CCN(c4cccc(C)c4)CC3)C2)[nH]1 ZINC000670455605 548217795 /nfs/dbraw/zinc/21/77/95/548217795.db2.gz JBJXNQPQSNKRQE-KRWDZBQOSA-N 1 0 339.487 3.270 50 0 EGAARO Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCCCCC2)c(F)c1 ZINC000670472083 548221333 /nfs/dbraw/zinc/22/13/33/548221333.db2.gz JGHBQKPBACRASN-UHFFFAOYSA-N 1 0 342.480 3.069 50 0 EGAARO [NH3+]C[C@@H]1C[C@@H](c2nc(C(c3ccccc3)c3ccccc3)no2)C[C@@H]1O ZINC000685943202 550456310 /nfs/dbraw/zinc/45/63/10/550456310.db2.gz XOWHVOGNDAFXRT-SQNIBIBYSA-N 1 0 349.434 3.063 50 0 EGAARO CCc1nc(C)c(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)[nH]1 ZINC000015061853 1291145546 /nfs/dbraw/zinc/14/55/46/1291145546.db2.gz HOZUYAOKEAZSFZ-GFCCVEGCSA-N 1 0 336.443 3.292 50 0 EGAARO c1ccc2c(c1)CC(N1CCC[C@H]([NH2+]C3CSCCSC3)C1)C2 ZINC000020996827 1291195533 /nfs/dbraw/zinc/19/55/33/1291195533.db2.gz IEEMEYDOBSAWGF-KRWDZBQOSA-N 1 0 348.581 3.056 50 0 EGAARO O=C(NCc1cccc(F)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000072171250 1292276607 /nfs/dbraw/zinc/27/66/07/1292276607.db2.gz XFYQUIIVGIXKFZ-GOSISDBHSA-N 1 0 333.451 3.376 50 0 EGAARO O=C(C[NH+]1CCCCCC1)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000827884192 1292393650 /nfs/dbraw/zinc/39/36/50/1292393650.db2.gz SSENUUDAWJEMQH-QGZVFWFLSA-N 1 0 336.501 3.132 50 0 EGAARO O=C(COCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013127 1292417921 /nfs/dbraw/zinc/41/79/21/1292417921.db2.gz SXDOCFVFVJGUML-QGZVFWFLSA-N 1 0 344.480 3.046 50 0 EGAARO OC1(c2ccccn2)CC[NH+](Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000828605318 1292482334 /nfs/dbraw/zinc/48/23/34/1292482334.db2.gz DSMYSFGVARFDHD-QGZVFWFLSA-N 1 0 342.439 3.400 50 0 EGAARO c1coc(C[N@@H+]2CCC[C@@H](c3nnc(Cc4cccs4)[nH]3)C2)c1 ZINC000829076427 1292536342 /nfs/dbraw/zinc/53/63/42/1292536342.db2.gz JRVZHMQNHMJZCD-CYBMUJFWSA-N 1 0 328.441 3.430 50 0 EGAARO C[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256572 1298098820 /nfs/dbraw/zinc/09/88/20/1298098820.db2.gz KAEBKFIOXHOQHY-HIFRSBDPSA-N 1 0 348.443 3.045 50 0 EGAARO Cc1ccc(-c2nn3c(nnc3[C@@H]3CCC[N@@H+](C)C3)s2)cc1C ZINC000823771481 1320205831 /nfs/dbraw/zinc/20/58/31/1320205831.db2.gz SCNCMHZJGWWRMG-CQSZACIVSA-N 1 0 327.457 3.279 50 0 EGAARO 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[NH3+]CCCOc1ccc(C(=O)NCc2cccc(F)c2)cc1Cl ZINC000299782736 258091484 /nfs/dbraw/zinc/09/14/84/258091484.db2.gz DUCYOJSHBKLCJV-UHFFFAOYSA-N 1 0 336.794 3.137 50 0 EGAARO O=C(NCc1ccc(O)cc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299786635 258093855 /nfs/dbraw/zinc/09/38/55/258093855.db2.gz XFGAMMFGTHXUTH-ZCNNSNEGSA-N 1 0 336.435 3.234 50 0 EGAARO CSCC[NH+]1CCC(NC(=O)Nc2ccc3cccnc3c2)CC1 ZINC000299759219 258076919 /nfs/dbraw/zinc/07/69/19/258076919.db2.gz CFPAYBWYFUFJGZ-UHFFFAOYSA-N 1 0 344.484 3.184 50 0 EGAARO c1ccc(N2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000003801104 135661081 /nfs/dbraw/zinc/66/10/81/135661081.db2.gz VUSNBQDZGKZEDL-UHFFFAOYSA-N 1 0 340.423 3.006 50 0 in-vitro EGAARO COc1c2c(cc3c1[C@H](n1ccc4ccccc41)[N@H+](C)CC3)OCO2 ZINC000020111826 286188529 /nfs/dbraw/zinc/18/85/29/286188529.db2.gz GCFFMCJNDXSLLS-FQEVSTJZSA-N 1 0 336.391 3.413 50 0 biogenic EGAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+](C)CCc2cnn(C)c2)n1 ZINC000215921811 301234632 /nfs/dbraw/zinc/23/46/32/301234632.db2.gz INIISAGSGPPPEO-UHFFFAOYSA-N 1 0 341.434 3.036 50 0 EGAARO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)cnn1-c1ccc(Cl)cc1 ZINC000000147253 452521818 /nfs/dbraw/zinc/52/18/18/452521818.db2.gz YQVYOHSCPLWRER-UHFFFAOYSA-N 1 0 346.862 3.000 50 0 EGAARO NC(=O)CCOC1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000000170167 452525379 /nfs/dbraw/zinc/52/53/79/452525379.db2.gz BLJBQXLWXTZHMI-UHFFFAOYSA-N 1 0 338.451 3.132 50 0 EGAARO COc1cccc(OC)c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000000203788 452535539 /nfs/dbraw/zinc/53/55/39/452535539.db2.gz MAAIIVIYJZJRBX-CVEARBPZSA-N 1 0 346.471 3.040 50 0 EGAARO COc1ccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)cc1OC ZINC000000299614 452556281 /nfs/dbraw/zinc/55/62/81/452556281.db2.gz OIAHZPBCVUCKOT-UHFFFAOYSA-N 1 0 348.487 3.078 50 0 EGAARO COc1cc(OC)cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000000317005 452562511 /nfs/dbraw/zinc/56/25/11/452562511.db2.gz YHLHSZIERREBIT-UHFFFAOYSA-N 1 0 346.471 3.040 50 0 EGAARO CCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 ZINC000002177954 452688259 /nfs/dbraw/zinc/68/82/59/452688259.db2.gz FSLHAVKKVADAHE-UHFFFAOYSA-N 1 0 336.476 3.269 50 0 EGAARO CC[NH+](CC)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002459128 452697880 /nfs/dbraw/zinc/69/78/80/452697880.db2.gz VQXHXCBYFGPRMT-CVEARBPZSA-N 1 0 344.908 3.271 50 0 EGAARO CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccco3)CC2)cc1 ZINC000002828188 452728307 /nfs/dbraw/zinc/72/83/07/452728307.db2.gz VEIYNIFFLIUULF-UHFFFAOYSA-N 1 0 342.439 3.207 50 0 EGAARO COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(F)c1 ZINC000002966160 452736802 /nfs/dbraw/zinc/73/68/02/452736802.db2.gz SSXURHLRYLAVCV-FQEVSTJZSA-N 1 0 341.406 3.095 50 0 EGAARO COc1ccccc1[N+]1=C2CCCCCN2[C@@](O)(c2ccccc2)C1 ZINC000002974495 452738184 /nfs/dbraw/zinc/73/81/84/452738184.db2.gz VJYHANIIYPULAK-NRFANRHFSA-N 1 0 337.443 3.346 50 0 EGAARO COCCC[NH2+]CCOc1c(Cl)cc(C)cc1Br ZINC000003000981 452740156 /nfs/dbraw/zinc/74/01/56/452740156.db2.gz TYVGRRMOZKPJCW-UHFFFAOYSA-N 1 0 336.657 3.416 50 0 EGAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)o1 ZINC000004549599 452809073 /nfs/dbraw/zinc/80/90/73/452809073.db2.gz ATMSLMYXXGDIPI-UHFFFAOYSA-N 1 0 326.440 3.159 50 0 EGAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCCCCC3)C2=O)cc1 ZINC000004648958 452810409 /nfs/dbraw/zinc/81/04/09/452810409.db2.gz GXCRSALQYRFQRB-QGZVFWFLSA-N 1 0 330.428 3.030 50 0 EGAARO Cc1ccc(N2CC[NH+](CC[C@H]3NC(=O)c4ccccc43)CC2)cc1C ZINC000004632541 452810578 /nfs/dbraw/zinc/81/05/78/452810578.db2.gz WQEPZBNLBWDIRZ-OAQYLSRUSA-N 1 0 349.478 3.300 50 0 in-vivo EGAARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000004749970 452816986 /nfs/dbraw/zinc/81/69/86/452816986.db2.gz VWTJHCNAEQPSPB-HOTGVXAUSA-N 1 0 345.439 3.106 50 0 EGAARO C[C@@H](O)C[NH2+]CCCCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000004832058 452819483 /nfs/dbraw/zinc/81/94/83/452819483.db2.gz GAQBWZPFEZWNFA-MRXNPFEDSA-N 1 0 327.424 3.047 50 0 EGAARO O=C1C[C@H]([NH2+]CCc2ccccc2)C(=O)N1c1cccc2ccccc21 ZINC000004900813 452826482 /nfs/dbraw/zinc/82/64/82/452826482.db2.gz KOQFPMAZYFGEQN-IBGZPJMESA-N 1 0 344.414 3.304 50 0 EGAARO Cc1c(C)n(-c2cc[nH+]cc2)c2ncnc(NCCCn3ccnc3)c12 ZINC000005207272 452846079 /nfs/dbraw/zinc/84/60/79/452846079.db2.gz XHJQICDVZQZNMW-UHFFFAOYSA-N 1 0 347.426 3.131 50 0 EGAARO CC[NH+]1CCN(c2c(C)c(C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000005307543 452856974 /nfs/dbraw/zinc/85/69/74/452856974.db2.gz UDXHGSMKFNCAIX-UHFFFAOYSA-N 1 0 335.455 3.155 50 0 EGAARO C(=C/c1ccccc1)\C[NH2+]CCSc1nnnn1-c1ccccc1 ZINC000006746686 452982386 /nfs/dbraw/zinc/98/23/86/452982386.db2.gz HMUNARJHOFUDAM-JXMROGBWSA-N 1 0 337.452 3.057 50 0 EGAARO Clc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000006755325 452983646 /nfs/dbraw/zinc/98/36/46/452983646.db2.gz OSAHCLKONOAXCK-UHFFFAOYSA-N 1 0 345.859 3.198 50 0 EGAARO Cc1ccccc1[C@@]1(CC(=O)NCCC[NH+](C)C)CCOC(C)(C)C1 ZINC000009575682 453257394 /nfs/dbraw/zinc/25/73/94/453257394.db2.gz DGFUXLKLKLFGKM-OAQYLSRUSA-N 1 0 346.515 3.280 50 0 EGAARO CCc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cn1 ZINC000011753547 453332740 /nfs/dbraw/zinc/33/27/40/453332740.db2.gz CZZUOQAUFGREKE-FQEVSTJZSA-N 1 0 328.504 3.127 50 0 EGAARO O=C(CCc1ccco1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012203556 453348983 /nfs/dbraw/zinc/34/89/83/453348983.db2.gz HPJQFRGJHTUXGU-GOSISDBHSA-N 1 0 326.440 3.036 50 0 EGAARO CN(C)c1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000012303959 453353513 /nfs/dbraw/zinc/35/35/13/453353513.db2.gz BLYOATARNXFDNH-OAQYLSRUSA-N 1 0 341.499 3.091 50 0 EGAARO COc1cccc(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000012315241 453354484 /nfs/dbraw/zinc/35/44/84/453354484.db2.gz ZNVYBIUCODJGTA-LJQANCHMSA-N 1 0 344.499 3.399 50 0 EGAARO COCc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)o1 ZINC000012592704 453379510 /nfs/dbraw/zinc/37/95/10/453379510.db2.gz XIEVFWQSFRQWOR-FQEVSTJZSA-N 1 0 329.440 3.243 50 0 EGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]C3CCCC3)C2=O)cc1 ZINC000012754032 453399291 /nfs/dbraw/zinc/39/92/91/453399291.db2.gz UQMXNBFCPAWXIK-OAQYLSRUSA-N 1 0 344.499 3.196 50 0 EGAARO C[NH+]1CCN(CCOCCOc2c(Cl)ccc3ccccc32)CC1 ZINC000022937508 453702863 /nfs/dbraw/zinc/70/28/63/453702863.db2.gz MEFWDDMDNDRGHX-UHFFFAOYSA-N 1 0 348.874 3.136 50 0 EGAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000053534966 453885453 /nfs/dbraw/zinc/88/54/53/453885453.db2.gz ZDBCJAPVUACTPV-SFHVURJKSA-N 1 0 339.439 3.184 50 0 EGAARO Cc1ncsc1CCC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000082108776 453924785 /nfs/dbraw/zinc/92/47/85/453924785.db2.gz CJRVLMISBKKASY-UHFFFAOYSA-N 1 0 349.525 3.226 50 0 EGAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(N)=O)CC1 ZINC000067447199 453932114 /nfs/dbraw/zinc/93/21/14/453932114.db2.gz IZYFAXKATWUAKM-UHFFFAOYSA-N 1 0 333.819 3.001 50 0 EGAARO CCCn1cnnc1C[NH2+]C1CCN(c2cccc(C)c2C)CC1 ZINC000067458052 453932798 /nfs/dbraw/zinc/93/27/98/453932798.db2.gz XNSODKYZTFANGM-UHFFFAOYSA-N 1 0 327.476 3.064 50 0 EGAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)Cc2cccc3cccnc32)n1 ZINC000067713892 453960023 /nfs/dbraw/zinc/96/00/23/453960023.db2.gz JYCUGQXUTWVRQC-UHFFFAOYSA-N 1 0 347.466 3.437 50 0 EGAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@H](CNC(=O)c2ccoc2C)C1 ZINC000067741622 453961187 /nfs/dbraw/zinc/96/11/87/453961187.db2.gz IISGPPZKLWABJV-HFQYIWAZSA-N 1 0 328.412 3.336 50 0 EGAARO O=C(NC[C@H]1CC[N@@H+](CCC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000067769994 453964840 /nfs/dbraw/zinc/96/48/40/453964840.db2.gz ZCEXYVWMGFLEJS-GFCCVEGCSA-N 1 0 340.345 3.437 50 0 EGAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)c1ccc2cc[nH]c2c1 ZINC000067851018 453972637 /nfs/dbraw/zinc/97/26/37/453972637.db2.gz VHPWEHZIDDRIKG-OAHLLOKOSA-N 1 0 337.423 3.403 50 0 EGAARO CCC[C@@H](Nc1nc(N(C)C)nc2c1CC[NH2+]C2)c1cccs1 ZINC000067872292 453975169 /nfs/dbraw/zinc/97/51/69/453975169.db2.gz DNKKHQDQUMYFPO-CYBMUJFWSA-N 1 0 331.489 3.203 50 0 EGAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1c(C)nn(C)c1Cl ZINC000055384255 453980076 /nfs/dbraw/zinc/98/00/76/453980076.db2.gz VTNWRZQBPHTVQB-UHFFFAOYSA-N 1 0 340.924 3.316 50 0 EGAARO COc1ccc(OC)c2c(C)cc(O[C@@]34CC[N@H+](C3)CCC4)nc12 ZINC000067921951 453980832 /nfs/dbraw/zinc/98/08/32/453980832.db2.gz IPZGKDMNTPJQLU-IBGZPJMESA-N 1 0 328.412 3.178 50 0 EGAARO Cc1ncc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000067954712 453983952 /nfs/dbraw/zinc/98/39/52/453983952.db2.gz DPPYLUPKXDIZNG-LEWJYISDSA-N 1 0 333.435 3.289 50 0 EGAARO CN(Cc1ccccc1C(F)(F)F)C(=O)NCC(C)(C)[NH+](C)C ZINC000045563289 454167274 /nfs/dbraw/zinc/16/72/74/454167274.db2.gz CFIFSEXJPFIJHO-UHFFFAOYSA-N 1 0 331.382 3.187 50 0 EGAARO CC[N@@H+]1CCC[C@H](CNC(=O)CCc2nc3ccccc3s2)C1 ZINC000058268324 454176032 /nfs/dbraw/zinc/17/60/32/454176032.db2.gz UQVMVNWCZBFDGL-CQSZACIVSA-N 1 0 331.485 3.077 50 0 EGAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2cc(-c3cccc(F)c3)no2)C1 ZINC000095357905 454197729 /nfs/dbraw/zinc/19/77/29/454197729.db2.gz RZNQVJHGOXMKHF-CQSZACIVSA-N 1 0 345.418 3.219 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(N2CCCC2)c1 ZINC000095377719 454199232 /nfs/dbraw/zinc/19/92/32/454199232.db2.gz FLLMMIWNSZPZMU-GOSISDBHSA-N 1 0 329.488 3.168 50 0 EGAARO CCc1nc(CC[NH2+]Cc2cc(=O)c3cc(F)ccc3[nH]2)cs1 ZINC000095379825 454200341 /nfs/dbraw/zinc/20/03/41/454200341.db2.gz SFJMSVZOYBETDT-UHFFFAOYSA-N 1 0 331.416 3.018 50 0 EGAARO CNC(=O)C[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072144088 454273117 /nfs/dbraw/zinc/27/31/17/454273117.db2.gz QDGZTTQWSDERSW-CYBMUJFWSA-N 1 0 328.378 3.096 50 0 EGAARO C=Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 ZINC000091412244 454433074 /nfs/dbraw/zinc/43/30/74/454433074.db2.gz ZVPBKGUZACTPNR-WOJBJXKFSA-N 1 0 347.462 3.461 50 0 EGAARO CCC[NH+]1CCC(CC(=O)N[C@H](c2cccnc2)C(F)(F)F)CC1 ZINC000097394188 454436315 /nfs/dbraw/zinc/43/63/15/454436315.db2.gz DQAKBOGSPQCKHS-MRXNPFEDSA-N 1 0 343.393 3.313 50 0 EGAARO O=C(CC(F)(F)F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091468469 454439064 /nfs/dbraw/zinc/43/90/64/454439064.db2.gz YITVEZARBMUGRP-LSDHHAIUSA-N 1 0 326.362 3.062 50 0 EGAARO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000091505562 454443452 /nfs/dbraw/zinc/44/34/52/454443452.db2.gz PAUAIYSCKONVNF-UHFFFAOYSA-N 1 0 338.455 3.167 50 0 EGAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000091586984 454447151 /nfs/dbraw/zinc/44/71/51/454447151.db2.gz PGKRNAPXXVWBIK-UHFFFAOYSA-N 1 0 348.462 3.067 50 0 EGAARO CC(C)[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC000091587108 454447874 /nfs/dbraw/zinc/44/78/74/454447874.db2.gz HPLOLHHGNUZSNV-IBGZPJMESA-N 1 0 345.531 3.264 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)NC[C@H]1CCCC[N@H+]1C)c(C)ccc2C ZINC000091635456 454454278 /nfs/dbraw/zinc/45/42/78/454454278.db2.gz PRHHSQAXYFPQOY-MRXNPFEDSA-N 1 0 327.472 3.236 50 0 EGAARO COc1ccc2c(C)c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3[NH3+])oc2c1 ZINC000091664008 454454497 /nfs/dbraw/zinc/45/44/97/454454497.db2.gz PNSFOJZDJCOBJZ-WMZOPIPTSA-N 1 0 336.391 3.104 50 0 EGAARO Cc1ccc2nccc(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)c2c1 ZINC000091706675 454460609 /nfs/dbraw/zinc/46/06/09/454460609.db2.gz OGSJDSIDTJINFJ-QZTJIDSGSA-N 1 0 349.478 3.490 50 0 EGAARO COc1cccc(CC2(CNC(=O)OC(C)(C)C)CC[NH2+]CC2)c1 ZINC000098213782 454463564 /nfs/dbraw/zinc/46/35/64/454463564.db2.gz VYPSQDQOYLZIGV-UHFFFAOYSA-N 1 0 334.460 3.132 50 0 EGAARO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2CCc2ccccc2)C1 ZINC000091736231 454464358 /nfs/dbraw/zinc/46/43/58/454464358.db2.gz YUPDSQHQPGTONH-VQTJNVASSA-N 1 0 339.483 3.430 50 0 EGAARO O=C1CCC2(CC[NH+](Cc3cccc(O)c3)CC2)CN1CC1CC1 ZINC000091997976 454501525 /nfs/dbraw/zinc/50/15/25/454501525.db2.gz QIKLDIVJEMMRBN-UHFFFAOYSA-N 1 0 328.456 3.007 50 0 EGAARO C[C@H](c1ccc(-c2cccc(-n3cnnc3)c2)cc1)[NH+]1CCOCC1 ZINC000065375467 454556246 /nfs/dbraw/zinc/55/62/46/454556246.db2.gz XOCIKBWSRUIPGA-MRXNPFEDSA-N 1 0 334.423 3.328 50 0 EGAARO OCc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)o1 ZINC000065404671 454559929 /nfs/dbraw/zinc/55/99/29/454559929.db2.gz QDBDBNIRMPUGLQ-OAHLLOKOSA-N 1 0 339.395 3.202 50 0 EGAARO CCN(c1ncnc2sc3c(c21)CC[NH2+]C3)[C@@H]1CCOC(C)(C)C1 ZINC000065397358 454560321 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CC[NH+](CC)CCCNC(=O)c1ccc(-c2ccc(F)cn2)cc1 ZINC000426477759 457839182 /nfs/dbraw/zinc/83/91/82/457839182.db2.gz PKZSSOUKZSDOSZ-UHFFFAOYSA-N 1 0 329.419 3.349 50 0 EGAARO CCN(CC[NH+](C)C)C(=O)c1ccc(-c2cccc(N(C)C)c2)cc1 ZINC000426613590 457862279 /nfs/dbraw/zinc/86/22/79/457862279.db2.gz HJRJKQSXVLZZCJ-UHFFFAOYSA-N 1 0 339.483 3.443 50 0 EGAARO CO[C@]12CC[N@H+](Cc3ccncc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426632931 457866440 /nfs/dbraw/zinc/86/64/40/457866440.db2.gz UVUOLDGJDRGVHW-CMKODMSKSA-N 1 0 339.439 3.068 50 0 EGAARO O=C(NCC[NH+]1CCCC1)c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000426652827 457871895 /nfs/dbraw/zinc/87/18/95/457871895.db2.gz FFYIEECLLFCLGN-UHFFFAOYSA-N 1 0 336.435 3.114 50 0 EGAARO CCCn1ncc(C(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)c1C ZINC000534582504 459335137 /nfs/dbraw/zinc/33/51/37/459335137.db2.gz DHYVENGETNBFDU-SFHVURJKSA-N 1 0 328.460 3.024 50 0 EGAARO Cc1ccc([C@H](NC(=O)N2CCC[N@@H+](C)CC2)c2cccs2)cc1 ZINC000534584908 459335645 /nfs/dbraw/zinc/33/56/45/459335645.db2.gz UXTRMEBNNWEIGG-SFHVURJKSA-N 1 0 343.496 3.493 50 0 EGAARO COc1ccccc1-c1cc(C[NH2+][C@H](C)Cn2nc(C)cc2C)on1 ZINC000534629837 459338649 /nfs/dbraw/zinc/33/86/49/459338649.db2.gz DMVHXIPBXRTFAC-CQSZACIVSA-N 1 0 340.427 3.342 50 0 EGAARO CC[C@@H](CNC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)[N@H+](C)CC ZINC000534646457 459342030 /nfs/dbraw/zinc/34/20/30/459342030.db2.gz WSAUSMCQAOZDJQ-INIZCTEOSA-N 1 0 334.439 3.179 50 0 EGAARO [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(SCc3ccco3)cc2)C1 ZINC000299774238 527216303 /nfs/dbraw/zinc/21/63/03/527216303.db2.gz APMWJYJKGWLJSY-ZDUSSCGKSA-N 1 0 331.441 3.384 50 0 EGAARO C[NH+](C)[C@H]1CCCN(Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000215314701 536137695 /nfs/dbraw/zinc/13/76/95/536137695.db2.gz GOLAQJGLGAZSHF-SFHVURJKSA-N 1 0 342.512 3.295 50 0 EGAARO COc1cc(C)sc1C(=O)N[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000215558222 536708934 /nfs/dbraw/zinc/70/89/34/536708934.db2.gz XXRYTMXSPXAPLS-CYBMUJFWSA-N 1 0 344.480 3.242 50 0 EGAARO COc1cccc2[nH]c(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc21 ZINC000252522892 536924077 /nfs/dbraw/zinc/92/40/77/536924077.db2.gz BJBIPMBBRIDQLP-KSSFIOAISA-N 1 0 341.455 3.171 50 0 EGAARO C[N@@H+]1CCC[C@@H](c2nc(Cc3cccnc3)nn2Cc2ccccc2)C1 ZINC000670444693 548215353 /nfs/dbraw/zinc/21/53/53/548215353.db2.gz GKAOMHSVRAOGAX-LJQANCHMSA-N 1 0 347.466 3.121 50 0 EGAARO C[C@H]([NH3+])[C@H]1COc2c(Br)cc(Br)cc2C1 ZINC000675064355 564112399 /nfs/dbraw/zinc/11/23/99/564112399.db2.gz YKEIQQYLTYIBNG-POYBYMJQSA-N 1 0 335.039 3.110 50 0 EGAARO Cc1nc[nH]c1C[NH+]1CCC(n2cc(-c3ccc(C)cc3)nn2)CC1 ZINC000023251522 1291232057 /nfs/dbraw/zinc/23/20/57/1291232057.db2.gz SVXSEYRPFWMMQV-UHFFFAOYSA-N 1 0 336.443 3.122 50 0 EGAARO C[NH+]1CCC(c2nccn2[C@@H](Cn2ccnc2)c2ccccc2)CC1 ZINC000071419443 1292267893 /nfs/dbraw/zinc/26/78/93/1292267893.db2.gz AIIOEJYMRJHFOQ-IBGZPJMESA-N 1 0 335.455 3.178 50 0 EGAARO Cc1cccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)n1 ZINC000823764833 1320204290 /nfs/dbraw/zinc/20/42/90/1320204290.db2.gz JYOMHNMMEAJFCZ-UHFFFAOYSA-N 1 0 325.412 3.115 50 0 EGAARO Cc1cc(N[C@@H]2COCC[C@H]2OCc2ccccn2)c2ccccc2[nH+]1 ZINC000825138878 1320314388 /nfs/dbraw/zinc/31/43/88/1320314388.db2.gz WQGBAQSYTNKSJG-NHCUHLMSSA-N 1 0 349.434 3.146 50 0 EGAARO c1coc(-c2ncc(C[NH2+]CCOc3cccc4cccnc43)cn2)c1 ZINC000952959805 1334624954 /nfs/dbraw/zinc/62/49/54/1334624954.db2.gz OXEHVCBREQAUPS-UHFFFAOYSA-N 1 0 346.390 3.453 50 0 EGAARO Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C[NH+]3CCCC3)o2)on1 ZINC000952968865 1334627291 /nfs/dbraw/zinc/62/72/91/1334627291.db2.gz PYWNLTMQEWZTTC-HNNXBMFYSA-N 1 0 329.400 3.149 50 0 EGAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000952972931 1334627870 /nfs/dbraw/zinc/62/78/70/1334627870.db2.gz WSDHFNVRBSVRGQ-UHFFFAOYSA-N 1 0 341.434 3.416 50 0 EGAARO [NH3+][C@H]1CC[C@@H](NC(=O)C[C@@H](Cc2ccccc2)c2ccco2)CC1 ZINC000952991870 1334631916 /nfs/dbraw/zinc/63/19/16/1334631916.db2.gz UHZJMWGNSXYFRA-KURKYZTESA-N 1 0 326.440 3.382 50 0 EGAARO Cc1cc2cc(NC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)ccc2o1 ZINC000952989848 1334632136 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Cc1nc(-c2ccc(C[NH+]3CCC(C)CC3)o2)n([C@@H]2CCOC2)n1 ZINC001772819599 1441417803 /nfs/dbraw/zinc/41/78/03/1441417803.db2.gz PRWPKLHRJPDAKJ-OAHLLOKOSA-N 1 0 330.432 3.040 50 0 EGAARO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCCCCC1 ZINC000004279513 210159881 /nfs/dbraw/zinc/15/98/81/210159881.db2.gz DRSLYXYFHUWXQJ-AWEZNQCLSA-N 1 0 328.250 3.065 50 0 EGAARO COc1cccc(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000012315242 201838379 /nfs/dbraw/zinc/83/83/79/201838379.db2.gz ZNVYBIUCODJGTA-IBGZPJMESA-N 1 0 344.499 3.399 50 0 EGAARO c1ccc(CCC[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019634716 202015523 /nfs/dbraw/zinc/01/55/23/202015523.db2.gz AJOIKENQPVMVTI-UHFFFAOYSA-N 1 0 338.451 3.166 50 0 EGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1cccs1 ZINC000019796720 202020633 /nfs/dbraw/zinc/02/06/33/202020633.db2.gz ARGHNXHQAXMLBZ-HNNXBMFYSA-N 1 0 341.436 3.436 50 0 EGAARO COc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)c(OC)c1 ZINC000019809160 202022613 /nfs/dbraw/zinc/02/26/13/202022613.db2.gz 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CN(C(=O)c1cccnc1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014973653 453549459 /nfs/dbraw/zinc/54/94/59/453549459.db2.gz PTVWWVDBZGGIID-HXUWFJFHSA-N 1 0 337.467 3.251 50 0 EGAARO CCN1C[C@H](C[N@H+](C)Cc2nc(-c3ccc(F)cc3)oc2C)CC1=O ZINC000014961084 453549485 /nfs/dbraw/zinc/54/94/85/453549485.db2.gz ZDTIMGZNVIKBIB-AWEZNQCLSA-N 1 0 345.418 3.089 50 0 EGAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc(C)cc2OC)C1 ZINC000016527157 453610680 /nfs/dbraw/zinc/61/06/80/453610680.db2.gz DPEQRCTYWSLJKX-MRXNPFEDSA-N 1 0 335.444 3.048 50 0 EGAARO COc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000019237228 453655333 /nfs/dbraw/zinc/65/53/33/453655333.db2.gz UNTAXTSZGDGXBB-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 biogenic EGAARO Cc1ccc(SC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020384891 453664954 /nfs/dbraw/zinc/66/49/54/453664954.db2.gz KVBRPRFWNQJPTN-IBGZPJMESA-N 1 0 342.508 3.270 50 0 EGAARO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000022892169 453700976 /nfs/dbraw/zinc/70/09/76/453700976.db2.gz PLXCWJYONICORG-IBGZPJMESA-N 1 0 333.907 3.479 50 0 EGAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000082096567 453923153 /nfs/dbraw/zinc/92/31/53/453923153.db2.gz IQDMBABFZJZQTE-GFCCVEGCSA-N 1 0 333.819 3.182 50 0 EGAARO Cc1ccsc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082087692 453923221 /nfs/dbraw/zinc/92/32/21/453923221.db2.gz SXLGOMQEOAQCJH-UHFFFAOYSA-N 1 0 327.453 3.455 50 0 EGAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](CC(C)(C)C)CC1 ZINC000082091158 453923288 /nfs/dbraw/zinc/92/32/88/453923288.db2.gz YFOFJPRTIKNZDW-UHFFFAOYSA-N 1 0 333.524 3.119 50 0 EGAARO Clc1cnn(CC[NH+]2CCC(c3nccn3CC3CC3)CC2)c1 ZINC000082138492 453926368 /nfs/dbraw/zinc/92/63/68/453926368.db2.gz DRIIOZDOJJCCCL-UHFFFAOYSA-N 1 0 333.867 3.023 50 0 EGAARO CCC(CC)C[N@@H+]1CCN(Cc2cccc(OC)c2)[C@H](CCO)C1 ZINC000039406299 453943681 /nfs/dbraw/zinc/94/36/81/453943681.db2.gz CFJIUTNGJIBCIZ-LJQANCHMSA-N 1 0 334.504 3.000 50 0 EGAARO Cc1cc(N(C)CC2CC[NH+](CCO)CC2)nc2cc(Cl)ccc12 ZINC000055120254 453964959 /nfs/dbraw/zinc/96/49/59/453964959.db2.gz ZZDNECGZNHXTKD-UHFFFAOYSA-N 1 0 347.890 3.337 50 0 EGAARO CCCn1ncc(CN(CC[NH+](C)C)Cc2ccccc2C)c1C ZINC000055393059 453980524 /nfs/dbraw/zinc/98/05/24/453980524.db2.gz HNOCPJLCGPLATR-UHFFFAOYSA-N 1 0 328.504 3.474 50 0 EGAARO O=C(CCCC(=O)N1CCCC2(CC[NH2+]CC2)CC1)c1ccccc1 ZINC000067967933 453984788 /nfs/dbraw/zinc/98/47/88/453984788.db2.gz AEYGMUYUQRQVNE-UHFFFAOYSA-N 1 0 342.483 3.422 50 0 EGAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCn2cccn2)cc1 ZINC000077470711 454109748 /nfs/dbraw/zinc/10/97/48/454109748.db2.gz HOKBALAZQPJBKK-LJQANCHMSA-N 1 0 340.471 3.089 50 0 EGAARO CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095366639 454196931 /nfs/dbraw/zinc/19/69/31/454196931.db2.gz IUSHAKVRHIXTOZ-QGZVFWFLSA-N 1 0 338.455 3.026 50 0 EGAARO Cc1ncsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095362000 454196980 /nfs/dbraw/zinc/19/69/80/454196980.db2.gz BQJSTBSMGBLPKO-DLBZAZTESA-N 1 0 341.480 3.188 50 0 EGAARO COc1cccc([C@H]2CN(c3nccs3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095361000 454197263 /nfs/dbraw/zinc/19/72/63/454197263.db2.gz ASYSLPMBPCYBFD-KZNAEPCWSA-N 1 0 341.480 3.218 50 0 EGAARO O=C(c1ccc(O)cc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095358163 454197513 /nfs/dbraw/zinc/19/75/13/454197513.db2.gz TUSHOIAWRXTRIW-IEBWSBKVSA-N 1 0 336.435 3.129 50 0 EGAARO Cc1cc(C)c2c(ncnc2NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000095367465 454198553 /nfs/dbraw/zinc/19/85/53/454198553.db2.gz ASYOJFHDBJRCPE-UHFFFAOYSA-N 1 0 348.454 3.113 50 0 EGAARO Cc1ccc2nc(C)c(C)c(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000095367463 454198709 /nfs/dbraw/zinc/19/87/09/454198709.db2.gz JMGUAHBSNIXWFX-KRWDZBQOSA-N 1 0 337.467 3.470 50 0 EGAARO COc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1 ZINC000095373160 454198860 /nfs/dbraw/zinc/19/88/60/454198860.db2.gz PCXZEBGWYBVYIL-SJLPKXTDSA-N 1 0 328.456 3.032 50 0 EGAARO CN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095368900 454199450 /nfs/dbraw/zinc/19/94/50/454199450.db2.gz JUFUTUAZZPVMRO-NTPDMAOXSA-N 1 0 342.483 3.049 50 0 EGAARO CC(C)n1ccnc1[C@@H]1CCCN(C(=O)C[NH+]2CCCCCCC2)C1 ZINC000095383022 454200501 /nfs/dbraw/zinc/20/05/01/454200501.db2.gz SGUUXLMKLOLPSV-GOSISDBHSA-N 1 0 346.519 3.436 50 0 EGAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000095520248 454226014 /nfs/dbraw/zinc/22/60/14/454226014.db2.gz PSLKYQANLRBNGF-HNNXBMFYSA-N 1 0 347.894 3.267 50 0 EGAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](Cc1ccncc1)CC2 ZINC000095519587 454226697 /nfs/dbraw/zinc/22/66/97/454226697.db2.gz JRJKUIBPRJSYCJ-UHFFFAOYSA-N 1 0 335.451 3.096 50 0 EGAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@@]2(C1)c1ccccc1NC2=O ZINC000072170547 454273682 /nfs/dbraw/zinc/27/36/82/454273682.db2.gz RWYJVIVBDYHGDO-GOSISDBHSA-N 1 0 342.468 3.147 50 0 EGAARO Nc1cc(Br)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000096077906 454280381 /nfs/dbraw/zinc/28/03/81/454280381.db2.gz MFLHASFLNULCAW-UHFFFAOYSA-N 1 0 346.272 3.354 50 0 EGAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNc1nccc(-c2ccncc2)n1 ZINC000096166637 454296605 /nfs/dbraw/zinc/29/66/05/454296605.db2.gz DKQWLBPJRNBLHT-GOSISDBHSA-N 1 0 331.423 3.007 50 0 EGAARO Cc1nc(-c2cnc(Nc3ccccc3)nc2)n(C2CC[NH+](C)CC2)n1 ZINC000096180765 454298391 /nfs/dbraw/zinc/29/83/91/454298391.db2.gz GIZPDAWYNSINTG-UHFFFAOYSA-N 1 0 349.442 3.054 50 0 EGAARO Cc1ccc(-c2ccccc2CN2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)o1 ZINC000091563331 454446088 /nfs/dbraw/zinc/44/60/88/454446088.db2.gz PHBDLCXAEWPERF-MSOLQXFVSA-N 1 0 342.483 3.247 50 0 EGAARO C/C=C(\C)C[NH+]1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000091645132 454454725 /nfs/dbraw/zinc/45/47/25/454454725.db2.gz KLPYQNNJNWCIDN-IJUHEHPCSA-N 1 0 327.472 3.252 50 0 EGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc4ccccc4n3)C2)N1CC1CCC1 ZINC000092078508 454517313 /nfs/dbraw/zinc/51/73/13/454517313.db2.gz FROPEPFIMNIEBI-AZUAARDMSA-N 1 0 349.478 3.458 50 0 EGAARO C[N@@H+](CCC(=O)Nc1cc(F)ccc1F)CCC1CCOCC1 ZINC000065403323 454560388 /nfs/dbraw/zinc/56/03/88/454560388.db2.gz MXGYMLRWYFPZPT-UHFFFAOYSA-N 1 0 326.387 3.042 50 0 EGAARO CCCc1cc(N2CC[NH+](C3Cc4ccccc4C3)CC2)nc(C)n1 ZINC000065532705 454586260 /nfs/dbraw/zinc/58/62/60/454586260.db2.gz FAOOYBRNONZEQW-UHFFFAOYSA-N 1 0 336.483 3.027 50 0 EGAARO COc1ccc(CN2CC[N@H+](CCC=C(C)C)C[C@H]2CCO)cc1C ZINC000107010987 454736834 /nfs/dbraw/zinc/73/68/34/454736834.db2.gz KKKWQIVVVZGRPK-HXUWFJFHSA-N 1 0 346.515 3.229 50 0 EGAARO OC[C@@]1(O)CC[N@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000215705982 456025426 /nfs/dbraw/zinc/02/54/26/456025426.db2.gz CPZLQSFJJCIUIY-MRXNPFEDSA-N 1 0 342.222 3.183 50 0 EGAARO O=C(NCCCc1cccnc1)C1([NH+]2CCCCC2)CCCCC1 ZINC000219963053 456038077 /nfs/dbraw/zinc/03/80/77/456038077.db2.gz BEVXYEVJVKBOFB-UHFFFAOYSA-N 1 0 329.488 3.319 50 0 EGAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc(N2CCCC2)cc1 ZINC000220260385 456038803 /nfs/dbraw/zinc/03/88/03/456038803.db2.gz JZFZEKPHCJUDEI-KRWDZBQOSA-N 1 0 341.499 3.281 50 0 EGAARO COC[C@@H](NC(=O)C1([NH+]2CCCCC2)CCCCC1)c1ccccn1 ZINC000222567162 456048680 /nfs/dbraw/zinc/04/86/80/456048680.db2.gz ILRBDCDAUOKYBM-GOSISDBHSA-N 1 0 345.487 3.074 50 0 EGAARO O=C(CC[NH+]1CCCC1)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000223840091 456060862 /nfs/dbraw/zinc/06/08/62/456060862.db2.gz RQMPWYXHEJKFKW-LJQANCHMSA-N 1 0 343.858 3.427 50 0 EGAARO O=C(/C=C/c1ccccc1)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225567569 456093239 /nfs/dbraw/zinc/09/32/39/456093239.db2.gz PXBYGFDTKKXUPY-IPLHWJFFSA-N 1 0 330.497 3.034 50 0 EGAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000426393061 457821433 /nfs/dbraw/zinc/82/14/33/457821433.db2.gz QIQRBJJYMYQEBD-SFHVURJKSA-N 1 0 345.487 3.156 50 0 EGAARO Cn1ccnc1[C@H]([NH2+]C1CCN(c2ccccc2F)CC1)C1CC1 ZINC000534586684 459335547 /nfs/dbraw/zinc/33/55/47/459335547.db2.gz FBIOAKVFMPGJMN-GOSISDBHSA-N 1 0 328.435 3.269 50 0 EGAARO CC(C)(C)C[C@H](NC(=O)N1CC([NH+]2CCCCC2)C1)c1cccnc1 ZINC000534631878 459338738 /nfs/dbraw/zinc/33/87/38/459338738.db2.gz WRWVCGJSTWZQSW-SFHVURJKSA-N 1 0 344.503 3.439 50 0 EGAARO Cn1nc(C[NH2+]C2CSCCSC2)c2c1cccc2Cl ZINC000534633526 459338981 /nfs/dbraw/zinc/33/89/81/459338981.db2.gz MTBGQWNDHPHVPA-UHFFFAOYSA-N 1 0 327.906 3.165 50 0 EGAARO C[C@@H]([NH2+]CCn1ccnc1)c1cc2cc(Br)ccc2[nH]1 ZINC000585135061 459828263 /nfs/dbraw/zinc/82/82/63/459828263.db2.gz VWFKBSLNEOSFDT-LLVKDONJSA-N 1 0 333.233 3.478 50 0 EGAARO CC[NH2+][C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 ZINC000665887186 461332397 /nfs/dbraw/zinc/33/23/97/461332397.db2.gz HKDXKRIDNGJALN-CABCVRRESA-N 1 0 331.441 3.225 50 0 EGAARO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000019229542 527177599 /nfs/dbraw/zinc/17/75/99/527177599.db2.gz HCMUPEDSYKMUGN-GOSISDBHSA-N 1 0 336.439 3.219 50 0 EGAARO CCCCc1ccc(-n2cc(CN3CC[N@H+](C)[C@H](C)C3)cn2)cc1 ZINC000216062712 535082827 /nfs/dbraw/zinc/08/28/27/535082827.db2.gz MKHZDSPWPATOLK-QGZVFWFLSA-N 1 0 326.488 3.351 50 0 EGAARO COc1cccc(N2CCC([N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)CC2)c1 ZINC000670444381 548215391 /nfs/dbraw/zinc/21/53/91/548215391.db2.gz DUMJYLCRCJSZAR-MRXNPFEDSA-N 1 0 340.471 3.267 50 0 EGAARO CC[C@@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000670448883 548217249 /nfs/dbraw/zinc/21/72/49/548217249.db2.gz IRUKLQJIKDRFOG-QGZVFWFLSA-N 1 0 343.496 3.381 50 0 EGAARO Cc1c2ccccc2[nH]c1C[N@H+](C)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000670452014 548218629 /nfs/dbraw/zinc/21/86/29/548218629.db2.gz YRSFXDKYGOJGNJ-HNNXBMFYSA-N 1 0 336.439 3.319 50 0 EGAARO c1c(Cc2ccccc2)nnn1C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000019221571 1291192067 /nfs/dbraw/zinc/19/20/67/1291192067.db2.gz CBEHEMZNDVDVPU-SFHVURJKSA-N 1 0 328.485 3.011 50 0 EGAARO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)cc1 ZINC000019839748 1291193708 /nfs/dbraw/zinc/19/37/08/1291193708.db2.gz MOBDIXWHUHNOAK-LVCYWYKZSA-N 1 0 342.458 3.278 50 0 EGAARO COCc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000022919804 1291228077 /nfs/dbraw/zinc/22/80/77/1291228077.db2.gz MKBXNXKIBGJVDW-MRXNPFEDSA-N 1 0 332.419 3.319 50 0 EGAARO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccncc3)C2)ccc1Cl ZINC000067714467 1292170383 /nfs/dbraw/zinc/17/03/83/1292170383.db2.gz MMTZPUAAXLQFMB-INIZCTEOSA-N 1 0 343.858 3.295 50 0 EGAARO O=C(C[NH+]1CCCCCC1)N(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000827884191 1292393769 /nfs/dbraw/zinc/39/37/69/1292393769.db2.gz SSENUUDAWJEMQH-KRWDZBQOSA-N 1 0 336.501 3.132 50 0 EGAARO Cc1nc(C[NH2+][C@@H]2CCN(c3nc(C)cc(CC(C)C)n3)C2)cs1 ZINC000821446105 1320013764 /nfs/dbraw/zinc/01/37/64/1320013764.db2.gz YQICQOWRMUCNDM-OAHLLOKOSA-N 1 0 345.516 3.117 50 0 EGAARO CCOc1ccc(-c2nn3c(nnc3C3CC[NH+](C)CC3)s2)cc1 ZINC000823381183 1320173555 /nfs/dbraw/zinc/17/35/55/1320173555.db2.gz BBIXWTRPEJOSLL-UHFFFAOYSA-N 1 0 343.456 3.061 50 0 EGAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2cnn(-c3cccc(F)c3)c2)n1 ZINC000823716280 1320200492 /nfs/dbraw/zinc/20/04/92/1320200492.db2.gz SZRFDGGWGTZKMH-UHFFFAOYSA-N 1 0 341.434 3.347 50 0 EGAARO C[NH+]1CCC(c2nnc3sc(-c4ccc(Cl)cc4)nn32)CC1 ZINC000823766061 1320204309 /nfs/dbraw/zinc/20/43/09/1320204309.db2.gz WFWAIHMFSQIUDB-UHFFFAOYSA-N 1 0 333.848 3.315 50 0 EGAARO Cc1ncsc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000823764730 1320204513 /nfs/dbraw/zinc/20/45/13/1320204513.db2.gz BRTBJDZCGQKLBJ-UHFFFAOYSA-N 1 0 331.441 3.177 50 0 EGAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccncc3)cc2)CC1 ZINC000823765093 1320204648 /nfs/dbraw/zinc/20/46/48/1320204648.db2.gz UWRHDGJEFDOJSF-UHFFFAOYSA-N 1 0 339.439 3.126 50 0 EGAARO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H](n3nc(C)cc3C)C1)CO2 ZINC000824750887 1320282709 /nfs/dbraw/zinc/28/27/09/1320282709.db2.gz FUFHZRIBPBTOTN-GOSISDBHSA-N 1 0 339.439 3.231 50 0 EGAARO CCCN1C[C@H](NCc2nc3ccccc3n2CCC(C)C)CC1=O ZINC000952965878 1334626186 /nfs/dbraw/zinc/62/61/86/1334626186.db2.gz FZGDQAUETNUHRK-MRXNPFEDSA-N 1 0 342.487 3.183 50 0 EGAARO Cc1ccccc1-c1cccc(C[NH2+]CCN2CCC[C@@H](CO)C2)c1 ZINC000952967857 1334627202 /nfs/dbraw/zinc/62/72/02/1334627202.db2.gz MKWDUKHCQPKFHF-HXUWFJFHSA-N 1 0 338.495 3.456 50 0 EGAARO COc1cc(C)c(C[NH2+][C@@H]2CCCN(C(=O)c3ccco3)C2)cc1C ZINC000952971357 1334627472 /nfs/dbraw/zinc/62/74/72/1334627472.db2.gz 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Cc1ccccc1[C@H](CNC(=O)c1cnc(C2CC2)nc1C)[NH+](C)C ZINC000097294779 454431822 /nfs/dbraw/zinc/43/18/22/454431822.db2.gz YCAMVFXVNKZGHA-SFHVURJKSA-N 1 0 338.455 3.004 50 0 EGAARO COc1cccc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)o2)c1 ZINC000097436969 454436158 /nfs/dbraw/zinc/43/61/58/454436158.db2.gz OQHAJJXTHICEBS-UHFFFAOYSA-N 1 0 328.412 3.171 50 0 EGAARO C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC[C@@]1(O)C1CCOCC1 ZINC000091462638 454438538 /nfs/dbraw/zinc/43/85/38/454438538.db2.gz XOOCAXUPDDVFRO-ACJLOTCBSA-N 1 0 341.854 3.479 50 0 EGAARO CCOc1ccc2nc(C[N@@H+]3CCC[C@@H](c4ncon4)C3)ccc2c1 ZINC000097528998 454438708 /nfs/dbraw/zinc/43/87/08/454438708.db2.gz NNTKDMLBVIQAJX-OAHLLOKOSA-N 1 0 338.411 3.396 50 0 EGAARO COCC[NH+]1CCC(C(=O)N(C)[C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000097578971 454440042 /nfs/dbraw/zinc/44/00/42/454440042.db2.gz UKINIFFWEJFEMU-OAHLLOKOSA-N 1 0 343.471 3.046 50 0 EGAARO Cc1nccn1CC[N@@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000097717310 454445102 /nfs/dbraw/zinc/44/51/02/454445102.db2.gz UNWLLELDNXXLRV-UHFFFAOYSA-N 1 0 346.438 3.033 50 0 EGAARO OCc1cccc(C[C@@H]2CC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000091563245 454446188 /nfs/dbraw/zinc/44/61/88/454446188.db2.gz XHYTXFVACCDALM-IBGZPJMESA-N 1 0 347.462 3.429 50 0 EGAARO C[NH+]1CCC(n2nc(Cc3cccs3)nc2-c2ccncc2)CC1 ZINC000091595943 454449204 /nfs/dbraw/zinc/44/92/04/454449204.db2.gz INLQDCGTSURXDK-UHFFFAOYSA-N 1 0 339.468 3.259 50 0 EGAARO Cc1nc(C)c(C)c(NC2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000091625877 454450916 /nfs/dbraw/zinc/45/09/16/454450916.db2.gz CNCYGBMAUQBSKW-UHFFFAOYSA-N 1 0 326.444 3.184 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1C ZINC000063871537 454457500 /nfs/dbraw/zinc/45/75/00/454457500.db2.gz FDJXNMPBQDIHMN-GOSISDBHSA-N 1 0 329.440 3.482 50 0 EGAARO O=C(CC1CCCC1)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2 ZINC000091745920 454466628 /nfs/dbraw/zinc/46/66/28/454466628.db2.gz ASLTXIBRNBFSFZ-UHFFFAOYSA-N 1 0 344.503 3.228 50 0 EGAARO CCC[C@]1(CO)CCC[N@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000091779823 454470498 /nfs/dbraw/zinc/47/04/98/454470498.db2.gz YPDNVXZPMLGYCL-IBGZPJMESA-N 1 0 331.435 3.386 50 0 EGAARO CC(C)=CC[C@@]1(CO)CCC[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000091830292 454478702 /nfs/dbraw/zinc/47/87/02/454478702.db2.gz MEUBKCRMTNTKBE-NRFANRHFSA-N 1 0 348.531 3.208 50 0 EGAARO Cc1cc(-n2nc(C3CC3)nc2-c2ccccc2-n2cncn2)cc[nH+]1 ZINC000065376168 454555790 /nfs/dbraw/zinc/55/57/90/454555790.db2.gz NTLWZLUVEJECJE-UHFFFAOYSA-N 1 0 343.394 3.096 50 0 EGAARO Cc1ccc(Cl)c(NC(=O)c2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000065407089 454561915 /nfs/dbraw/zinc/56/19/15/454561915.db2.gz LALMWLKMGZHPBH-INIZCTEOSA-N 1 0 344.842 3.467 50 0 EGAARO CCn1nccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000065451718 454569025 /nfs/dbraw/zinc/56/90/25/454569025.db2.gz WOAARTMJGWRWPE-HNNXBMFYSA-N 1 0 326.444 3.387 50 0 EGAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(-c2cccnc2)n1 ZINC000065498824 454578761 /nfs/dbraw/zinc/57/87/61/454578761.db2.gz MNOHJJWAHSWMDW-UHFFFAOYSA-N 1 0 345.450 3.169 50 0 EGAARO CCCCOc1ccc(CC=CC2SC(=O)N(CC[NH3+])C2=O)cc1 ZINC000118239825 455101288 /nfs/dbraw/zinc/10/12/88/455101288.db2.gz MPZXLTZVPUSTFY-SOFYXZRVSA-N 1 0 348.468 3.336 50 0 in-vitro EGAARO Cc1ccc(Oc2ccc(CN3CC[NH+](CCO)CC3)cc2)cc1C ZINC000219920881 456037615 /nfs/dbraw/zinc/03/76/15/456037615.db2.gz WQCRZNDSKDYKRT-UHFFFAOYSA-N 1 0 340.467 3.206 50 0 EGAARO Cc1cccc(Cl)c1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000222634836 456048459 /nfs/dbraw/zinc/04/84/59/456048459.db2.gz QBCXAWSAHJPJRC-HNNXBMFYSA-N 1 0 336.863 3.022 50 0 EGAARO Cc1c2ccccc2[nH]c1CN(C)C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000534635541 459340834 /nfs/dbraw/zinc/34/08/34/459340834.db2.gz SPZQSGUCALCLQM-AWEZNQCLSA-N 1 0 328.460 3.102 50 0 EGAARO CC[NH+]1CCC(NC(=O)/C=C/c2ccc(C)o2)(C(F)(F)F)CC1 ZINC000585139274 459828885 /nfs/dbraw/zinc/82/88/85/459828885.db2.gz OXEMYCFTZSPRJL-VOTSOKGWSA-N 1 0 330.350 3.134 50 0 EGAARO O=C(Nc1c(F)cccc1F)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150068 459830894 /nfs/dbraw/zinc/83/08/94/459830894.db2.gz SANVWTJWJWFNKR-LBPRGKRZSA-N 1 0 337.395 3.422 50 0 EGAARO C[N@H+](Cc1ccc(Cn2cccn2)cc1)Cc1ccc2nonc2c1 ZINC000215120550 536469657 /nfs/dbraw/zinc/46/96/57/536469657.db2.gz SYUCBTKNWZMMAJ-UHFFFAOYSA-N 1 0 333.395 3.100 50 0 EGAARO COc1cc(C)c(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1C(C)C ZINC000215335128 536573996 /nfs/dbraw/zinc/57/39/96/536573996.db2.gz LYXMAMDOUJXEGH-PMACEKPBSA-N 1 0 346.515 3.158 50 0 EGAARO CC[N@@H+]1C[C@H](NC(=O)c2ccc(-c3ccccc3C)cc2)[C@@H](OC)C1 ZINC000219632108 547241671 /nfs/dbraw/zinc/24/16/71/547241671.db2.gz BYRDQTNDSXEAJC-PMACEKPBSA-N 1 0 338.451 3.111 50 0 EGAARO CCc1oc(-c2ncnn2CC(F)(F)F)cc1C[NH+]1CCCC1 ZINC000670455090 548218648 /nfs/dbraw/zinc/21/86/48/548218648.db2.gz YVIKUVRMDSDDRQ-UHFFFAOYSA-N 1 0 328.338 3.259 50 0 EGAARO O=C(Cc1cccs1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012590127 1291132818 /nfs/dbraw/zinc/13/28/18/1291132818.db2.gz RWHJWDLOVUARPB-QGZVFWFLSA-N 1 0 328.481 3.114 50 0 EGAARO C[C@@H](COc1ccccc1)[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000015067289 1291145798 /nfs/dbraw/zinc/14/57/98/1291145798.db2.gz FEDGJPUMESTNHE-INIZCTEOSA-N 1 0 330.472 3.225 50 0 EGAARO O=C1C[C@@H]([NH2+]Cc2cccnc2)CN1Cc1cccc2ccccc21 ZINC000015067989 1291146115 /nfs/dbraw/zinc/14/61/15/1291146115.db2.gz AIOUWVLNURPCJD-LJQANCHMSA-N 1 0 331.419 3.126 50 0 EGAARO O=c1cc(-c2ccncc2)nc(-c2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000048390799 1291601671 /nfs/dbraw/zinc/60/16/71/1291601671.db2.gz SGMVQLODSVHFKD-UHFFFAOYSA-N 1 0 346.434 3.485 50 0 EGAARO c1cc([C@H]2CCC[N@@H+](Cc3cnc(NCc4ccccc4)nc3)C2)n[nH]1 ZINC000829069287 1292536008 /nfs/dbraw/zinc/53/60/08/1292536008.db2.gz UKJGHDHRKNZXFU-SFHVURJKSA-N 1 0 348.454 3.191 50 0 EGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(c1ncnc3[nH]ccc31)CC2 ZINC000095523626 1292945401 /nfs/dbraw/zinc/94/54/01/1292945401.db2.gz UHIAEOYQQYBFCG-KRWDZBQOSA-N 1 0 347.466 3.416 50 0 EGAARO COCC[N@@H+]1CCC[C@@H](c2nc(C)nn2Cc2ccc(Cl)cc2)C1 ZINC000824413147 1320255754 /nfs/dbraw/zinc/25/57/54/1320255754.db2.gz KCWHMUZVYNHNTI-MRXNPFEDSA-N 1 0 348.878 3.114 50 0 EGAARO Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@@]2(C)CC[N@@H+](C)C2)c1 ZINC000823755004 1320203721 /nfs/dbraw/zinc/20/37/21/1320203721.db2.gz PRWACCZSSVNPBO-FQEVSTJZSA-N 1 0 343.471 3.404 50 0 EGAARO Cc1nc(C)c(C)c(NC[C@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC000825269838 1320322802 /nfs/dbraw/zinc/32/28/02/1320322802.db2.gz GELIQORUHZTCSF-GOSISDBHSA-N 1 0 325.460 3.436 50 0 EGAARO Nc1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)s1 ZINC000827590690 1320461550 /nfs/dbraw/zinc/46/15/50/1320461550.db2.gz XTMQDIQPMPLBMY-OAHLLOKOSA-N 1 0 344.484 3.072 50 0 EGAARO Cc1n[nH]c(C)c1C[N@H+](CCOc1ccccc1)C[C@@H]1CCCO1 ZINC000952868580 1334583456 /nfs/dbraw/zinc/58/34/56/1334583456.db2.gz AUGHAUJUHXBPIU-SFHVURJKSA-N 1 0 329.444 3.087 50 0 EGAARO CC(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)C1 ZINC000952963322 1334625751 /nfs/dbraw/zinc/62/57/51/1334625751.db2.gz GUHDWXYXVQREOV-LJQANCHMSA-N 1 0 337.467 3.485 50 0 EGAARO CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cn3cncn3)c2)CC1 ZINC000952982996 1334629755 /nfs/dbraw/zinc/62/97/55/1334629755.db2.gz NRLJOYSVMVGHIV-MRXNPFEDSA-N 1 0 328.460 3.347 50 0 EGAARO O=C(NCCSc1ccccn1)C1([NH+]2CCCC2)CCCCC1 ZINC000952982718 1334629831 /nfs/dbraw/zinc/62/98/31/1334629831.db2.gz ZXYHZMKRPHHFRZ-UHFFFAOYSA-N 1 0 333.501 3.089 50 0 EGAARO CC[C@@H]1C=CC[N@@H+]1Cc1ccccc1OCC(=O)N1CCC(C)CC1 ZINC000952987576 1334631388 /nfs/dbraw/zinc/63/13/88/1334631388.db2.gz KCQQJAOZTAVYFL-LJQANCHMSA-N 1 0 342.483 3.474 50 0 EGAARO O=C(C[NH+]1CCCCCC1)N1CCC2(CC1)OCCc1sccc12 ZINC001704342680 1416449342 /nfs/dbraw/zinc/44/93/42/1416449342.db2.gz BIEBCDRUTUINLP-UHFFFAOYSA-N 1 0 348.512 3.015 50 0 EGAARO CN(C(=O)C[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC001704354114 1416453932 /nfs/dbraw/zinc/45/39/32/1416453932.db2.gz SJDLXYAWYKUXRL-SFHVURJKSA-N 1 0 337.467 3.108 50 0 EGAARO C[NH+](C)CCOc1cccc(-c2nccn2[C@H]2COc3ccccc32)c1 ZINC001772805880 1441417478 /nfs/dbraw/zinc/41/74/78/1441417478.db2.gz VBUSBIQZQQNDIV-IBGZPJMESA-N 1 0 349.434 3.472 50 0 EGAARO O=C(NCCc1nccs1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000050451603 214057336 /nfs/dbraw/zinc/05/73/36/214057336.db2.gz ZQNDFUGJXHIUEC-UHFFFAOYSA-N 1 0 329.469 3.102 50 0 EGAARO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000097716677 219050825 /nfs/dbraw/zinc/05/08/25/219050825.db2.gz FLWUPZVPODXWRC-INIZCTEOSA-N 1 0 334.423 3.133 50 0 EGAARO CO[C@@H](C(=O)N(CC[NH+](C)C)Cc1sccc1C)c1ccccc1 ZINC000055036504 214265891 /nfs/dbraw/zinc/26/58/91/214265891.db2.gz AYHILBPNBRDQJP-GOSISDBHSA-N 1 0 346.496 3.334 50 0 EGAARO COc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)CO)cc2c1OCO2 ZINC000055227082 214292532 /nfs/dbraw/zinc/29/25/32/214292532.db2.gz SGQNUQAQBDPXSJ-OAHLLOKOSA-N 1 0 343.423 3.055 50 0 EGAARO CSc1ccc(C[N@H+](CCO)Cc2ccc3c(c2)OCCO3)cc1 ZINC000055325297 214307460 /nfs/dbraw/zinc/30/74/60/214307460.db2.gz BAWZARJLVXSOKT-UHFFFAOYSA-N 1 0 345.464 3.174 50 0 EGAARO Cc1cccc(-c2ncc(C[NH2+][C@@H](CO)Cc3ccccc3)cn2)c1 ZINC000055341637 214308347 /nfs/dbraw/zinc/30/83/47/214308347.db2.gz XGMYWASNPHVSQU-HXUWFJFHSA-N 1 0 333.435 3.145 50 0 EGAARO COCCn1ccnc1C[N@@H+]1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000055393401 214317218 /nfs/dbraw/zinc/31/72/18/214317218.db2.gz RQCHNRKOWPFPKL-SFHVURJKSA-N 1 0 343.471 3.222 50 0 EGAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000004488487 210201546 /nfs/dbraw/zinc/20/15/46/210201546.db2.gz LWFNYDIKOJRVHZ-UHFFFAOYSA-N 1 0 349.847 3.005 50 0 EGAARO CC(C)CC[C@H](CC(=O)NCC[NH+](C)C)[C@H]1CCOC(C)(C)C1 ZINC000004084482 210116814 /nfs/dbraw/zinc/11/68/14/210116814.db2.gz LHZAEUFCMPVBIP-SJORKVTESA-N 1 0 326.525 3.312 50 0 biogenic EGAARO CC(C)NC(=O)c1ccccc1-c1cc2c(c(Cl)c1)O[C@@H](C[NH3+])C2 ZINC000067458506 215147791 /nfs/dbraw/zinc/14/77/91/215147791.db2.gz YPMRQKDFYSYDDI-CQSZACIVSA-N 1 0 344.842 3.407 50 0 EGAARO CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067562091 215162542 /nfs/dbraw/zinc/16/25/42/215162542.db2.gz DCWVVKHDIDOJNN-HNNXBMFYSA-N 1 0 340.471 3.061 50 0 EGAARO O=C(N1CCC[C@@H](c2cc[nH]n2)C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000067695534 215188105 /nfs/dbraw/zinc/18/81/05/215188105.db2.gz YJOFCOFNRBXXEV-QGZVFWFLSA-N 1 0 344.503 3.305 50 0 EGAARO Cc1ccc(Cn2c3ccccc3nc2CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000067740319 215199448 /nfs/dbraw/zinc/19/94/48/215199448.db2.gz IFGYKZXTTDZQAY-SFHVURJKSA-N 1 0 334.467 3.174 50 0 EGAARO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067817341 215220644 /nfs/dbraw/zinc/22/06/44/215220644.db2.gz PDDYYZZCYQATJE-SFHVURJKSA-N 1 0 346.434 3.362 50 0 EGAARO Cc1c2ccccc2[nH]c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067849867 215230256 /nfs/dbraw/zinc/23/02/56/215230256.db2.gz UVRZGKSXAGFBBD-HNNXBMFYSA-N 1 0 337.423 3.321 50 0 EGAARO CC[C@@H](NC(=O)c1ccco1)C1=CCC[N@H+](Cc2ccccn2)C1 ZINC000067834082 215225135 /nfs/dbraw/zinc/22/51/35/215225135.db2.gz KWWOEOZURHNISZ-QGZVFWFLSA-N 1 0 325.412 3.015 50 0 EGAARO c1nnc(CN[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C1CCCCC1 ZINC000067910369 215249008 /nfs/dbraw/zinc/24/90/08/215249008.db2.gz YAASRZBTSRPXAI-SFHVURJKSA-N 1 0 339.487 3.147 50 0 EGAARO COc1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)cc1OC ZINC000067956056 215258715 /nfs/dbraw/zinc/25/87/15/215258715.db2.gz NJNSUKFVOURBDV-UHFFFAOYSA-N 1 0 342.439 3.244 50 0 EGAARO Cc1ccccc1C[N@@H+]1CCN(CCc2ccccc2)C[C@H]1CCO ZINC000104342896 219377021 /nfs/dbraw/zinc/37/70/21/219377021.db2.gz WIKXTGXCLMHCKB-JOCHJYFZSA-N 1 0 338.495 3.106 50 0 EGAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000000819251 209690698 /nfs/dbraw/zinc/69/06/98/209690698.db2.gz MROJBEOPBKAPFF-UHFFFAOYSA-N 1 0 343.858 3.263 50 0 EGAARO C[NH+](C)CCCNC(=O)c1ccc(-c2cc(O)c3ncccc3c2)cc1 ZINC000036380977 213092207 /nfs/dbraw/zinc/09/22/07/213092207.db2.gz QDBVSOZTVKXUES-UHFFFAOYSA-N 1 0 349.434 3.289 50 0 in-vitro EGAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035287371 213018380 /nfs/dbraw/zinc/01/83/80/213018380.db2.gz TZTDXEAWMSGECI-QWHCGFSZSA-N 1 0 330.350 3.286 50 0 EGAARO Cc1nc(C2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)cc(=O)[nH]1 ZINC000072122237 216014479 /nfs/dbraw/zinc/01/44/79/216014479.db2.gz BRPIGZAIPSSZAN-UHFFFAOYSA-N 1 0 344.484 3.206 50 0 EGAARO O=C(CC[N@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1)N1CCCC1 ZINC000072121729 216015323 /nfs/dbraw/zinc/01/53/23/216015323.db2.gz GOAYREXTKWRBRZ-SFHVURJKSA-N 1 0 332.463 3.483 50 0 EGAARO c1ccc(CC[NH+]2CCC([C@H]3CCN(c4ncccn4)C3)CC2)cc1 ZINC000072141871 216027466 /nfs/dbraw/zinc/02/74/66/216027466.db2.gz WIBXOGSISUETIJ-FQEVSTJZSA-N 1 0 336.483 3.258 50 0 EGAARO Cc1ccc(SCCCN(C)Cc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072140151 216026168 /nfs/dbraw/zinc/02/61/68/216026168.db2.gz CFAIYUUQEATNIP-UHFFFAOYSA-N 1 0 344.528 3.299 50 0 EGAARO NC(=O)CC[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072140018 216026308 /nfs/dbraw/zinc/02/63/08/216026308.db2.gz FPHBTTRKOWJLOK-ZDUSSCGKSA-N 1 0 328.378 3.225 50 0 EGAARO CCN(CC1CCOCC1)C(=O)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072143962 216028423 /nfs/dbraw/zinc/02/84/23/216028423.db2.gz ICZOCQQOYAYPQR-IBGZPJMESA-N 1 0 344.499 3.117 50 0 EGAARO Clc1cccnc1N1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000072146537 216033222 /nfs/dbraw/zinc/03/32/22/216033222.db2.gz RDXRERMVVUAJND-FUHWJXTLSA-N 1 0 348.922 3.122 50 0 EGAARO C[NH+](C)[C@H]1CCCN(c2cc(-c3ccccc3F)nc3ccnn32)C1 ZINC000072147154 216033988 /nfs/dbraw/zinc/03/39/88/216033988.db2.gz QCOXCPQOXWZGBS-AWEZNQCLSA-N 1 0 339.418 3.066 50 0 EGAARO c1ccc(OCCN(Cc2cccnc2)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000072148333 216035400 /nfs/dbraw/zinc/03/54/00/216035400.db2.gz ADRLUVKDYYJPLJ-OAQYLSRUSA-N 1 0 337.467 3.057 50 0 EGAARO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072163704 216051813 /nfs/dbraw/zinc/05/18/13/216051813.db2.gz LYTBYVSZYIQYIQ-MRXNPFEDSA-N 1 0 349.482 3.479 50 0 EGAARO Cc1c2ccccc2oc1Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072421071 216208924 /nfs/dbraw/zinc/20/89/24/216208924.db2.gz UYOQIWFVRSHJEK-UHFFFAOYSA-N 1 0 347.422 3.343 50 0 EGAARO COCCCN(C(=O)c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000072430826 216223666 /nfs/dbraw/zinc/22/36/66/216223666.db2.gz BDTHTUQCLBLIIF-UHFFFAOYSA-N 1 0 342.842 3.052 50 0 EGAARO O=C1CC[C@H]2CN(c3cc[nH+]cc3)CC[C@H]2N1CCc1ccccc1 ZINC000072457434 216241901 /nfs/dbraw/zinc/24/19/01/216241901.db2.gz KNVYDMQCYMNHOW-AZUAARDMSA-N 1 0 335.451 3.142 50 0 EGAARO Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3cccnc3N)CC2)n1 ZINC000072474192 216251159 /nfs/dbraw/zinc/25/11/59/216251159.db2.gz PSZRFKLXKAZSPO-UHFFFAOYSA-N 1 0 337.471 3.002 50 0 EGAARO COC(=O)c1sccc1NC(=O)C[NH+](CC(C)C)CC(C)C ZINC000026648125 212530031 /nfs/dbraw/zinc/53/00/31/212530031.db2.gz BFBOJQAUJPKXGV-UHFFFAOYSA-N 1 0 326.462 3.087 50 0 EGAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N(Cc1cncs1)C1CC1 ZINC000023620017 212385881 /nfs/dbraw/zinc/38/58/81/212385881.db2.gz DXQNASSQRQIHNR-CYBMUJFWSA-N 1 0 333.482 3.434 50 0 EGAARO CSCC[NH+]1CCC(NC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000215348263 241119992 /nfs/dbraw/zinc/11/99/92/241119992.db2.gz PZUDABCXDLJHGK-MRXNPFEDSA-N 1 0 332.513 3.050 50 0 EGAARO c1c(C[N@H+]2CCCN(Cc3ccccn3)CC2)onc1-c1ccccc1 ZINC000215080816 241105096 /nfs/dbraw/zinc/10/50/96/241105096.db2.gz QQHPJJPGMANUSB-UHFFFAOYSA-N 1 0 348.450 3.445 50 0 EGAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000216248704 241178094 /nfs/dbraw/zinc/17/80/94/241178094.db2.gz YCLPQTPTNIAKLJ-OAHLLOKOSA-N 1 0 325.460 3.377 50 0 EGAARO Cn1ccc2ccc(C[N@@H+]3CCCN(Cc4ccccn4)CC3)cc21 ZINC000216476954 241194416 /nfs/dbraw/zinc/19/44/16/241194416.db2.gz RDPJCIGOXGIFBU-UHFFFAOYSA-N 1 0 334.467 3.281 50 0 EGAARO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000215666920 241138376 /nfs/dbraw/zinc/13/83/76/241138376.db2.gz GMPHJVDMQOWGKT-UHFFFAOYSA-N 1 0 339.418 3.118 50 0 EGAARO OCC[C@@H]1CN(Cc2c[nH]c3ccccc23)CC[N@@H+]1C1CCCCC1 ZINC000020992107 212194582 /nfs/dbraw/zinc/19/45/82/212194582.db2.gz VITRYXONMZTMRN-LJQANCHMSA-N 1 0 341.499 3.369 50 0 EGAARO c1ccc2c(c1)CC([N@@H+]1CCCN(CCCc3cccnc3)CC1)C2 ZINC000244574932 243042301 /nfs/dbraw/zinc/04/23/01/243042301.db2.gz CTUKDMLGZJYXFW-UHFFFAOYSA-N 1 0 335.495 3.189 50 0 EGAARO COc1cccc(OCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC000244678733 243057023 /nfs/dbraw/zinc/05/70/23/243057023.db2.gz IIYGSNFUNAOIDF-UHFFFAOYSA-N 1 0 345.414 3.197 50 0 EGAARO Cc1cc(Cl)cc(Br)c1OCCN1CC[NH+](C)CC1 ZINC000020652749 212159839 /nfs/dbraw/zinc/15/98/39/212159839.db2.gz LOENBLDDGIABSY-UHFFFAOYSA-N 1 0 347.684 3.037 50 0 EGAARO Fc1ccccc1CN1CCC[C@H]([NH2+]C2CSCCSC2)C1 ZINC000020449119 212129774 /nfs/dbraw/zinc/12/97/74/212129774.db2.gz JTORAIPEXICIEZ-HNNXBMFYSA-N 1 0 340.533 3.228 50 0 EGAARO CC[NH+]1CCN(CCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000020406444 212125829 /nfs/dbraw/zinc/12/58/29/212125829.db2.gz LDNMVMMMAREJHB-UHFFFAOYSA-N 1 0 340.467 3.282 50 0 EGAARO CC(C)C[N@@H+]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1CCO ZINC000020294258 212116361 /nfs/dbraw/zinc/11/63/61/212116361.db2.gz ZDHOQMNDHRSERR-AWEZNQCLSA-N 1 0 328.859 3.004 50 0 EGAARO C[C@@H]1C[NH+](CCCOc2ccccc2Br)C[C@@H](C)O1 ZINC000020167311 212108154 /nfs/dbraw/zinc/10/81/54/212108154.db2.gz GWTQPPDNBSYBSA-CHWSQXEVSA-N 1 0 328.250 3.327 50 0 EGAARO COc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)c(OC)c1 ZINC000019781919 212066352 /nfs/dbraw/zinc/06/63/52/212066352.db2.gz BHDDKTIJWRFMBS-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 EGAARO CSc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000019595302 212050824 /nfs/dbraw/zinc/05/08/24/212050824.db2.gz CKFPJEAXCARGJQ-SFHVURJKSA-N 1 0 334.529 3.220 50 0 EGAARO COc1ccc(-c2cn(C3CC[NH+]([C@@H]4CCSC4)CC3)nn2)cc1 ZINC000019218839 212005556 /nfs/dbraw/zinc/00/55/56/212005556.db2.gz OPHFEWJXNVJWMY-MRXNPFEDSA-N 1 0 344.484 3.096 50 0 EGAARO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016580724 211915474 /nfs/dbraw/zinc/91/54/74/211915474.db2.gz GEJDMQSEPAKCKQ-KRWDZBQOSA-N 1 0 338.879 3.486 50 0 EGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000012318579 211344176 /nfs/dbraw/zinc/34/41/76/211344176.db2.gz SCBCZBMKUNASDT-KRWDZBQOSA-N 1 0 331.460 3.184 50 0 EGAARO COc1ccc([C@@H]2CN(c3nc4ccccc4o3)C[C@H]2[NH+](C)C)cc1 ZINC000091664624 218043045 /nfs/dbraw/zinc/04/30/45/218043045.db2.gz JPGAXCXFYALHLP-FUHWJXTLSA-N 1 0 337.423 3.370 50 0 EGAARO OCCOc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1 ZINC000011753759 211243161 /nfs/dbraw/zinc/24/31/61/211243161.db2.gz NPDCPFGHMINOCC-LJQANCHMSA-N 1 0 344.430 3.273 50 0 EGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)N(C)C)CC2)C1 ZINC000091964978 218096210 /nfs/dbraw/zinc/09/62/10/218096210.db2.gz ZIOZLSBUAXGFQP-GOSISDBHSA-N 1 0 329.488 3.260 50 0 EGAARO CCCOC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095360621 218292660 /nfs/dbraw/zinc/29/26/60/218292660.db2.gz AYTNHEUBHOICPP-IPMKNSEASA-N 1 0 344.455 3.104 50 0 EGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(N(C)C)nc1)C2 ZINC000095359529 218293160 /nfs/dbraw/zinc/29/31/60/218293160.db2.gz MPIXKCWJQCEIOT-RBUKOAKNSA-N 1 0 328.504 3.010 50 0 EGAARO COc1ccc([C@@H]2CN(c3ncccc3Cl)C[C@H]2[NH+](C)C)cc1 ZINC000095357713 218291594 /nfs/dbraw/zinc/29/15/94/218291594.db2.gz MAAGHPFXCKQHGQ-DOTOQJQBSA-N 1 0 331.847 3.278 50 0 EGAARO CN(C)[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(F)cc1 ZINC000095359029 218291686 /nfs/dbraw/zinc/29/16/86/218291686.db2.gz SYSLRSGODKOTND-SFHVURJKSA-N 1 0 349.494 3.199 50 0 EGAARO C[C@@H](O)c1cccc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000095374045 218306955 /nfs/dbraw/zinc/30/69/55/218306955.db2.gz URNHKDGMKGCZAW-NEFAXPCMSA-N 1 0 341.499 3.226 50 0 EGAARO C[C@@H](O)c1cccc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000095375640 218309399 /nfs/dbraw/zinc/30/93/99/218309399.db2.gz NYJMGNLAYYRMDP-MRXNPFEDSA-N 1 0 337.467 3.162 50 0 EGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@@H]1c1nccs1 ZINC000095383210 218315428 /nfs/dbraw/zinc/31/54/28/218315428.db2.gz LWAOJUVLWSMPJM-MRXNPFEDSA-N 1 0 345.468 3.312 50 0 EGAARO Cc1cc2c(ncnc2N2CCC([NH2+][C@H]3CCSC3)CC2)s1 ZINC000095512043 218422198 /nfs/dbraw/zinc/42/21/98/218422198.db2.gz BRXXRFNHVTWTCH-ZDUSSCGKSA-N 1 0 334.514 3.064 50 0 EGAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)s1 ZINC000097307784 219010811 /nfs/dbraw/zinc/01/08/11/219010811.db2.gz RGWREWKPOFHULU-QGZVFWFLSA-N 1 0 348.487 3.264 50 0 EGAARO CCCOc1cc(Cl)c(CN2CCC[C@H]([NH3+])CC2)cc1OC ZINC000097301474 219011282 /nfs/dbraw/zinc/01/12/82/219011282.db2.gz RKFBGRLSYOEWDW-AWEZNQCLSA-N 1 0 326.868 3.451 50 0 EGAARO COc1cccc2c1OCC(C[NH+]1CCC(c3noc(C)n3)CC1)=C2 ZINC000097446890 219025271 /nfs/dbraw/zinc/02/52/71/219025271.db2.gz DROZRSFITXYDBJ-UHFFFAOYSA-N 1 0 341.411 3.042 50 0 EGAARO C[NH+]1CCC(CNC(=O)N(Cc2ccncc2)C2CCCCC2)CC1 ZINC000426536566 257964041 /nfs/dbraw/zinc/96/40/41/257964041.db2.gz VHQWANGZEWOCHV-UHFFFAOYSA-N 1 0 344.503 3.268 50 0 EGAARO COc1cc2c(cc1OC)C1=[N+](CC2)[C@@H](c2ccccc2)CC(=O)C1 ZINC000004090686 257927948 /nfs/dbraw/zinc/92/79/48/257927948.db2.gz WVBFROGIYXYRLF-GOSISDBHSA-N 1 0 336.411 3.166 50 0 biogenic EGAARO CO[C@]12CC[N@H+](Cc3cccc(OC(F)(F)F)c3)[C@H]1C[C@@H](O)CC2 ZINC000299772961 258084934 /nfs/dbraw/zinc/08/49/34/258084934.db2.gz BHBCBDYFUVOFIM-CWRNSKLLSA-N 1 0 345.361 3.090 50 0 EGAARO C[C@@H](C[NH+]1CCCC1)C(=O)NCc1cc(-c2ccccc2Cl)no1 ZINC000299772668 258085062 /nfs/dbraw/zinc/08/50/62/258085062.db2.gz ACOPFBPDQVVOGS-ZDUSSCGKSA-N 1 0 347.846 3.343 50 0 EGAARO CCn1ccc2ccc(C[N@@H+]3CC[C@]4(OC)CC[C@H](O)C[C@H]34)cc21 ZINC000299777602 258088014 /nfs/dbraw/zinc/08/80/14/258088014.db2.gz NRXIBTQETDPKSP-YSIASYRMSA-N 1 0 328.456 3.166 50 0 EGAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1Cc1ccc(F)cc1F ZINC000299785222 258092210 /nfs/dbraw/zinc/09/22/10/258092210.db2.gz QWIFQZHAWQYJGO-QGZVFWFLSA-N 1 0 345.393 3.031 50 0 EGAARO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1cccc(C)n1 ZINC000299789354 258095694 /nfs/dbraw/zinc/09/56/94/258095694.db2.gz XYPLRMHNVLDUBV-INIZCTEOSA-N 1 0 327.428 3.460 50 0 EGAARO c1ccc([C@@H]2C[C@H](c3noc(-c4cnccn4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299796386 258100416 /nfs/dbraw/zinc/10/04/16/258100416.db2.gz MPMXDDAOALHCPC-UAGQMJEPSA-N 1 0 333.395 3.220 50 0 EGAARO O=C(NCc1ccc2c(c1)CCCO2)c1ccc(C[NH+]2CCCC2)o1 ZINC000299798826 258102500 /nfs/dbraw/zinc/10/25/00/258102500.db2.gz STVNYXAILPNUQZ-UHFFFAOYSA-N 1 0 340.423 3.130 50 0 EGAARO C[C@@H](CC[N@H+]1CCC(=O)N(Cc2ccncc2)CC1)c1ccccc1 ZINC000299799196 258102833 /nfs/dbraw/zinc/10/28/33/258102833.db2.gz VQIBJCXXCUPTKD-SFHVURJKSA-N 1 0 337.467 3.310 50 0 EGAARO C[C@H](NC(=O)CC[NH+]1CCCCCCC1)c1nc2ccccc2[nH]1 ZINC000299768776 258082855 /nfs/dbraw/zinc/08/28/55/258082855.db2.gz MIZIALLXPGBSKP-HNNXBMFYSA-N 1 0 328.460 3.396 50 0 EGAARO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000000254833 135647701 /nfs/dbraw/zinc/64/77/01/135647701.db2.gz MKMCEMPVBAJXIM-UHFFFAOYSA-N 1 0 337.467 3.454 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@H](c3cccc(OC)c3OC)C2)cn1 ZINC000216230400 274109286 /nfs/dbraw/zinc/10/92/86/274109286.db2.gz AHVCJSOWFPAWBV-HNNXBMFYSA-N 1 0 328.412 3.097 50 0 EGAARO O=C1Nc2ccccc2NC12CC[NH+]([C@H]1CCc3ccccc3C1)CC2 ZINC000082121175 275026130 /nfs/dbraw/zinc/02/61/30/275026130.db2.gz CGHMOOSSNJJFIO-SFHVURJKSA-N 1 0 347.462 3.443 50 0 EGAARO CCOc1c(C[NH2+]C[C@H]2CCCO2)cc(Br)cc1OC ZINC000010474444 276367701 /nfs/dbraw/zinc/36/77/01/276367701.db2.gz ZVCXINNSQOBKSS-CYBMUJFWSA-N 1 0 344.249 3.125 50 0 EGAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(OC)cc1 ZINC000008970393 277310809 /nfs/dbraw/zinc/31/08/09/277310809.db2.gz XUXDLQWTVPDCFK-GOSISDBHSA-N 1 0 349.390 3.485 50 0 EGAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000049551021 454551757 /nfs/dbraw/zinc/55/17/57/454551757.db2.gz LQUHMOAPKGHIEW-NSHDSACASA-N 1 0 332.275 3.282 50 0 EGAARO Cc1nnsc1CN(C)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244858407 455276682 /nfs/dbraw/zinc/27/66/82/455276682.db2.gz VKONDAZKJSDGQR-UHFFFAOYSA-N 1 0 339.420 3.302 50 0 EGAARO CC[NH+](CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc21 ZINC000000131405 452515449 /nfs/dbraw/zinc/51/54/49/452515449.db2.gz WHJOKSDRDMWNHE-UHFFFAOYSA-N 1 0 330.409 3.288 50 0 EGAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000000236114 452544554 /nfs/dbraw/zinc/54/45/54/452544554.db2.gz RIQVFIPWZZGFRT-UHFFFAOYSA-N 1 0 330.472 3.310 50 0 EGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000000317558 452565014 /nfs/dbraw/zinc/56/50/14/452565014.db2.gz QKOCSTMKPTXHRH-MRXNPFEDSA-N 1 0 330.472 3.166 50 0 EGAARO COc1ccc([C@@H](C(=O)O[C@@H](C)C[NH+](C)C)c2ccccc2)cc1 ZINC000000453966 452597235 /nfs/dbraw/zinc/59/72/35/452597235.db2.gz AONWBQYJROPGGV-KXBFYZLASA-N 1 0 327.424 3.320 50 0 EGAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000002350593 452694780 /nfs/dbraw/zinc/69/47/80/452694780.db2.gz DLYQRWLWMDUTOY-UHFFFAOYSA-N 1 0 340.452 3.483 50 0 EGAARO Cc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000002966187 452736034 /nfs/dbraw/zinc/73/60/34/452736034.db2.gz QOYLVXWZWRIEAA-HXUWFJFHSA-N 1 0 325.407 3.394 50 0 EGAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000003105156 452745134 /nfs/dbraw/zinc/74/51/34/452745134.db2.gz RYSXWXFTZLRKEH-CRAIPNDOSA-N 1 0 327.424 3.370 50 0 EGAARO CC[NH+](CC)CCNc1ncnc2c1c(C)c(C)n2-c1cccnc1 ZINC000005346032 452861177 /nfs/dbraw/zinc/86/11/77/452861177.db2.gz MJZYSYCGUXJZKJ-UHFFFAOYSA-N 1 0 338.459 3.186 50 0 EGAARO CCOc1ccc2[nH]c3c(ncnc3NCC[NH+]3CCCCC3)c2c1 ZINC000005396092 452867550 /nfs/dbraw/zinc/86/75/50/452867550.db2.gz DFVWRJRLRKAYBE-UHFFFAOYSA-N 1 0 339.443 3.408 50 0 EGAARO C/C=C/c1ccc(OCC[NH+]2CCC(C(=O)OCC)CC2)c(OC)c1 ZINC000006703099 452973818 /nfs/dbraw/zinc/97/38/18/452973818.db2.gz XFISBCIUCHYQOI-GQCTYLIASA-N 1 0 347.455 3.382 50 0 EGAARO O=C(CSc1nnc(C2CC[NH2+]CC2)o1)c1ccc(Cl)cc1 ZINC000007997191 453146964 /nfs/dbraw/zinc/14/69/64/453146964.db2.gz QUWMQCCXIKJIEP-UHFFFAOYSA-N 1 0 337.832 3.165 50 0 EGAARO CCCn1ncc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1C ZINC000012594855 453381853 /nfs/dbraw/zinc/38/18/53/453381853.db2.gz RWYXDCCOALMJEW-UHFFFAOYSA-N 1 0 341.499 3.419 50 0 EGAARO CSC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000012710229 453392792 /nfs/dbraw/zinc/39/27/92/453392792.db2.gz GMDSBMSRXJSGPW-CQSZACIVSA-N 1 0 338.521 3.256 50 0 EGAARO CCOc1ccc([C@H]2C[C@@H](c3ccccc3C)N3[NH+]=C(N)NC3=N2)cc1 ZINC000013131748 453446256 /nfs/dbraw/zinc/44/62/56/453446256.db2.gz 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/nfs/dbraw/zinc/37/91/86/455379186.db2.gz UHXCWAVUIDAZDO-UHFFFAOYSA-N 1 0 337.414 3.125 50 0 EGAARO CCC[N@@H+]1CCCn2nc(CNC(=O)c3cc(C)c(C)s3)cc2C1 ZINC000082117187 453925434 /nfs/dbraw/zinc/92/54/34/453925434.db2.gz MUMBYDRKGCUEQC-UHFFFAOYSA-N 1 0 346.500 3.107 50 0 EGAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)NC3CCCC3)C2)cc1F ZINC000067642554 453952421 /nfs/dbraw/zinc/95/24/21/453952421.db2.gz DBLMGXFEUMZNIG-INIZCTEOSA-N 1 0 333.451 3.198 50 0 EGAARO CCc1cc(N2CCC[C@H](c3ncc[nH]3)C2)nc(N2CCCCC2)[nH+]1 ZINC000077320916 454091227 /nfs/dbraw/zinc/09/12/27/454091227.db2.gz CIBWBFQGJNFNTK-HNNXBMFYSA-N 1 0 340.475 3.136 50 0 EGAARO Cc1nccc(N2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)n1 ZINC000077455938 454107779 /nfs/dbraw/zinc/10/77/79/454107779.db2.gz RUWMFTKSOODPBP-LJQANCHMSA-N 1 0 330.476 3.040 50 0 EGAARO CCC(CC)[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077505987 454115078 /nfs/dbraw/zinc/11/50/78/454115078.db2.gz DYRVNHJMCXSKNC-HXUWFJFHSA-N 1 0 344.503 3.178 50 0 EGAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000077505047 454115204 /nfs/dbraw/zinc/11/52/04/454115204.db2.gz WALWRXQJQZINKT-GOSISDBHSA-N 1 0 348.454 3.180 50 0 EGAARO Nc1ncccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077565931 454124056 /nfs/dbraw/zinc/12/40/56/454124056.db2.gz XNYPDBAFTRFTQU-KRWDZBQOSA-N 1 0 347.466 3.357 50 0 EGAARO Fc1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000069804119 454146102 /nfs/dbraw/zinc/14/61/02/454146102.db2.gz IEOKCKPRAPJWQD-CQSZACIVSA-N 1 0 326.843 3.023 50 0 EGAARO COc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928903 454186476 /nfs/dbraw/zinc/18/64/76/454186476.db2.gz QGVLZCRVLPIFEN-UHFFFAOYSA-N 1 0 340.427 3.128 50 0 EGAARO CCCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071745274 454211827 /nfs/dbraw/zinc/21/18/27/454211827.db2.gz NTDHAJOGPDVBCI-CEWLAPEOSA-N 1 0 342.483 3.274 50 0 EGAARO COc1ccc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cc1O ZINC000071774720 454218185 /nfs/dbraw/zinc/21/81/85/454218185.db2.gz LPKQHJZJPXKNMY-GOSISDBHSA-N 1 0 332.488 3.343 50 0 EGAARO CSCc1nc(CC2CC[NH+](C)CC2)nn1-c1cccc(F)c1 ZINC000095500989 454222418 /nfs/dbraw/zinc/22/24/18/454222418.db2.gz YGFUFFKUVQGSBX-UHFFFAOYSA-N 1 0 334.464 3.154 50 0 EGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1ccc[nH]1 ZINC000095501317 454222874 /nfs/dbraw/zinc/22/28/74/454222874.db2.gz SCAZMDDSWPIFCA-UHFFFAOYSA-N 1 0 343.446 3.181 50 0 EGAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1cc[nH]c1 ZINC000095525819 454227483 /nfs/dbraw/zinc/22/74/83/454227483.db2.gz DIJOIJLWNSSZIM-UHFFFAOYSA-N 1 0 343.446 3.181 50 0 EGAARO COc1ccc([C@@H]2CN(C(=O)NC3CCCCC3)C[C@H]2[NH+](C)C)cc1 ZINC000095525782 454228102 /nfs/dbraw/zinc/22/81/02/454228102.db2.gz WSTIWJOPSFHUAT-RBUKOAKNSA-N 1 0 345.487 3.067 50 0 EGAARO Cc1ccc(S(=O)(=O)n2cc(C[NH+](C)C)c3ccccc32)cc1 ZINC000096027510 454264548 /nfs/dbraw/zinc/26/45/48/454264548.db2.gz ZVGLDKOJAVGFPA-UHFFFAOYSA-N 1 0 328.437 3.248 50 0 EGAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc3cc(C)oc32)C1 ZINC000096150468 454292538 /nfs/dbraw/zinc/29/25/38/454292538.db2.gz MWSILDKWIPNJDA-HNNXBMFYSA-N 1 0 345.443 3.221 50 0 EGAARO CCCOc1ccc(Cl)cc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000096164413 454297385 /nfs/dbraw/zinc/29/73/85/454297385.db2.gz WMNOWXBKAFJJGH-OAHLLOKOSA-N 1 0 336.863 3.135 50 0 EGAARO Cn1ccc2c1cccc2C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079193015 454380364 /nfs/dbraw/zinc/38/03/64/454380364.db2.gz OTNPOMCTGDFKFI-MAUKXSAKSA-N 1 0 325.456 3.173 50 0 biogenic EGAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000097117525 454413145 /nfs/dbraw/zinc/41/31/45/454413145.db2.gz LWSZDEHRMOLZAW-NRFANRHFSA-N 1 0 340.467 3.164 50 0 EGAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000097199351 454422080 /nfs/dbraw/zinc/42/20/80/454422080.db2.gz PLKZFDMLTQPXEE-ZDUSSCGKSA-N 1 0 340.402 3.344 50 0 EGAARO C[C@H](CC1CC1)[NH+]1CCC(n2cc(CN3CCCCCC3)nn2)CC1 ZINC000048101501 454443097 /nfs/dbraw/zinc/44/30/97/454443097.db2.gz VMNANOFXDXSJMM-QGZVFWFLSA-N 1 0 345.535 3.480 50 0 EGAARO c1ccc(C2(c3ccccc3)CCC[N@@H+](C[C@@H]3COCCO3)C2)cc1 ZINC000091655821 454454114 /nfs/dbraw/zinc/45/41/14/454454114.db2.gz CRDOBPRLVFBCJJ-OAQYLSRUSA-N 1 0 337.463 3.484 50 0 EGAARO CCOc1ccc([C@H](O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000065255252 454544182 /nfs/dbraw/zinc/54/41/82/454544182.db2.gz VNQJIHXVZNMLDK-HXUWFJFHSA-N 1 0 332.488 3.069 50 0 EGAARO Cc1ccc(NC2(C(=O)N(C)C[C@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000065381140 454556093 /nfs/dbraw/zinc/55/60/93/454556093.db2.gz MINZQGIUCRZRCR-KRWDZBQOSA-N 1 0 329.488 3.178 50 0 EGAARO CCc1nc(C)sc1CNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065396827 454559340 /nfs/dbraw/zinc/55/93/40/454559340.db2.gz IJSOTCTWOGECGU-UHFFFAOYSA-N 1 0 345.497 3.276 50 0 EGAARO OCc1ccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccnc4)c3)C2)o1 ZINC000065403804 454559980 /nfs/dbraw/zinc/55/99/80/454559980.db2.gz BVGINXMKLLVAFX-QGZVFWFLSA-N 1 0 335.407 3.218 50 0 EGAARO Cc1cc(C[C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[nH]n1 ZINC000065403997 454560300 /nfs/dbraw/zinc/56/03/00/454560300.db2.gz AYMLBNQABINBKO-AWEZNQCLSA-N 1 0 328.460 3.309 50 0 EGAARO C[C@@H](c1cccc(-c2cc3c(cc2C(N)=O)OCO3)c1)[NH+]1CCCC1 ZINC000065422638 454564135 /nfs/dbraw/zinc/56/41/35/454564135.db2.gz YGBBYJBTCSYZMR-ZDUSSCGKSA-N 1 0 338.407 3.338 50 0 EGAARO C[C@H]1CCCN(C(=O)CC[NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000065466589 454571292 /nfs/dbraw/zinc/57/12/92/454571292.db2.gz RTDYTPYVNCETFR-KRWDZBQOSA-N 1 0 342.483 3.230 50 0 EGAARO O=C(c1ccncc1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638369 454708123 /nfs/dbraw/zinc/70/81/23/454708123.db2.gz DLTHOCRRQVUWSB-VQTJNVASSA-N 1 0 335.451 3.351 50 0 EGAARO C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)n1cnc2ccccc21 ZINC000172418188 455152477 /nfs/dbraw/zinc/15/24/77/455152477.db2.gz NAFHMNOUIGEGAQ-MRXNPFEDSA-N 1 0 340.471 3.074 50 0 EGAARO CC(C)c1nnsc1CN(C)Cc1cc(-c2ccccn2)no1 ZINC000252482307 455808784 /nfs/dbraw/zinc/80/87/84/455808784.db2.gz DCTFYLPGEFLGNP-UHFFFAOYSA-N 1 0 329.429 3.344 50 0 EGAARO COc1ccc(CN(C)Cc2cc(C(N)=O)oc2C(C)(C)C)cc1 ZINC000252490444 455811902 /nfs/dbraw/zinc/81/19/02/455811902.db2.gz KTNBGYMWXNOUQX-UHFFFAOYSA-N 1 0 330.428 3.317 50 0 EGAARO Cn1ccc2cc(C[N@@H+]3CCC[C@H]3C(=O)N3CCCCC3)ccc21 ZINC000252504171 455816580 /nfs/dbraw/zinc/81/65/80/455816580.db2.gz VHWGFRLAXICOIJ-IBGZPJMESA-N 1 0 325.456 3.155 50 0 EGAARO COc1ccccc1OCCC[N@@H+]1CC[C@H](n2nc(C)cc2C)C1 ZINC000252510226 455818695 /nfs/dbraw/zinc/81/86/95/455818695.db2.gz ZFBZIVSJCXSGCG-KRWDZBQOSA-N 1 0 329.444 3.224 50 0 EGAARO OCC1(C[NH+]2CCCC2)CCN(Cc2ccc(Cl)c(F)c2)CC1 ZINC000222688375 456049403 /nfs/dbraw/zinc/04/94/03/456049403.db2.gz LWJVJJNRWQJTTG-UHFFFAOYSA-N 1 0 340.870 3.149 50 0 EGAARO Cc1cc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)on1 ZINC000223223379 456055276 /nfs/dbraw/zinc/05/52/76/456055276.db2.gz AZEGUICRJZBKIC-UHFFFAOYSA-N 1 0 340.345 3.485 50 0 EGAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)CCc1nc2ccccc2[nH]1 ZINC000223594978 456058941 /nfs/dbraw/zinc/05/89/41/456058941.db2.gz ZRLATSZQSGLPOL-UHFFFAOYSA-N 1 0 348.450 3.100 50 0 EGAARO Cc1ccc(F)c(CSc2nnc(C3CC[NH2+]CC3)n2C)c1F ZINC000426652163 457871295 /nfs/dbraw/zinc/87/12/95/457871295.db2.gz XPHPHDAVZKEAPI-UHFFFAOYSA-N 1 0 338.427 3.161 50 0 EGAARO Cc1oncc1C(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575618659 459986691 /nfs/dbraw/zinc/98/66/91/459986691.db2.gz ASTGINRRUFIFGT-OAHLLOKOSA-N 1 0 329.425 3.230 50 0 EGAARO COc1ccc(/C=C/C[N@@H+]2CCCC[C@H]2CCN2CCOCC2)cc1 ZINC000216270524 536595931 /nfs/dbraw/zinc/59/59/31/536595931.db2.gz XQEXSOKOAVLOAP-SGSXCFNPSA-N 1 0 344.499 3.285 50 0 EGAARO COc1ccc(/C=C/C[NH+]2CCC(Cc3noc(C)n3)CC2)cc1 ZINC000216274995 536596543 /nfs/dbraw/zinc/59/65/43/536596543.db2.gz YSNXZBKPERJYRT-ONEGZZNKSA-N 1 0 327.428 3.355 50 0 EGAARO O=C(CCC[NH+]1CCCC1)NCc1cc(-c2cccc(Cl)c2)no1 ZINC000219658132 547241780 /nfs/dbraw/zinc/24/17/80/547241780.db2.gz IEQPRTPFDUUDIN-UHFFFAOYSA-N 1 0 347.846 3.487 50 0 EGAARO CN(Cc1cnccc1Cl)CC1([NH+]2CCOCC2)CCCCC1 ZINC000670461046 548218965 /nfs/dbraw/zinc/21/89/65/548218965.db2.gz BCADLSTZOGLOAT-UHFFFAOYSA-N 1 0 337.895 3.202 50 0 EGAARO COc1ccc(-n2nc(C)nc2-c2ccc(C[NH+]3CCCC3)o2)cc1 ZINC000670465571 548220574 /nfs/dbraw/zinc/22/05/74/548220574.db2.gz OEZOHOGIDNKHIR-UHFFFAOYSA-N 1 0 338.411 3.440 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2CCCO)cc1F ZINC000012316748 1291131730 /nfs/dbraw/zinc/13/17/30/1291131730.db2.gz CFPWCHGSKOFOAJ-MRXNPFEDSA-N 1 0 347.434 3.351 50 0 EGAARO COCCN1CCC[C@]2(CC[N@H+](Cc3ccc(C(C)C)cc3)C2)C1=O ZINC000012302060 1291131836 /nfs/dbraw/zinc/13/18/36/1291131836.db2.gz VCQLLEXTCDDULZ-OAQYLSRUSA-N 1 0 344.499 3.271 50 0 EGAARO O=c1c2c(ncn1C1CCCC1)sc1c2CC[C@@H]([NH2+]C2CC2)C1 ZINC000019112257 1291191419 /nfs/dbraw/zinc/19/14/19/1291191419.db2.gz ZLGJRVRCIUAFBD-GFCCVEGCSA-N 1 0 329.469 3.182 50 0 EGAARO c1cc(-c2cn(C[C@H]3CCC[N@H+](Cc4ccccn4)C3)nn2)cs1 ZINC000023337240 1291234941 /nfs/dbraw/zinc/23/49/41/1291234941.db2.gz NJEVLVSLFCHTRR-HNNXBMFYSA-N 1 0 339.468 3.314 50 0 EGAARO CC(C)CC[N@@H+]1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000036385736 1291396736 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COc1ccc(-c2ncc(C[N@H+]3C[C@H]4CC[C@@H](C3)[C@H]4OC)cn2)cc1 ZINC000102682034 219221963 /nfs/dbraw/zinc/22/19/63/219221963.db2.gz SFHSZJRHFZVLCE-DZFIZOCASA-N 1 0 339.439 3.009 50 0 EGAARO Cc1noc(C)c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000067654123 215175608 /nfs/dbraw/zinc/17/56/08/215175608.db2.gz WJSPMKNYDYAANQ-SFHVURJKSA-N 1 0 341.455 3.160 50 0 EGAARO c1ccc(Cc2nc(CNC3CCC4(CC[NH2+]CC4)CC3)no2)cc1 ZINC000067697137 215189898 /nfs/dbraw/zinc/18/98/98/215189898.db2.gz NWWMHMMHDMXLIJ-UHFFFAOYSA-N 1 0 340.471 3.062 50 0 EGAARO O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067817340 215219963 /nfs/dbraw/zinc/21/99/63/215219963.db2.gz PDDYYZZCYQATJE-GOSISDBHSA-N 1 0 346.434 3.362 50 0 EGAARO CCCC[N@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067840308 215225849 /nfs/dbraw/zinc/22/58/49/215225849.db2.gz CQWKWDBVDFANST-NRFANRHFSA-N 1 0 346.515 3.395 50 0 EGAARO Cc1c2ccccc2[nH]c1C(=O)NC[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067849869 215230039 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339.439 3.221 50 0 EGAARO COc1ccc(C[N@@H+]2CCCN(Cc3ccccn3)CC2)c(C)c1C ZINC000215519549 241131955 /nfs/dbraw/zinc/13/19/55/241131955.db2.gz RKNZBNFAXMOMMD-UHFFFAOYSA-N 1 0 339.483 3.415 50 0 EGAARO CSc1ccc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)cc1 ZINC000020993043 212194756 /nfs/dbraw/zinc/19/47/56/212194756.db2.gz BRSPYIHZWZIYSG-SFHVURJKSA-N 1 0 336.545 3.323 50 0 EGAARO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000244690915 243057580 /nfs/dbraw/zinc/05/75/80/243057580.db2.gz IZIIKWZISMOQBO-SFHVURJKSA-N 1 0 349.438 3.134 50 0 EGAARO Cc1n[nH]c(C)c1CC[N@H+](C)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000244778750 243078729 /nfs/dbraw/zinc/07/87/29/243078729.db2.gz PVWNMPLYCJFATM-UHFFFAOYSA-N 1 0 328.460 3.146 50 0 EGAARO CCc1nccn1CC[N@@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000244773872 243079591 /nfs/dbraw/zinc/07/95/91/243079591.db2.gz PIEKXTYNQUUZFD-INIZCTEOSA-N 1 0 331.435 3.376 50 0 EGAARO Cc1nccc(C2CC[NH+](C[C@@H]3CC(c4ccccc4)=NO3)CC2)n1 ZINC000244884128 243097702 /nfs/dbraw/zinc/09/77/02/243097702.db2.gz YFWILBNUGXNMGN-SFHVURJKSA-N 1 0 336.439 3.158 50 0 EGAARO CC(C)Oc1ccc([C@H]([NH2+]CCCN2CCOCC2)C(C)C)cc1 ZINC000020714035 212161526 /nfs/dbraw/zinc/16/15/26/212161526.db2.gz DFVYHKUCLVMSHL-HXUWFJFHSA-N 1 0 334.504 3.483 50 0 EGAARO CCOc1ccc(CN2CC[N@H+](CC(C)(C)C)C[C@@H]2CCO)cc1 ZINC000020539119 212146109 /nfs/dbraw/zinc/14/61/09/212146109.db2.gz UOFRSORMUOCZPZ-SFHVURJKSA-N 1 0 334.504 3.000 50 0 EGAARO OCC[C@H]1CN(Cc2cccc3cnccc32)CC[N@@H+]1C1CCCC1 ZINC000020540718 212145819 /nfs/dbraw/zinc/14/58/19/212145819.db2.gz SPDYTIXLAOAVRK-FQEVSTJZSA-N 1 0 339.483 3.046 50 0 EGAARO CCc1nc2ccccc2n1CCC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000020537806 212144291 /nfs/dbraw/zinc/14/42/91/212144291.db2.gz VGEDPEOAXGIRAG-MRXNPFEDSA-N 1 0 329.488 3.472 50 0 EGAARO CCn1ccnc1CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000020149182 212106855 /nfs/dbraw/zinc/10/68/55/212106855.db2.gz CHYHXNVGQHSKEH-QGZVFWFLSA-N 1 0 330.451 3.139 50 0 EGAARO CCN(CC)CC[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000020112130 212102885 /nfs/dbraw/zinc/10/28/85/212102885.db2.gz IXWZZPQLSGSFEA-YAOJWGSESA-N 1 0 348.531 3.232 50 0 biogenic EGAARO O=C(NCc1ccco1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102738 212100384 /nfs/dbraw/zinc/10/03/84/212100384.db2.gz LOIVTQRAKDHCIL-UHFFFAOYSA-N 1 0 332.831 3.461 50 0 EGAARO CSc1ccc(CN2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019885204 212080101 /nfs/dbraw/zinc/08/01/01/212080101.db2.gz QYXUAMJTHQYQLW-HOTGVXAUSA-N 1 0 334.529 3.482 50 0 EGAARO COc1cc(OCc2ccccc2)ccc1CN1CC[NH+](C)CC1 ZINC000019835013 212073714 /nfs/dbraw/zinc/07/37/14/212073714.db2.gz FOCDINKMUVCQND-UHFFFAOYSA-N 1 0 326.440 3.022 50 0 EGAARO COc1ccc(OC)c(CN2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000019842215 212075332 /nfs/dbraw/zinc/07/53/32/212075332.db2.gz MSVGXDWYCVIKBZ-UHFFFAOYSA-N 1 0 332.488 3.400 50 0 EGAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000019840369 212074049 /nfs/dbraw/zinc/07/40/49/212074049.db2.gz YBKYVEHFDYWVGM-QGZVFWFLSA-N 1 0 342.414 3.309 50 0 EGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc(Cl)c3)C2=O)cc1 ZINC000019794565 212068771 /nfs/dbraw/zinc/06/87/71/212068771.db2.gz MHZNFDOUAHZSJJ-MRXNPFEDSA-N 1 0 328.799 3.070 50 0 EGAARO CCC[NH+]1CCC(N2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000019636083 212052871 /nfs/dbraw/zinc/05/28/71/212052871.db2.gz LDITZZXUUXBXMZ-RMKNXTFCSA-N 1 0 327.516 3.192 50 0 EGAARO Cn1cc(CC[N@H+](C)Cc2cn(C)nc2-c2cccc(Cl)c2)cn1 ZINC000019220961 212006243 /nfs/dbraw/zinc/00/62/43/212006243.db2.gz GOAKWBUJKREFNE-UHFFFAOYSA-N 1 0 343.862 3.149 50 0 EGAARO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2ccccc21 ZINC000079190278 217199920 /nfs/dbraw/zinc/19/99/20/217199920.db2.gz LGUQKRMIUZKWKL-FUHWJXTLSA-N 1 0 325.456 3.173 50 0 biogenic EGAARO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079191030 217200140 /nfs/dbraw/zinc/20/01/40/217200140.db2.gz NMAOABNYFXQXKE-MAUKXSAKSA-N 1 0 325.456 3.173 50 0 biogenic EGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000012459309 211388999 /nfs/dbraw/zinc/38/89/99/211388999.db2.gz LWNBQAGVUMXSAN-AWEZNQCLSA-N 1 0 345.418 3.001 50 0 EGAARO O=C(C[C@H]1CCc2ccccc21)N(Cc1cccnc1)C1CC[NH2+]CC1 ZINC000091452000 218007838 /nfs/dbraw/zinc/00/78/38/218007838.db2.gz JXGYWQHBECFMJJ-LJQANCHMSA-N 1 0 349.478 3.282 50 0 EGAARO c1ccc(CCc2nnc3n2CC[N@@H+](C[C@H]2CC=CCC2)CC3)cc1 ZINC000011842130 211255851 /nfs/dbraw/zinc/25/58/51/211255851.db2.gz HXRBBISUTIYSEO-IBGZPJMESA-N 1 0 336.483 3.278 50 0 EGAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1sc(C)nc1C)C2 ZINC000091644728 218038014 /nfs/dbraw/zinc/03/80/14/218038014.db2.gz XINMGUNGHNKMLI-IAGOWNOFSA-N 1 0 347.528 3.191 50 0 EGAARO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nnc(C4CC4)o2)C3)cc1 ZINC000091650244 218040027 /nfs/dbraw/zinc/04/00/27/218040027.db2.gz MCPSTNXDJJLRKC-FUHWJXTLSA-N 1 0 338.455 3.043 50 0 EGAARO CCc1oc(-c2nc(-c3ccc(C)nn3)no2)cc1C[NH+](CC)CC ZINC000092066682 218114142 /nfs/dbraw/zinc/11/41/42/218114142.db2.gz APMVMERZJYHZSM-UHFFFAOYSA-N 1 0 341.415 3.499 50 0 EGAARO O=C(COc1ccccc1Cl)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009531352 211099952 /nfs/dbraw/zinc/09/99/52/211099952.db2.gz LIJVINSXPPJQJP-OAHLLOKOSA-N 1 0 348.830 3.265 50 0 EGAARO CO[C@H](C[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)c1cccs1 ZINC000095371285 218303952 /nfs/dbraw/zinc/30/39/52/218303952.db2.gz QJBYIOWPFNTIDL-MRXNPFEDSA-N 1 0 332.400 3.206 50 0 EGAARO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCCC2(CCOCC2)C1 ZINC000095380459 218312368 /nfs/dbraw/zinc/31/23/68/218312368.db2.gz YBHJUYWYTMIYAH-LJQANCHMSA-N 1 0 342.483 3.186 50 0 EGAARO Cc1nccn1-c1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000095375751 218309066 /nfs/dbraw/zinc/30/90/66/218309066.db2.gz VTWFZNJUDQHZLR-GOSISDBHSA-N 1 0 340.471 3.061 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(F)ccc1-n1cccn1)C2 ZINC000095388682 218320373 /nfs/dbraw/zinc/32/03/73/218320373.db2.gz QYYGLFWHRRNROP-QFBILLFUSA-N 1 0 342.462 3.318 50 0 EGAARO CSc1ccccc1C(=O)[C@@H]1CCCN(c2cc(N)[nH+]c(C)n2)C1 ZINC000095389058 218320426 /nfs/dbraw/zinc/32/04/26/218320426.db2.gz QQSQPKXYTHQMCT-CYBMUJFWSA-N 1 0 342.468 3.188 50 0 EGAARO Cn1nc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c2c1cccc2Cl ZINC000095385574 218317010 /nfs/dbraw/zinc/31/70/10/218317010.db2.gz HOMFONZNNLDCDY-CYBMUJFWSA-N 1 0 348.878 3.107 50 0 EGAARO Cc1cc(-n2cccn2)ccc1C[NH+]1CCC(Cn2ccnc2)CC1 ZINC000097527348 219033340 /nfs/dbraw/zinc/03/33/40/219033340.db2.gz YRJVNXWUEDURPI-UHFFFAOYSA-N 1 0 335.455 3.289 50 0 EGAARO Cc1n[nH]c(CN2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c1Cl ZINC000097601046 219039608 /nfs/dbraw/zinc/03/96/08/219039608.db2.gz VGDRMORQVRDTDX-SJORKVTESA-N 1 0 344.890 3.468 50 0 EGAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000004746156 210269134 /nfs/dbraw/zinc/26/91/34/210269134.db2.gz CCDISHCCSBCXAE-NRFANRHFSA-N 1 0 334.463 3.484 50 0 EGAARO CCN(Cc1cnn(CC)c1)C(=O)c1cccc(-c2c[nH+]ccc2N)c1 ZINC000426701514 257958089 /nfs/dbraw/zinc/95/80/89/257958089.db2.gz XZHYUELFNKKHQP-UHFFFAOYSA-N 1 0 349.438 3.040 50 0 EGAARO CCc1ccccc1OCCN(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000426429858 257968463 /nfs/dbraw/zinc/96/84/63/257968463.db2.gz SLBHIMLFDJAGPV-SFHVURJKSA-N 1 0 347.503 3.144 50 0 EGAARO Cc1cnn(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1 ZINC000299780899 258089325 /nfs/dbraw/zinc/08/93/25/258089325.db2.gz CTYMQYXITXJZMV-KSZLIROESA-N 1 0 349.438 3.316 50 0 EGAARO Cn1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n1 ZINC000299794267 258099403 /nfs/dbraw/zinc/09/94/03/258099403.db2.gz IMAOUTKPEKYPGO-UAGQMJEPSA-N 1 0 335.411 3.163 50 0 EGAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccn2)N1Cc1c(F)cccc1F ZINC000299801149 258104375 /nfs/dbraw/zinc/10/43/75/258104375.db2.gz VAZFXEMATXGYEO-HNNXBMFYSA-N 1 0 345.393 3.031 50 0 EGAARO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2cc(Cl)cn2C)C1 ZINC000299756393 258075060 /nfs/dbraw/zinc/07/50/60/258075060.db2.gz HUBOLPPZKISNBY-HNNXBMFYSA-N 1 0 345.874 3.206 50 0 EGAARO O=C(Nc1ccc2c(c1)CCC2)N1CCC([NH+]2CCSCC2)CC1 ZINC000299757491 258075703 /nfs/dbraw/zinc/07/57/03/258075703.db2.gz KJBADMZQDPPFRV-UHFFFAOYSA-N 1 0 345.512 3.220 50 0 EGAARO COc1ccccc1/C=C/C[N@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000299767100 258081491 /nfs/dbraw/zinc/08/14/91/258081491.db2.gz CMXOPNAJWQKWRE-XVHGGAPTSA-N 1 0 331.456 3.367 50 0 EGAARO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000012660538 286188595 /nfs/dbraw/zinc/18/85/95/286188595.db2.gz VUJZEAKYGMRHEZ-HZPDHXFCSA-N 1 0 341.407 3.077 50 0 biogenic EGAARO CN(CC[NH+]1CCCC1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000112741264 162188406 /nfs/dbraw/zinc/18/84/06/162188406.db2.gz DNQKFUJSIFMTIK-GOSISDBHSA-N 1 0 327.428 3.106 50 0 EGAARO O[C@@H]1Cc2ccccc2C12CC[NH+](Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000072167267 275055068 /nfs/dbraw/zinc/05/50/68/275055068.db2.gz SMTQRUUNXZQMTM-HXUWFJFHSA-N 1 0 349.434 3.121 50 0 EGAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000016579913 275122370 /nfs/dbraw/zinc/12/23/70/275122370.db2.gz SXNGJMWXEALDTQ-HNNXBMFYSA-N 1 0 332.488 3.352 50 0 EGAARO CC[NH+](CC)C[C@H]1CCCN1Cc1cn(-c2ccccc2)nc1C ZINC000222265409 276109272 /nfs/dbraw/zinc/10/92/72/276109272.db2.gz XNSQLHFESUMOPO-HXUWFJFHSA-N 1 0 326.488 3.487 50 0 EGAARO CN1CCc2nc[nH]c2C12CC[NH+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000095527584 277187013 /nfs/dbraw/zinc/18/70/13/277187013.db2.gz GQKAPRBEBWFKME-IRXDYDNUSA-N 1 0 340.515 3.181 50 0 EGAARO COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000000057531 277902784 /nfs/dbraw/zinc/90/27/84/277902784.db2.gz YXWQTVWJNHKSCC-MRXNPFEDSA-N 1 0 343.423 3.151 50 0 biogenic,in-vitro EGAARO CSc1ccc(CC(=O)N2CCC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000020995105 278172438 /nfs/dbraw/zinc/17/24/38/278172438.db2.gz NLWXQXPJXIABIM-QGZVFWFLSA-N 1 0 332.513 3.285 50 0 EGAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(-c4ccccc4)nc3c12 ZINC000006719678 280223868 /nfs/dbraw/zinc/22/38/68/280223868.db2.gz XJNGQBIZDYWIMW-UHFFFAOYSA-N 1 0 348.454 3.315 50 0 EGAARO C[C@@H]1C[C@@H](C)C[NH+](CCn2cnc3sc4c(c3c2=O)CCCC4)C1 ZINC000032561733 297227929 /nfs/dbraw/zinc/22/79/29/297227929.db2.gz BBWQQMFMMWCJER-ZIAGYGMSSA-N 1 0 345.512 3.315 50 0 EGAARO c1nc2ccccc2n1CC[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000244795809 455276897 /nfs/dbraw/zinc/27/68/97/455276897.db2.gz ROBWNOLACURUHS-SFHVURJKSA-N 1 0 336.439 3.113 50 0 EGAARO OC1(c2ccc(Br)cc2)CC[NH+]([C@@H]2CCSC2)CC1 ZINC000000219997 452541250 /nfs/dbraw/zinc/54/12/50/452541250.db2.gz FMVKBHPBFSVUJR-CQSZACIVSA-N 1 0 342.302 3.238 50 0 EGAARO COc1cc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc(OC)c1 ZINC000000256829 452548395 /nfs/dbraw/zinc/54/83/95/452548395.db2.gz KNVSBTYKAKVYIE-UHFFFAOYSA-N 1 0 340.423 3.091 50 0 EGAARO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000000317257 452562566 /nfs/dbraw/zinc/56/25/66/452562566.db2.gz BIVZYJAPZONUDV-UHFFFAOYSA-N 1 0 336.501 3.024 50 0 EGAARO CN(C)C(=O)Oc1cccc(-c2c[n+]3cc(Cl)ccc3n2C)c1 ZINC000000387377 452578434 /nfs/dbraw/zinc/57/84/34/452578434.db2.gz FHYHHCVHIRLFBQ-UHFFFAOYSA-N 1 0 330.795 3.145 50 0 EGAARO COc1ccc2[nH]c3c(ncn(CC[NH+](C(C)C)C(C)C)c3=O)c2c1 ZINC000000503644 452607703 /nfs/dbraw/zinc/60/77/03/452607703.db2.gz VKGXTLVSDIWTBF-UHFFFAOYSA-N 1 0 342.443 3.005 50 0 EGAARO CC[NH+](CC)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002459130 452697712 /nfs/dbraw/zinc/69/77/12/452697712.db2.gz VQXHXCBYFGPRMT-HOTGVXAUSA-N 1 0 344.908 3.271 50 0 EGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccccc2Br)C1 ZINC000002696124 452715114 /nfs/dbraw/zinc/71/51/14/452715114.db2.gz HCWOSQRJLHEQOL-MGPQQGTHSA-N 1 0 342.277 3.167 50 0 EGAARO Cc1ccc([C@@H](CC(=O)NCC[NH+](C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005348225 452862846 /nfs/dbraw/zinc/86/28/46/452862846.db2.gz NPNUTSYTZRGBMM-RTBURBONSA-N 1 0 346.515 3.352 50 0 EGAARO Cc1cc(C)cc(N2C(=N)NC(=[NH2+])N[C@H]2c2cccc(Cl)c2)c1 ZINC000006785881 452987699 /nfs/dbraw/zinc/98/76/99/452987699.db2.gz KAWRECNOSIGRKM-OAHLLOKOSA-N 1 0 327.819 3.105 50 0 EGAARO CCOc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000007039831 453020815 /nfs/dbraw/zinc/02/08/15/453020815.db2.gz SGDXBYFWSPTNIN-UHFFFAOYSA-N 1 0 338.451 3.480 50 0 EGAARO O=C(c1cccnc1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012588833 453379434 /nfs/dbraw/zinc/37/94/34/453379434.db2.gz UXWLLNWAGKIWDS-QFIPXVFZSA-N 1 0 349.478 3.252 50 0 EGAARO COC[C@H]1CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012761593 453400358 /nfs/dbraw/zinc/40/03/58/453400358.db2.gz WZPHZDSSMPKPNE-NSHDSACASA-N 1 0 341.333 3.224 50 0 EGAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000014957985 453549233 /nfs/dbraw/zinc/54/92/33/453549233.db2.gz UXBAGTOJJWMSPV-LJQANCHMSA-N 1 0 349.434 3.115 50 0 EGAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1)N1CCCC1 ZINC000014953716 453549474 /nfs/dbraw/zinc/54/94/74/453549474.db2.gz JYCYIRIQAVIXMQ-MRXNPFEDSA-N 1 0 344.455 3.030 50 0 EGAARO C[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000015064756 453552868 /nfs/dbraw/zinc/55/28/68/453552868.db2.gz QXGDOLIFKZDFKM-UHFFFAOYSA-N 1 0 336.863 3.485 50 0 EGAARO COc1ccc(-c2nc(C[NH+]3CCC(OC)CC3)c(C)o2)cc1OC ZINC000015074874 453554261 /nfs/dbraw/zinc/55/42/61/453554261.db2.gz MJQNCRAOHJCMJW-UHFFFAOYSA-N 1 0 346.427 3.278 50 0 EGAARO CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCCC3)C2=O)cc1 ZINC000018137211 453645039 /nfs/dbraw/zinc/64/50/39/453645039.db2.gz SQSCYMPIEOYBBS-QGZVFWFLSA-N 1 0 330.428 3.030 50 0 EGAARO CCCC[NH2+]CCC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000019927519 453660977 /nfs/dbraw/zinc/66/09/77/453660977.db2.gz WNOWBPFPSDKKLV-UHFFFAOYSA-N 1 0 329.444 3.314 50 0 EGAARO c1coc(-c2ccc(N3CCC([NH2+]CCc4c[nH]cn4)CC3)cc2)c1 ZINC000023543384 453713441 /nfs/dbraw/zinc/71/34/41/453713441.db2.gz HROWGOVYCOYOTP-UHFFFAOYSA-N 1 0 336.439 3.471 50 0 EGAARO Ic1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042772975 454025126 /nfs/dbraw/zinc/02/51/26/454025126.db2.gz CQJLCGDNQSGPTE-NSHDSACASA-N 1 0 331.197 3.060 50 0 EGAARO Cc1cnc(CN2C[C@]3(CCC[N@@H+](CCC(C)C)C3)CCC2=O)cn1 ZINC000077285056 454085586 /nfs/dbraw/zinc/08/55/86/454085586.db2.gz 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C[NH+](C)C1(CNC(=O)c2cccc(-c3ccccc3)c2)CCOCC1 ZINC000220300875 456039167 /nfs/dbraw/zinc/03/91/67/456039167.db2.gz UQNXCVWLHFBBBS-UHFFFAOYSA-N 1 0 338.451 3.194 50 0 EGAARO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000299772644 456779808 /nfs/dbraw/zinc/77/98/08/456779808.db2.gz AOVSKQBTYOKMDY-LBPRGKRZSA-N 1 0 343.381 3.458 50 0 EGAARO Cc1ccccc1CC1(NC(=O)c2ccc(C)c(OCC[NH3+])c2)CC1 ZINC000426412400 457824885 /nfs/dbraw/zinc/82/48/85/457824885.db2.gz QQUGNWRNZPBLJC-UHFFFAOYSA-N 1 0 338.451 3.146 50 0 EGAARO c1ccc(C[NH+]2CCC(Nc3cc([C@@H]4CCOC4)ncn3)CC2)cc1 ZINC000426436560 457829442 /nfs/dbraw/zinc/82/94/42/457829442.db2.gz NIPCWCSGAKORSH-QGZVFWFLSA-N 1 0 338.455 3.057 50 0 EGAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1cccc2cccnc21 ZINC000426493259 457841910 /nfs/dbraw/zinc/84/19/10/457841910.db2.gz SIUPQIUFFJFPKM-SFHVURJKSA-N 1 0 340.471 3.251 50 0 EGAARO [NH3+]C[C@@H]1CCCCN1C(=O)NCC1(c2ccccc2)CCCCC1 ZINC000426508160 457845395 /nfs/dbraw/zinc/84/53/95/457845395.db2.gz 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/nfs/dbraw/zinc/08/87/97/1296088797.db2.gz MSPKZHYFOOBRTH-JOCHJYFZSA-N 1 0 348.490 3.165 50 0 EGAARO CC(C)c1ccc(C(=O)NCCCC[NH+]2CCCCCC2)c(=O)[nH]1 ZINC000822259414 1320064810 /nfs/dbraw/zinc/06/48/10/1320064810.db2.gz PUYYHHVLJWDWCP-UHFFFAOYSA-N 1 0 333.476 3.297 50 0 EGAARO CN(C)Cc1nc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000823719891 1320201120 /nfs/dbraw/zinc/20/11/20/1320201120.db2.gz YARMNOBAVOUEIX-UHFFFAOYSA-N 1 0 344.484 3.053 50 0 EGAARO C[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1)C1=CCCCC1 ZINC000823792649 1320207085 /nfs/dbraw/zinc/20/70/85/1320207085.db2.gz BDLZPXXBSUXEHG-INIZCTEOSA-N 1 0 327.472 3.057 50 0 EGAARO CO[C@@H](CNC(=O)C1([NH+]2CCCC2)CCCCC1)c1cccs1 ZINC000824256495 1320242656 /nfs/dbraw/zinc/24/26/56/1320242656.db2.gz NXWOZJBQLDZVOF-HNNXBMFYSA-N 1 0 336.501 3.351 50 0 EGAARO Cc1nc([C@@H]2CCC[C@H]([NH3+])C2)n(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000827541567 1320459562 /nfs/dbraw/zinc/45/95/62/1320459562.db2.gz UHKLCGYIKOFWSM-NEPJUHHUSA-N 1 0 340.349 3.459 50 0 EGAARO 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CC(C)N1C[C@@H](C[NH+]2CCC(Oc3ccccc3F)CC2)CCC1=O ZINC001772819677 1441417797 /nfs/dbraw/zinc/41/77/97/1441417797.db2.gz ZDIOWKGSUXAKCW-MRXNPFEDSA-N 1 0 348.462 3.316 50 0 EGAARO COc1ccc(OC)c(CN2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000004745648 210266731 /nfs/dbraw/zinc/26/67/31/210266731.db2.gz FJQPONIXXJOYOL-MRXNPFEDSA-N 1 0 332.488 3.400 50 0 EGAARO COCCc1ncc(C[N@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000097696124 219048521 /nfs/dbraw/zinc/04/85/21/219048521.db2.gz KNSMSJCMYWIBSF-OAQYLSRUSA-N 1 0 339.483 3.465 50 0 EGAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)n1 ZINC000097742793 219052299 /nfs/dbraw/zinc/05/22/99/219052299.db2.gz XSRDEUJCSWVGOY-CQSZACIVSA-N 1 0 327.457 3.399 50 0 EGAARO CCOCc1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)ccc1OC ZINC000097742583 219052984 /nfs/dbraw/zinc/05/29/84/219052984.db2.gz PKWSMHKSESCACZ-QGZVFWFLSA-N 1 0 341.455 3.401 50 0 EGAARO CC[NH+](CC)CCCNC(=O)COc1ccc(Cl)cc1Cl ZINC000004696129 210250067 /nfs/dbraw/zinc/25/00/67/210250067.db2.gz 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CCC[N@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067954740 215259220 /nfs/dbraw/zinc/25/92/20/215259220.db2.gz OUIHLOIMANCAAE-FQEVSTJZSA-N 1 0 332.488 3.005 50 0 EGAARO CC(C)C[N@@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1CCO ZINC000104438322 219387575 /nfs/dbraw/zinc/38/75/75/219387575.db2.gz WTNNZFCCPAZUPX-MRXNPFEDSA-N 1 0 328.859 3.004 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000069347944 215382067 /nfs/dbraw/zinc/38/20/67/215382067.db2.gz UKCKKXRUHBCARY-ARFHVFGLSA-N 1 0 328.412 3.238 50 0 EGAARO CCOc1ccccc1CN1CC[N@H+](CC(C)(C)C)C[C@H]1CCO ZINC000104516494 219391019 /nfs/dbraw/zinc/39/10/19/219391019.db2.gz BPSDJOVEBOTWGX-GOSISDBHSA-N 1 0 334.504 3.000 50 0 EGAARO C[C@H]1C[C@H](C)C[NH+](CCn2cnc3sc4c(c3c2=O)CCCC4)C1 ZINC000032561735 291114796 /nfs/dbraw/zinc/11/47/96/291114796.db2.gz BBWQQMFMMWCJER-KBPBESRZSA-N 1 0 345.512 3.315 50 0 EGAARO C[NH+](C)CCCNC(=O)c1cc2occc2n1Cc1ccccc1F ZINC000036359576 213089407 /nfs/dbraw/zinc/08/94/07/213089407.db2.gz 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216049327 /nfs/dbraw/zinc/04/93/27/216049327.db2.gz DRHMZBISGZIERZ-RCCFBDPRSA-N 1 0 338.455 3.260 50 0 EGAARO CC(C)=CC[N@@H+]1CCN(c2nc3ccccc3s2)C[C@@H]1CCO ZINC000072424266 216212853 /nfs/dbraw/zinc/21/28/53/216212853.db2.gz OCJOUNSFLZFCQE-HNNXBMFYSA-N 1 0 331.485 3.136 50 0 EGAARO Cc1cc2nc(-c3ccccc3)cc(N(C)C[C@@]3(C)CC[N@H+](C)C3)n2n1 ZINC000072433909 216228173 /nfs/dbraw/zinc/22/81/73/216228173.db2.gz MYGYWWCFCQDDJC-NRFANRHFSA-N 1 0 349.482 3.483 50 0 EGAARO CN1CC2(CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)OC1=O ZINC000072479778 216258367 /nfs/dbraw/zinc/25/83/67/216258367.db2.gz VCMUFKMSAAHEKE-UHFFFAOYSA-N 1 0 337.423 3.165 50 0 EGAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)c1ccccc1OC(F)F ZINC000072479867 216260131 /nfs/dbraw/zinc/26/01/31/216260131.db2.gz PBGKGAGMTOBAKG-ZDUSSCGKSA-N 1 0 326.387 3.234 50 0 EGAARO CSCC[NH+]1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1 ZINC000215008108 241098913 /nfs/dbraw/zinc/09/89/13/241098913.db2.gz GRLTXIUBEFNVJY-UHFFFAOYSA-N 1 0 335.904 3.369 50 0 EGAARO COc1cc(OC)c(CN2CCCC[C@@H]2C[NH+]2CCCC2)c(OC)c1 ZINC000215340013 241121280 /nfs/dbraw/zinc/12/12/80/241121280.db2.gz DYGKSQQVMJNCKT-MRXNPFEDSA-N 1 0 348.487 3.163 50 0 EGAARO COCCc1noc([C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000215141501 241106957 /nfs/dbraw/zinc/10/69/57/241106957.db2.gz FUVFCTRLNRVATE-OAHLLOKOSA-N 1 0 341.411 3.384 50 0 EGAARO CC(C)Cn1c2ccccc2nc1C[N@H+](C)CCc1cnn(C)c1 ZINC000215308444 241116899 /nfs/dbraw/zinc/11/68/99/241116899.db2.gz HKGGCDMNWJWRTD-UHFFFAOYSA-N 1 0 325.460 3.100 50 0 EGAARO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000216171521 241172595 /nfs/dbraw/zinc/17/25/95/241172595.db2.gz XIRDHCDCXQVTNN-FQEVSTJZSA-N 1 0 338.451 3.019 50 0 EGAARO COc1cc(Cl)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1OC ZINC000215403367 241122440 /nfs/dbraw/zinc/12/24/40/241122440.db2.gz GGDPICWHAZOEBR-UHFFFAOYSA-N 1 0 335.835 3.460 50 0 EGAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cnoc1-c1ccccc1 ZINC000215477398 241129098 /nfs/dbraw/zinc/12/90/98/241129098.db2.gz IHWHQANBLKWUOC-SFHVURJKSA-N 1 0 347.418 3.346 50 0 EGAARO Cc1cc(C)n(-c2cccc(C[N@@H+](C)CCCc3nccn3C)c2)n1 ZINC000215640296 241137105 /nfs/dbraw/zinc/13/71/05/241137105.db2.gz ZCQRAIYEZATYNJ-UHFFFAOYSA-N 1 0 337.471 3.287 50 0 EGAARO Cc1ccc(NC(=O)CCN2CC([N@H+]3CCCC[C@H]3C)C2)cc1F ZINC000243932071 243033388 /nfs/dbraw/zinc/03/33/88/243033388.db2.gz BSCVUOSCDWMMRQ-OAHLLOKOSA-N 1 0 333.451 3.021 50 0 EGAARO C[C@H](Cc1cccnc1)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000020775470 212169910 /nfs/dbraw/zinc/16/99/10/212169910.db2.gz IKONYADKVIYWKW-GFCCVEGCSA-N 1 0 328.366 3.471 50 0 EGAARO O=C(COc1ccc2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000019831430 212072884 /nfs/dbraw/zinc/07/28/84/212072884.db2.gz BZLNDERTLMRMRA-UHFFFAOYSA-N 1 0 338.451 3.305 50 0 EGAARO COc1cc(Cl)cc(CN2CC[NH+](C3CCCC3)CC2)c1OC ZINC000019641670 212053567 /nfs/dbraw/zinc/05/35/67/212053567.db2.gz RFOYYNFZCJSJDG-UHFFFAOYSA-N 1 0 338.879 3.417 50 0 EGAARO CCOc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000019532067 212039776 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C[N@H+](C[C@H]1CCCN(CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443850 211385173 /nfs/dbraw/zinc/38/51/73/211385173.db2.gz XQMQHTCWFFLZNV-QGZVFWFLSA-N 1 0 336.495 3.031 50 0 EGAARO CCN(Cc1ncc[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012433226 211379266 /nfs/dbraw/zinc/37/92/66/211379266.db2.gz IWDRKADXVDJYPN-GOSISDBHSA-N 1 0 344.478 3.325 50 0 EGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000012377665 211360656 /nfs/dbraw/zinc/36/06/56/211360656.db2.gz BEXFKBNLQVOIOG-HLLBOEOZSA-N 1 0 341.879 3.074 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)c2ccccc2Br)CC1 ZINC000012382554 211363605 /nfs/dbraw/zinc/36/36/05/211363605.db2.gz QSTCIQDJOBAUNB-UHFFFAOYSA-N 1 0 325.250 3.052 50 0 EGAARO O=C1N(CC2CCCCC2)CCC[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000012320864 211345637 /nfs/dbraw/zinc/34/56/37/211345637.db2.gz SPJPJTAEGJOEMZ-OAQYLSRUSA-N 1 0 341.499 3.476 50 0 EGAARO COCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000012205671 211319673 /nfs/dbraw/zinc/31/96/73/211319673.db2.gz 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CC(C)=CC[NH+]1CCC(c2nnc(CN3CCCC3)n2C2CC2)CC1 ZINC000096136471 454291153 /nfs/dbraw/zinc/29/11/53/454291153.db2.gz ALMCHFZKPYLLPN-UHFFFAOYSA-N 1 0 343.519 3.354 50 0 EGAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)c1cccc2ccccc21 ZINC000090699902 454336439 /nfs/dbraw/zinc/33/64/39/454336439.db2.gz QUAMLUSFJIDSFI-MRXNPFEDSA-N 1 0 328.481 3.349 50 0 EGAARO CCCc1nc(C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)cs1 ZINC000091288952 454423126 /nfs/dbraw/zinc/42/31/26/454423126.db2.gz HAHIBPZHKJBMBU-UHFFFAOYSA-N 1 0 344.484 3.152 50 0 EGAARO CCC[C@H]1CN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C[C@@H]1[NH3+] ZINC000091320256 454425994 /nfs/dbraw/zinc/42/59/94/454425994.db2.gz FBUYXEHLEFJNDH-HOCLYGCPSA-N 1 0 335.879 3.140 50 0 EGAARO COCC[NH+]1CCC(C(=O)N2CCCCC[C@@H]2c2ccco2)CC1 ZINC000097785596 454446529 /nfs/dbraw/zinc/44/65/29/454446529.db2.gz BUPCGPOUOJQEOD-QGZVFWFLSA-N 1 0 334.460 3.082 50 0 EGAARO Cc1cc(-n2nc(-c3ccccc3)nc2CCN2CCCCO2)cc[nH+]1 ZINC000063868465 454457725 /nfs/dbraw/zinc/45/77/25/454457725.db2.gz 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/nfs/dbraw/zinc/04/36/32/456043632.db2.gz TZMWRNRFGMZOCS-PKOBYXMFSA-N 1 0 342.414 3.116 50 0 EGAARO O=C1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CCN1CC1CC1 ZINC000299774696 456780767 /nfs/dbraw/zinc/78/07/67/456780767.db2.gz ISQGVJPJCFFIRA-UHFFFAOYSA-N 1 0 342.361 3.030 50 0 EGAARO Cc1cc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)on1 ZINC000299774727 456781233 /nfs/dbraw/zinc/78/12/33/456781233.db2.gz FXECVHGBGKOWPA-OTWHNJEPSA-N 1 0 339.439 3.167 50 0 EGAARO COCCC[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+](C)C ZINC000426421010 457827682 /nfs/dbraw/zinc/82/76/82/457827682.db2.gz BEODNFIUNUOONR-IBGZPJMESA-N 1 0 347.503 3.239 50 0 EGAARO CO[C@]12CC[N@H+](Cc3nc(C)ccc3O)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426474204 457836969 /nfs/dbraw/zinc/83/69/69/457836969.db2.gz HOMCIINKKNPYAN-LSTHTHJFSA-N 1 0 346.471 3.034 50 0 EGAARO OCCn1ccc([C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000426486105 457840313 /nfs/dbraw/zinc/84/03/13/457840313.db2.gz XVZUDWBHOANZSF-MRXNPFEDSA-N 1 0 325.412 3.001 50 0 EGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cccc(F)c2O)cc1 ZINC000426519277 457847533 /nfs/dbraw/zinc/84/75/33/457847533.db2.gz POPAYTBPAWTFQO-MRXNPFEDSA-N 1 0 342.414 3.412 50 0 EGAARO CC[C@@H](NC(=O)c1ccc(C)c(OCC[NH3+])c1)c1nc(C)c(C)s1 ZINC000426534083 457850749 /nfs/dbraw/zinc/85/07/49/457850749.db2.gz RAPATGXLNAFWBJ-OAHLLOKOSA-N 1 0 347.484 3.287 50 0 EGAARO Cc1nc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)no1 ZINC000426551753 457854788 /nfs/dbraw/zinc/85/47/88/457854788.db2.gz DWLQREXBFFORBQ-SFHVURJKSA-N 1 0 330.407 3.010 50 0 EGAARO CN(Cc1cnc(-c2ccccc2)s1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000534648625 459341409 /nfs/dbraw/zinc/34/14/09/459341409.db2.gz LTASVOAGULFHSZ-HNNXBMFYSA-N 1 0 344.484 3.046 50 0 EGAARO COc1cc(C(=O)NC(C)(C)C[NH+](C)C)c(Cl)cc1OC(C)C ZINC000534647952 459341626 /nfs/dbraw/zinc/34/16/26/459341626.db2.gz AIKTVFHRUNJNKW-UHFFFAOYSA-N 1 0 342.867 3.206 50 0 EGAARO C[C@H](NC(=O)N(C)Cc1ccccc1C[NH+]1CCCC1)C(F)(F)F ZINC000534671586 459344640 /nfs/dbraw/zinc/34/46/40/459344640.db2.gz LHJLSVORBNKKNU-ZDUSSCGKSA-N 1 0 343.393 3.375 50 0 EGAARO COc1c(N)cc[nH+]c1-c1ccc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000584903441 459821397 /nfs/dbraw/zinc/82/13/97/459821397.db2.gz CBMCPWCKTWDGJD-CALCHBBNSA-N 1 0 349.434 3.378 50 0 EGAARO COCCCCCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091289554 523108407 /nfs/dbraw/zinc/10/84/07/523108407.db2.gz IYZFCBWEOATIBC-WOJBJXKFSA-N 1 0 344.499 3.316 50 0 EGAARO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)C1CC(O)C1 ZINC000222561822 535800259 /nfs/dbraw/zinc/80/02/59/535800259.db2.gz DGFBMEODVQQPBW-SOAGJPPSSA-N 1 0 344.499 3.342 50 0 EGAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1cnc2ccccn12 ZINC000244763789 536307665 /nfs/dbraw/zinc/30/76/65/536307665.db2.gz OVQSBAZRZRCFPC-UHFFFAOYSA-N 1 0 342.830 3.448 50 0 EGAARO CCCn1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(C)n1 ZINC000670460731 548219043 /nfs/dbraw/zinc/21/90/43/548219043.db2.gz VRZBZVYPEABQLU-INIZCTEOSA-N 1 0 338.459 3.024 50 0 EGAARO COc1ccc(-c2noc(C(C)(C)n3cnc(C)c3)n2)cc1OC 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Cc1ccc(Cc2nn3c(nnc3[C@@H]3CCC[N@@H+](C)C3)s2)cc1C ZINC000951727074 1334308433 /nfs/dbraw/zinc/30/84/33/1334308433.db2.gz YOFXRDYTYGEHHF-OAHLLOKOSA-N 1 0 341.484 3.203 50 0 EGAARO CCCOc1ccc(NC(=O)[C@H]2CC[N@H+](CCOC)C2)cc1Cl ZINC000952872909 1334584810 /nfs/dbraw/zinc/58/48/10/1334584810.db2.gz RKDGXQYZUSKSJX-ZDUSSCGKSA-N 1 0 340.851 3.036 50 0 EGAARO c1cn(-c2ccccc2C[NH2+]Cc2cnc(N3CCCC3)s2)cn1 ZINC000952960225 1334625232 /nfs/dbraw/zinc/62/52/32/1334625232.db2.gz NWSILXHJUVEBGF-UHFFFAOYSA-N 1 0 339.468 3.219 50 0 EGAARO Cc1cc([C@H]2CCCN2C(=O)c2ccc(C[NH+]3CCCC3)o2)on1 ZINC000952968874 1334626823 /nfs/dbraw/zinc/62/68/23/1334626823.db2.gz PYWNLTMQEWZTTC-OAHLLOKOSA-N 1 0 329.400 3.149 50 0 EGAARO CCCn1nc(COc2ccc(F)cc2)nc1[C@@H]1CC12CC[NH2+]CC2 ZINC000952973301 1334627977 /nfs/dbraw/zinc/62/79/77/1334627977.db2.gz CEPPYJAEZLYFJR-INIZCTEOSA-N 1 0 344.434 3.263 50 0 EGAARO OC[C@H]1CCCCN1CC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000952980323 1334629080 /nfs/dbraw/zinc/62/90/80/1334629080.db2.gz 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CN(C(=O)c1cnc2c(c1)CCCC2)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097631937 219042880 /nfs/dbraw/zinc/04/28/80/219042880.db2.gz KBNPNDIQAQCPMC-HXUWFJFHSA-N 1 0 337.467 3.335 50 0 EGAARO Cc1ccc(-c2ccc(NC(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)cc1 ZINC000097679944 219047175 /nfs/dbraw/zinc/04/71/75/219047175.db2.gz LSQVPYMLYSBTPQ-WMZOPIPTSA-N 1 0 327.403 3.484 50 0 EGAARO O=C(C1CC[NH+](C2CCCCC2)CC1)N1CC(c2ccccn2)C1 ZINC000097743247 219053585 /nfs/dbraw/zinc/05/35/85/219053585.db2.gz KBXLFQRKNQJVLP-UHFFFAOYSA-N 1 0 327.472 3.052 50 0 EGAARO Cc1nc2c(nc(C)nc2NC[C@H](c2ccccc2C)[NH+](C)C)o1 ZINC000055118727 214275153 /nfs/dbraw/zinc/27/51/53/214275153.db2.gz ITMUMPDWZOFYFL-OAHLLOKOSA-N 1 0 325.416 3.258 50 0 EGAARO C[NH2+][C@@H](C)C(=O)N(Cc1cccc(C)c1)Cc1ccccc1OC ZINC000055120230 214275691 /nfs/dbraw/zinc/27/56/91/214275691.db2.gz BMKDNUKHXHUQPE-INIZCTEOSA-N 1 0 326.440 3.140 50 0 EGAARO CCc1oc(C(=O)NCCc2ccc(O)cc2)cc1C[NH+](CC)CC ZINC000055309968 214305770 /nfs/dbraw/zinc/30/57/70/214305770.db2.gz 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/nfs/dbraw/zinc/18/38/97/215183897.db2.gz FJQUWBCNHGVJMA-GOSISDBHSA-N 1 0 338.455 3.424 50 0 EGAARO COc1ccc(Cl)cc1CN(C)c1cc([C@@H]2CCC[NH2+]C2)ncn1 ZINC000067754435 215203148 /nfs/dbraw/zinc/20/31/48/215203148.db2.gz PRPVFWHMAFMVMQ-CYBMUJFWSA-N 1 0 346.862 3.242 50 0 EGAARO C[C@H](O)C[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067818757 215221012 /nfs/dbraw/zinc/22/10/12/215221012.db2.gz NXQNDOQDAVRJHN-HNNXBMFYSA-N 1 0 333.435 3.483 50 0 EGAARO CNc1ncc(CN(C)Cc2nc(-c3sccc3C)oc2C)cn1 ZINC000067966319 215262737 /nfs/dbraw/zinc/26/27/37/215262737.db2.gz HACNUIHACVYZPA-UHFFFAOYSA-N 1 0 343.456 3.484 50 0 EGAARO C[C@H](CCc1ccco1)Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067948025 215258065 /nfs/dbraw/zinc/25/80/65/215258065.db2.gz AVUZXALRPUEYOO-CQSZACIVSA-N 1 0 349.438 3.211 50 0 EGAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000067968057 215261887 /nfs/dbraw/zinc/26/18/87/215261887.db2.gz FBPQQVGUCWEJAV-GOSISDBHSA-N 1 0 335.455 3.498 50 0 EGAARO OCCOCC[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072121542 216013532 /nfs/dbraw/zinc/01/35/32/216013532.db2.gz FHMHRHMBNCDFCZ-HNNXBMFYSA-N 1 0 345.405 3.359 50 0 EGAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2cc(C)cc(C)c2)n1 ZINC000072140695 216027568 /nfs/dbraw/zinc/02/75/68/216027568.db2.gz WOKBOVMKTJBMOD-UHFFFAOYSA-N 1 0 342.447 3.067 50 0 EGAARO Cc1ccc([C@@H]2C[N@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072135552 216024650 /nfs/dbraw/zinc/02/46/50/216024650.db2.gz GHQVGTPEAKUWMS-BHDDXSALSA-N 1 0 333.479 3.452 50 0 EGAARO COc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3)CC1)OCO2 ZINC000072150428 216037664 /nfs/dbraw/zinc/03/76/64/216037664.db2.gz ACORLQJNPSYRTR-UHFFFAOYSA-N 1 0 340.423 3.136 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 ZINC000072167494 216056729 /nfs/dbraw/zinc/05/67/29/216056729.db2.gz XOHBYYZSJKQQCA-CQSZACIVSA-N 1 0 333.863 3.098 50 0 EGAARO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000072167292 216058109 /nfs/dbraw/zinc/05/81/09/216058109.db2.gz 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216222138 /nfs/dbraw/zinc/22/21/38/216222138.db2.gz ZZXLTGFMOQQMMO-CQSZACIVSA-N 1 0 339.418 3.432 50 0 EGAARO CC[C@@H](Nc1nc(-c2ccco2)nc2c1CC[NH2+]CC2)c1ccccn1 ZINC000072427964 216218449 /nfs/dbraw/zinc/21/84/49/216218449.db2.gz FORVKLFMNLURDV-OAHLLOKOSA-N 1 0 349.438 3.383 50 0 EGAARO Cc1[nH+]c(CN2CCC([C@H](O)Cc3ccccc3)CC2)c2ccccn12 ZINC000072477510 216255668 /nfs/dbraw/zinc/25/56/68/216255668.db2.gz LLUZRMVABRXKDW-JOCHJYFZSA-N 1 0 349.478 3.458 50 0 EGAARO CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)cc1 ZINC000023374772 212371718 /nfs/dbraw/zinc/37/17/18/212371718.db2.gz VRUGYCOJJYOQFJ-OAQYLSRUSA-N 1 0 340.515 3.373 50 0 EGAARO CCn1ncc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)c1C ZINC000023373733 212373082 /nfs/dbraw/zinc/37/30/82/212373082.db2.gz OLRHXVDLUDJEHY-SFHVURJKSA-N 1 0 330.451 3.105 50 0 EGAARO CN(CC[NH+]1CCCCC1)Cc1nc(Cc2ccccc2Cl)no1 ZINC000023375000 212373095 /nfs/dbraw/zinc/37/30/95/212373095.db2.gz NPSIMQQOBILNPN-UHFFFAOYSA-N 1 0 348.878 3.232 50 0 EGAARO COc1ccc(Nc2ncc(C[N@H+](C)CCn3ccnc3)s2)cc1 ZINC000023339444 212369602 /nfs/dbraw/zinc/36/96/02/212369602.db2.gz RQWIOTXJNYIVPP-UHFFFAOYSA-N 1 0 343.456 3.224 50 0 EGAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc(F)c(F)c1 ZINC000023128030 212351901 /nfs/dbraw/zinc/35/19/01/212351901.db2.gz SXVBEUNFGBSQFW-UHFFFAOYSA-N 1 0 334.366 3.200 50 0 EGAARO CC(C)[NH+]1CCC(CNC(=O)COc2ccc3ccccc3c2)CC1 ZINC000023013862 212341404 /nfs/dbraw/zinc/34/14/04/212341404.db2.gz SUZYHFSCUULGHY-UHFFFAOYSA-N 1 0 340.467 3.455 50 0 EGAARO CCn1cc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000022926256 212336644 /nfs/dbraw/zinc/33/66/44/212336644.db2.gz SBFCZWFGVUYBGD-FQEVSTJZSA-N 1 0 326.488 3.042 50 0 EGAARO COc1cc(Cl)cc(CN2CCN(c3cc[nH+]cc3)CC2)c1OC ZINC000215228652 241115894 /nfs/dbraw/zinc/11/58/94/241115894.db2.gz VCXBCGAZLPUCOW-UHFFFAOYSA-N 1 0 347.846 3.074 50 0 EGAARO COCC[C@@H]1CN(Cc2cnn(-c3ccc(C(C)C)cc3)c2)CCO1 ZINC000215507346 241128446 /nfs/dbraw/zinc/12/84/46/241128446.db2.gz YYHSYMHOIOKTHJ-HXUWFJFHSA-N 1 0 343.471 3.233 50 0 EGAARO Cc1ccc2nc(SCCC(=O)N[C@@H]3CC[N@@H+](C)C3)cc(C)c2c1 ZINC000219474408 241389005 /nfs/dbraw/zinc/38/90/05/241389005.db2.gz KXUJTHSDCJWHCH-OAHLLOKOSA-N 1 0 343.496 3.154 50 0 EGAARO CCCn1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 ZINC000020995513 212196106 /nfs/dbraw/zinc/19/61/06/212196106.db2.gz IHWCSNBLCLYQJP-IBGZPJMESA-N 1 0 344.478 3.495 50 0 EGAARO OCC[C@H]1CN(Cc2c[nH]c3ccccc23)CC[N@@H+]1C1CCCCC1 ZINC000020992111 212195022 /nfs/dbraw/zinc/19/50/22/212195022.db2.gz VITRYXONMZTMRN-IBGZPJMESA-N 1 0 341.499 3.369 50 0 EGAARO OCC[C@@H]1C[N@H+](CCCc2ccccc2)CCN1Cc1cccs1 ZINC000020909134 212186005 /nfs/dbraw/zinc/18/60/05/212186005.db2.gz UKLXBPXLACMUGV-LJQANCHMSA-N 1 0 344.524 3.250 50 0 EGAARO CC[NH+](CC)C[C@@H]1CCCN1c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000020864425 212177986 /nfs/dbraw/zinc/17/79/86/212177986.db2.gz UHUUIXMKZXFLAU-INIZCTEOSA-N 1 0 341.459 3.320 50 0 EGAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000020608744 212154176 /nfs/dbraw/zinc/15/41/76/212154176.db2.gz VYVPAGCNBZQARM-LLVKDONJSA-N 1 0 345.270 3.361 50 0 EGAARO CCOc1cc2c(cc1OC)[C@H](c1ccc(OC)c(OC)c1)[NH2+]CC2 ZINC000020494352 212140588 /nfs/dbraw/zinc/14/05/88/212140588.db2.gz CDQZOYLAFNWUHE-FQEVSTJZSA-N 1 0 343.423 3.346 50 0 biogenic EGAARO CC(C)Nc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000020202202 212110802 /nfs/dbraw/zinc/11/08/02/212110802.db2.gz NSEUBLCMENJLDF-UHFFFAOYSA-N 1 0 344.503 3.383 50 0 EGAARO COc1ccc(OC)c(CN2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000019842206 212075808 /nfs/dbraw/zinc/07/58/08/212075808.db2.gz UCKWNIGSCCMYBV-AEFFLSMTSA-N 1 0 332.488 3.400 50 0 EGAARO Cn1cc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)c2ccccc21 ZINC000019224018 212006558 /nfs/dbraw/zinc/00/65/58/212006558.db2.gz QIXYCRHQGZCCGT-SFHVURJKSA-N 1 0 343.515 3.093 50 0 EGAARO O=C(/C=C/c1ccncc1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012448633 211387565 /nfs/dbraw/zinc/38/75/65/211387565.db2.gz TVJYKWVVQYAYGH-ZJVMWOEPSA-N 1 0 349.478 3.308 50 0 EGAARO COc1ccc(CC[C@H]2CCC[N@@H+](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000012454284 211386898 /nfs/dbraw/zinc/38/68/98/211386898.db2.gz IDEKKDHFHPTEPC-LJQANCHMSA-N 1 0 344.499 3.351 50 0 EGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000012377831 211360679 /nfs/dbraw/zinc/36/06/79/211360679.db2.gz CPFQUQPPMDHFQO-VNHYZAJKSA-N 1 0 342.277 3.167 50 0 EGAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)o1 ZINC000012004039 211279886 /nfs/dbraw/zinc/27/98/86/211279886.db2.gz DMJFDHCVJRCRLC-HNNXBMFYSA-N 1 0 330.403 3.369 50 0 EGAARO c1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)n(-c2ncccn2)c1 ZINC000011820730 211252015 /nfs/dbraw/zinc/25/20/15/211252015.db2.gz RIUXEURSCNFYEC-SFHVURJKSA-N 1 0 333.439 3.344 50 0 EGAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1cc(C2CC2)on1 ZINC000011774847 211245997 /nfs/dbraw/zinc/24/59/97/211245997.db2.gz GMFPXAHVUIRZCO-MRXNPFEDSA-N 1 0 331.460 3.327 50 0 EGAARO Cc1c2cc(C)ccc2[nH]c1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000091665852 218044446 /nfs/dbraw/zinc/04/44/46/218044446.db2.gz HLTJQKVKOOPRAA-MSOLQXFVSA-N 1 0 333.435 3.352 50 0 EGAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)s1 ZINC000091849294 218076971 /nfs/dbraw/zinc/07/69/71/218076971.db2.gz KXVWVZSHKXSBFY-NVXWUHKLSA-N 1 0 341.480 3.188 50 0 EGAARO COCC[C@@]1(CO)CCC[N@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000091872761 218081703 /nfs/dbraw/zinc/08/17/03/218081703.db2.gz FROBIATYOGETQH-IBGZPJMESA-N 1 0 335.492 3.068 50 0 EGAARO Cc1cc(C)c2[nH]c(C[NH2+]CCCNc3cccnc3)cc(=O)c2c1 ZINC000091893699 218084818 /nfs/dbraw/zinc/08/48/18/218084818.db2.gz FZIDUTXQXBFGGP-UHFFFAOYSA-N 1 0 336.439 3.132 50 0 EGAARO CCn1nc(CC(C)C)cc1C(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000091892547 218084846 /nfs/dbraw/zinc/08/48/46/218084846.db2.gz DECBTFNLINJJFK-UHFFFAOYSA-N 1 0 334.508 3.048 50 0 EGAARO C[C@@H]1C[N@H+](Cc2cc(C(N)=O)oc2C(C)(C)C)CC[C@@]1(O)C1CCC1 ZINC000092028871 218106264 /nfs/dbraw/zinc/10/62/64/218106264.db2.gz JLYOTVJXVQXTMB-XCLFUZPHSA-N 1 0 348.487 3.049 50 0 EGAARO O=C(c1ccccn1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000092062401 218111934 /nfs/dbraw/zinc/11/19/34/218111934.db2.gz ZKCAFKIBTGTCBZ-VQTJNVASSA-N 1 0 349.478 3.251 50 0 EGAARO Cc1csc(CCCNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)n1 ZINC000095366397 218299274 /nfs/dbraw/zinc/29/92/74/218299274.db2.gz GJKFCSIONWTRTR-KRWDZBQOSA-N 1 0 343.496 3.281 50 0 EGAARO O=C(NC[C@@H](O)c1ccc(F)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095367238 218300176 /nfs/dbraw/zinc/30/01/76/218300176.db2.gz IFYJGIVRCYOWHT-LJQANCHMSA-N 1 0 348.462 3.020 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cnn(-c3ccccc3C)c1)C2 ZINC000095368176 218300670 /nfs/dbraw/zinc/30/06/70/218300670.db2.gz YXUMSQMVROIVMW-AZUAARDMSA-N 1 0 338.499 3.487 50 0 EGAARO CSc1ncccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095364535 218298108 /nfs/dbraw/zinc/29/81/08/218298108.db2.gz FZNAYMGJSGLPQB-HZPDHXFCSA-N 1 0 345.512 3.140 50 0 EGAARO Cn1nc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c2c1cccc2Cl ZINC000095385573 218316554 /nfs/dbraw/zinc/31/65/54/218316554.db2.gz HOMFONZNNLDCDY-ZDUSSCGKSA-N 1 0 348.878 3.107 50 0 EGAARO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](CCCCCCO)CC2 ZINC000095391713 218323815 /nfs/dbraw/zinc/32/38/15/218323815.db2.gz KNHHNAUHHSYDGL-LJQANCHMSA-N 1 0 344.499 3.020 50 0 EGAARO CSCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000096139821 218623225 /nfs/dbraw/zinc/62/32/25/218623225.db2.gz DCHISBGNHRIWIF-QGZVFWFLSA-N 1 0 332.513 3.078 50 0 EGAARO Cc1ccc(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c(C)c1 ZINC000005092105 210388006 /nfs/dbraw/zinc/38/80/06/210388006.db2.gz LVBDQJGKCMMLPG-KRWDZBQOSA-N 1 0 335.488 3.057 50 0 EGAARO O[C@H](COc1ccccc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004993556 210352366 /nfs/dbraw/zinc/35/23/66/210352366.db2.gz IRCVGKKVEJXPLO-FQEVSTJZSA-N 1 0 325.452 3.381 50 0 EGAARO CCOc1cc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)ccc1OC ZINC000004990294 210352194 /nfs/dbraw/zinc/35/21/94/210352194.db2.gz FLWAOMRIUJJCNK-KRWDZBQOSA-N 1 0 348.487 3.174 50 0 EGAARO C[C@H](c1ccc(C(=O)NCC2(O)CCCCC2)o1)[NH+]1CCCCC1 ZINC000097602273 219039855 /nfs/dbraw/zinc/03/98/55/219039855.db2.gz KLJTWPNOEKHMEJ-OAHLLOKOSA-N 1 0 334.460 3.252 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)c(Cl)c1OC ZINC000097594806 219036903 /nfs/dbraw/zinc/03/69/03/219036903.db2.gz VFKNZPZQOFLBTQ-LJQANCHMSA-N 1 0 347.842 3.451 50 0 EGAARO Cc1cc(-c2ccc(C(=O)N3CCC4(C3)CC[NH2+]CC4)cc2)ccn1 ZINC000426479112 257966910 /nfs/dbraw/zinc/96/69/10/257966910.db2.gz QPHQDURLIWTALD-UHFFFAOYSA-N 1 0 335.451 3.273 50 0 EGAARO C[C@H](O)c1ccc(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)cc1 ZINC000426465038 257968044 /nfs/dbraw/zinc/96/80/44/257968044.db2.gz ARTWRMSKZMBJHG-INIZCTEOSA-N 1 0 340.467 3.431 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2cccc(C(F)(F)F)c2F)C1 ZINC000426395462 257970415 /nfs/dbraw/zinc/97/04/15/257970415.db2.gz XSMMVODPJLEVBX-GFCCVEGCSA-N 1 0 347.356 3.080 50 0 EGAARO COc1cc(C[NH2+]C2CCCC2)cc(OC)c1OC[C@@H]1CCCO1 ZINC000299769218 258083192 /nfs/dbraw/zinc/08/31/92/258083192.db2.gz MJCKZCYYMHUYLV-INIZCTEOSA-N 1 0 335.444 3.294 50 0 EGAARO Cc1cc(C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)c(C)n1C ZINC000299780047 258088975 /nfs/dbraw/zinc/08/89/75/258088975.db2.gz JNUZOLFLPRPHOV-UHFFFAOYSA-N 1 0 339.483 3.251 50 0 EGAARO CSCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000299785079 258092432 /nfs/dbraw/zinc/09/24/32/258092432.db2.gz JKTHDAPTJOHNEU-UHFFFAOYSA-N 1 0 345.871 3.428 50 0 EGAARO c1cnn(CC[NH+]2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)c1 ZINC000299784860 258092436 /nfs/dbraw/zinc/09/24/36/258092436.db2.gz KZTRMKABDIWXSV-UHFFFAOYSA-N 1 0 335.455 3.077 50 0 EGAARO COCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(-c3ccco3)c2)C1 ZINC000299785939 258093256 /nfs/dbraw/zinc/09/32/56/258093256.db2.gz LCERMHNIMHUBKF-OAHLLOKOSA-N 1 0 343.427 3.036 50 0 EGAARO CCCSCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299789592 258095505 /nfs/dbraw/zinc/09/55/05/258095505.db2.gz XTTWMEUSRSFKNK-KSZLIROESA-N 1 0 332.513 3.471 50 0 EGAARO O=C(NCC1(C[NH+]2CCCC2)CC1)c1ccccc1C(F)(F)F ZINC000299798355 258102217 /nfs/dbraw/zinc/10/22/17/258102217.db2.gz RBACAQPJTHERPW-UHFFFAOYSA-N 1 0 326.362 3.311 50 0 EGAARO COc1ccc(-n2ccnc2C[N@H+](C)CCC[C@@H]2CCCO2)cc1 ZINC000216024684 258072338 /nfs/dbraw/zinc/07/23/38/258072338.db2.gz BFBLKIRWXKHYSQ-GOSISDBHSA-N 1 0 329.444 3.272 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cccc(OC(F)(F)F)c3)[C@H]1C[C@H](O)CC2 ZINC000299755649 258074014 /nfs/dbraw/zinc/07/40/14/258074014.db2.gz BHBCBDYFUVOFIM-VNQPRFMTSA-N 1 0 345.361 3.090 50 0 EGAARO COc1ccccc1/C=C/C[N@H+]1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000299766907 258081523 /nfs/dbraw/zinc/08/15/23/258081523.db2.gz CMXOPNAJWQKWRE-UZPPOTPASA-N 1 0 331.456 3.367 50 0 EGAARO COc1c2c(cc3c1[C@@H](n1ccc4ccccc41)[N@H+](C)CC3)OCO2 ZINC000020111827 286188664 /nfs/dbraw/zinc/18/86/64/286188664.db2.gz GCFFMCJNDXSLLS-HXUWFJFHSA-N 1 0 336.391 3.413 50 0 biogenic EGAARO CCc1ccccc1N1CCC([NH2+]Cc2c(C)nn(C)c2OC)CC1 ZINC000058342418 273772235 /nfs/dbraw/zinc/77/22/35/273772235.db2.gz GDKNQGKXVGRXAI-UHFFFAOYSA-N 1 0 342.487 3.058 50 0 EGAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)C2CCOCC2)cc1 ZINC000077470088 276771913 /nfs/dbraw/zinc/77/19/13/276771913.db2.gz PDPOOIMSADENPY-IBGZPJMESA-N 1 0 330.472 3.228 50 0 EGAARO COc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000013011447 277876567 /nfs/dbraw/zinc/87/65/67/277876567.db2.gz LZZWSTOYBZVUIF-KRWDZBQOSA-N 1 0 330.453 3.324 50 0 EGAARO C[C@@H](C[N@H+](C)Cc1ccc2cccc(Cl)c2n1)N1CCOCC1 ZINC000220150320 278240687 /nfs/dbraw/zinc/24/06/87/278240687.db2.gz MZMLOKUIPLQOPV-AWEZNQCLSA-N 1 0 333.863 3.041 50 0 EGAARO C[C@@H]([NH2+]CCC(=O)Nc1nccs1)c1nc2c(s1)CCCC2 ZINC000065528125 278342793 /nfs/dbraw/zinc/34/27/93/278342793.db2.gz NNQMEAWOYICRTD-SNVBAGLBSA-N 1 0 336.486 3.158 50 0 EGAARO c1cc(-c2nc3c(c(N4CC[C@@H]5CCCC[C@@H]5C4)n2)C[NH2+]C3)ccn1 ZINC000072153603 280465459 /nfs/dbraw/zinc/46/54/59/280465459.db2.gz OVEQEUMBKZTNMO-GOEBONIOSA-N 1 0 335.455 3.158 50 0 EGAARO Cc1ccccc1[C@@H](C(=O)NCC1([NH+]2CCCC2)CCCC1)N(C)C ZINC000219779639 302114125 /nfs/dbraw/zinc/11/41/25/302114125.db2.gz MXOPWWZEVQKHLV-IBGZPJMESA-N 1 0 343.515 3.123 50 0 EGAARO C[C@H](C[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1)NC(=O)OC(C)(C)C ZINC000497145616 311824987 /nfs/dbraw/zinc/82/49/87/311824987.db2.gz KNZDRNCXWXBSCA-QWHCGFSZSA-N 1 0 332.448 3.344 50 0 EGAARO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000237824122 455223037 /nfs/dbraw/zinc/22/30/37/455223037.db2.gz RVXVEAVGNAPMQK-FQEVSTJZSA-N 1 0 337.467 3.181 50 0 EGAARO Cc1ncn(CC(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1C ZINC000240228074 455263748 /nfs/dbraw/zinc/26/37/48/455263748.db2.gz KFSKVZLJHDGJMA-HXUWFJFHSA-N 1 0 325.456 3.326 50 0 EGAARO O=C(CSCc1ccccc1Cl)NC[C@@H]1CCCCC[NH2+]1 ZINC000240936818 455265210 /nfs/dbraw/zinc/26/52/10/455265210.db2.gz SEHFCHXEPBDBES-AWEZNQCLSA-N 1 0 326.893 3.222 50 0 EGAARO CC(C)c1cc(CN2CCc3nnc(-c4ccccc4)n3CC2)on1 ZINC000244866387 455276779 /nfs/dbraw/zinc/27/67/79/455276779.db2.gz VVJKIRHTJYUWDG-UHFFFAOYSA-N 1 0 337.427 3.115 50 0 EGAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1Br ZINC000000209856 452537464 /nfs/dbraw/zinc/53/74/64/452537464.db2.gz MRTKNZJFLHZKJY-CYBMUJFWSA-N 1 0 328.250 3.195 50 0 EGAARO Cc1c(C[N@H+](C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000218983 452538792 /nfs/dbraw/zinc/53/87/92/452538792.db2.gz GUZUAIAOPVUQRY-UHFFFAOYSA-N 1 0 335.451 3.159 50 0 EGAARO Cn1ncc(Cl)c1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000374888 452573711 /nfs/dbraw/zinc/57/37/11/452573711.db2.gz IJMXRHPMLUDFRT-UHFFFAOYSA-N 1 0 332.835 3.312 50 0 EGAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000000549253 452621174 /nfs/dbraw/zinc/62/11/74/452621174.db2.gz CZYMHGWYHILMFZ-GASCZTMLSA-N 1 0 325.456 3.031 50 0 EGAARO Cn1c2ccccc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000002462166 452699612 /nfs/dbraw/zinc/69/96/12/452699612.db2.gz XITGWFXTPSSAOI-UHFFFAOYSA-N 1 0 327.457 3.095 50 0 EGAARO COc1ccc(CC[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000002768819 452722551 /nfs/dbraw/zinc/72/25/51/452722551.db2.gz MIOLSXLIHIQKPI-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 EGAARO C[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C[NH+](C)C ZINC000002862729 452730565 /nfs/dbraw/zinc/73/05/65/452730565.db2.gz DCTSHABEOZVDGA-MNOVXSKESA-N 1 0 333.259 3.075 50 0 EGAARO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1 ZINC000004215075 452797739 /nfs/dbraw/zinc/79/77/39/452797739.db2.gz UFDJFJYMMIZKLG-KBPBESRZSA-N 1 0 325.250 3.052 50 0 in-man EGAARO COc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OC ZINC000006703247 452973773 /nfs/dbraw/zinc/97/37/73/452973773.db2.gz UEWDQMQKKWBYJA-UHFFFAOYSA-N 1 0 337.217 3.151 50 0 EGAARO CCOc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(C)cc1 ZINC000006746908 452982796 /nfs/dbraw/zinc/98/27/96/452982796.db2.gz AANPNTGFOMFFGY-INIZCTEOSA-N 1 0 329.440 3.443 50 0 EGAARO COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000008613760 453219731 /nfs/dbraw/zinc/21/97/31/453219731.db2.gz XDFAKUAZYHDWTG-LJQANCHMSA-N 1 0 342.414 3.401 50 0 biogenic EGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214120 453280208 /nfs/dbraw/zinc/28/02/08/453280208.db2.gz VDKXJBBFRBSYPA-IBGZPJMESA-N 1 0 349.434 3.358 50 0 EGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]Cc4cccnc4)[C@H]3C=C12 ZINC000012659985 453388259 /nfs/dbraw/zinc/38/82/59/453388259.db2.gz ZQCAWWOBCZAYGY-WQEIZXBSSA-N 1 0 340.467 3.485 50 0 biogenic EGAARO CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012703603 453393665 /nfs/dbraw/zinc/39/36/65/453393665.db2.gz BUGMRUYRRPCDEH-KRWDZBQOSA-N 1 0 335.467 3.132 50 0 EGAARO CSc1ccc(C[NH2+]Cc2cccnc2N2CCC[C@@H](O)C2)cc1 ZINC000012756291 453399341 /nfs/dbraw/zinc/39/93/41/453399341.db2.gz OLIAYUQAFNEYAI-QGZVFWFLSA-N 1 0 343.496 3.054 50 0 EGAARO O=C(NCC[NH+]1CCCCC1)c1cc(Br)ccc1Cl ZINC000013331042 453459835 /nfs/dbraw/zinc/45/98/35/453459835.db2.gz LZOIVGMMHBXPEG-UHFFFAOYSA-N 1 0 345.668 3.318 50 0 EGAARO C[C@@H]1C[N@@H+](CCCOc2ccccc2Br)C[C@H](C)O1 ZINC000016247527 453598549 /nfs/dbraw/zinc/59/85/49/453598549.db2.gz GWTQPPDNBSYBSA-BETUJISGSA-N 1 0 328.250 3.327 50 0 EGAARO CCC[NH+]1CCC(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)CC1 ZINC000016604685 453614718 /nfs/dbraw/zinc/61/47/18/453614718.db2.gz HKYHQJWZEBVXRH-IBGZPJMESA-N 1 0 332.488 3.397 50 0 EGAARO CCc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000020607226 453667510 /nfs/dbraw/zinc/66/75/10/453667510.db2.gz WOSTUYMVTYZGFH-UHFFFAOYSA-N 1 0 329.469 3.315 50 0 EGAARO Cc1cn2cc(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)ccc2n1 ZINC000082086621 453922345 /nfs/dbraw/zinc/92/23/45/453922345.db2.gz FCDQLJDQCICSAR-LJQANCHMSA-N 1 0 348.450 3.210 50 0 EGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccn(C(C)(C)C)c1 ZINC000082096770 453922827 /nfs/dbraw/zinc/92/28/27/453922827.db2.gz LJECOKBDNAKNIX-LJQANCHMSA-N 1 0 339.483 3.372 50 0 EGAARO CC(C)n1c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)nc2ccccc21 ZINC000082097412 453923917 /nfs/dbraw/zinc/92/39/17/453923917.db2.gz HONWVAVGNJHWAQ-INIZCTEOSA-N 1 0 343.471 3.435 50 0 EGAARO COc1cc(SC)c(OC)cc1CN1CCCC[C@H]([NH+](C)C)C1 ZINC000082115449 453924731 /nfs/dbraw/zinc/92/47/31/453924731.db2.gz KGYQJADFLVMXQE-HNNXBMFYSA-N 1 0 338.517 3.342 50 0 EGAARO CSCc1ccc(N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000082134729 453925916 /nfs/dbraw/zinc/92/59/16/453925916.db2.gz FDXZJRVFIWDYJO-GASCZTMLSA-N 1 0 335.517 3.023 50 0 EGAARO CC[C@@H]1CN(C(=O)c2ccccc2N2CCCC2)CC[N@@H+]1C(C)C ZINC000082160784 453927341 /nfs/dbraw/zinc/92/73/41/453927341.db2.gz DRMULJCRHOFELA-QGZVFWFLSA-N 1 0 329.488 3.232 50 0 EGAARO Cc1ccc(C)c(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000067621357 453950639 /nfs/dbraw/zinc/95/06/39/453950639.db2.gz OQCZOLVTINEGHE-UHFFFAOYSA-N 1 0 337.467 3.236 50 0 EGAARO Cc1ccc(-c2cc(O)c3c(c2)CN([C@@H]2CCC[NH2+]C2)CCO3)s1 ZINC000067691789 453957824 /nfs/dbraw/zinc/95/78/24/453957824.db2.gz BCDWGEYIVFFUPN-MRXNPFEDSA-N 1 0 344.480 3.376 50 0 EGAARO O[C@]1(C[NH+]2CCCCC2)CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000077286520 454086157 /nfs/dbraw/zinc/08/61/57/454086157.db2.gz PWPYYUYLQLAJSE-IBGZPJMESA-N 1 0 345.874 3.315 50 0 EGAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2ccc(F)c(Cl)c2F)C1 ZINC000077379647 454099326 /nfs/dbraw/zinc/09/93/26/454099326.db2.gz AEFFWASMPMRGGT-QGZVFWFLSA-N 1 0 344.833 3.041 50 0 EGAARO CC[C@@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1C(C)C ZINC000077376194 454099703 /nfs/dbraw/zinc/09/97/03/454099703.db2.gz IMXWLWIKRUDWEG-QGZVFWFLSA-N 1 0 326.444 3.022 50 0 EGAARO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077387882 454101156 /nfs/dbraw/zinc/10/11/56/454101156.db2.gz LAFJTAWDMAQAPJ-GOSISDBHSA-N 1 0 341.455 3.237 50 0 EGAARO Cc1cc(N2CCCN(c3nc(C)nc4sccc43)CC2)cc[nH+]1 ZINC000077386534 454101199 /nfs/dbraw/zinc/10/11/99/454101199.db2.gz VFTQRUSZROFTIP-UHFFFAOYSA-N 1 0 339.468 3.420 50 0 EGAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cc(C(C)C)on2)C1 ZINC000077419235 454104777 /nfs/dbraw/zinc/10/47/77/454104777.db2.gz KNDUFQCDUITXOY-MRXNPFEDSA-N 1 0 341.455 3.326 50 0 EGAARO c1ccc(-c2ccc(C[NH+]3CCN(c4cccnc4)CC3)cc2)nc1 ZINC000077425307 454105769 /nfs/dbraw/zinc/10/57/69/454105769.db2.gz KAAXDVFSFBSCMS-UHFFFAOYSA-N 1 0 330.435 3.466 50 0 EGAARO Fc1cccc(-n2cc(CN3CCC[N@@H+](C4CCCC4)CC3)cn2)c1 ZINC000077470581 454109731 /nfs/dbraw/zinc/10/97/31/454109731.db2.gz YOVKFRBZPRBRCN-UHFFFAOYSA-N 1 0 342.462 3.462 50 0 EGAARO Cc1ccncc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095366757 454198874 /nfs/dbraw/zinc/19/88/74/454198874.db2.gz DOLJVCLLEZBJNO-RTBURBONSA-N 1 0 335.451 3.127 50 0 EGAARO Cc1cccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c1O ZINC000071747331 454212218 /nfs/dbraw/zinc/21/22/18/454212218.db2.gz YVEZRZBBLHZZRR-GOSISDBHSA-N 1 0 330.472 3.283 50 0 EGAARO Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cc1O ZINC000071751152 454213326 /nfs/dbraw/zinc/21/33/26/454213326.db2.gz JWTRGDFZICTUCM-GOSISDBHSA-N 1 0 330.472 3.283 50 0 EGAARO CC(=O)Nn1c(C)cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c1C ZINC000071771506 454217180 /nfs/dbraw/zinc/21/71/80/454217180.db2.gz ATPJQLQRDFASGA-QGZVFWFLSA-N 1 0 330.432 3.137 50 0 EGAARO C[NH2+][C@@H](C(=O)N1CCC(c2nccn2C(C)C)CC1)c1ccccc1 ZINC000095500412 454222282 /nfs/dbraw/zinc/22/22/82/454222282.db2.gz NKLZOLRAOIMQNJ-GOSISDBHSA-N 1 0 340.471 3.131 50 0 EGAARO CCC[C@@H]1CN(Cc2cn(C)nc2-c2ccccc2)C[C@H]1[NH+](C)C ZINC000095502462 454222799 /nfs/dbraw/zinc/22/27/99/454222799.db2.gz HECMAPYFATXWBV-IEBWSBKVSA-N 1 0 326.488 3.249 50 0 EGAARO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1C(=O)c1ccccc1 ZINC000095918200 454232131 /nfs/dbraw/zinc/23/21/31/454232131.db2.gz QCFQXUMLJGVCJR-DOTOQJQBSA-N 1 0 327.424 3.045 50 0 EGAARO Cn1cc(CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079188568 454379435 /nfs/dbraw/zinc/37/94/35/454379435.db2.gz AGSJBISGMNWMFR-QFBILLFUSA-N 1 0 339.483 3.102 50 0 biogenic EGAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)C[C@H]1CCC[N@H+]1C ZINC000097088247 454404144 /nfs/dbraw/zinc/40/41/44/454404144.db2.gz XJUWQHSEUHCMLA-QGZVFWFLSA-N 1 0 343.496 3.465 50 0 EGAARO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000097137369 454414329 /nfs/dbraw/zinc/41/43/29/454414329.db2.gz QZEOQNLQLRZULX-KRWDZBQOSA-N 1 0 341.455 3.155 50 0 EGAARO Cn1ccnc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091321715 454428068 /nfs/dbraw/zinc/42/80/68/454428068.db2.gz UONFDLVCXGXQTJ-LJQANCHMSA-N 1 0 338.499 3.122 50 0 EGAARO CC[C@]1(CO)CCC[N@H+](Cc2ccccc2-n2nc(C)cc2C)C1 ZINC000091364573 454430525 /nfs/dbraw/zinc/43/05/25/454430525.db2.gz SVHNEZDOXXGXMF-FQEVSTJZSA-N 1 0 327.472 3.474 50 0 EGAARO O=C(C[C@H]1CCc2ccccc21)NCC[N@@H+]1CCc2ccccc2C1 ZINC000091547440 454444999 /nfs/dbraw/zinc/44/49/99/454444999.db2.gz YLQSPNKUZJFAMH-LJQANCHMSA-N 1 0 334.463 3.281 50 0 EGAARO CC(C)SCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091849196 454481599 /nfs/dbraw/zinc/48/15/99/454481599.db2.gz MDZPGMVRTFAKFK-ZWKOTPCHSA-N 1 0 332.513 3.251 50 0 EGAARO O=C(Cn1cnc2cc3c(cc21)OCCO3)Nc1cccc(Cl)c1 ZINC000064794720 454505711 /nfs/dbraw/zinc/50/57/11/454505711.db2.gz PFTFLQHTLZYDFS-UHFFFAOYSA-N 1 0 343.770 3.100 50 0 EGAARO O=C1COc2ccccc2CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000065184352 454536524 /nfs/dbraw/zinc/53/65/24/454536524.db2.gz UVXTVZBKOWUXNM-UHFFFAOYSA-N 1 0 336.435 3.072 50 0 EGAARO COc1ccccc1N1CC[NH+](C[C@H](O)c2ccc(C)cc2C)CC1 ZINC000065255249 454544495 /nfs/dbraw/zinc/54/44/95/454544495.db2.gz GUFAOWHRRONGHU-FQEVSTJZSA-N 1 0 340.467 3.168 50 0 EGAARO Cc1ccc(F)c(NC(=O)CC[NH2+]C[C@H]2OCCc3ccccc32)c1 ZINC000065375865 454556282 /nfs/dbraw/zinc/55/62/82/454556282.db2.gz GJINWFXDLJPROA-LJQANCHMSA-N 1 0 342.414 3.366 50 0 EGAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)Cc1cnccn1 ZINC000065434377 454567057 /nfs/dbraw/zinc/56/70/57/454567057.db2.gz AZLPZLJQVLNDDX-OAHLLOKOSA-N 1 0 326.444 3.068 50 0 EGAARO CC(=O)Nc1ccc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cn1 ZINC000065466630 454571854 /nfs/dbraw/zinc/57/18/54/454571854.db2.gz MLDDASVKUZRXTM-CQSZACIVSA-N 1 0 325.412 3.100 50 0 EGAARO Cc1n[nH]c(C)c1CN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000252485135 455809847 /nfs/dbraw/zinc/80/98/47/455809847.db2.gz GNYRDNCQHWPCCK-LJQANCHMSA-N 1 0 340.471 3.040 50 0 EGAARO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)C1CC(O)C1 ZINC000222561888 456048204 /nfs/dbraw/zinc/04/82/04/456048204.db2.gz DGFBMEODVQQPBW-MHJFOBGBSA-N 1 0 344.499 3.342 50 0 EGAARO Cc1ccc(SCCN(C)c2cc(C3CC([NH3+])C3)ncn2)cc1 ZINC000223302991 456054943 /nfs/dbraw/zinc/05/49/43/456054943.db2.gz RGRCVPYMVINQLD-UHFFFAOYSA-N 1 0 328.485 3.218 50 0 EGAARO CC[C@H](NC(=O)c1cccc(C[NH+]2CCCCCC2)c1)C1CC(O)C1 ZINC000223248929 456055079 /nfs/dbraw/zinc/05/50/79/456055079.db2.gz IJLCMHWYSGVSAL-MHJFOBGBSA-N 1 0 344.499 3.342 50 0 EGAARO Brc1ccc(C[n+]2cnn(Cc3ccccc3)c2)cc1 ZINC000230519114 456138999 /nfs/dbraw/zinc/13/89/99/456138999.db2.gz HXHJQAYUUOCICB-UHFFFAOYSA-N 1 0 329.221 3.030 50 0 EGAARO O=C(Nc1ccc2c(c1)COC2)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299769896 456780658 /nfs/dbraw/zinc/78/06/58/456780658.db2.gz OJXIVSJCDALXEL-LJQANCHMSA-N 1 0 337.423 3.113 50 0 EGAARO C[C@H](CCC(=O)N(C)Cc1ccc2ccccc2n1)[NH+]1CCCC1 ZINC000426386911 457818833 /nfs/dbraw/zinc/81/88/33/457818833.db2.gz OAOVZZQLFCSBAM-MRXNPFEDSA-N 1 0 325.456 3.458 50 0 EGAARO Cc1ccc(N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)nn1 ZINC000426414331 457827181 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UKJVDBVYHSKQHF-UHFFFAOYSA-N 1 0 340.471 3.203 50 0 EGAARO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)c3sccc3Cl)C2)n1 ZINC000067909480 215249061 /nfs/dbraw/zinc/24/90/61/215249061.db2.gz VAOWNYMRTBGFSL-ZDUSSCGKSA-N 1 0 349.887 3.357 50 0 EGAARO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)(C)C)C2)c2ccccc21 ZINC000067947951 215257784 /nfs/dbraw/zinc/25/77/84/215257784.db2.gz XIOLYRQHLPXRIJ-HNNXBMFYSA-N 1 0 327.472 3.276 50 0 EGAARO COc1cc(C)c(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1C ZINC000039413288 213236360 /nfs/dbraw/zinc/23/63/60/213236360.db2.gz IYEWVCZQNZHFPK-HXUWFJFHSA-N 1 0 346.515 3.123 50 0 EGAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)cc1 ZINC000035268965 213016959 /nfs/dbraw/zinc/01/69/59/213016959.db2.gz KZMIFJXZFDHKGN-HNNXBMFYSA-N 1 0 325.412 3.376 50 0 EGAARO CCC[NH2+]CC[C@H]1CCC(=O)N1CC1(c2ccccc2)CCOCC1 ZINC000011979564 283390657 /nfs/dbraw/zinc/39/06/57/283390657.db2.gz XUQBYOYZQULHBF-LJQANCHMSA-N 1 0 344.499 3.116 50 0 EGAARO COc1ccc(C[NH+]2CCC(OCc3cccnc3)CC2)c(F)c1 ZINC000072125312 216016302 /nfs/dbraw/zinc/01/63/02/216016302.db2.gz LBVNZGRQGNRQAO-UHFFFAOYSA-N 1 0 330.403 3.411 50 0 EGAARO CCCn1ncc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1C ZINC000072138762 216026659 /nfs/dbraw/zinc/02/66/59/216026659.db2.gz DGLPBWWVWJKVIA-UHFFFAOYSA-N 1 0 344.478 3.449 50 0 EGAARO O=C(NCCc1c[nH]c2ccccc12)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072131979 216020725 /nfs/dbraw/zinc/02/07/25/216020725.db2.gz BYDWJXYDDWQVHC-HNNXBMFYSA-N 1 0 333.435 3.217 50 0 EGAARO COCCCN(C(=O)Nc1ccc(C)c(C)c1)C1CC[NH+](C)CC1 ZINC000072131926 216020925 /nfs/dbraw/zinc/02/09/25/216020925.db2.gz MIJPENWDFKANHD-UHFFFAOYSA-N 1 0 333.476 3.268 50 0 EGAARO O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N(Cc1cccc(O)c1)C1CC1 ZINC000072133788 216022097 /nfs/dbraw/zinc/02/20/97/216022097.db2.gz OQYZTCPWSDOJSF-MRXNPFEDSA-N 1 0 336.435 3.274 50 0 EGAARO Cc1c[nH+]ccc1NCCn1ccnc1-c1cnc(-c2ccco2)nc1 ZINC000072151714 216039360 /nfs/dbraw/zinc/03/93/60/216039360.db2.gz AYAGJQUFQQQYNE-UHFFFAOYSA-N 1 0 346.394 3.416 50 0 EGAARO c1cc([C@@H]2C[N@@H+](CC3CCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000072151907 216040693 /nfs/dbraw/zinc/04/06/93/216040693.db2.gz WTCGQEOCRHASDE-IOMROCGXSA-N 1 0 340.467 3.077 50 0 EGAARO c1cc(-c2ccc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)o2)n[nH]1 ZINC000072166266 216055730 /nfs/dbraw/zinc/05/57/30/216055730.db2.gz HCBZFOTUWIMIDR-INIZCTEOSA-N 1 0 338.411 3.246 50 0 EGAARO CCN(CC1CCOCC1)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072168161 216058613 /nfs/dbraw/zinc/05/86/13/216058613.db2.gz LZAPFBRSCBYYQC-UHFFFAOYSA-N 1 0 344.499 3.117 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072411304 216203794 /nfs/dbraw/zinc/20/37/94/216203794.db2.gz WLOQGYJNZBHAHF-MRXNPFEDSA-N 1 0 344.499 3.089 50 0 EGAARO Cn1c2ccccc2cc(C[NH+]2CCC(c3ccncc3)CC2)c1=O ZINC000072423444 216212969 /nfs/dbraw/zinc/21/29/69/216212969.db2.gz OSGSGEHWEBHFQR-UHFFFAOYSA-N 1 0 333.435 3.313 50 0 EGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072429919 216222583 /nfs/dbraw/zinc/22/25/83/216222583.db2.gz AIDHAGPBYMQYHW-IBGZPJMESA-N 1 0 339.483 3.451 50 0 EGAARO Fc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cnccn4)C3)C2)cc1F ZINC000072430758 216223184 /nfs/dbraw/zinc/22/31/84/216223184.db2.gz GQBMYQZMNDFQOP-IBGZPJMESA-N 1 0 344.409 3.247 50 0 EGAARO Cc1ccc(-c2ccc(CN3CC[C@](O)(C[NH+](C)C)C3)o2)cc1Cl ZINC000072435852 216231390 /nfs/dbraw/zinc/23/13/90/216231390.db2.gz UXJKHAABGBXQRO-IBGZPJMESA-N 1 0 348.874 3.407 50 0 EGAARO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000072462555 216245623 /nfs/dbraw/zinc/24/56/23/216245623.db2.gz LRPNMZWNABUQCH-MRXNPFEDSA-N 1 0 329.469 3.253 50 0 EGAARO COCCC[N@H+](Cc1cc2ccccc2n1C)C1CCN(C)CC1 ZINC000072476784 216254532 /nfs/dbraw/zinc/25/45/32/216254532.db2.gz SELLGACXXMNENU-UHFFFAOYSA-N 1 0 329.488 3.111 50 0 EGAARO Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000072475832 216253131 /nfs/dbraw/zinc/25/31/31/216253131.db2.gz CXXCHKJFHHGZKS-QWHCGFSZSA-N 1 0 330.457 3.244 50 0 EGAARO O=C(NCCC[NH2+]Cc1ccccc1)c1nc2ccccc2s1 ZINC000022473350 212301029 /nfs/dbraw/zinc/30/10/29/212301029.db2.gz GXZILGXSJAQNQW-UHFFFAOYSA-N 1 0 325.437 3.206 50 0 EGAARO CCCc1nc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC000215761003 241143317 /nfs/dbraw/zinc/14/33/17/241143317.db2.gz UKOBGYUCVWWJFM-MRXNPFEDSA-N 1 0 331.485 3.437 50 0 EGAARO CSCC[NH+]1CCN(Cc2c[nH]nc2-c2cc(C)ccc2C)CC1 ZINC000216230529 241174458 /nfs/dbraw/zinc/17/44/58/241174458.db2.gz GIPKKQURSRVEMG-UHFFFAOYSA-N 1 0 344.528 3.174 50 0 EGAARO Cc1ccc(OCCCN(C)c2cc(C3CC([NH3+])C3)ncn2)c(C)c1 ZINC000219492265 241389888 /nfs/dbraw/zinc/38/98/88/241389888.db2.gz LPDMNGTVCDIZRQ-UHFFFAOYSA-N 1 0 340.471 3.203 50 0 EGAARO C[C@H](CCC(=O)N(C)Cc1cccc2ncccc12)[NH+]1CCCC1 ZINC000221370013 241466562 /nfs/dbraw/zinc/46/65/62/241466562.db2.gz LXLJKOVAYDZBSG-MRXNPFEDSA-N 1 0 325.456 3.458 50 0 EGAARO Cc1cc(N2CCCN(C(=O)c3ccn(C(C)(C)C)c3)CC2)cc[nH+]1 ZINC000223478422 241656896 /nfs/dbraw/zinc/65/68/96/241656896.db2.gz NHTCDPNBNUKGCG-UHFFFAOYSA-N 1 0 340.471 3.299 50 0 EGAARO Cc1ccc(C[N@@H+](CC(=O)Nc2cnn(C)c2C)C2CCCC2)s1 ZINC000243957154 243036709 /nfs/dbraw/zinc/03/67/09/243036709.db2.gz CGRFPFNVGIPQND-UHFFFAOYSA-N 1 0 346.500 3.482 50 0 EGAARO COc1cc(-c2cccc(-c3ccn(CC[NH+]4CCCC4)n3)c2)ncn1 ZINC000020854109 212176972 /nfs/dbraw/zinc/17/69/72/212176972.db2.gz CCPCVSOCXFAXLN-UHFFFAOYSA-N 1 0 349.438 3.112 50 0 EGAARO CCc1nccn1CC[N@@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000244773873 243078308 /nfs/dbraw/zinc/07/83/08/243078308.db2.gz PIEKXTYNQUUZFD-MRXNPFEDSA-N 1 0 331.435 3.376 50 0 EGAARO O=C(Cc1cccnc1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000244788029 243083201 /nfs/dbraw/zinc/08/32/01/243083201.db2.gz QHYKLGZNJQZVSM-FQEVSTJZSA-N 1 0 337.467 3.358 50 0 EGAARO OCC[C@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1C1CCCCC1 ZINC000020599882 212151076 /nfs/dbraw/zinc/15/10/76/212151076.db2.gz GOURNWIJPYCATO-CLNPQZTCSA-N 1 0 328.500 3.401 50 0 EGAARO Cc1ccc([C@]2(CC[NH+]3CCN(C)CC3)CCOC(C)(C)C2)cc1 ZINC000020590534 212149924 /nfs/dbraw/zinc/14/99/24/212149924.db2.gz XTAQKVSAJJACBC-OAQYLSRUSA-N 1 0 330.516 3.459 50 0 EGAARO c1ccc(C[NH+]2CCN(CCOc3ccc4c(c3)CCC4)CC2)cc1 ZINC000020500181 212140212 /nfs/dbraw/zinc/14/02/12/212140212.db2.gz UDZVYMOOSSPYSL-UHFFFAOYSA-N 1 0 336.479 3.372 50 0 EGAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc3c1OCO3)[NH2+]CC2 ZINC000020494363 212140271 /nfs/dbraw/zinc/14/02/71/212140271.db2.gz JWZNJGWFYYZWDK-LJQANCHMSA-N 1 0 341.407 3.448 50 0 EGAARO Clc1c(OCCC[NH2+]CCN2CCOCC2)ccc2ccccc21 ZINC000020482152 212136804 /nfs/dbraw/zinc/13/68/04/212136804.db2.gz MCGKKXGBFHGNMR-UHFFFAOYSA-N 1 0 348.874 3.184 50 0 EGAARO CC(C)=CCN1CC[N@H+](Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020453399 212131150 /nfs/dbraw/zinc/13/11/50/212131150.db2.gz LOIIRFMZRREDFD-FQEVSTJZSA-N 1 0 339.483 3.070 50 0 EGAARO CC(C)CC[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020235445 212113230 /nfs/dbraw/zinc/11/32/30/212113230.db2.gz SPCPFVGAGWXOLS-SFHVURJKSA-N 1 0 330.472 3.348 50 0 EGAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020102816 212100213 /nfs/dbraw/zinc/10/02/13/212100213.db2.gz POJYEGCVNXUBIZ-UHFFFAOYSA-N 1 0 343.858 3.263 50 0 EGAARO O=C1C[C@@H]([NH2+]C2CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000019989379 212092229 /nfs/dbraw/zinc/09/22/29/212092229.db2.gz ZQISNTDPOHZWMF-CQSZACIVSA-N 1 0 340.345 3.260 50 0 EGAARO CCOC(=O)N1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000019965295 212090797 /nfs/dbraw/zinc/09/07/97/212090797.db2.gz VHZYCFIBWMYLSA-UHFFFAOYSA-N 1 0 341.249 3.160 50 0 EGAARO CCc1cc(CN2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880637 212078530 /nfs/dbraw/zinc/07/85/30/212078530.db2.gz KFDMSWYGWPTZOQ-UHFFFAOYSA-N 1 0 343.496 3.310 50 0 EGAARO O=Cc1ccc(OCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019798124 212069754 /nfs/dbraw/zinc/06/97/54/212069754.db2.gz KISSMNWWGFAMRO-UHFFFAOYSA-N 1 0 338.451 3.086 50 0 EGAARO COc1cccc(CN2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c1OC ZINC000019788505 212066571 /nfs/dbraw/zinc/06/65/71/212066571.db2.gz KNFCKSJZLITXJK-FUHWJXTLSA-N 1 0 332.488 3.400 50 0 EGAARO O=C(c1cccnc1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012588830 211417850 /nfs/dbraw/zinc/41/78/50/211417850.db2.gz UXWLLNWAGKIWDS-JOCHJYFZSA-N 1 0 349.478 3.252 50 0 EGAARO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000012380410 211362058 /nfs/dbraw/zinc/36/20/58/211362058.db2.gz WXTVUOHCJWFNQG-OAHLLOKOSA-N 1 0 334.435 3.070 50 0 EGAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000012317909 211344836 /nfs/dbraw/zinc/34/48/36/211344836.db2.gz UUDLWSQKIXCNPA-MRXNPFEDSA-N 1 0 338.407 3.214 50 0 EGAARO CCN(Cc1cc[nH]n1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012305980 211338726 /nfs/dbraw/zinc/33/87/26/211338726.db2.gz IHGAUWAHILOEJZ-SFHVURJKSA-N 1 0 344.478 3.325 50 0 EGAARO COC(=O)c1ccc(-c2nc(C[N@H+](C)C3CCOCC3)c(C)o2)cc1 ZINC000011957162 211273696 /nfs/dbraw/zinc/27/36/96/211273696.db2.gz QSQFJHYZDSKTAW-UHFFFAOYSA-N 1 0 344.411 3.047 50 0 EGAARO CC(C)(C)C(=O)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011937019 211272143 /nfs/dbraw/zinc/27/21/43/211272143.db2.gz WQVLWTRLKYFFPC-SFHVURJKSA-N 1 0 329.488 3.188 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)CC1 ZINC000011842244 211256717 /nfs/dbraw/zinc/25/67/17/211256717.db2.gz ZRLJSBWBFDHESI-KRWDZBQOSA-N 1 0 332.463 3.481 50 0 EGAARO COc1cc(SC)c(OC)cc1C[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC000091690012 218046667 /nfs/dbraw/zinc/04/66/67/218046667.db2.gz FEEROWHBNZWOFZ-PXAZEXFGSA-N 1 0 325.474 3.019 50 0 EGAARO C[NH+](C)[C@H]1CCN(Cc2ccc(F)c(Cl)c2)C[C@H]1CCCO ZINC000091644159 218037382 /nfs/dbraw/zinc/03/73/82/218037382.db2.gz AWPDBNXKLYDSPW-PBHICJAKSA-N 1 0 328.859 3.004 50 0 EGAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CC(C)C)C3)C2=O)c1 ZINC000011753649 211243785 /nfs/dbraw/zinc/24/37/85/211243785.db2.gz HIAIAZASIZJSFH-FQEVSTJZSA-N 1 0 330.472 3.166 50 0 EGAARO COCCC[C@]1(CO)CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000091755825 218060581 /nfs/dbraw/zinc/06/05/81/218060581.db2.gz GJWDLXOVSUFXDE-GOSISDBHSA-N 1 0 341.879 3.220 50 0 EGAARO CN1CC2(CC[NH+](Cc3cccnc3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091914750 218088437 /nfs/dbraw/zinc/08/84/37/218088437.db2.gz APBBVKPRLRIDFT-FQEVSTJZSA-N 1 0 349.478 3.310 50 0 EGAARO COc1cccc(C[N@@H+]2CC[C@H](Cc3cccc(CO)c3)C2)c1OC ZINC000091849292 218076827 /nfs/dbraw/zinc/07/68/27/218076827.db2.gz AHZWNRUFWYFCEV-QGZVFWFLSA-N 1 0 341.451 3.261 50 0 EGAARO FC(F)C(F)(F)CC[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 ZINC000091871520 218081323 /nfs/dbraw/zinc/08/13/23/218081323.db2.gz MWQUUPGPRNHDEA-DZGCQCFKSA-N 1 0 345.384 3.268 50 0 EGAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092046705 218110991 /nfs/dbraw/zinc/11/09/91/218110991.db2.gz URXAQVDSQLSJCB-GOEBONIOSA-N 1 0 326.362 3.148 50 0 EGAARO CC(C)[NH+]1CCC(CC(=O)N[C@H](c2ccccn2)C(F)(F)F)CC1 ZINC000095351987 218285643 /nfs/dbraw/zinc/28/56/43/218285643.db2.gz YNRSODPZZLYNBJ-MRXNPFEDSA-N 1 0 343.393 3.312 50 0 EGAARO COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1 ZINC000095359969 218292897 /nfs/dbraw/zinc/29/28/97/218292897.db2.gz NVFJAFJWEYZRRZ-WTJLDUFHSA-N 1 0 340.467 3.041 50 0 EGAARO CC[NH+]1CCC(CC(=O)NCc2cc(-c3cccc(F)c3)no2)CC1 ZINC000095368375 218301161 /nfs/dbraw/zinc/30/11/61/218301161.db2.gz XZLZIHNTMQUKCR-UHFFFAOYSA-N 1 0 345.418 3.219 50 0 EGAARO Cc1nc(CCNC(=O)CC2CC[NH+](C(C)C)CC2)sc1Cl ZINC000095371218 218304385 /nfs/dbraw/zinc/30/43/85/218304385.db2.gz DQHKUXGFNDRPCM-UHFFFAOYSA-N 1 0 343.924 3.274 50 0 EGAARO CCc1nc(C)c(CNC(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC000095377985 218310515 /nfs/dbraw/zinc/31/05/15/218310515.db2.gz SLGYJDNEIVSQEV-CQSZACIVSA-N 1 0 335.517 3.285 50 0 EGAARO Cc1ccc2[nH]c([C@@H](C)NC(=O)C3CC[NH+](C(C)C)CC3)nc2c1 ZINC000095384794 218316875 /nfs/dbraw/zinc/31/68/75/218316875.db2.gz ZDXWKOJCSAMBRB-CQSZACIVSA-N 1 0 328.460 3.169 50 0 EGAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC[C@H]1c1ccccn1 ZINC000095386059 218318155 /nfs/dbraw/zinc/31/81/55/218318155.db2.gz DKAVUEXBZVULPG-IBGZPJMESA-N 1 0 339.439 3.250 50 0 EGAARO CN(CCC[NH+]1CCCCCC1)C(=O)Nc1ccc2[nH]cnc2c1 ZINC000096138423 218622321 /nfs/dbraw/zinc/62/23/21/218622321.db2.gz XLLCWSOOVLLIPV-UHFFFAOYSA-N 1 0 329.448 3.293 50 0 EGAARO CCCC[NH2+]Cc1ccc(OCC(=O)NC2CCCCC2)c(OC)c1 ZINC000004867519 210306471 /nfs/dbraw/zinc/30/64/71/210306471.db2.gz KEKVVSAYTMYWAB-UHFFFAOYSA-N 1 0 348.487 3.413 50 0 EGAARO COc1cccc(OC)c1OCCCCCC[NH2+]C[C@@H]1CCCO1 ZINC000004807330 210281490 /nfs/dbraw/zinc/28/14/90/210281490.db2.gz MEGCEMNFBYZFAK-INIZCTEOSA-N 1 0 337.460 3.412 50 0 EGAARO O=C(NCC[C@@H]1CCC[NH2+]1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000097522199 219032289 /nfs/dbraw/zinc/03/22/89/219032289.db2.gz XQCSBIOSXBHQHI-HNNXBMFYSA-N 1 0 349.438 3.494 50 0 EGAARO [NH3+][C@H]1CCC[C@@H](C(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)C1 ZINC000097578874 219036005 /nfs/dbraw/zinc/03/60/05/219036005.db2.gz FXHIQXMWNDVSGG-MJGOQNOKSA-N 1 0 341.430 3.267 50 0 EGAARO COc1cc(C[NH2+]C2CCCC2)cc(OC)c1OC[C@H]1CCCO1 ZINC000299769219 258083186 /nfs/dbraw/zinc/08/31/86/258083186.db2.gz MJCKZCYYMHUYLV-MRXNPFEDSA-N 1 0 335.444 3.294 50 0 EGAARO Cc1ccc(CNC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)o1 ZINC000299771934 258084076 /nfs/dbraw/zinc/08/40/76/258084076.db2.gz ZYOJPIMPMJHFCE-UHFFFAOYSA-N 1 0 343.427 3.383 50 0 EGAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccn2)N1Cc1ccc(F)cc1F ZINC000299785219 258092554 /nfs/dbraw/zinc/09/25/54/258092554.db2.gz QWIFQZHAWQYJGO-KRWDZBQOSA-N 1 0 345.393 3.031 50 0 EGAARO COc1ccc(Oc2ccc(NC(=O)N3CC[NH2+][C@H](C)C3)cc2)cc1 ZINC000299785083 258092594 /nfs/dbraw/zinc/09/25/94/258092594.db2.gz ZFAFJFXFUQOXDC-CQSZACIVSA-N 1 0 341.411 3.313 50 0 EGAARO O=C1C[C@@H](C[NH+]2CCC(c3ccncc3)CC2)CN1c1ccccc1 ZINC000299789178 258095795 /nfs/dbraw/zinc/09/57/95/258095795.db2.gz SLMMEPLWHKOIAE-KRWDZBQOSA-N 1 0 335.451 3.314 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cnc(C4CCCCC4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000299791293 258096935 /nfs/dbraw/zinc/09/69/35/258096935.db2.gz DCPYGQRIAKGERL-CMKODMSKSA-N 1 0 345.487 3.029 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000299800298 258103654 /nfs/dbraw/zinc/10/36/54/258103654.db2.gz VGKBDEGHEPINKA-OAHLLOKOSA-N 1 0 340.427 3.432 50 0 EGAARO Cc1cccc(-c2ncc(C[NH2+]CCCNc3cccnc3)cn2)c1 ZINC000055061093 258061193 /nfs/dbraw/zinc/06/11/93/258061193.db2.gz UDQJMROWAWFLMT-UHFFFAOYSA-N 1 0 333.439 3.439 50 0 EGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cnc2c(c1)CCCC2 ZINC000299759246 258076452 /nfs/dbraw/zinc/07/64/52/258076452.db2.gz DDPCVBUBTWGGCR-HXUWFJFHSA-N 1 0 349.478 3.089 50 0 EGAARO COc1ccc2cc(C[NH2+]C[C@@H]3CCCO3)c(N3CCCC3)nc2c1 ZINC000299764954 258080153 /nfs/dbraw/zinc/08/01/53/258080153.db2.gz WLALKZFAUJYGQC-SFHVURJKSA-N 1 0 341.455 3.112 50 0 EGAARO Cc1ccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccn2)cc1F ZINC000299765355 258080178 /nfs/dbraw/zinc/08/01/78/258080178.db2.gz FYYUWMWDETZHML-GOSISDBHSA-N 1 0 341.430 3.200 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cnc(-c4ccccc4)s3)[C@H]1C[C@@H](O)CC2 ZINC000299765420 258080678 /nfs/dbraw/zinc/08/06/78/258080678.db2.gz ARBHDAVBVYHRTE-VDZJLULYSA-N 1 0 344.480 3.314 50 0 EGAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)OC12CCCCC2 ZINC000004037347 304287983 /nfs/dbraw/zinc/28/79/83/304287983.db2.gz XXCRHFHKCNIENE-GVDBMIGSSA-N 1 0 349.471 3.060 50 0 biogenic EGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000004811559 273872198 /nfs/dbraw/zinc/87/21/98/273872198.db2.gz FXPUZKHAUFSKGS-SFHVURJKSA-N 1 0 334.423 3.047 50 0 EGAARO FC(F)(F)c1cnc(N2CCC3(CC2)[NH2+]CCS3)c(Cl)c1 ZINC000052508083 274907635 /nfs/dbraw/zinc/90/76/35/274907635.db2.gz HVUZYDRVMMZJHJ-UHFFFAOYSA-N 1 0 337.798 3.387 50 0 EGAARO COc1cc(N2CCC([C@@H]3CC[N@H+](CC(C)(C)C)C3)CC2)ncn1 ZINC000072168572 277381348 /nfs/dbraw/zinc/38/13/48/277381348.db2.gz ZWPRRSLRAHLOKS-MRXNPFEDSA-N 1 0 332.492 3.070 50 0 EGAARO COc1cc2c(c(OC)c1)[C@H](c1[nH+]c(C)n3ccccc13)CC(=O)N2 ZINC000065366127 277390878 /nfs/dbraw/zinc/39/08/78/277390878.db2.gz VFWVGWGXCUZBBF-CYBMUJFWSA-N 1 0 337.379 3.134 50 0 EGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](C2CCCC2)CC3)c1 ZINC000077556492 277453551 /nfs/dbraw/zinc/45/35/51/277453551.db2.gz QFFQBMBRUWJSME-UHFFFAOYSA-N 1 0 342.483 3.452 50 0 EGAARO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000001710818 279107920 /nfs/dbraw/zinc/10/79/20/279107920.db2.gz YXUBHIRQBSIPFE-HXUWFJFHSA-N 1 0 333.472 3.340 50 0 in-vitro EGAARO COc1ccc(OC)c(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000000256613 452547491 /nfs/dbraw/zinc/54/74/91/452547491.db2.gz APDSTOAKQMWGDD-UHFFFAOYSA-N 1 0 340.423 3.091 50 0 EGAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1CCC[C@H](C)C1)CC3 ZINC000000509320 452610232 /nfs/dbraw/zinc/61/02/32/452610232.db2.gz MYGBEOGYYAJYJL-HNNXBMFYSA-N 1 0 325.456 3.093 50 0 EGAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000000819327 452637052 /nfs/dbraw/zinc/63/70/52/452637052.db2.gz PBMRTNGATVHZGI-INIZCTEOSA-N 1 0 330.472 3.166 50 0 EGAARO CC[NH+](CC)CCOC(=O)c1cccc2c1-c1ccccc1[C@@H]2O ZINC000001836715 452678926 /nfs/dbraw/zinc/67/89/26/452678926.db2.gz OKWUJZMGUDCBLX-IBGZPJMESA-N 1 0 325.408 3.247 50 0 EGAARO CC[NH+]1CCN(c2cc(C)nc3c(-c4ccccc4)c(C)nn32)CC1 ZINC000002336794 452692753 /nfs/dbraw/zinc/69/27/53/452692753.db2.gz ZUOVPCMNXYSVQI-UHFFFAOYSA-N 1 0 335.455 3.155 50 0 EGAARO CC[NH+](CC)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000002459131 452697786 /nfs/dbraw/zinc/69/77/86/452697786.db2.gz VQXHXCBYFGPRMT-JKSUJKDBSA-N 1 0 344.908 3.271 50 0 EGAARO C[N@H+](CCOC(=O)COc1ccc(Br)cc1)C(C)(C)C ZINC000002971506 452738942 /nfs/dbraw/zinc/73/89/42/452738942.db2.gz HLFQMWPFHBIWKH-UHFFFAOYSA-N 1 0 344.249 3.101 50 0 EGAARO COc1ccc(NC(=S)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000003105490 452743610 /nfs/dbraw/zinc/74/36/10/452743610.db2.gz OKBKIJQKFRVVIV-UHFFFAOYSA-N 1 0 333.501 3.342 50 0 EGAARO CC[NH+](CC)CCNc1nc(-c2ccccc2)nnc1C(F)(F)F ZINC000005708403 452897484 /nfs/dbraw/zinc/89/74/84/452897484.db2.gz UTLPQHBSNOQSJP-UHFFFAOYSA-N 1 0 339.365 3.311 50 0 EGAARO COc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006742055 452980007 /nfs/dbraw/zinc/98/00/07/452980007.db2.gz AMFWNGBGVVOSRG-UHFFFAOYSA-N 1 0 339.439 3.481 50 0 EGAARO COc1ccc([C@H](CNC(=O)OCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000007715394 453105590 /nfs/dbraw/zinc/10/55/90/453105590.db2.gz OJMAOEAKLWXYSQ-AWEZNQCLSA-N 1 0 346.349 3.121 50 0 EGAARO COC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008714048 453226853 /nfs/dbraw/zinc/22/68/53/453226853.db2.gz NADCGHPAPIMHJY-GFCCVEGCSA-N 1 0 328.412 3.267 50 0 EGAARO [NH3+]C1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1 ZINC000012396850 453359652 /nfs/dbraw/zinc/35/96/52/453359652.db2.gz YFODQIIJIWVLQR-UHFFFAOYSA-N 1 0 340.324 3.229 50 0 EGAARO CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)C[NH+](CC)CC)ccc21 ZINC000012421898 453362963 /nfs/dbraw/zinc/36/29/63/453362963.db2.gz IONBRLMGTCOYJH-MRXNPFEDSA-N 1 0 346.471 3.254 50 0 EGAARO O=C(CC[C@H]1CCC[N@@H+](C2CCOCC2)C1)Nc1ccccc1F ZINC000012576232 453378042 /nfs/dbraw/zinc/37/80/42/453378042.db2.gz GUNDMYKLHQWMGN-OAHLLOKOSA-N 1 0 334.435 3.435 50 0 EGAARO COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(C)C)CC3)C2)c1 ZINC000012575966 453379175 /nfs/dbraw/zinc/37/91/75/453379175.db2.gz YVNWRDOQNWWERF-SFHVURJKSA-N 1 0 344.499 3.463 50 0 EGAARO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCCCCC2)c(C)c1 ZINC000013669129 453478192 /nfs/dbraw/zinc/47/81/92/453478192.db2.gz UFGWVDGQTCQVDP-UHFFFAOYSA-N 1 0 338.517 3.156 50 0 EGAARO COc1ccc(CN2CC[N@H+](C[C@@H]3CC=CCC3)CCC2=O)cc1 ZINC000014981333 453549630 /nfs/dbraw/zinc/54/96/30/453549630.db2.gz ZUGMXGQPSKOEIP-QGZVFWFLSA-N 1 0 328.456 3.086 50 0 EGAARO CN(CCCC1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000015079861 453555193 /nfs/dbraw/zinc/55/51/93/453555193.db2.gz UAWHPCCIKUMSNC-IBGZPJMESA-N 1 0 349.563 3.221 50 0 EGAARO Cc1cccc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000015831656 453586635 /nfs/dbraw/zinc/58/66/35/453586635.db2.gz RDQXYXFSCKXGRA-QGZVFWFLSA-N 1 0 342.439 3.229 50 0 EGAARO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860011 453587752 /nfs/dbraw/zinc/58/77/52/453587752.db2.gz XPJPVTHRVQOOSP-QGZVFWFLSA-N 1 0 328.412 3.245 50 0 EGAARO COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(C)cc3)C2)cc1 ZINC000015962080 453590119 /nfs/dbraw/zinc/59/01/19/453590119.db2.gz SHERPGGHJQVOJJ-NRFANRHFSA-N 1 0 337.443 3.264 50 0 EGAARO Fc1cc(F)c2nc(C(F)(F)F)cc(N3CCC[NH2+]CC3)c2c1 ZINC000016158440 453597319 /nfs/dbraw/zinc/59/73/19/453597319.db2.gz QZGODDRZHOXCMG-UHFFFAOYSA-N 1 0 331.288 3.332 50 0 EGAARO CCC[NH+]1CCC(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)CC1 ZINC000016603680 453615097 /nfs/dbraw/zinc/61/50/97/453615097.db2.gz LSBUWHJHFHKBRH-KRWDZBQOSA-N 1 0 338.879 3.488 50 0 EGAARO O=C(COc1ccc(F)cc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170431 453672640 /nfs/dbraw/zinc/67/26/40/453672640.db2.gz AUWCZIZCVUOYGK-SFHVURJKSA-N 1 0 348.462 3.462 50 0 EGAARO Cc1cc(C)cc(O[C@@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000027579754 453819016 /nfs/dbraw/zinc/81/90/16/453819016.db2.gz IRQDMZOXYUGXOM-KRWDZBQOSA-N 1 0 332.488 3.451 50 0 EGAARO CCOC(=O)N1CCC([NH2+]CCOc2c(C)cc(C)cc2C)CC1 ZINC000032547880 453877554 /nfs/dbraw/zinc/87/75/54/453877554.db2.gz LDAOWMQELOMVEB-UHFFFAOYSA-N 1 0 334.460 3.201 50 0 EGAARO C/C=C/CC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082086703 453922525 /nfs/dbraw/zinc/92/25/25/453922525.db2.gz VTCSXMHQBZKWSD-NSCUHMNNSA-N 1 0 330.476 3.004 50 0 EGAARO Cc1noc(C)c1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000084808867 454011321 /nfs/dbraw/zinc/01/13/21/454011321.db2.gz OQBPVQQCUNYJKQ-IBGZPJMESA-N 1 0 341.455 3.005 50 0 EGAARO O=c1c2c3c(sc2ncn1[C@H]1CCCc2ccccc21)C[NH2+]CC3 ZINC000077471776 454109724 /nfs/dbraw/zinc/10/97/24/454109724.db2.gz AMURLFVJZLNRJC-HNNXBMFYSA-N 1 0 337.448 3.029 50 0 EGAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000077505048 454115426 /nfs/dbraw/zinc/11/54/26/454115426.db2.gz WALWRXQJQZINKT-SFHVURJKSA-N 1 0 348.454 3.180 50 0 EGAARO Cc1ccc([C@H](CNC(=O)c2cnn(C(C)(C)C)c2)[NH+]2CCCC2)o1 ZINC000069845445 454151654 /nfs/dbraw/zinc/15/16/54/454151654.db2.gz ZNGCETVYMJIXQC-INIZCTEOSA-N 1 0 344.459 3.106 50 0 EGAARO CC[N@@H+]1CCC[C@H](CN(C)c2nccc(-c3ccc(C)nc3C)n2)C1 ZINC000071748804 454213005 /nfs/dbraw/zinc/21/30/05/454213005.db2.gz AJJBQAGTOBRIJQ-QGZVFWFLSA-N 1 0 339.487 3.324 50 0 EGAARO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C)s3)C[C@H]2NC(C)=O)cc1 ZINC000095505174 454224490 /nfs/dbraw/zinc/22/44/90/454224490.db2.gz VZDJDZVFCCTQTN-RBUKOAKNSA-N 1 0 344.480 3.169 50 0 EGAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000059268628 454255352 /nfs/dbraw/zinc/25/53/52/454255352.db2.gz AQZSCLDFLZZVQI-CYBMUJFWSA-N 1 0 341.249 3.331 50 0 EGAARO CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072161104 454273427 /nfs/dbraw/zinc/27/34/27/454273427.db2.gz DLYHGBMZDSOVRI-AWEZNQCLSA-N 1 0 340.471 3.056 50 0 EGAARO CCCC(=O)Nc1cccc(NC(=O)N(CC)C[C@H]2CC[N@H+](C)C2)c1 ZINC000096163708 454295966 /nfs/dbraw/zinc/29/59/66/454295966.db2.gz PQBCANCFHINOCJ-HNNXBMFYSA-N 1 0 346.475 3.231 50 0 EGAARO Cc1ccc2c(ccn2CC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000079191260 454380783 /nfs/dbraw/zinc/38/07/83/454380783.db2.gz VWWBUZYDZPKIOY-RBUKOAKNSA-N 1 0 339.483 3.330 50 0 biogenic EGAARO Cc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000047825969 454411054 /nfs/dbraw/zinc/41/10/54/454411054.db2.gz SNELKAFDCACXHK-UHFFFAOYSA-N 1 0 335.201 3.171 50 0 EGAARO CN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC000091380978 454432783 /nfs/dbraw/zinc/43/27/83/454432783.db2.gz JHGOUEOSFWXSIK-UHFFFAOYSA-N 1 0 336.892 3.104 50 0 EGAARO Cc1ccccc1C[NH+]1CCC(NCc2cccc3c2OCO3)CC1 ZINC000048716624 454510066 /nfs/dbraw/zinc/51/00/66/454510066.db2.gz WWBWOAVSISPNQW-UHFFFAOYSA-N 1 0 338.451 3.478 50 0 EGAARO Cc1cc(-n2nc(CCc3ccccc3)nc2[C@H]2CCOC2)cc[nH+]1 ZINC000065395749 454559367 /nfs/dbraw/zinc/55/93/67/454559367.db2.gz VMVWQLPJPHVRAD-KRWDZBQOSA-N 1 0 334.423 3.260 50 0 EGAARO CC(=O)N1CCCC[C@@H]1C1=CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000065408074 454562001 /nfs/dbraw/zinc/56/20/01/454562001.db2.gz UTCPXQPQCGEPEY-HXUWFJFHSA-N 1 0 346.446 3.238 50 0 EGAARO OC[C@@H]1[NH2+][C@H](c2ccc(F)cc2Cl)[C@@H]2CN(c3ccccc3)C[C@H]12 ZINC000065417128 454563874 /nfs/dbraw/zinc/56/38/74/454563874.db2.gz UWKIAEFRIAPNHA-OGWHTMIXSA-N 1 0 346.833 3.237 50 0 EGAARO O[C@@H]1C[N@H+](Cc2cccc3nsnc32)CC[C@H]1c1ccc(F)cc1 ZINC000065498349 454578250 /nfs/dbraw/zinc/57/82/50/454578250.db2.gz GTPRJYXISMYLEH-DOTOQJQBSA-N 1 0 343.427 3.181 50 0 EGAARO C[C@H]([NH2+]CCC(=O)Nc1nccs1)c1nc2c(s1)CCCC2 ZINC000065528124 454585631 /nfs/dbraw/zinc/58/56/31/454585631.db2.gz NNQMEAWOYICRTD-JTQLQIEISA-N 1 0 336.486 3.158 50 0 EGAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000065535581 454586737 /nfs/dbraw/zinc/58/67/37/454586737.db2.gz CYSCXWKZLPWAMF-CQSZACIVSA-N 1 0 341.407 3.422 50 0 EGAARO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000106640847 454709193 /nfs/dbraw/zinc/70/91/93/454709193.db2.gz UKCKKXRUHBCARY-PMPSAXMXSA-N 1 0 328.412 3.238 50 0 EGAARO NC(=O)c1ccc(OCCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000252499305 455815534 /nfs/dbraw/zinc/81/55/34/455815534.db2.gz RYMIYHPFNVPCOW-UHFFFAOYSA-N 1 0 344.842 3.266 50 0 EGAARO O=C(C[NH+]1CCCCCC1)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000219850957 456036557 /nfs/dbraw/zinc/03/65/57/456036557.db2.gz TWWQFESIRPNISU-HXUWFJFHSA-N 1 0 341.430 3.302 50 0 EGAARO O=C(/C=C/c1cccs1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684643 456102627 /nfs/dbraw/zinc/10/26/27/456102627.db2.gz AXLRTMCUHPRZHX-DVBCCOPCSA-N 1 0 338.476 3.421 50 0 EGAARO O=C(c1c[nH]c2ccccc12)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225686958 456104120 /nfs/dbraw/zinc/10/41/20/456104120.db2.gz LACZYCKWRKMDPU-SFHVURJKSA-N 1 0 345.446 3.441 50 0 EGAARO O=C(CCC(F)(F)F)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000299784009 456780708 /nfs/dbraw/zinc/78/07/08/456780708.db2.gz KVUYQSLHBLPVPZ-CQSZACIVSA-N 1 0 332.341 3.421 50 0 EGAARO C[C@H](c1ccc(-c2cnc3c(C(N)=O)cnn3c2)cc1)[NH+]1CCCCC1 ZINC000426371187 457813816 /nfs/dbraw/zinc/81/38/16/457813816.db2.gz PXVNIWAVGCKLMO-CQSZACIVSA-N 1 0 349.438 3.042 50 0 EGAARO Cn1c(SCC2CCC(F)(F)CC2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426396368 457820885 /nfs/dbraw/zinc/82/08/85/457820885.db2.gz FYXPVTRUPHZGBT-LBPRGKRZSA-N 1 0 330.448 3.200 50 0 EGAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)NCc3ccc(-c4ccccc4)cc3)C[C@H]12 ZINC000426434004 457830634 /nfs/dbraw/zinc/83/06/34/457830634.db2.gz HUCWPQOMMUUFSD-MZADTFQBSA-N 1 0 349.478 3.303 50 0 EGAARO Cc1cc(-c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)cc2)cc(C)c1O ZINC000426578884 457857501 /nfs/dbraw/zinc/85/75/01/457857501.db2.gz WPHMVSKMNNBHMC-IBGZPJMESA-N 1 0 338.451 3.452 50 0 EGAARO COc1ccc2ccccc2c1C[N@@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000426613538 457861812 /nfs/dbraw/zinc/86/18/12/457861812.db2.gz DPVQQLHNIKJMCV-TYCQWZJGSA-N 1 0 341.451 3.353 50 0 EGAARO CCn1ncc(C[N@H+](C)CCC(=O)Nc2cccc(C)c2C)c1C ZINC000426739065 457890013 /nfs/dbraw/zinc/89/00/13/457890013.db2.gz NWPGRUDBCCJVEU-UHFFFAOYSA-N 1 0 328.460 3.289 50 0 EGAARO Cc1cc(CN(C)C(=O)NC[C@H](c2ccccc2C)[NH+](C)C)ccn1 ZINC000534582510 459335436 /nfs/dbraw/zinc/33/54/36/459335436.db2.gz LSMRCUIIYNTSAB-LJQANCHMSA-N 1 0 340.471 3.143 50 0 EGAARO Cc1ccc([C@H](C)NC(=O)N(C)CCC[NH+]2CCCCCC2)cn1 ZINC000534634265 459338599 /nfs/dbraw/zinc/33/85/99/459338599.db2.gz GJJFDCDDQWZIEI-KRWDZBQOSA-N 1 0 332.492 3.359 50 0 EGAARO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2[nH]c3ccccc3c2C)C1 ZINC000534631747 459339150 /nfs/dbraw/zinc/33/91/50/459339150.db2.gz DYKRLWMOPLZCLG-OAHLLOKOSA-N 1 0 328.460 3.102 50 0 EGAARO CN(Cc1cnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000534648626 459341523 /nfs/dbraw/zinc/34/15/23/459341523.db2.gz LTASVOAGULFHSZ-OAHLLOKOSA-N 1 0 344.484 3.046 50 0 EGAARO C[C@H](CNC(=O)N1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000534660568 459342414 /nfs/dbraw/zinc/34/24/14/459342414.db2.gz SFOMSSJEAROSGL-CQSZACIVSA-N 1 0 335.879 3.323 50 0 EGAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC(F)(F)CC1 ZINC000584893127 459819282 /nfs/dbraw/zinc/81/92/82/459819282.db2.gz MHAIZGARTWOPQZ-CYBMUJFWSA-N 1 0 343.443 3.153 50 0 EGAARO COc1c(N)cc[nH+]c1-c1ccc(C(=O)N2CC=C[C@H]2C(C)C)cc1 ZINC000584891387 459819412 /nfs/dbraw/zinc/81/94/12/459819412.db2.gz NMGNKRMQWRSNJV-KRWDZBQOSA-N 1 0 337.423 3.376 50 0 EGAARO CSCC[NH+]1CCC(NC(=O)N(C)Cc2cccc(C)c2C)CC1 ZINC000584898898 459820493 /nfs/dbraw/zinc/82/04/93/459820493.db2.gz DXKYFJSNPVPYRZ-UHFFFAOYSA-N 1 0 349.544 3.272 50 0 EGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccn(C(F)F)n1 ZINC000584898801 459820510 /nfs/dbraw/zinc/82/05/10/459820510.db2.gz NJPGXUXPPFNXBH-INIZCTEOSA-N 1 0 348.397 3.235 50 0 EGAARO CCc1nc(CC[NH2+]C2CCN(c3cc(C)cc(C)c3)CC2)no1 ZINC000584897355 459820932 /nfs/dbraw/zinc/82/09/32/459820932.db2.gz QKKYDTRAQQTVFU-UHFFFAOYSA-N 1 0 328.460 3.050 50 0 EGAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC2(O)CCC2)C12CCC2 ZINC000585135055 459828021 /nfs/dbraw/zinc/82/80/21/459828021.db2.gz VRSMXLVWKQNLCW-HNNXBMFYSA-N 1 0 338.492 3.203 50 0 EGAARO CC(=O)c1ccccc1C(=O)NCC1([NH+]2CCCC2)CCCCC1 ZINC000219244455 534911685 /nfs/dbraw/zinc/91/16/85/534911685.db2.gz NVTXEGHVSZIOOY-UHFFFAOYSA-N 1 0 328.456 3.418 50 0 EGAARO O=C(/C=C/c1ccsc1)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225571636 527645694 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O=C1OCC2(CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)O1 ZINC000216046954 241159958 /nfs/dbraw/zinc/15/99/58/241159958.db2.gz UZQSZWFYIPBMJI-UHFFFAOYSA-N 1 0 331.290 3.087 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1Cn1cncn1 ZINC000216282300 241180940 /nfs/dbraw/zinc/18/09/40/241180940.db2.gz POFVNCHYWKRDJU-IBGZPJMESA-N 1 0 334.423 3.282 50 0 EGAARO Cc1cc(C)nc(CN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000215404812 241124073 /nfs/dbraw/zinc/12/40/73/241124073.db2.gz WRWLQQPKKQXCQW-LJQANCHMSA-N 1 0 337.467 3.438 50 0 EGAARO Cc1ccccc1[C@@H](NC(=O)CCC[NH+]1CCCC1)c1ccncc1 ZINC000220528328 241446347 /nfs/dbraw/zinc/44/63/47/241446347.db2.gz XVZZQOLUSZFTBK-NRFANRHFSA-N 1 0 337.467 3.472 50 0 EGAARO CC[NH+](CC)CCn1cnc2scc(-c3ccccc3)c2c1=O ZINC000021790197 212249865 /nfs/dbraw/zinc/24/98/65/212249865.db2.gz IYOOLANDWLXUFZ-UHFFFAOYSA-N 1 0 327.453 3.467 50 0 EGAARO O=C(NCCc1nc2ccccc2o1)C1([NH+]2CCCC2)CCCCC1 ZINC000222222923 241499641 /nfs/dbraw/zinc/49/96/41/241499641.db2.gz QLHFYLHDMMLEJZ-UHFFFAOYSA-N 1 0 341.455 3.285 50 0 EGAARO C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227156142 242123869 /nfs/dbraw/zinc/12/38/69/242123869.db2.gz GDTCFWJCTOGKOL-OAGGEKHMSA-N 1 0 341.455 3.438 50 0 EGAARO OCC[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020913229 212185870 /nfs/dbraw/zinc/18/58/70/212185870.db2.gz BGPGRJCZKHRJLP-GOSISDBHSA-N 1 0 346.421 3.034 50 0 EGAARO COc1ccc(CCN(Cc2ccccn2)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000244701039 243059310 /nfs/dbraw/zinc/05/93/10/243059310.db2.gz JYWFYCMIZAWMKZ-FQEVSTJZSA-N 1 0 339.483 3.229 50 0 EGAARO CC[C@@H](c1ccccn1)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000244748592 243076234 /nfs/dbraw/zinc/07/62/34/243076234.db2.gz OKNBXCQVYKUSGO-NRFANRHFSA-N 1 0 338.499 3.287 50 0 EGAARO c1ccc(-c2noc(CN3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000020534516 212144791 /nfs/dbraw/zinc/14/47/91/212144791.db2.gz VQBJUKDOVQXLNS-UHFFFAOYSA-N 1 0 326.444 3.187 50 0 EGAARO CNC(=O)[C@@H]1C[C@H]([NH2+]CCC2=C(C)CCCC2(C)C)CN1C(C)C ZINC000020452028 212131201 /nfs/dbraw/zinc/13/12/01/212131201.db2.gz HPFUGQRLVCXBSX-WMZOPIPTSA-N 1 0 335.536 3.090 50 0 EGAARO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)cc(Cl)c1OC ZINC000019362501 212020960 /nfs/dbraw/zinc/02/09/60/212020960.db2.gz ZEENNJGDHOKPNN-AWEZNQCLSA-N 1 0 326.868 3.321 50 0 EGAARO Cc1ncc2c(c1-c1noc(C[C@H]3CCc4ccccc43)n1)CC[NH2+]C2 ZINC000019145999 212002096 /nfs/dbraw/zinc/00/20/96/212002096.db2.gz IAMQVLBAUHSJAQ-OAHLLOKOSA-N 1 0 346.434 3.358 50 0 EGAARO CCC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000016602816 211917909 /nfs/dbraw/zinc/91/79/09/211917909.db2.gz BURKSESMYPRCMG-UHFFFAOYSA-N 1 0 338.879 3.488 50 0 EGAARO Cn1ccc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc21 ZINC000079190143 217200475 /nfs/dbraw/zinc/20/04/75/217200475.db2.gz LJHXKSQDEWTYLC-ZWKOTPCHSA-N 1 0 325.456 3.173 50 0 biogenic EGAARO COCCNC(=O)CCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012429468 211378862 /nfs/dbraw/zinc/37/88/62/211378862.db2.gz UVRXRMQPCNSIAR-UHFFFAOYSA-N 1 0 338.879 3.095 50 0 EGAARO Fc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)c1F ZINC000012447607 211385798 /nfs/dbraw/zinc/38/57/98/211385798.db2.gz ZQUTURRGZRUNNJ-IBGZPJMESA-N 1 0 346.425 3.176 50 0 EGAARO C[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000012381177 211362221 /nfs/dbraw/zinc/36/22/21/211362221.db2.gz USLONYVSUVSINP-UHFFFAOYSA-N 1 0 345.270 3.361 50 0 EGAARO CN(C(=O)/C=C/c1cccnc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012308161 211342719 /nfs/dbraw/zinc/34/27/19/211342719.db2.gz IYGQQGPQDRDOGC-VIOKTNGOSA-N 1 0 349.478 3.260 50 0 EGAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccncc2)CC1 ZINC000012299495 211337339 /nfs/dbraw/zinc/33/73/39/211337339.db2.gz UUBOXALCYFPJSJ-UHFFFAOYSA-N 1 0 338.451 3.470 50 0 EGAARO O=C(c1ccc(OC2CC[NH+](C3CCC3)CC2)cc1)N1CCCC1 ZINC000012192253 211315686 /nfs/dbraw/zinc/31/56/86/211315686.db2.gz NMBRMXDYBZKWQT-UHFFFAOYSA-N 1 0 328.456 3.318 50 0 EGAARO C[C@@H]1C[N@H+](CCC(=O)NCCc2cccs2)Cc2ccccc2O1 ZINC000012159266 211308997 /nfs/dbraw/zinc/30/89/97/211308997.db2.gz LQPWPKOFXXCDSO-OAHLLOKOSA-N 1 0 344.480 3.080 50 0 EGAARO CC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2)c1ccncc1 ZINC000012203003 211319830 /nfs/dbraw/zinc/31/98/30/211319830.db2.gz GEHFDAWJWMLTFF-INIZCTEOSA-N 1 0 336.395 3.441 50 0 EGAARO Cc1ccc(OCC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012073363 211286737 /nfs/dbraw/zinc/28/67/37/211286737.db2.gz JSVGCRZVMYVPRA-OAQYLSRUSA-N 1 0 342.483 3.098 50 0 EGAARO CCc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCOC)C2)CC1 ZINC000091416904 218003021 /nfs/dbraw/zinc/00/30/21/218003021.db2.gz NJOQWLHINCQMDV-UHFFFAOYSA-N 1 0 344.499 3.100 50 0 EGAARO CC(C)Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)on1 ZINC000091426043 218003538 /nfs/dbraw/zinc/00/35/38/218003538.db2.gz GYKVBTADYWOWMY-OAHLLOKOSA-N 1 0 345.443 3.108 50 0 EGAARO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC(C)(C)C)C3=O)n1 ZINC000011821204 211252061 /nfs/dbraw/zinc/25/20/61/211252061.db2.gz HLTXVFBHMVCYPX-FQEVSTJZSA-N 1 0 329.488 3.251 50 0 EGAARO Cc1oc(-c2ccccc2C)nc1C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000011818433 211251823 /nfs/dbraw/zinc/25/18/23/211251823.db2.gz QIVSSLREARTGIA-INIZCTEOSA-N 1 0 341.455 3.447 50 0 EGAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000011879165 211262731 /nfs/dbraw/zinc/26/27/31/211262731.db2.gz DROVBKVLYFXUGV-CYBMUJFWSA-N 1 0 337.847 3.422 50 0 EGAARO CCc1nc(C)sc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091550475 218020452 /nfs/dbraw/zinc/02/04/52/218020452.db2.gz LULKKJJHCMQCFC-HZPDHXFCSA-N 1 0 347.528 3.350 50 0 EGAARO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000091574751 218023714 /nfs/dbraw/zinc/02/37/14/218023714.db2.gz FJFFVIGBRYTRPP-PQGAMBOFSA-N 1 0 333.447 3.338 50 0 EGAARO O=C1CCC2(CC[NH+](CCCc3cccnc3)CC2)CN1CC1CC1 ZINC000091626384 218035701 /nfs/dbraw/zinc/03/57/01/218035701.db2.gz MIPLJGRTNQWUGX-UHFFFAOYSA-N 1 0 341.499 3.129 50 0 EGAARO CC(C)Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)n(C)n1 ZINC000091877230 218082803 /nfs/dbraw/zinc/08/28/03/218082803.db2.gz MWENZCGZEWVZPA-INIZCTEOSA-N 1 0 346.519 3.003 50 0 EGAARO CCC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccccc1 ZINC000010435888 211172617 /nfs/dbraw/zinc/17/26/17/211172617.db2.gz PSZJRTGWXNBCPG-QGZVFWFLSA-N 1 0 342.439 3.190 50 0 EGAARO C[NH+](C)CCN(C(=O)Cc1cccs1)c1nc2ccccc2s1 ZINC000010061670 211146152 /nfs/dbraw/zinc/14/61/52/211146152.db2.gz HOWSJUOQSRVNPZ-UHFFFAOYSA-N 1 0 345.493 3.495 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(OC(F)F)c1)C2 ZINC000095362323 218295437 /nfs/dbraw/zinc/29/54/37/218295437.db2.gz ZPIWMZKZJODXBG-UKRRQHHQSA-N 1 0 338.398 3.234 50 0 EGAARO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccccn1)CC2 ZINC000095365430 218298271 /nfs/dbraw/zinc/29/82/71/218298271.db2.gz SQXDIPBKXAOOSN-IBGZPJMESA-N 1 0 335.451 3.062 50 0 EGAARO COc1ccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095376450 218308480 /nfs/dbraw/zinc/30/84/80/218308480.db2.gz DXYOSGGSCLMGTL-IPMKNSEASA-N 1 0 342.483 3.130 50 0 EGAARO CC[NH+](CC)CCNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000008990696 211028596 /nfs/dbraw/zinc/02/85/96/211028596.db2.gz BUNQDIYIGONUPJ-UHFFFAOYSA-N 1 0 342.468 3.159 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCOCc1ccc(Cl)cc1 ZINC000095377103 218309975 /nfs/dbraw/zinc/30/99/75/218309975.db2.gz LKKMRJURQSEFCU-QGZVFWFLSA-N 1 0 338.879 3.237 50 0 EGAARO CCCn1cc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c(C)n1 ZINC000095381162 218313248 /nfs/dbraw/zinc/31/32/48/218313248.db2.gz AZXWXZXJJBBSOU-AZUAARDMSA-N 1 0 330.520 3.298 50 0 EGAARO CC[C@H](NC(=O)C1CC[NH+](C2CCCCC2)CC1)c1cnn(C)c1 ZINC000095376137 218309206 /nfs/dbraw/zinc/30/92/06/218309206.db2.gz LFSCZIRGKGHUBK-SFHVURJKSA-N 1 0 332.492 3.032 50 0 EGAARO COc1ccc2c(c1)[nH]c1c2ncn(CC[NH+](C(C)C)C(C)C)c1=O ZINC000005046860 210374843 /nfs/dbraw/zinc/37/48/43/210374843.db2.gz WTLRMGBHCDQEQS-UHFFFAOYSA-N 1 0 342.443 3.005 50 0 EGAARO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1OC ZINC000004891853 210313074 /nfs/dbraw/zinc/31/30/74/210313074.db2.gz ARWUNOKEIFKTKZ-UHFFFAOYSA-N 1 0 347.411 3.019 50 0 EGAARO CCc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc(Cl)c3)C2=O)cc1 ZINC000004836919 210292982 /nfs/dbraw/zinc/29/29/82/210292982.db2.gz QJTFMRHCDCPUSQ-QGZVFWFLSA-N 1 0 342.826 3.324 50 0 EGAARO C[NH+]1CCC(CCC(=O)NCCOCc2ccc(Cl)cc2)CC1 ZINC000097499636 219030158 /nfs/dbraw/zinc/03/01/58/219030158.db2.gz DUAAYCCSRIUDQI-UHFFFAOYSA-N 1 0 338.879 3.095 50 0 EGAARO OC[C@@H]1C[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C[C@H]1CO ZINC000097522705 219032065 /nfs/dbraw/zinc/03/20/65/219032065.db2.gz SFFZKSUNPTWYQU-HOTGVXAUSA-N 1 0 347.842 3.165 50 0 EGAARO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(OCc2ccccc2)c(CO)c1 ZINC000004775009 210275969 /nfs/dbraw/zinc/27/59/69/210275969.db2.gz ICDQPCBDGAHBGG-GOSISDBHSA-N 1 0 329.440 3.179 50 0 in-vitro EGAARO CCNC(=O)[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000097601152 219039911 /nfs/dbraw/zinc/03/99/11/219039911.db2.gz PBUTUGJCAAPQFV-IBGZPJMESA-N 1 0 338.451 3.224 50 0 EGAARO c1cnn(Cc2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cc2)c1 ZINC000097570985 219036659 /nfs/dbraw/zinc/03/66/59/219036659.db2.gz LLJFFGYEZGHLFW-IBGZPJMESA-N 1 0 333.439 3.101 50 0 EGAARO C[C@H](c1cccc(-c2ccc(CS(C)(=O)=O)cn2)c1)[NH+]1CCCC1 ZINC000426649536 257959970 /nfs/dbraw/zinc/95/99/70/257959970.db2.gz GZNDYTVALHCAFD-OAHLLOKOSA-N 1 0 344.480 3.450 50 0 EGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000426393060 257970430 /nfs/dbraw/zinc/97/04/30/257970430.db2.gz QIQRBJJYMYQEBD-GOSISDBHSA-N 1 0 345.487 3.156 50 0 EGAARO C[NH+](C)C[C@@]1(CO)CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000299769316 258083228 /nfs/dbraw/zinc/08/32/28/258083228.db2.gz MABAZKMFCRDSAK-FQEVSTJZSA-N 1 0 341.455 3.008 50 0 EGAARO Cc1[nH]nc(C(=O)NCC[C@H]2CCCC[N@@H+]2C2CCCC2)c1Cl ZINC000299772599 258084947 /nfs/dbraw/zinc/08/49/47/258084947.db2.gz DESNQHNZIRISQX-CQSZACIVSA-N 1 0 338.883 3.289 50 0 EGAARO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](C)[C@@H](C)Cc1cnccn1 ZINC000299776448 258086632 /nfs/dbraw/zinc/08/66/32/258086632.db2.gz BRAADSOMZDYUTR-ZDUSSCGKSA-N 1 0 346.862 3.330 50 0 EGAARO CC[N@@H+]1CC[C@H](C(=O)NCc2csc(-c3cccc(C)c3)n2)C1 ZINC000299789807 258095865 /nfs/dbraw/zinc/09/58/65/258095865.db2.gz AAYXAKVZHRUERL-HNNXBMFYSA-N 1 0 329.469 3.077 50 0 EGAARO C[N@@H+](Cc1nc2ccccc2o1)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299795288 258100008 /nfs/dbraw/zinc/10/00/08/258100008.db2.gz LKVONRGSRBOBKG-HNNXBMFYSA-N 1 0 335.407 3.313 50 0 EGAARO CC(=O)Nc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](C)CO)cc1 ZINC000055061026 258061346 /nfs/dbraw/zinc/06/13/46/258061346.db2.gz RBFHBQMPBPSGRK-INIZCTEOSA-N 1 0 326.440 3.276 50 0 EGAARO COc1ccc(-n2ccnc2C[N@H+](C)CCC[C@H]2CCCO2)cc1 ZINC000216024726 258072063 /nfs/dbraw/zinc/07/20/63/258072063.db2.gz BFBLKIRWXKHYSQ-SFHVURJKSA-N 1 0 329.444 3.272 50 0 EGAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cnc2c(c1)CCCC2 ZINC000299759245 258076643 /nfs/dbraw/zinc/07/66/43/258076643.db2.gz DDPCVBUBTWGGCR-FQEVSTJZSA-N 1 0 349.478 3.089 50 0 EGAARO O=c1c2cc(Cl)ccc2occ1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@H]12 ZINC000100992129 296528696 /nfs/dbraw/zinc/52/86/96/296528696.db2.gz KHDRMEPKJVXMQZ-UWWQBHOKSA-N 1 0 333.815 3.402 50 0 biogenic EGAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](C(C)C)C3)n1 ZINC000011910951 274144306 /nfs/dbraw/zinc/14/43/06/274144306.db2.gz PYMLCDKLPBNGQL-UHFFFAOYSA-N 1 0 328.412 3.369 50 0 EGAARO COc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1OCc1ccccc1 ZINC000004988588 275116923 /nfs/dbraw/zinc/11/69/23/275116923.db2.gz XJGQGPCPQKCNON-SFHVURJKSA-N 1 0 327.424 3.231 50 0 EGAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCOC12CC[NH+](C)CC2 ZINC000013690197 280263046 /nfs/dbraw/zinc/26/30/46/280263046.db2.gz YUWBUUTWPKVFHK-UHFFFAOYSA-N 1 0 348.830 3.289 50 0 EGAARO Cc1cc(C)c(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000071375709 280396073 /nfs/dbraw/zinc/39/60/73/280396073.db2.gz JKBWTGPHBINSKU-AWEZNQCLSA-N 1 0 338.517 3.012 50 0 EGAARO C[NH+](C)C1(CNC(=O)C2(c3ccccc3)CCCCC2)CCOCC1 ZINC000240662474 289044468 /nfs/dbraw/zinc/04/44/68/289044468.db2.gz PLKQXFYJQGPMIC-UHFFFAOYSA-N 1 0 344.499 3.116 50 0 EGAARO COc1ccc([C@@H]2[C@H](C[NH+]3CCCC3)C(=O)N2c2ccccc2)cc1 ZINC000005527080 295232319 /nfs/dbraw/zinc/23/23/19/295232319.db2.gz FXMKLPNAYWFQAD-VQTJNVASSA-N 1 0 336.435 3.495 50 0 EGAARO Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)[C@@H]1CCCCC[N@H+]1C ZINC000244724283 455275483 /nfs/dbraw/zinc/27/54/83/455275483.db2.gz MREDYCKXQHSKRV-KRWDZBQOSA-N 1 0 349.425 3.288 50 0 EGAARO C[C@H]1CCCC[N@@H+]1CC(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000244734693 455276511 /nfs/dbraw/zinc/27/65/11/455276511.db2.gz NKELILFNGBJMJA-ZDUSSCGKSA-N 1 0 347.846 3.486 50 0 EGAARO C[C@@H]1C[C@@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000000036733 452493029 /nfs/dbraw/zinc/49/30/29/452493029.db2.gz RICXMDIFJNHTOE-WAOWUJCRSA-N 1 0 339.479 3.404 50 0 EGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000000237235 452543558 /nfs/dbraw/zinc/54/35/58/452543558.db2.gz CYBHGRMOUGHKPK-CYBMUJFWSA-N 1 0 326.234 3.224 50 0 EGAARO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc2ccccc21 ZINC000000307246 452559091 /nfs/dbraw/zinc/55/90/91/452559091.db2.gz RTGWXKPCOPYJIX-SFHVURJKSA-N 1 0 347.438 3.367 50 0 EGAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2ccccc2)cc1OC ZINC000001178326 452647422 /nfs/dbraw/zinc/64/74/22/452647422.db2.gz JJZNVZAUTIVJAJ-UHFFFAOYSA-N 1 0 342.439 3.207 50 0 EGAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH2+]C(C)C)[C@@H]3CCC1 ZINC000003905752 452787300 /nfs/dbraw/zinc/78/73/00/452787300.db2.gz REQHIGZKPANFBN-OXQOHEQNSA-N 1 0 341.499 3.002 50 0 EGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 ZINC000004555604 452808702 /nfs/dbraw/zinc/80/87/02/452808702.db2.gz UHXUMBCPKWNLHJ-OAHLLOKOSA-N 1 0 329.425 3.261 50 0 EGAARO C[C@H](O)C[NH2+]CCCCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000004832057 452818417 /nfs/dbraw/zinc/81/84/17/452818417.db2.gz GAQBWZPFEZWNFA-INIZCTEOSA-N 1 0 327.424 3.047 50 0 EGAARO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000006493280 452946948 /nfs/dbraw/zinc/94/69/48/452946948.db2.gz PLOYJZJBKMLKKY-HLLBOEOZSA-N 1 0 348.487 3.171 50 0 EGAARO 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COc1ccc(C(C)C)cc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071639501 454210645 /nfs/dbraw/zinc/21/06/45/454210645.db2.gz LAXLCMRKWSYOQR-UHFFFAOYSA-N 1 0 330.472 3.405 50 0 EGAARO COc1cc(C)c(-c2nc(CN3CC[C@H]([NH+](C)C)C3)c(C)o2)cc1C ZINC000071749974 454213560 /nfs/dbraw/zinc/21/35/60/454213560.db2.gz IHZOEXOHQGDGNX-INIZCTEOSA-N 1 0 343.471 3.411 50 0 EGAARO Oc1cccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071750889 454213577 /nfs/dbraw/zinc/21/35/77/454213577.db2.gz CWICTXXXEWJNDV-YPAWHYETSA-N 1 0 334.463 3.454 50 0 EGAARO CCOc1ccc([C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1OCC ZINC000071754926 454214746 /nfs/dbraw/zinc/21/47/46/454214746.db2.gz CHEWXRZIZNVDCS-HNNXBMFYSA-N 1 0 348.487 3.393 50 0 EGAARO CCOc1ccc([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1OCC ZINC000071754925 454214790 /nfs/dbraw/zinc/21/47/90/454214790.db2.gz CHEWXRZIZNVDCS-OAHLLOKOSA-N 1 0 348.487 3.393 50 0 EGAARO O=C(COc1cccc(Cl)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095504871 454223702 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CC1CC[NH+](Cc2ccc(C(=O)N[C@H]3COc4ccccc43)o2)CC1 ZINC001704350801 1416452561 /nfs/dbraw/zinc/45/25/61/1416452561.db2.gz PHGBALZGQVPNDS-KRWDZBQOSA-N 1 0 340.423 3.375 50 0 EGAARO COCc1nnc(NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)o1 ZINC001772706338 1441417167 /nfs/dbraw/zinc/41/71/67/1441417167.db2.gz RIWVALHKFIVZMM-INIZCTEOSA-N 1 0 330.432 3.245 50 0 EGAARO CC/C=C(/C[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 ZINC001772805513 1441417436 /nfs/dbraw/zinc/41/74/36/1441417436.db2.gz MLHZYZDETVMKCS-CLPJQNCZSA-N 1 0 342.483 3.193 50 0 EGAARO Cn1ccc(C2CC[NH+](CCCOCc3ccccc3)CC2)cc1=O ZINC001772815328 1441417738 /nfs/dbraw/zinc/41/77/38/1441417738.db2.gz PJUPPRVYJYHDGH-UHFFFAOYSA-N 1 0 340.467 3.172 50 0 EGAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000055072101 214268890 /nfs/dbraw/zinc/26/88/90/214268890.db2.gz WANFEMRKXNELMV-ZWKOTPCHSA-N 1 0 328.481 3.442 50 0 EGAARO CO[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)o1)c1cccs1 ZINC000097756407 219054411 /nfs/dbraw/zinc/05/44/11/219054411.db2.gz 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C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cnc3c(-c4ccccc4)cnn3c1)C2 ZINC000067805966 215218233 /nfs/dbraw/zinc/21/82/33/215218233.db2.gz ZHPQSQQWUUUJQU-RBUKOAKNSA-N 1 0 347.466 3.065 50 0 EGAARO COc1ccc(C2(CNc3ncnc4c3CC[NH2+]C4)CCCC2)cc1 ZINC000067872069 215236456 /nfs/dbraw/zinc/23/64/56/215236456.db2.gz YSEMAEVHUGFGPF-UHFFFAOYSA-N 1 0 338.455 3.055 50 0 EGAARO CC[NH+](CC)[C@H]1CCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000067880300 215239163 /nfs/dbraw/zinc/23/91/63/215239163.db2.gz GLVDJOZMNPTJFV-INIZCTEOSA-N 1 0 333.863 3.098 50 0 EGAARO CC[C@H](O)C[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067909831 215248072 /nfs/dbraw/zinc/24/80/72/215248072.db2.gz UGEIXLZJAMEVGE-KRWDZBQOSA-N 1 0 327.424 3.333 50 0 EGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH2+]C[C@@H]1C ZINC000067935053 215252661 /nfs/dbraw/zinc/25/26/61/215252661.db2.gz UHBLNOAGXRJEQQ-NSHDSACASA-N 1 0 339.361 3.463 50 0 EGAARO C[C@H](c1ccco1)[N@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067975065 215264619 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COc1cc(N2CCC([C@H]3CC[N@H+](CC(C)(C)C)C3)CC2)ncn1 ZINC000072168571 216059756 /nfs/dbraw/zinc/05/97/56/216059756.db2.gz ZWPRRSLRAHLOKS-INIZCTEOSA-N 1 0 332.492 3.070 50 0 EGAARO Cc1cccn2cc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3=O)nc12 ZINC000072171213 216062454 /nfs/dbraw/zinc/06/24/54/216062454.db2.gz OZXNXOBUTNAWFY-SFHVURJKSA-N 1 0 340.471 3.010 50 0 EGAARO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)on1 ZINC000072280491 216108240 /nfs/dbraw/zinc/10/82/40/216108240.db2.gz HTUKOXMLIZSHIX-ROUUACIJSA-N 1 0 339.439 3.252 50 0 EGAARO c1cn(CCSC2CCCCC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072409892 216200778 /nfs/dbraw/zinc/20/07/78/216200778.db2.gz QKILWWPPKXNDHL-UHFFFAOYSA-N 1 0 345.516 3.306 50 0 EGAARO C[C@@H](C1CCN(Cc2ccc(Cl)c(F)c2)CC1)[NH+]1CCOCC1 ZINC000072422580 216211728 /nfs/dbraw/zinc/21/17/28/216211728.db2.gz PGAJNTXFQBNCRJ-AWEZNQCLSA-N 1 0 340.870 3.412 50 0 EGAARO Cn1ccnc1-c1nccn1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000072428383 216218630 /nfs/dbraw/zinc/21/86/30/216218630.db2.gz QVTWNBBMEOHWQI-UHFFFAOYSA-N 1 0 335.455 3.121 50 0 EGAARO Cc1ccc(OC2CC[NH+](Cc3ccc(N(C)C)nc3)CC2)cc1 ZINC000072454079 216240361 /nfs/dbraw/zinc/24/03/61/216240361.db2.gz DFDQXUSPWBYZAH-UHFFFAOYSA-N 1 0 325.456 3.499 50 0 EGAARO CCC[C@@H](C)N1CC2(CC[NH+](Cc3cnn(CC)c3C)CC2)OC1=O ZINC000072453632 216241194 /nfs/dbraw/zinc/24/11/94/216241194.db2.gz FTGNCEXDRVMVDQ-OAHLLOKOSA-N 1 0 348.491 3.187 50 0 EGAARO CCSc1ccccc1-n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072462680 216245035 /nfs/dbraw/zinc/24/50/35/216245035.db2.gz GWZRXRSSZDRIMB-UHFFFAOYSA-N 1 0 339.468 3.341 50 0 EGAARO Cc1cc2nc(C(C)C)cc(NC[C@H](c3ccccn3)[NH+](C)C)n2n1 ZINC000072481147 216261594 /nfs/dbraw/zinc/26/15/94/216261594.db2.gz LAPAXZOLAXRSMM-QGZVFWFLSA-N 1 0 338.459 3.271 50 0 EGAARO Cc1cc2nc(C)cc(N3CCC([N@H+](C)Cc4ccccc4)CC3)n2n1 ZINC000072480796 216259613 /nfs/dbraw/zinc/25/96/13/216259613.db2.gz PHYBPTUJLIKEKO-UHFFFAOYSA-N 1 0 349.482 3.447 50 0 EGAARO Cc1noc2ncnc(N[C@@H]3CCC[N@H+](CC4CCCCC4)C3)c12 ZINC000072480985 216260091 /nfs/dbraw/zinc/26/00/91/216260091.db2.gz LCDBRHMDYZDYAU-OAHLLOKOSA-N 1 0 329.448 3.383 50 0 EGAARO Cc1nn(C)c(Cl)c1CN1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000023361128 212370314 /nfs/dbraw/zinc/37/03/14/212370314.db2.gz VBHZXNYDJLDQAF-KRWDZBQOSA-N 1 0 346.906 3.478 50 0 EGAARO COc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023127982 212352269 /nfs/dbraw/zinc/35/22/69/212352269.db2.gz CRMKWIZYVFHJRP-UHFFFAOYSA-N 1 0 338.451 3.337 50 0 EGAARO CCCc1nc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cs1 ZINC000215760958 241144428 /nfs/dbraw/zinc/14/44/28/241144428.db2.gz UKOBGYUCVWWJFM-INIZCTEOSA-N 1 0 331.485 3.437 50 0 EGAARO Cc1[nH]c2c(cccc2CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1C ZINC000215518452 241130579 /nfs/dbraw/zinc/13/05/79/241130579.db2.gz ZMGWVVVEJILUBX-SFHVURJKSA-N 1 0 329.488 3.327 50 0 EGAARO CN1CC[N@H+](Cc2ccccc2Cn2cccn2)C[C@@H]1c1ccccc1 ZINC000215590002 241134383 /nfs/dbraw/zinc/13/43/83/241134383.db2.gz WAOSAJVSVHZXDN-JOCHJYFZSA-N 1 0 346.478 3.420 50 0 EGAARO CC(C)(C)C[N@@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@@H]1CCO ZINC000020917819 212188074 /nfs/dbraw/zinc/18/80/74/212188074.db2.gz ISOXFQUFDFKPIZ-SFHVURJKSA-N 1 0 329.488 3.083 50 0 EGAARO CCc1ccc(NC(=O)CCN(C)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000244763981 243076903 /nfs/dbraw/zinc/07/69/03/243076903.db2.gz OZCRWIDYRCWZHN-KRWDZBQOSA-N 1 0 331.504 3.384 50 0 EGAARO Cc1ncc2c(c1-c1noc(CCc3ccc(F)cc3)n1)CC[NH2+]C2 ZINC000020785191 212171887 /nfs/dbraw/zinc/17/18/87/212171887.db2.gz FXNKIXHYVHTSEU-UHFFFAOYSA-N 1 0 338.386 3.010 50 0 EGAARO O=C(c1ccc(N2CCCC2)c(Cl)c1)N1CC([NH+]2CCCCC2)C1 ZINC000244873584 243092459 /nfs/dbraw/zinc/09/24/59/243092459.db2.gz WSLNVNKSOPFMPJ-UHFFFAOYSA-N 1 0 347.890 3.251 50 0 EGAARO C[C@@H]1C[N@@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C[C@H](C)O1 ZINC000020612360 212155091 /nfs/dbraw/zinc/15/50/91/212155091.db2.gz ATYCRKJZBGDSRF-KCSXBHPESA-N 1 0 347.499 3.410 50 0 biogenic EGAARO CC(C)[N@@H+]1CCN(Cc2ccccc2OC2CCCC2)C[C@@H]1CCO ZINC000020600388 212151501 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c1[nH]c(-c2ccccc2)nc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000020209540 212112371 /nfs/dbraw/zinc/11/23/71/212112371.db2.gz PFWGKLSDNVALAB-UHFFFAOYSA-N 1 0 346.478 3.437 50 0 EGAARO CSc1ccc(CN2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019885206 212079722 /nfs/dbraw/zinc/07/97/22/212079722.db2.gz QYXUAMJTHQYQLW-HZPDHXFCSA-N 1 0 334.529 3.482 50 0 EGAARO Cc1c2cc(CNC(=O)[C@@H]3C=CC[NH2+]3)ccc2[nH]c1-c1ccccc1F ZINC000077408372 216897192 /nfs/dbraw/zinc/89/71/92/216897192.db2.gz IANXZDXZVBAUPR-IBGZPJMESA-N 1 0 349.409 3.427 50 0 EGAARO C[NH+](C)CCC[C@@H]1C(=O)[C@@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000019864775 212077880 /nfs/dbraw/zinc/07/78/80/212077880.db2.gz CWNJEYNRTSTRHF-RTBURBONSA-N 1 0 336.435 3.302 50 0 EGAARO COc1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000019872035 212077578 /nfs/dbraw/zinc/07/75/78/212077578.db2.gz JVMKTWRNFMYZJK-OAHLLOKOSA-N 1 0 336.229 3.281 50 0 EGAARO Cc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000019841652 212073783 /nfs/dbraw/zinc/07/37/83/212073783.db2.gz ACWDEJHPGZIXKQ-ZWKOTPCHSA-N 1 0 330.472 3.097 50 0 EGAARO Cc1c([C@@H](C)[NH2+]C2CCN(C)CC2)cnn1-c1ccc(F)cc1F ZINC000019229557 212007163 /nfs/dbraw/zinc/00/71/63/212007163.db2.gz FTBMIXYVIMQZLQ-GFCCVEGCSA-N 1 0 334.414 3.204 50 0 EGAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1)c1ccc(F)cc1 ZINC000012073171 211286009 /nfs/dbraw/zinc/28/60/09/211286009.db2.gz GTBVXQOQDMYBAI-MRXNPFEDSA-N 1 0 342.414 3.173 50 0 EGAARO O=C(c1ccccc1)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000004196866 284713361 /nfs/dbraw/zinc/71/33/61/284713361.db2.gz QAGYZDAQFJOVLF-LJQANCHMSA-N 1 0 339.435 3.143 50 0 EGAARO OCCC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000012019934 211279826 /nfs/dbraw/zinc/27/98/26/211279826.db2.gz ZRRRRNAQGMMURP-ZDUSSCGKSA-N 1 0 335.835 3.375 50 0 EGAARO CCn1nc(CC(C)C)cc1C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000091391461 218000722 /nfs/dbraw/zinc/00/07/22/218000722.db2.gz RQJKVJJEYMPOAN-GOSISDBHSA-N 1 0 346.519 3.192 50 0 EGAARO COc1cccc(F)c1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091411272 218002548 /nfs/dbraw/zinc/00/25/48/218002548.db2.gz XOXMBDUWXSBYOO-HNNXBMFYSA-N 1 0 334.435 3.315 50 0 EGAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000011905192 211266676 /nfs/dbraw/zinc/26/66/76/211266676.db2.gz FWLDWHHWKQVTAU-SFHVURJKSA-N 1 0 335.407 3.374 50 0 EGAARO O=C1C[C@H]([NH2+]C2CCCC2)CN1Cc1ccccc1C(F)(F)F ZINC000011873759 211263462 /nfs/dbraw/zinc/26/34/62/211263462.db2.gz GQGVOYDQYLFJKW-AWEZNQCLSA-N 1 0 326.362 3.339 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)N1CC([NH+]3CCCCC3)C1)c(C)ccc2C ZINC000091548391 218020675 /nfs/dbraw/zinc/02/06/75/218020675.db2.gz VFOVETMBDMBAMH-UHFFFAOYSA-N 1 0 339.483 3.332 50 0 EGAARO O=C(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091663730 218041880 /nfs/dbraw/zinc/04/18/80/218041880.db2.gz JEMCHDHSEKSIJQ-PZJWPPBQSA-N 1 0 349.478 3.251 50 0 EGAARO OCC1(Cc2ccccc2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000011661740 211229958 /nfs/dbraw/zinc/22/99/58/211229958.db2.gz KLVZVDODCSUQQC-UHFFFAOYSA-N 1 0 339.435 3.233 50 0 EGAARO O=C(c1cccc(F)c1F)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091831121 218073327 /nfs/dbraw/zinc/07/33/27/218073327.db2.gz JORZAKPWRRXQID-HUUCEWRRSA-N 1 0 334.410 3.301 50 0 EGAARO CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)c1ccc2nccn2c1 ZINC000092077920 218116000 /nfs/dbraw/zinc/11/60/00/218116000.db2.gz ADZFBXUOSXSARI-UHFFFAOYSA-N 1 0 348.450 3.202 50 0 EGAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccnc4ccccc34)C2)N1CC1CCC1 ZINC000092081173 218117627 /nfs/dbraw/zinc/11/76/27/218117627.db2.gz CILNQAQXGYBOQX-RBUKOAKNSA-N 1 0 349.478 3.458 50 0 EGAARO CCC[C@H](C)C[N@@H+]1CCCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000092062230 218111654 /nfs/dbraw/zinc/11/16/54/218111654.db2.gz URBOALDYNWPCNU-KRWDZBQOSA-N 1 0 346.519 3.080 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)[NH+](C)C)cc1 ZINC000010017928 211141479 /nfs/dbraw/zinc/14/14/79/211141479.db2.gz QJCRORPVUODEMU-GOSISDBHSA-N 1 0 326.440 3.101 50 0 EGAARO CCOCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(CC)C2 ZINC000095353177 218287326 /nfs/dbraw/zinc/28/73/26/218287326.db2.gz QLUJPBOTQWLNLP-LJQANCHMSA-N 1 0 344.499 3.141 50 0 EGAARO Cc1nc2ncccc2c(NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC000095363747 218296770 /nfs/dbraw/zinc/29/67/70/218296770.db2.gz FTMVKAQRFRNKJB-HNNXBMFYSA-N 1 0 337.427 3.250 50 0 EGAARO COc1ccc2[nH]c(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2c1 ZINC000095374920 218308220 /nfs/dbraw/zinc/30/82/20/218308220.db2.gz BRQKDIXFCQBKCB-MRXNPFEDSA-N 1 0 329.444 3.057 50 0 EGAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2cc(-c3ccccc3F)no2)C1 ZINC000095370862 218304164 /nfs/dbraw/zinc/30/41/64/218304164.db2.gz VMFIQIOFNVKLTD-CQSZACIVSA-N 1 0 345.418 3.219 50 0 EGAARO Cc1cc(C[C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH]n1 ZINC000095378971 218310837 /nfs/dbraw/zinc/31/08/37/218310837.db2.gz GXFGOTDGFVACQM-HNNXBMFYSA-N 1 0 340.471 3.065 50 0 EGAARO CCCCn1ccnc1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000095385226 218316976 /nfs/dbraw/zinc/31/69/76/218316976.db2.gz RENBMNGQWRQQOK-KRWDZBQOSA-N 1 0 346.519 3.264 50 0 EGAARO Cn1ccc2cc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)ccc21 ZINC000096343611 218744147 /nfs/dbraw/zinc/74/41/47/218744147.db2.gz ZSIYPRXNUQGSGS-IEBWSBKVSA-N 1 0 325.456 3.173 50 0 EGAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc2[nH]c(C)nc2c1)c1ccco1 ZINC000097551268 219034545 /nfs/dbraw/zinc/03/45/45/219034545.db2.gz CXYINOJIMZYACI-KRWDZBQOSA-N 1 0 340.427 3.277 50 0 EGAARO CCCN(C(=O)c1ccc(C[NH+]2CCCC2)o1)[C@@H]1CCCC[C@H]1O ZINC000097446977 219025801 /nfs/dbraw/zinc/02/58/01/219025801.db2.gz NNNBWAHUYXERGY-IAGOWNOFSA-N 1 0 334.460 3.031 50 0 EGAARO C[NH2+]C[C@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000097495100 219029203 /nfs/dbraw/zinc/02/92/03/219029203.db2.gz KNPVKNUVCDQZQP-CQSZACIVSA-N 1 0 330.863 3.228 50 0 EGAARO Cc1ccc(C(=O)N(C)Cc2cc(C(C)C)on2)cc1OCCC[NH3+] ZINC000299784258 258091637 /nfs/dbraw/zinc/09/16/37/258091637.db2.gz IGRKMSGLSBJJJT-UHFFFAOYSA-N 1 0 345.443 3.106 50 0 EGAARO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299790144 258096180 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Ic1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042773634 454025215 /nfs/dbraw/zinc/02/52/15/454025215.db2.gz AMUQZDVCSDDSLX-LLVKDONJSA-N 1 0 331.197 3.202 50 0 EGAARO COc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000240971660 455265851 /nfs/dbraw/zinc/26/58/51/455265851.db2.gz UARQENFRFNAXFS-QGZVFWFLSA-N 1 0 325.412 3.256 50 0 EGAARO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000244795558 455277008 /nfs/dbraw/zinc/27/70/08/455277008.db2.gz RIOSWISANAHQNR-KSSFIOAISA-N 1 0 336.863 3.296 50 0 EGAARO COc1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000000256887 452548033 /nfs/dbraw/zinc/54/80/33/452548033.db2.gz BHXXUUJKNUQZQG-UHFFFAOYSA-N 1 0 340.423 3.091 50 0 EGAARO CCOc1ccccc1C[NH+]1CCC(C(=O)NC2CCCC2)CC1 ZINC000000455473 452597444 /nfs/dbraw/zinc/59/74/44/452597444.db2.gz LWAMXKAYUKSUBI-UHFFFAOYSA-N 1 0 330.472 3.356 50 0 EGAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000002833473 452727339 /nfs/dbraw/zinc/72/73/39/452727339.db2.gz KWSLUOPSMYVHOP-UHFFFAOYSA-N 1 0 330.384 3.031 50 0 EGAARO CC[NH+](CC)CCNc1ncnc2c1c(C)c(C)n2Cc1ccco1 ZINC000005349122 452863606 /nfs/dbraw/zinc/86/36/06/452863606.db2.gz FDTPTCYVSVLYOL-UHFFFAOYSA-N 1 0 341.459 3.443 50 0 EGAARO C[NH+](C)CCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc21 ZINC000005454322 452874750 /nfs/dbraw/zinc/87/47/50/452874750.db2.gz PMQDLNPDZNZQHM-UHFFFAOYSA-N 1 0 348.406 3.246 50 0 EGAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008717194 453226703 /nfs/dbraw/zinc/22/67/03/453226703.db2.gz JTNVMQKKOVIGRN-UHFFFAOYSA-N 1 0 328.412 3.411 50 0 EGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@@H+](C)C(C)C)C2=O)cc1 ZINC000012583013 453377531 /nfs/dbraw/zinc/37/75/31/453377531.db2.gz QWUGMJDSSLYCJL-HXUWFJFHSA-N 1 0 332.488 3.004 50 0 EGAARO CC(C)(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012574414 453378356 /nfs/dbraw/zinc/37/83/56/453378356.db2.gz PRVADFHDWJPSED-KRWDZBQOSA-N 1 0 326.444 3.321 50 0 EGAARO CC(C)C[NH+]1CCC(CNc2nncc(-c3ccccc3F)n2)CC1 ZINC000012586750 453379447 /nfs/dbraw/zinc/37/94/47/453379447.db2.gz VPQPFMKSMTZDFZ-UHFFFAOYSA-N 1 0 343.450 3.458 50 0 EGAARO C[NH2+]C[C@@H](Cc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000012648201 453388763 /nfs/dbraw/zinc/38/87/63/453388763.db2.gz QMXXNQXCZIZHSH-GFCCVEGCSA-N 1 0 328.250 3.169 50 0 EGAARO O=C(/C=C/c1ccco1)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012712746 453393359 /nfs/dbraw/zinc/39/33/59/453393359.db2.gz SATYLUVMSTYGJF-QZEKMECESA-N 1 0 336.435 3.041 50 0 EGAARO COc1ccc(CCC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000013011126 453437841 /nfs/dbraw/zinc/43/78/41/453437841.db2.gz DRNLVYKEWZGQCG-QGZVFWFLSA-N 1 0 332.469 3.108 50 0 EGAARO O=C(NCCC[NH+]1CCCCC1)c1ccccc1Br ZINC000013647131 453477964 /nfs/dbraw/zinc/47/79/64/453477964.db2.gz OZACCDCVBCQIEY-UHFFFAOYSA-N 1 0 325.250 3.055 50 0 EGAARO COc1ccccc1N1CCN(C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000020083694 453662034 /nfs/dbraw/zinc/66/20/34/453662034.db2.gz LOBCJZKRLWDPOT-UHFFFAOYSA-N 1 0 343.515 3.224 50 0 EGAARO CN1CC[C@@H]([NH2+]C2CCN(c3ccc(-c4ccccc4)cc3)CC2)C1=O ZINC000023399430 453709963 /nfs/dbraw/zinc/70/99/63/453709963.db2.gz JZRIUSPZRHAYCG-OAQYLSRUSA-N 1 0 349.478 3.143 50 0 EGAARO CCc1nn(C)c2c1C(c1cccc(Br)c1)=[NH+]CCN2 ZINC000028092396 453822155 /nfs/dbraw/zinc/82/21/55/453822155.db2.gz HZLLDIWCYDFEEH-UHFFFAOYSA-N 1 0 333.233 3.008 50 0 EGAARO CCc1cc(NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)nc(C)n1 ZINC000082097821 453924236 /nfs/dbraw/zinc/92/42/36/453924236.db2.gz LOYQXLKBUPHYPI-UHFFFAOYSA-N 1 0 342.491 3.018 50 0 EGAARO Cc1cc(C)c2[nH]c(=O)c(CN3CCCC[C@H]([NH+](C)C)C3)cc2c1 ZINC000082171077 453927641 /nfs/dbraw/zinc/92/76/41/453927641.db2.gz HRHPEHFVCIFONN-SFHVURJKSA-N 1 0 327.472 3.061 50 0 EGAARO CCNc1nc(NCCNC(=O)c2ccc3ccccc3c2)cc(C)[nH+]1 ZINC000082230616 453927778 /nfs/dbraw/zinc/92/77/78/453927778.db2.gz DFXBUBAFCDZAOP-UHFFFAOYSA-N 1 0 349.438 3.212 50 0 EGAARO COc1ccc(CN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C2CC2)cc1 ZINC000067685748 453956669 /nfs/dbraw/zinc/95/66/69/453956669.db2.gz PUWBMZWBDDLNBK-KRWDZBQOSA-N 1 0 345.487 3.100 50 0 EGAARO Ic1ccccc1OCCC1CC[NH2+]CC1 ZINC000042773619 454025017 /nfs/dbraw/zinc/02/50/17/454025017.db2.gz SYCPYMZQBKATOF-UHFFFAOYSA-N 1 0 331.197 3.060 50 0 EGAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000077319836 454090578 /nfs/dbraw/zinc/09/05/78/454090578.db2.gz GBEKCHPROBFHLM-GOSISDBHSA-N 1 0 327.428 3.180 50 0 EGAARO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc1 ZINC000077339913 454093822 /nfs/dbraw/zinc/09/38/22/454093822.db2.gz UBLZMOTVGVFWRV-FQEVSTJZSA-N 1 0 327.472 3.011 50 0 EGAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000077454973 454107834 /nfs/dbraw/zinc/10/78/34/454107834.db2.gz TUKNLSFUQHMQNH-QGZVFWFLSA-N 1 0 327.428 3.099 50 0 EGAARO CC1(C)Cc2cc(C[NH2+][C@H]3CCOC4(CCOCC4)C3)ccc2O1 ZINC000077505343 454115445 /nfs/dbraw/zinc/11/54/45/454115445.db2.gz NNGJYYFWPTYGBD-KRWDZBQOSA-N 1 0 331.456 3.218 50 0 EGAARO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2nnc(C4CC4)o2)C3)cc1 ZINC000095365583 454197491 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ACOMVHBPRUSGRJ-HOTGVXAUSA-N 1 0 330.472 3.278 50 0 EGAARO COc1ccc(C(=O)N2CCC([NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004745672 210267071 /nfs/dbraw/zinc/26/70/71/210267071.db2.gz WIZIFABBTIAFEY-HOTGVXAUSA-N 1 0 330.472 3.278 50 0 EGAARO COc1ccc(C2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCCC2)cc1 ZINC000097637950 219043331 /nfs/dbraw/zinc/04/33/31/219043331.db2.gz GBIIHAUTPPFLDL-SFHVURJKSA-N 1 0 330.472 3.108 50 0 EGAARO COc1ccc(C(C)C)cc1C[NH+]1CCC(Cc2nncn2C)CC1 ZINC000055254204 214297098 /nfs/dbraw/zinc/29/70/98/214297098.db2.gz RJCLQRSRPWBVBS-UHFFFAOYSA-N 1 0 342.487 3.402 50 0 EGAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(-c2ccco2)cc1 ZINC000097766367 219055320 /nfs/dbraw/zinc/05/53/20/219055320.db2.gz GLSVQIVEJYTETO-WMZOPIPTSA-N 1 0 343.427 3.176 50 0 EGAARO CCc1oc(C(=O)NCc2ccc(Cl)nc2)cc1C[NH+]1CCCC1 ZINC000055386907 214315326 /nfs/dbraw/zinc/31/53/26/214315326.db2.gz NODPNUMAGHQXLR-UHFFFAOYSA-N 1 0 347.846 3.416 50 0 EGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 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C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](CNC(=O)c2ccoc2C)C1 ZINC000067741619 215201177 /nfs/dbraw/zinc/20/11/77/215201177.db2.gz IISGPPZKLWABJV-DKGMDFAASA-N 1 0 328.412 3.336 50 0 EGAARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000002966462 209948668 /nfs/dbraw/zinc/94/86/68/209948668.db2.gz PFKFMFUVAJHESP-HXUWFJFHSA-N 1 0 325.407 3.394 50 0 EGAARO Cc1nc(NCc2ccccc2-n2cccn2)cc(C2CC[NH2+]CC2)n1 ZINC000067843559 215228014 /nfs/dbraw/zinc/22/80/14/215228014.db2.gz HCVBBHMECKJOPD-UHFFFAOYSA-N 1 0 348.454 3.050 50 0 EGAARO Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000067954306 215257240 /nfs/dbraw/zinc/25/72/40/215257240.db2.gz FVCBBAPJFMQSRY-HNNXBMFYSA-N 1 0 345.487 3.051 50 0 EGAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(OC)c1O ZINC000002390260 209845157 /nfs/dbraw/zinc/84/51/57/209845157.db2.gz JXAXKCRNYQFDAI-UHFFFAOYSA-N 1 0 326.396 3.223 50 0 EGAARO C[NH+](C)CCCNC(=O)c1cc2sccc2n1Cc1ccccc1 ZINC000040809182 213390272 /nfs/dbraw/zinc/39/02/72/213390272.db2.gz QHKQYKQTEASEHJ-UHFFFAOYSA-N 1 0 341.480 3.433 50 0 EGAARO Cn1ccnc1[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000187760531 236292922 /nfs/dbraw/zinc/29/29/22/236292922.db2.gz XJHZDMIGOLFKPU-FQEVSTJZSA-N 1 0 338.499 3.168 50 0 EGAARO COc1ccc(OC2CC[NH+](Cc3ccc(N(C)C)nc3)CC2)cc1 ZINC000072150987 216039537 /nfs/dbraw/zinc/03/95/37/216039537.db2.gz SRXJKTVYXKZNAE-UHFFFAOYSA-N 1 0 341.455 3.200 50 0 EGAARO CN(C(=O)c1ccc(C[C@H]2CCC[NH2+]C2)cc1)C1Cc2ccccc2C1 ZINC000072165476 216054702 /nfs/dbraw/zinc/05/47/02/216054702.db2.gz JPNRPUMFCKAIFS-GOSISDBHSA-N 1 0 348.490 3.468 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@]3(C2)C(=O)Nc2ccccc23)c(F)c1 ZINC000072166411 216055335 /nfs/dbraw/zinc/05/53/35/216055335.db2.gz LCXPFQIJDBSIQV-HXUWFJFHSA-N 1 0 340.398 3.320 50 0 EGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](Nc3nccc(N)n3)C2)cc1 ZINC000072423022 216211483 /nfs/dbraw/zinc/21/14/83/216211483.db2.gz YQYWGFGKCQCADS-GOSISDBHSA-N 1 0 339.487 3.334 50 0 EGAARO Cc1ccc([C@H]2CN(C(=O)c3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072439613 216233263 /nfs/dbraw/zinc/23/32/63/216233263.db2.gz SCHJVKKQVBTBOV-NJDAHSKKSA-N 1 0 347.462 3.092 50 0 EGAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)ccc1O ZINC000072462875 216245443 /nfs/dbraw/zinc/24/54/43/216245443.db2.gz GCZWCHNFQGSANV-GOSISDBHSA-N 1 0 339.435 3.425 50 0 EGAARO c1cn(CC[NH+]2CCCCC2)nc1-c1cccc(-c2cnccn2)c1 ZINC000023380113 212373170 /nfs/dbraw/zinc/37/31/70/212373170.db2.gz FIGDJCYPYIMPLR-UHFFFAOYSA-N 1 0 333.439 3.493 50 0 EGAARO Cc1ccsc1CC[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000022118541 212277713 /nfs/dbraw/zinc/27/77/13/212277713.db2.gz HCNISADSMFSXGF-CQSZACIVSA-N 1 0 348.855 3.174 50 0 EGAARO Cc1ccc(F)c(C[NH+]2CCC3(CC2)CCC(=O)N(C)CC3)c1F ZINC000216006109 241156055 /nfs/dbraw/zinc/15/60/55/241156055.db2.gz KTCNUCPNHQUQNR-UHFFFAOYSA-N 1 0 336.426 3.498 50 0 EGAARO CSc1cccc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)c1 ZINC000020914143 212186976 /nfs/dbraw/zinc/18/69/76/212186976.db2.gz BOWVWOHQROBXPE-SFHVURJKSA-N 1 0 336.545 3.323 50 0 EGAARO COCc1nc(NCCCc2ccc(C)cc2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244602059 243043450 /nfs/dbraw/zinc/04/34/50/243043450.db2.gz DWXOFWSOZBEUCE-CALCHBBNSA-N 1 0 340.471 3.181 50 0 EGAARO Cc1ccc([C@@]2(CC[NH+]3CCN(C)CC3)CCOC(C)(C)C2)cc1 ZINC000020590537 212149857 /nfs/dbraw/zinc/14/98/57/212149857.db2.gz XTAQKVSAJJACBC-NRFANRHFSA-N 1 0 330.516 3.459 50 0 EGAARO COc1nc(C)cc(C)c1C[NH2+]C[C@@]1(c2ccc(F)cc2)CCOC1 ZINC000020560665 212148129 /nfs/dbraw/zinc/14/81/29/212148129.db2.gz KXFHFLJMUBKQNS-FQEVSTJZSA-N 1 0 344.430 3.294 50 0 EGAARO COc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)c(OC)c1 ZINC000019781666 212065427 /nfs/dbraw/zinc/06/54/27/212065427.db2.gz OITKYLUZDZCYQD-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 EGAARO CCn1ccnc1CN1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000019744523 212059882 /nfs/dbraw/zinc/05/98/82/212059882.db2.gz FNFQBUXEHLVNFD-LJQANCHMSA-N 1 0 326.488 3.042 50 0 EGAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](CC(C)(C)C)C2)c1 ZINC000012458454 211389117 /nfs/dbraw/zinc/38/91/17/211389117.db2.gz IOBPGHJMSXFZBL-OAHLLOKOSA-N 1 0 348.487 3.192 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)C(C)(C)Oc2ccccc2Cl)CC1 ZINC000012382470 211363648 /nfs/dbraw/zinc/36/36/48/211363648.db2.gz KIPGPSJPTWNAKQ-UHFFFAOYSA-N 1 0 338.879 3.486 50 0 EGAARO C[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000012381709 211362290 /nfs/dbraw/zinc/36/22/90/211362290.db2.gz IWLNXKLVYMLMNF-UHFFFAOYSA-N 1 0 332.488 3.352 50 0 EGAARO CN(C)c1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000012303961 211339815 /nfs/dbraw/zinc/33/98/15/211339815.db2.gz BLYOATARNXFDNH-NRFANRHFSA-N 1 0 341.499 3.091 50 0 EGAARO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C2CCSCC2)C1 ZINC000012001994 211278616 /nfs/dbraw/zinc/27/86/16/211278616.db2.gz VHNVRTFFEMGIGK-SFHVURJKSA-N 1 0 341.467 3.477 50 0 EGAARO Fc1ccccc1CN1CCC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000012053934 211284540 /nfs/dbraw/zinc/28/45/40/211284540.db2.gz FBYYIPHYZAFTGG-FQEVSTJZSA-N 1 0 332.463 3.293 50 0 EGAARO CCC[C@@]1(CO)CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000091412217 218001932 /nfs/dbraw/zinc/00/19/32/218001932.db2.gz OTXUQMMSOPYKHL-HXUWFJFHSA-N 1 0 327.472 3.306 50 0 EGAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@@H](C)Cc3cncs3)[nH]c12 ZINC000091594707 218028589 /nfs/dbraw/zinc/02/85/89/218028589.db2.gz FWUQHFLQIRCJJI-ZDUSSCGKSA-N 1 0 327.453 3.322 50 0 EGAARO CCCc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000091665488 218043929 /nfs/dbraw/zinc/04/39/29/218043929.db2.gz GMLXTMJVHQFUCU-HNNXBMFYSA-N 1 0 329.469 3.100 50 0 EGAARO COCC[C@@]1(CO)CCC[N@@H+](C2CCN(c3ccc(C)cc3)CC2)C1 ZINC000091907663 218087019 /nfs/dbraw/zinc/08/70/19/218087019.db2.gz JQHRDOXXCCZQFL-NRFANRHFSA-N 1 0 346.515 3.075 50 0 EGAARO CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000010450886 211174667 /nfs/dbraw/zinc/17/46/67/211174667.db2.gz QRKNIGZAGBNNNE-UHFFFAOYSA-N 1 0 338.451 3.480 50 0 EGAARO C[C@@H](Cc1cccnc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095352213 218285749 /nfs/dbraw/zinc/28/57/49/218285749.db2.gz IRGLEDNMQUCOOE-KRWDZBQOSA-N 1 0 337.467 3.429 50 0 EGAARO Cc1ccc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1 ZINC000095367315 218300666 /nfs/dbraw/zinc/30/06/66/218300666.db2.gz YQCCIHCREOYCOB-WOJBJXKFSA-N 1 0 326.484 3.260 50 0 EGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1Cl)C2 ZINC000095364054 218296735 /nfs/dbraw/zinc/29/67/35/218296735.db2.gz DOWXDYCLCNBEAA-XJKSGUPXSA-N 1 0 326.843 3.022 50 0 EGAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1C1CCCCC1)C2 ZINC000095363378 218297212 /nfs/dbraw/zinc/29/72/12/218297212.db2.gz MWMVTEPQHYIIGG-QFBILLFUSA-N 1 0 346.519 3.000 50 0 EGAARO c1ccc2oc(N3CCC([NH2+][C@@H]4COC5(CCCC5)C4)CC3)nc2c1 ZINC000095390534 218322902 /nfs/dbraw/zinc/32/29/02/218322902.db2.gz SISWRCPUIHGTRV-INIZCTEOSA-N 1 0 341.455 3.488 50 0 EGAARO C[NH+](C)C[C@@H](O)Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000005208965 210413682 /nfs/dbraw/zinc/41/36/82/210413682.db2.gz XJWDBQJKGYLMTA-OAHLLOKOSA-N 1 0 329.831 3.279 50 0 EGAARO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005027715 210367055 /nfs/dbraw/zinc/36/70/55/210367055.db2.gz CJYSBSFLHRJLDK-RWLLOJOVSA-N 1 0 342.483 3.245 50 0 EGAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000004999739 210355566 /nfs/dbraw/zinc/35/55/66/210355566.db2.gz XOQXXZJGRFFGSJ-UHFFFAOYSA-N 1 0 349.847 3.005 50 0 EGAARO CN(CC[NH+]1CCCCCC1)C(=O)c1ccccc1-c1ncc[nH]1 ZINC000097324057 219012150 /nfs/dbraw/zinc/01/21/50/219012150.db2.gz LVZBIAPJDNWAEP-UHFFFAOYSA-N 1 0 326.444 3.025 50 0 EGAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1CCC(C)CC1)CC3 ZINC000004859920 210304561 /nfs/dbraw/zinc/30/45/61/210304561.db2.gz FTPPWPXWVKAQKS-UHFFFAOYSA-N 1 0 325.456 3.093 50 0 EGAARO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000097463701 219026117 /nfs/dbraw/zinc/02/61/17/219026117.db2.gz OXRRILHKPADGEL-MJGOQNOKSA-N 1 0 338.451 3.399 50 0 EGAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000004746149 210269307 /nfs/dbraw/zinc/26/93/07/210269307.db2.gz BGQHZTFRCSQMNL-SFHVURJKSA-N 1 0 330.472 3.310 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000097594924 219037378 /nfs/dbraw/zinc/03/73/78/219037378.db2.gz IVYQSWXFCPUROV-QZTJIDSGSA-N 1 0 327.428 3.229 50 0 EGAARO CC(=O)c1ccc(-c2cccc(C(=O)N3CCC[N@@H+](C)CC3)c2)s1 ZINC000299793877 258098466 /nfs/dbraw/zinc/09/84/66/258098466.db2.gz HLPQGYHOWRYVTB-UHFFFAOYSA-N 1 0 342.464 3.395 50 0 EGAARO Cc1cc(CC(=O)NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)on1 ZINC000299794239 258099357 /nfs/dbraw/zinc/09/93/57/258099357.db2.gz JOCPVLRARFTFNP-GOSISDBHSA-N 1 0 341.455 3.087 50 0 EGAARO Cn1nccc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299796292 258100482 /nfs/dbraw/zinc/10/04/82/258100482.db2.gz OWPMPMYGQNYMAI-UXLLHSPISA-N 1 0 335.411 3.163 50 0 EGAARO Cc1n[nH]c(C)c1CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000299798736 258102291 /nfs/dbraw/zinc/10/22/91/258102291.db2.gz VPFWOOJGQOQRID-UHFFFAOYSA-N 1 0 333.863 3.206 50 0 EGAARO CCn1cc(C[N@@H+](Cc2cccn2-c2ncccn2)CC(C)C)cn1 ZINC000055061126 258060988 /nfs/dbraw/zinc/06/09/88/258060988.db2.gz UHNCBNQXZNNLSI-UHFFFAOYSA-N 1 0 338.459 3.142 50 0 EGAARO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)n(Cc2ccccc2Cl)n1 ZINC000055060764 258061080 /nfs/dbraw/zinc/06/10/80/258061080.db2.gz ACTIZDUNFOZFSK-OAHLLOKOSA-N 1 0 346.862 3.174 50 0 EGAARO CCOc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)CC(=O)NC)o2)cc1 ZINC000215968742 258072345 /nfs/dbraw/zinc/07/23/45/258072345.db2.gz PFPGLJSBGZYNBP-AWEZNQCLSA-N 1 0 330.428 3.302 50 0 EGAARO C[NH+]1CCC2(CC1)CCCN(C(=O)Cc1cccc(F)c1F)CC2 ZINC000299756381 258074621 /nfs/dbraw/zinc/07/46/21/258074621.db2.gz HIXKPKPMFOATAV-UHFFFAOYSA-N 1 0 336.426 3.232 50 0 EGAARO Cc1nc(C)c(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000299760463 258077650 /nfs/dbraw/zinc/07/76/50/258077650.db2.gz SQMWWZKAXGWTEB-UHFFFAOYSA-N 1 0 343.496 3.215 50 0 EGAARO COc1cc2c(cc1OC)[C@H]1[N@H+](CC[C@]1(O)c1ccc(F)cc1)CC2 ZINC000004089748 286261224 /nfs/dbraw/zinc/26/12/24/286261224.db2.gz CHVNLMGGTMLHNX-UXHICEINSA-N 1 0 343.398 3.034 50 0 biogenic EGAARO C[C@@H]1CCCC[N@@H+]1CCN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067643800 287269128 /nfs/dbraw/zinc/26/91/28/287269128.db2.gz GJOLMOVSBBBFBE-GOSISDBHSA-N 1 0 343.515 3.097 50 0 EGAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000016579911 275122377 /nfs/dbraw/zinc/12/23/77/275122377.db2.gz SXNGJMWXEALDTQ-OAHLLOKOSA-N 1 0 332.488 3.352 50 0 EGAARO COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2 ZINC000000338120 277852914 /nfs/dbraw/zinc/85/29/14/277852914.db2.gz YYFOFDHQVIODOQ-UHFFFAOYSA-O 1 0 338.383 3.082 50 0 biogenic,in-vitro EGAARO Cc1nc2c(c(N3CCc4cccc(C(F)(F)F)c4C3)n1)CC[NH2+]C2 ZINC000071765476 293405480 /nfs/dbraw/zinc/40/54/80/293405480.db2.gz GJJQGBPWKAAYPL-UHFFFAOYSA-N 1 0 348.372 3.012 50 0 EGAARO [NH3+][C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C1CC1 ZINC000091574213 295342712 /nfs/dbraw/zinc/34/27/12/295342712.db2.gz PRLYFDXOKKPSMR-YPMHNXCESA-N 1 0 332.753 3.168 50 0 EGAARO Cc1cc2n(n1)CCN(Cc1ccc3c4c1cccc4C(=O)OC3)C2 ZINC000240662367 455264579 /nfs/dbraw/zinc/26/45/79/455264579.db2.gz PKLGWQHKPJRONV-UHFFFAOYSA-N 1 0 333.391 3.031 50 0 EGAARO O=C(Cc1ccccn1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000244764154 455276701 /nfs/dbraw/zinc/27/67/01/455276701.db2.gz PCGYYEDLNBWGSG-FQEVSTJZSA-N 1 0 337.467 3.358 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000244734692 455277187 /nfs/dbraw/zinc/27/71/87/455277187.db2.gz NKELILFNGBJMJA-CYBMUJFWSA-N 1 0 347.846 3.486 50 0 EGAARO COc1cc(OC)c(-c2nccn2[C@H]2CC[C@H](O)CC2)cc1OC ZINC000244787687 455277246 /nfs/dbraw/zinc/27/72/46/455277246.db2.gz QBRXEVYFCVLRSV-JOCQHMNTSA-N 1 0 332.400 3.052 50 0 EGAARO CCOc1ccc([C@]2(O)C[n+]3ccccc3N2c2ccccc2)cc1 ZINC000000390325 452578537 /nfs/dbraw/zinc/57/85/37/452578537.db2.gz SXQUUWIEOHQAHN-OAQYLSRUSA-N 1 0 333.411 3.370 50 0 EGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000000561295 452623993 /nfs/dbraw/zinc/62/39/93/452623993.db2.gz AVAMQMUSIAFXCK-UHFFFAOYSA-N 1 0 327.403 3.220 50 0 EGAARO CCOC(=O)N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000000757613 452634679 /nfs/dbraw/zinc/63/46/79/452634679.db2.gz DOBLCGUWDJVHLG-UHFFFAOYSA-N 1 0 341.249 3.160 50 0 EGAARO Cc1nc(C)c(I)c(NC2CCCCC2)n1 ZINC000004050629 452790661 /nfs/dbraw/zinc/79/06/61/452790661.db2.gz GLGHNYSSULXVQU-UHFFFAOYSA-N 1 0 331.201 3.443 50 0 EGAARO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000005500652 452879284 /nfs/dbraw/zinc/87/92/84/452879284.db2.gz BHMIVOBPVFXZPQ-ZDUSSCGKSA-N 1 0 343.427 3.076 50 0 EGAARO CCOC(=O)C1CC[NH+](CCCCOc2cccc(OC)c2)CC1 ZINC000006704098 452973149 /nfs/dbraw/zinc/97/31/49/452973149.db2.gz QMIZKTMYZKKWIA-UHFFFAOYSA-N 1 0 335.444 3.129 50 0 EGAARO CCc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1 ZINC000006719741 452975100 /nfs/dbraw/zinc/97/51/00/452975100.db2.gz RONMKERRXJDUFE-UHFFFAOYSA-N 1 0 339.468 3.107 50 0 EGAARO CCOc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000012711908 453393722 /nfs/dbraw/zinc/39/37/22/453393722.db2.gz SXEREBBIFSZHGQ-SFHVURJKSA-N 1 0 342.414 3.115 50 0 EGAARO COc1ccc(CC(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000013011451 453437925 /nfs/dbraw/zinc/43/79/25/453437925.db2.gz XHPZNAUCVLLEOB-SFHVURJKSA-N 1 0 344.480 3.253 50 0 EGAARO OCCOc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000015078114 453554272 /nfs/dbraw/zinc/55/42/72/453554272.db2.gz ZUXOXUZOLITASO-LJQANCHMSA-N 1 0 326.440 3.134 50 0 EGAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cccc4cccnc43)C2)C1 ZINC000015069256 453554842 /nfs/dbraw/zinc/55/48/42/453554842.db2.gz SIWUTPCICILCTH-OAQYLSRUSA-N 1 0 339.483 3.169 50 0 EGAARO Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000015831658 453586707 /nfs/dbraw/zinc/58/67/07/453586707.db2.gz RDQXYXFSCKXGRA-KRWDZBQOSA-N 1 0 342.439 3.229 50 0 EGAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000015860216 453587727 /nfs/dbraw/zinc/58/77/27/453587727.db2.gz BKUJWQOBODDWLD-KRWDZBQOSA-N 1 0 328.412 3.164 50 0 EGAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000015856112 453587884 /nfs/dbraw/zinc/58/78/84/453587884.db2.gz DPIHKYQPYWACMQ-UHFFFAOYSA-N 1 0 334.463 3.484 50 0 EGAARO CCOc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1OCC ZINC000016580711 453613297 /nfs/dbraw/zinc/61/32/97/453613297.db2.gz BBZQNOWTXFZJBT-UHFFFAOYSA-N 1 0 334.460 3.087 50 0 EGAARO O[C@H](C[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000020218774 453662650 /nfs/dbraw/zinc/66/26/50/453662650.db2.gz GSTJWGMBSGMGDU-GOSISDBHSA-N 1 0 334.822 3.335 50 0 EGAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000055153648 453965949 /nfs/dbraw/zinc/96/59/49/453965949.db2.gz OJMMHQNPWOTILI-PDRSHUBSSA-N 1 0 348.531 3.068 50 0 EGAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353643 454095709 /nfs/dbraw/zinc/09/57/09/454095709.db2.gz IYWMASQTTIJIAN-QGZVFWFLSA-N 1 0 337.427 3.378 50 0 EGAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077355810 454096538 /nfs/dbraw/zinc/09/65/38/454096538.db2.gz HAYUAYAAWQUCNE-MRXNPFEDSA-N 1 0 337.427 3.378 50 0 EGAARO Cn1cccc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077379294 454099616 /nfs/dbraw/zinc/09/96/16/454099616.db2.gz MVLCFYHXTAVMNA-SFHVURJKSA-N 1 0 325.456 3.454 50 0 EGAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2ccc(F)c(Cl)c2F)C1 ZINC000077379644 454099634 /nfs/dbraw/zinc/09/96/34/454099634.db2.gz AEFFWASMPMRGGT-KRWDZBQOSA-N 1 0 344.833 3.041 50 0 EGAARO Cn1c2ccccc2nc1C1CCN(c2ncnc3[nH]ccc32)CC1 ZINC000077453869 454107579 /nfs/dbraw/zinc/10/75/79/454107579.db2.gz ZDEJVIUFBGEUIS-UHFFFAOYSA-N 1 0 332.411 3.229 50 0 EGAARO O=C1CC[C@]2(CCC[N@@H+](CCOc3ccc(F)cc3)C2)CN1C1CC1 ZINC000077459821 454108406 /nfs/dbraw/zinc/10/84/06/454108406.db2.gz BALSVRWUAXWMRW-FQEVSTJZSA-N 1 0 346.446 3.072 50 0 EGAARO Cc1cc(N2CCN(C(=O)CSc3ccccc3)CC2)cc(C)[nH+]1 ZINC000077472349 454110215 /nfs/dbraw/zinc/11/02/15/454110215.db2.gz UANVLJNXHRGZTK-UHFFFAOYSA-N 1 0 341.480 3.139 50 0 EGAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000077539424 454119941 /nfs/dbraw/zinc/11/99/41/454119941.db2.gz KLLXQDWKHOHLLN-OAHLLOKOSA-N 1 0 327.428 3.246 50 0 EGAARO O=C(c1cccnc1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069619149 454125458 /nfs/dbraw/zinc/12/54/58/454125458.db2.gz QPYOWBBLJIDUDA-UXHICEINSA-N 1 0 335.451 3.351 50 0 EGAARO CCCC[NH+]1CCN(Cc2nc(-c3ccc(SC)cc3)no2)CC1 ZINC000057427693 454127798 /nfs/dbraw/zinc/12/77/98/454127798.db2.gz BUEUYZOWCOLVIL-UHFFFAOYSA-N 1 0 346.500 3.376 50 0 EGAARO COc1ccc(-c2nc(C[N@H+](C)CC3(CO)CCC3)c(C)o2)c(F)c1 ZINC000071745376 454211482 /nfs/dbraw/zinc/21/14/82/454211482.db2.gz BHDDMTUJAGVJCX-UHFFFAOYSA-N 1 0 348.418 3.392 50 0 EGAARO CC[NH+](CC)[C@@H]1CCN(c2ccc(-c3ccccc3OC)nn2)C1 ZINC000071754520 454214888 /nfs/dbraw/zinc/21/48/88/454214888.db2.gz WKXFNJJUWWNZON-OAHLLOKOSA-N 1 0 326.444 3.073 50 0 EGAARO [NH3+]CCCCCC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071762799 454215208 /nfs/dbraw/zinc/21/52/08/454215208.db2.gz TZWQWLXJUWTXBW-OAHLLOKOSA-N 1 0 345.270 3.412 50 0 EGAARO COc1ccc(Cl)cc1NC(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000095511613 454225298 /nfs/dbraw/zinc/22/52/98/454225298.db2.gz NBCWOGLSWGNALX-DZGCQCFKSA-N 1 0 339.867 3.399 50 0 EGAARO O=C([C@H]1CC[NH2+]C1)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095512580 454225453 /nfs/dbraw/zinc/22/54/53/454225453.db2.gz XWBKFRXGFPPMPO-SFHVURJKSA-N 1 0 334.463 3.205 50 0 EGAARO C[NH+](C)CCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000046721886 454276922 /nfs/dbraw/zinc/27/69/22/454276922.db2.gz JJKIGXHRKWKFPP-UHFFFAOYSA-N 1 0 337.423 3.290 50 0 EGAARO c1ccc(C[NH+]2CCC(Cc3nc([C@H]4CCOC4)no3)CC2)cc1 ZINC000096139695 454291381 /nfs/dbraw/zinc/29/13/81/454291381.db2.gz WYGKEUOUNADHAA-KRWDZBQOSA-N 1 0 327.428 3.028 50 0 EGAARO c1ccc(C[NH+]2CCC(Nc3nccc(-c4ccccn4)n3)CC2)nc1 ZINC000096137493 454291725 /nfs/dbraw/zinc/29/17/25/454291725.db2.gz YAIVWBZQNNJGIA-UHFFFAOYSA-N 1 0 346.438 3.010 50 0 EGAARO Cc1nnc2n1C[C@H]([NH2+]Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000097199480 454421883 /nfs/dbraw/zinc/42/18/83/454421883.db2.gz WHIHMOHNLIIIKA-CYBMUJFWSA-N 1 0 326.375 3.090 50 0 EGAARO CC[C@@]1(CO)CCC[N@H+](Cc2ccccc2-n2nc(C)cc2C)C1 ZINC000091364574 454430228 /nfs/dbraw/zinc/43/02/28/454430228.db2.gz SVHNEZDOXXGXMF-HXUWFJFHSA-N 1 0 327.472 3.474 50 0 EGAARO Cc1nc2c(c(N3CCC4(C=Cc5ccccc54)CC3)n1)CC[NH2+]CC2 ZINC000063845904 454454703 /nfs/dbraw/zinc/45/47/03/454454703.db2.gz FGUBOOZAWFRLQA-UHFFFAOYSA-N 1 0 346.478 3.038 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1cccs1)Cc1cnc2ccccc2n1 ZINC000063884989 454457654 /nfs/dbraw/zinc/45/76/54/454457654.db2.gz IVFXPOBYRSPQHD-HNNXBMFYSA-N 1 0 327.453 3.464 50 0 EGAARO CC(C)[N@H+](C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000048330204 454474429 /nfs/dbraw/zinc/47/44/29/454474429.db2.gz ROYJDROHYJFGQT-UHFFFAOYSA-N 1 0 334.423 3.339 50 0 EGAARO CO[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cccs1 ZINC000065373389 454554964 /nfs/dbraw/zinc/55/49/64/454554964.db2.gz ADRBOGGTLBPPAA-QGZVFWFLSA-N 1 0 344.480 3.330 50 0 EGAARO COc1ccccc1OCC[N@@H+]1CCC[C@@H](Cc2cccnc2)C1 ZINC000065393595 454559055 /nfs/dbraw/zinc/55/90/55/454559055.db2.gz AMSDLFBOFSAXEC-SFHVURJKSA-N 1 0 326.440 3.424 50 0 EGAARO C[C@H]1CCCN(C(=O)CC[NH+]2CCC(c3cccc(O)c3)CC2)C1 ZINC000065393587 454559154 /nfs/dbraw/zinc/55/91/54/454559154.db2.gz FFYBHDNAPZDRAB-INIZCTEOSA-N 1 0 330.472 3.220 50 0 EGAARO C[C@@H]1CCCN(C(=O)CC[NH+]2CCC(c3cccc(O)c3)CC2)C1 ZINC000065393586 454559251 /nfs/dbraw/zinc/55/92/51/454559251.db2.gz FFYBHDNAPZDRAB-MRXNPFEDSA-N 1 0 330.472 3.220 50 0 EGAARO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1C ZINC000065436029 454566960 /nfs/dbraw/zinc/56/69/60/454566960.db2.gz UKQLDMZHPLWLNJ-LJQANCHMSA-N 1 0 337.467 3.106 50 0 EGAARO CC(C)C[N@@H+]1CCN(c2ccnc3cc(Cl)ccc32)C[C@H]1CCO ZINC000106945203 454735198 /nfs/dbraw/zinc/73/51/98/454735198.db2.gz NTBJEYDUWFPKSP-MRXNPFEDSA-N 1 0 347.890 3.417 50 0 EGAARO COc1ccc2c(C)nc(N(C)CC[N@@H+]3CCCC[C@H]3C)nc2c1 ZINC000247956796 455660579 /nfs/dbraw/zinc/66/05/79/455660579.db2.gz CZWRVDMRYGEXBS-CQSZACIVSA-N 1 0 328.460 3.257 50 0 EGAARO C[N@H+](Cc1cnc(SCc2ccccc2)nc1)C1CCOCC1 ZINC000215691421 456026348 /nfs/dbraw/zinc/02/63/48/456026348.db2.gz HWOPPDBHGUKDLU-UHFFFAOYSA-N 1 0 329.469 3.380 50 0 EGAARO C[NH+](C)CCCC(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000220294803 456039258 /nfs/dbraw/zinc/03/92/58/456039258.db2.gz ZRJKUYXPFFTJIT-GOSISDBHSA-N 1 0 331.847 3.282 50 0 EGAARO CCCO[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000221440347 456043350 /nfs/dbraw/zinc/04/33/50/456043350.db2.gz ZBBNTWFJJATOMD-LJQANCHMSA-N 1 0 344.499 3.068 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588847 456178339 /nfs/dbraw/zinc/17/83/39/456178339.db2.gz ZEHYKHOEBGWMCH-SJORKVTESA-N 1 0 331.485 3.130 50 0 EGAARO CC(C)[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)n1cccc1 ZINC000263587733 456178474 /nfs/dbraw/zinc/17/84/74/456178474.db2.gz KQFHJESTNXQGAI-LJQANCHMSA-N 1 0 340.471 3.076 50 0 EGAARO CO[C@]12CC[N@H+](Cc3c(C)noc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299764256 456781077 /nfs/dbraw/zinc/78/10/77/456781077.db2.gz RBPGDJZLCURLMQ-YTQUADARSA-N 1 0 334.460 3.230 50 0 EGAARO CO[C@]12CC[N@H+](CCCSC)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426372065 457813359 /nfs/dbraw/zinc/81/33/59/457813359.db2.gz MRMYJZUPLYVFMF-SOLBZPMBSA-N 1 0 336.501 3.226 50 0 EGAARO Cc1cc(C)nc(CN(C)C(=O)NCCCC[NH+]2CCCCCC2)c1 ZINC000426382903 457817374 /nfs/dbraw/zinc/81/73/74/457817374.db2.gz KFMABDFQWSAJEH-UHFFFAOYSA-N 1 0 346.519 3.496 50 0 EGAARO Cc1nc(C)c(-c2ccc(C(=O)N[C@@H]3C[NH+]4CCC3CC4)cc2)s1 ZINC000426633880 457867469 /nfs/dbraw/zinc/86/74/69/457867469.db2.gz LAHWRBLBHRPCHA-QGZVFWFLSA-N 1 0 341.480 3.251 50 0 EGAARO Cc1cccc([C@@H](C)NC(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000534581114 459335192 /nfs/dbraw/zinc/33/51/92/459335192.db2.gz DLVGACGZHQBDIA-MRXNPFEDSA-N 1 0 330.476 3.111 50 0 EGAARO Cc1ccccc1[C@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000534663311 459344584 /nfs/dbraw/zinc/34/45/84/459344584.db2.gz QCWIGSZOQCAKGB-HXUWFJFHSA-N 1 0 337.467 3.432 50 0 EGAARO O=C(NC1CCC1)c1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000584900561 459820953 /nfs/dbraw/zinc/82/09/53/459820953.db2.gz KYNYPGAOTCRHKA-UHFFFAOYSA-N 1 0 335.451 3.046 50 0 EGAARO CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)[nH]n1 ZINC000215976369 535106365 /nfs/dbraw/zinc/10/63/65/535106365.db2.gz OILNPULZSGFVEJ-AWEZNQCLSA-N 1 0 338.459 3.130 50 0 EGAARO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@@H]2CC(CC)=NO2)CC1 ZINC000244633428 535295248 /nfs/dbraw/zinc/29/52/48/535295248.db2.gz GCVHPADLEZLHPZ-IBGZPJMESA-N 1 0 343.471 3.449 50 0 EGAARO COc1cccc(-c2ncc(C[N@H+](C)CCn3ccnc3)s2)c1 ZINC000215106225 537069800 /nfs/dbraw/zinc/06/98/00/537069800.db2.gz WAHHNWUQXXTTDE-UHFFFAOYSA-N 1 0 328.441 3.147 50 0 EGAARO CC(C)c1noc(CCNC(=O)C2([NH+]3CCCCC3)CCCCC2)n1 ZINC000219698084 547243979 /nfs/dbraw/zinc/24/39/79/547243979.db2.gz RTBSFXIRMPKMNP-UHFFFAOYSA-N 1 0 348.491 3.041 50 0 EGAARO COc1ccc(Cn2nc(C)nc2[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000670439679 548215750 /nfs/dbraw/zinc/21/57/50/548215750.db2.gz DNLMEUSKHUUAGP-RTBURBONSA-N 1 0 340.471 3.375 50 0 EGAARO Cc1[nH]nc2c1C[N@@H+](C1CCN(c3ccc(F)c(F)c3)CC1)CC2 ZINC000670457249 548219327 /nfs/dbraw/zinc/21/93/27/548219327.db2.gz LKLZEBIQQKWERN-UHFFFAOYSA-N 1 0 332.398 3.023 50 0 EGAARO COc1ncc(CN2CCC([C@@H]3CC[N@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012587560 1291133315 /nfs/dbraw/zinc/13/33/15/1291133315.db2.gz AKOHVNPJCMNJOO-GOSISDBHSA-N 1 0 346.519 3.065 50 0 EGAARO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000827861542 1292390543 /nfs/dbraw/zinc/39/05/43/1292390543.db2.gz LTRYTXDQZODRCG-AWEZNQCLSA-N 1 0 349.525 3.145 50 0 EGAARO c1ccc(C[N@@H+]2CC[C@H](Nc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000096160464 1292949115 /nfs/dbraw/zinc/94/91/15/1292949115.db2.gz VANSHFHTUBYKOA-SFHVURJKSA-N 1 0 331.423 3.225 50 0 EGAARO CC(C)Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)n[nH]1 ZINC000821439096 1320013119 /nfs/dbraw/zinc/01/31/19/1320013119.db2.gz RZBXGMKXPNVZSB-UHFFFAOYSA-N 1 0 326.444 3.456 50 0 EGAARO CCN(CCNC(=O)C1([NH+]2CCCC2)CCCC1)c1cccc(C)c1 ZINC000823090813 1320153880 /nfs/dbraw/zinc/15/38/80/1320153880.db2.gz ZSMVGHNCOCQMBP-UHFFFAOYSA-N 1 0 343.515 3.346 50 0 EGAARO CCn1ncc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1C ZINC000823603434 1320191072 /nfs/dbraw/zinc/19/10/72/1320191072.db2.gz JZRACSBCTCKVRW-NRFANRHFSA-N 1 0 340.515 3.350 50 0 EGAARO Cc1ccc(-c2cccc(C[N@@H+](C)C3CCS(=O)(=O)CC3)c2)o1 ZINC000823668403 1320197382 /nfs/dbraw/zinc/19/73/82/1320197382.db2.gz DAUQSZGUBRBYAA-UHFFFAOYSA-N 1 0 333.453 3.264 50 0 EGAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc(C4CC4)no3)cc2)CC1 ZINC000823764801 1320204319 /nfs/dbraw/zinc/20/43/19/1320204319.db2.gz HCGGCGVUHZGWLK-UHFFFAOYSA-N 1 0 341.411 3.277 50 0 EGAARO C[NH+](C)C[C@H]1CC[C@@H](Cc2nc3c(c(C(F)(F)F)n2)CCCC3)O1 ZINC000952854547 1334581844 /nfs/dbraw/zinc/58/18/44/1334581844.db2.gz RJOIYTLILVJIBN-NWDGAFQWSA-N 1 0 343.393 3.026 50 0 EGAARO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cnn(-c2cccc(F)c2)c1 ZINC000952869090 1334583923 /nfs/dbraw/zinc/58/39/23/1334583923.db2.gz IBQQTMQWLJAIMG-SFHVURJKSA-N 1 0 341.434 3.412 50 0 EGAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc(-c2ccccn2)[nH]n1 ZINC000952867551 1334583983 /nfs/dbraw/zinc/58/39/83/1334583983.db2.gz OVISWUZTSFCCFK-UHFFFAOYSA-N 1 0 347.422 3.320 50 0 EGAARO Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C[NH+]3CCCC3)o2)no1 ZINC000952964973 1334626208 /nfs/dbraw/zinc/62/62/08/1334626208.db2.gz AZMHEMHMNXKXIM-INIZCTEOSA-N 1 0 329.400 3.149 50 0 EGAARO Cc1ccsc1C(=O)NCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000952973197 1334627768 /nfs/dbraw/zinc/62/77/68/1334627768.db2.gz KSQRVSSUDAIIFE-UHFFFAOYSA-N 1 0 329.469 3.406 50 0 EGAARO CCc1nn(C)c(Cl)c1C[NH2+][C@@H](C)CN1CCc2ccccc2C1 ZINC000952985431 1334630658 /nfs/dbraw/zinc/63/06/58/1334630658.db2.gz VXEOVXKSKOZXPK-AWEZNQCLSA-N 1 0 346.906 3.172 50 0 EGAARO CCc1cc(N2C[C@H]3[C@@H](C2)CCC[C@]3(O)CC)nc(N2CCCC2)[nH+]1 ZINC001704338469 1416448737 /nfs/dbraw/zinc/44/87/37/1416448737.db2.gz BRLPJCIBRQDOHU-OXFYSEKESA-N 1 0 344.503 3.017 50 0 EGAARO OC[C@@]12C[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]1COCC2 ZINC001772710731 1441417327 /nfs/dbraw/zinc/41/73/27/1441417327.db2.gz DROGTHQLCMQXFK-DENIHFKCSA-N 1 0 335.447 3.089 50 0 EGAARO COc1cc(C)ccc1OCC[NH+]1CCC(c2cc[nH]c(=O)c2)CC1 ZINC001772805380 1441417349 /nfs/dbraw/zinc/41/73/49/1441417349.db2.gz MOASVZOGAIOQTN-UHFFFAOYSA-N 1 0 342.439 3.363 50 0 EGAARO CCC[N@@H+]1C[C@H]2CN(c3cnccn3)C[C@@]2(CCc2ccccc2)C1 ZINC001772806182 1441417354 /nfs/dbraw/zinc/41/73/54/1441417354.db2.gz VHMNLVDVYMDDJV-PZJWPPBQSA-N 1 0 336.483 3.258 50 0 EGAARO O=C(NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)c[nH]1 ZINC000097743673 219053205 /nfs/dbraw/zinc/05/32/05/219053205.db2.gz DYDPTGNXQMRTQW-HNNXBMFYSA-N 1 0 331.847 3.310 50 0 EGAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(C(C)C)nn2C)s1 ZINC000055072530 214269030 /nfs/dbraw/zinc/26/90/30/214269030.db2.gz ZRQMEUFSWHBHFQ-UHFFFAOYSA-N 1 0 348.516 3.117 50 0 EGAARO FC(F)(F)c1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000097743119 219053506 /nfs/dbraw/zinc/05/35/06/219053506.db2.gz ODFYQYWKILKNHY-QGZVFWFLSA-N 1 0 342.405 3.392 50 0 EGAARO c1nc(CC[NH2+]Cc2cnc(-c3ccc4ccccc4c3)nc2)c[nH]1 ZINC000055166061 214281771 /nfs/dbraw/zinc/28/17/71/214281771.db2.gz KKNKHCUQSGOWGK-UHFFFAOYSA-N 1 0 329.407 3.352 50 0 EGAARO CCCCN(Cc1sccc1C)C(=O)[C@@H]([NH3+])Cc1cscn1 ZINC000055168925 214282821 /nfs/dbraw/zinc/28/28/21/214282821.db2.gz AGBUJGDQGUKKBX-AWEZNQCLSA-N 1 0 337.514 3.212 50 0 EGAARO CC(C)C[N@H+](CCn1c2ccccc2oc1=O)Cc1ccccn1 ZINC000055211389 214288623 /nfs/dbraw/zinc/28/86/23/214288623.db2.gz XTWREVMVXNQNGE-UHFFFAOYSA-N 1 0 325.412 3.148 50 0 EGAARO O=S(=O)(c1ccccc1)N1CC[NH+](C2CCCCCCC2)CC1 ZINC000055374417 214314642 /nfs/dbraw/zinc/31/46/42/214314642.db2.gz BOVMIEZUNSQJTD-UHFFFAOYSA-N 1 0 336.501 3.106 50 0 EGAARO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000056908338 214395097 /nfs/dbraw/zinc/39/50/97/214395097.db2.gz JVFFOAOSYLVLMR-LBPRGKRZSA-N 1 0 330.350 3.002 50 0 EGAARO Cc1ncsc1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000014966081 282231108 /nfs/dbraw/zinc/23/11/08/282231108.db2.gz XUMYJAYVZKOSCA-IBGZPJMESA-N 1 0 347.528 3.109 50 0 EGAARO CCN(CC)Cc1cn(C2CC[NH+](C3CCCCCC3)CC2)nn1 ZINC000048196061 213894828 /nfs/dbraw/zinc/89/48/28/213894828.db2.gz MFTLIGNZJGXUKK-UHFFFAOYSA-N 1 0 333.524 3.480 50 0 EGAARO COc1cc(OC)cc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000004029354 210102954 /nfs/dbraw/zinc/10/29/54/210102954.db2.gz YPISTRWBQFGSPW-KBXCAEBGSA-N 1 0 333.428 3.125 50 0 biogenic EGAARO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C(C)C)C3)c(C)c1 ZINC000067605485 215167507 /nfs/dbraw/zinc/16/75/07/215167507.db2.gz KOMYAFTWEYLOJD-OAQYLSRUSA-N 1 0 344.499 3.474 50 0 EGAARO CC(=O)NC[C@H]1CCC[N@H+](C/C(C)=C/c2cc(Cl)ccc2O)C1 ZINC000067692137 215187322 /nfs/dbraw/zinc/18/73/22/215187322.db2.gz UQKIELUHHFEOCQ-XETPBLJFSA-N 1 0 336.863 3.297 50 0 EGAARO O=C(NC[C@H]1CC[N@H+](Cc2ccncc2)C1)c1cc2ccccc2o1 ZINC000067756331 215204053 /nfs/dbraw/zinc/20/40/53/215204053.db2.gz KCVWUFJHJUMKTF-MRXNPFEDSA-N 1 0 335.407 3.080 50 0 EGAARO COc1ccc(F)c(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000067802742 215215202 /nfs/dbraw/zinc/21/52/02/215215202.db2.gz MONHMOHLJYPUEC-UHFFFAOYSA-N 1 0 338.423 3.323 50 0 EGAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000067802671 215215640 /nfs/dbraw/zinc/21/56/40/215215640.db2.gz NOVRNZBNMXBLIT-UHFFFAOYSA-N 1 0 326.387 3.454 50 0 EGAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000067834442 215224323 /nfs/dbraw/zinc/22/43/23/215224323.db2.gz VUKJTCYOXBLPBA-UHFFFAOYSA-N 1 0 328.460 3.094 50 0 EGAARO Cc1occc1C(=O)NCC[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000067867598 215235040 /nfs/dbraw/zinc/23/50/40/215235040.db2.gz BCNMROUPRJMGNC-MRXNPFEDSA-N 1 0 342.439 3.326 50 0 EGAARO C[N@H+](CCc1nc2ccccc2[nH]1)Cc1cc2ccccc2[nH]c1=O ZINC000067920733 215250155 /nfs/dbraw/zinc/25/01/55/215250155.db2.gz HNXNBXKHZYUUTD-UHFFFAOYSA-N 1 0 332.407 3.079 50 0 EGAARO [NH3+]CCC(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067921720 215251016 /nfs/dbraw/zinc/25/10/16/215251016.db2.gz SESNXJYEMLDSLU-UHFFFAOYSA-N 1 0 347.418 3.242 50 0 EGAARO CC(C)[N@@H+]1CCN(Cc2ccccc2-c2ccco2)C[C@H]1CCO ZINC000104522663 219393248 /nfs/dbraw/zinc/39/32/48/219393248.db2.gz MAHAVLUAFFSGDV-GOSISDBHSA-N 1 0 328.456 3.224 50 0 EGAARO CC(C)CC[N@@H+]1CCN(Cc2c(F)cccc2Cl)C[C@H]1CCO ZINC000104535339 219393308 /nfs/dbraw/zinc/39/33/08/219393308.db2.gz WUHILZDUPLNMOU-OAHLLOKOSA-N 1 0 342.886 3.394 50 0 EGAARO CCc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000039421079 213235529 /nfs/dbraw/zinc/23/55/29/213235529.db2.gz JZYVPJSXOBPTSA-JOCHJYFZSA-N 1 0 338.495 3.318 50 0 EGAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ccc(NC3CC3)nn2)c1 ZINC000071615133 215789511 /nfs/dbraw/zinc/78/95/11/215789511.db2.gz QQPHVRGFEOCHMG-INIZCTEOSA-N 1 0 338.455 3.498 50 0 EGAARO CC(C)(C)c1ccc(C(=O)CCC[N@@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000072128067 216019838 /nfs/dbraw/zinc/01/98/38/216019838.db2.gz XEGUOMYHTLMSCV-NRFANRHFSA-N 1 0 347.499 3.156 50 0 EGAARO CCCNC(=O)C1([N@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072120961 216013342 /nfs/dbraw/zinc/01/33/42/216013342.db2.gz PMXKTEAEHREFFU-UHFFFAOYSA-N 1 0 336.479 3.225 50 0 EGAARO O=C(NCCc1ccccc1Cl)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072135508 216024847 /nfs/dbraw/zinc/02/48/47/216024847.db2.gz AKWUNAISPINPDC-OAHLLOKOSA-N 1 0 328.843 3.389 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000072153269 216041842 /nfs/dbraw/zinc/04/18/42/216041842.db2.gz GCYQLYNJBGYESL-GFCCVEGCSA-N 1 0 335.498 3.428 50 0 EGAARO CCCNc1ncc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cn1 ZINC000072156098 216045047 /nfs/dbraw/zinc/04/50/47/216045047.db2.gz IEDXXJSLZSYIEW-UHFFFAOYSA-N 1 0 343.450 3.150 50 0 EGAARO CCC[C@H](CNc1nc(C2CCCC2)nc2c1cnn2C)[NH+](C)C ZINC000072172982 216063479 /nfs/dbraw/zinc/06/34/79/216063479.db2.gz FZYNGQMEGSXSFI-CQSZACIVSA-N 1 0 330.480 3.163 50 0 EGAARO c1csc([C@H](Nc2ncnc3c2CC[NH2+]CC3)c2ccccc2)c1 ZINC000072408560 216199443 /nfs/dbraw/zinc/19/94/43/216199443.db2.gz WCEYJLJKXYVPHX-GOSISDBHSA-N 1 0 336.464 3.428 50 0 EGAARO Cc1cc(NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)n2nccc2n1 ZINC000072410209 216202377 /nfs/dbraw/zinc/20/23/77/216202377.db2.gz VNNJYCYXCZFJRS-SFHVURJKSA-N 1 0 335.455 3.329 50 0 EGAARO c1ccc(CNc2ncnc3c2CC[N@H+](C[C@H]2CC=CCC2)CC3)nc1 ZINC000072419485 216207781 /nfs/dbraw/zinc/20/77/81/216207781.db2.gz PFYACMCUWCDATL-KRWDZBQOSA-N 1 0 349.482 3.241 50 0 EGAARO C[C@@H](C1CCN(Cc2ccc(F)c(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000072421355 216208930 /nfs/dbraw/zinc/20/89/30/216208930.db2.gz NDDLJDIHMCHJLB-AWEZNQCLSA-N 1 0 340.870 3.412 50 0 EGAARO CN(CC[NH+]1CCCCCC1)C(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072422726 216212208 /nfs/dbraw/zinc/21/22/08/216212208.db2.gz NYRKJNGCABTGOL-UHFFFAOYSA-N 1 0 346.515 3.338 50 0 EGAARO Cc1cc2nc(-c3ccccc3)cc(N3CC[C@]4(CC[N@@H+](C)C4)C3)n2n1 ZINC000072453625 216240436 /nfs/dbraw/zinc/24/04/36/216240436.db2.gz KZNXQXJAMQGUKC-NRFANRHFSA-N 1 0 347.466 3.237 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)ccc1Cl ZINC000037975157 213178801 /nfs/dbraw/zinc/17/88/01/213178801.db2.gz JTGJJBGSIMXEEB-LLVKDONJSA-N 1 0 345.668 3.317 50 0 EGAARO c1c(CN2CCC([NH+]3CCSCC3)CC2)onc1-c1ccccc1 ZINC000215352868 241120145 /nfs/dbraw/zinc/12/01/45/241120145.db2.gz GVDFCQVKRJBSIH-UHFFFAOYSA-N 1 0 343.496 3.355 50 0 EGAARO CCc1ccc(C[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)nc1 ZINC000215707151 241139741 /nfs/dbraw/zinc/13/97/41/241139741.db2.gz VBHLQELQPNZIKG-UHFFFAOYSA-N 1 0 326.444 3.359 50 0 EGAARO Cc1ccc2cc(C(=O)N(C)CC[NH+]3CCCCCC3)n(C)c2c1 ZINC000216132433 241168280 /nfs/dbraw/zinc/16/82/80/241168280.db2.gz ZUVUUYXYHCKWLG-UHFFFAOYSA-N 1 0 327.472 3.435 50 0 EGAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CCc1cnn(C)c1 ZINC000216352017 241186024 /nfs/dbraw/zinc/18/60/24/241186024.db2.gz KVKOJGJNEKRFHK-UHFFFAOYSA-N 1 0 341.434 3.036 50 0 EGAARO C[N@H+](CC[C@H]1CCCCO1)Cc1cnc(NCc2ccccc2)nc1 ZINC000215541702 241131187 /nfs/dbraw/zinc/13/11/87/241131187.db2.gz KRRZMKDKTVRGSD-LJQANCHMSA-N 1 0 340.471 3.480 50 0 EGAARO Fc1ccccc1OCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022033105 212272264 /nfs/dbraw/zinc/27/22/64/212272264.db2.gz HAZUCIGBFAOUBK-UHFFFAOYSA-N 1 0 328.431 3.412 50 0 EGAARO Cc1nc(CCN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cs1 ZINC000244828675 243087823 /nfs/dbraw/zinc/08/78/23/243087823.db2.gz UAMHCGZXCFBEPI-FQEVSTJZSA-N 1 0 341.524 3.169 50 0 EGAARO C[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756475 212169491 /nfs/dbraw/zinc/16/94/91/212169491.db2.gz UKMMIHKBIFDMAW-VQTJNVASSA-N 1 0 329.415 3.149 50 0 EGAARO C[NH+](C)CCCNc1ccc(-c2ccc(Br)cc2)nn1 ZINC000020723534 212165563 /nfs/dbraw/zinc/16/55/63/212165563.db2.gz LLGUZWAUCSIJGW-UHFFFAOYSA-N 1 0 335.249 3.270 50 0 EGAARO Cc1ccc(OCCCC[NH2+]CCN2CCOCC2)c(C(C)(C)C)c1 ZINC000020500038 212140309 /nfs/dbraw/zinc/14/03/09/212140309.db2.gz SSDYYNLNPDHPTJ-UHFFFAOYSA-N 1 0 348.531 3.373 50 0 EGAARO CCOc1ccc(CN2CC[N@@H+](C3CCCCC3)C[C@@H]2CCO)cc1 ZINC000020451911 212131065 /nfs/dbraw/zinc/13/10/65/212131065.db2.gz DMPOBLQNEBGETG-FQEVSTJZSA-N 1 0 346.515 3.287 50 0 EGAARO COc1ccc(CCN(C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000020235461 212112949 /nfs/dbraw/zinc/11/29/49/212112949.db2.gz WHMQVSZDODJWRL-GOSISDBHSA-N 1 0 332.488 3.195 50 0 EGAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)cc(C)[nH+]1 ZINC000077420189 216899660 /nfs/dbraw/zinc/89/96/60/216899660.db2.gz QUSFHNMDUIFMIC-FQEVSTJZSA-N 1 0 327.472 3.317 50 0 EGAARO Cc1nc(C(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)c(C)o1 ZINC000077454674 216907507 /nfs/dbraw/zinc/90/75/07/216907507.db2.gz WEOHUBOTEYENBT-UHFFFAOYSA-N 1 0 341.455 3.276 50 0 EGAARO COc1cc(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cc(OC)c1O ZINC000019789310 212066780 /nfs/dbraw/zinc/06/67/80/212066780.db2.gz NNQCYMFRGHHYQH-NVXWUHKLSA-N 1 0 348.487 3.106 50 0 EGAARO COc1cccc(CN2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c1OC ZINC000019788507 212066784 /nfs/dbraw/zinc/06/67/84/212066784.db2.gz KNFCKSJZLITXJK-WMZOPIPTSA-N 1 0 332.488 3.400 50 0 EGAARO Cc1cccc(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000019361409 212021241 /nfs/dbraw/zinc/02/12/41/212021241.db2.gz LIUOSBCOZMLKBZ-UHFFFAOYSA-N 1 0 337.467 3.141 50 0 EGAARO Cc1ncc2c(c1-c1noc(C[C@@H]3CCc4ccccc43)n1)CC[NH2+]C2 ZINC000019145996 212001883 /nfs/dbraw/zinc/00/18/83/212001883.db2.gz IAMQVLBAUHSJAQ-HNNXBMFYSA-N 1 0 346.434 3.358 50 0 EGAARO Fc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)c1F ZINC000012447604 211386060 /nfs/dbraw/zinc/38/60/60/211386060.db2.gz ZQUTURRGZRUNNJ-LJQANCHMSA-N 1 0 346.425 3.176 50 0 EGAARO O=C(CSc1ccncc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012434962 211380289 /nfs/dbraw/zinc/38/02/89/211380289.db2.gz KQRWSYCIUMXIFA-MRXNPFEDSA-N 1 0 347.528 3.477 50 0 EGAARO CCc1noc(C)c1C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012005635 211279201 /nfs/dbraw/zinc/27/92/01/211279201.db2.gz OKSMWERNAWOODK-INIZCTEOSA-N 1 0 333.476 3.320 50 0 EGAARO COc1cccc(OC)c1C[N@@H+]1CC[C@@H](Cc2ccc(CO)cc2)C1 ZINC000091848182 218076475 /nfs/dbraw/zinc/07/64/75/218076475.db2.gz MWVJIZTZNGFEJU-SFHVURJKSA-N 1 0 341.451 3.261 50 0 EGAARO Cc1cc(O[C@H](C)C(=O)NCCC[NH+]2CCCC2)cc(C)c1Cl ZINC000010539092 211178825 /nfs/dbraw/zinc/17/88/25/211178825.db2.gz GFFLJWXRILGBAJ-OAHLLOKOSA-N 1 0 338.879 3.326 50 0 EGAARO Cc1n[nH]c(C)c1CCN(C)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095356965 218290435 /nfs/dbraw/zinc/29/04/35/218290435.db2.gz GGFHHBKPTPSENX-UHFFFAOYSA-N 1 0 346.519 3.072 50 0 EGAARO O=C(NCCCOC1CCCC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095357857 218292004 /nfs/dbraw/zinc/29/20/04/218292004.db2.gz CGIMKOMWJCNVON-GOSISDBHSA-N 1 0 330.472 3.233 50 0 EGAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000095374595 218307510 /nfs/dbraw/zinc/30/75/10/218307510.db2.gz QDCQGXVDEXDPAF-SFHVURJKSA-N 1 0 349.482 3.377 50 0 EGAARO Cc1noc2ncnc(NCC[N@@H+]3CC[C@@H](c4ccccc4C)C3)c12 ZINC000095368657 218301883 /nfs/dbraw/zinc/30/18/83/218301883.db2.gz VGDFRHCHWJWULS-OAHLLOKOSA-N 1 0 337.427 3.136 50 0 EGAARO Cc1ccc2[nH]c(CNC(=O)CCC[NH+]3CCCCC3)nc2c1C ZINC000095382208 218314896 /nfs/dbraw/zinc/31/48/96/218314896.db2.gz DKTMVGCTLMMCSE-UHFFFAOYSA-N 1 0 328.460 3.062 50 0 EGAARO CCc1nc(C)sc1CNC(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095388204 218320672 /nfs/dbraw/zinc/32/06/72/218320672.db2.gz WZMWJAXMAFJIOZ-AWEZNQCLSA-N 1 0 335.517 3.285 50 0 EGAARO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](CCCCCCO)CC2 ZINC000095391712 218324085 /nfs/dbraw/zinc/32/40/85/218324085.db2.gz KNHHNAUHHSYDGL-IBGZPJMESA-N 1 0 344.499 3.020 50 0 EGAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1cccc(Br)c1 ZINC000004818932 210286363 /nfs/dbraw/zinc/28/63/63/210286363.db2.gz ORTDQBFSDSJVRQ-GFCCVEGCSA-N 1 0 326.234 3.480 50 0 EGAARO c1cnc2c(c1)cccc2-n1nc(C2CCOCC2)nc1[C@H]1CCC[NH2+]1 ZINC000097568821 219035562 /nfs/dbraw/zinc/03/55/62/219035562.db2.gz WXUPTTPMSCTTSW-MRXNPFEDSA-N 1 0 349.438 3.134 50 0 EGAARO O=C(c1ccc(-c2ccncc2F)cc1)N1CC([NH+]2CCCCC2)C1 ZINC000426667741 257959336 /nfs/dbraw/zinc/95/93/36/257959336.db2.gz ZCUCWSRALMMWMG-UHFFFAOYSA-N 1 0 339.414 3.198 50 0 EGAARO Cc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)o1 ZINC000299771645 258084015 /nfs/dbraw/zinc/08/40/15/258084015.db2.gz VHCWAODALLVKFN-ZCNNSNEGSA-N 1 0 338.451 3.472 50 0 EGAARO O=C(Nc1ccccc1Oc1ccc(F)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299783254 258091417 /nfs/dbraw/zinc/09/14/17/258091417.db2.gz ZITAVSFHKNALCG-SUMWQHHRSA-N 1 0 341.386 3.444 50 0 EGAARO Oc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2cccnc12 ZINC000054073054 132189860 /nfs/dbraw/zinc/18/98/60/132189860.db2.gz AJDWXWDRBQKMLM-UHFFFAOYSA-N 1 0 337.398 3.402 50 0 EGAARO Cc1ccc2nc(N3CCC(OCC[NH+](C)C)CC3)cc(C)c2c1 ZINC000055371141 132194789 /nfs/dbraw/zinc/19/47/89/132194789.db2.gz PNPUNQUHJHCSCC-UHFFFAOYSA-N 1 0 327.472 3.399 50 0 EGAARO Brc1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042776124 273473463 /nfs/dbraw/zinc/47/34/63/273473463.db2.gz QEWCJPDXCDEGKM-UHFFFAOYSA-N 1 0 335.039 3.342 50 0 EGAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccn3)=NN12 ZINC000005093248 273650575 /nfs/dbraw/zinc/65/05/75/273650575.db2.gz HPPHKSHFJYBYCM-IBGZPJMESA-N 1 0 348.450 3.437 50 0 EGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 ZINC000005442541 273872200 /nfs/dbraw/zinc/87/22/00/273872200.db2.gz ZEDKUCDXZFKSCZ-GOSISDBHSA-N 1 0 334.423 3.047 50 0 EGAARO Cc1cc(=O)c2cccc(-c3cc(Cl)cc4c3O[C@@H](C[NH3+])C4)c2[nH]1 ZINC000067655049 274674643 /nfs/dbraw/zinc/67/46/43/274674643.db2.gz LNUSLYJYYXZMSZ-CYBMUJFWSA-N 1 0 340.810 3.419 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000020662016 276188187 /nfs/dbraw/zinc/18/81/87/276188187.db2.gz OLQXGCQNVBDFEM-INIZCTEOSA-N 1 0 336.443 3.020 50 0 EGAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000005442531 277036402 /nfs/dbraw/zinc/03/64/02/277036402.db2.gz ZEDKUCDXZFKSCZ-SFHVURJKSA-N 1 0 334.423 3.047 50 0 EGAARO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccccc1C ZINC000001710805 279107747 /nfs/dbraw/zinc/10/77/47/279107747.db2.gz FKCXACFYSSGCBJ-OAQYLSRUSA-N 1 0 341.451 3.116 50 0 EGAARO CCOC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000000216074 279570261 /nfs/dbraw/zinc/57/02/61/279570261.db2.gz VBJLHLJHJBXJNV-UHFFFAOYSA-N 1 0 341.249 3.160 50 0 EGAARO Cc1ccc2ncccc2c1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000215385917 281171309 /nfs/dbraw/zinc/17/13/09/281171309.db2.gz HXIFJHVNVSZCSH-SFHVURJKSA-N 1 0 339.483 3.230 50 0 EGAARO Cc1nc2sc3c(ncnc3NCC[NH+](C)C)c2c2c1CCCC2 ZINC000004836858 293561167 /nfs/dbraw/zinc/56/11/67/293561167.db2.gz SHEGXLHUAGQKCW-UHFFFAOYSA-N 1 0 341.484 3.400 50 0 EGAARO O=C(CC[N@@H+]1CCCC[C@@H]1CCc1ccccn1)Nc1cccnc1 ZINC000244811492 455277142 /nfs/dbraw/zinc/27/71/42/455277142.db2.gz SDSKRQVXGIWMOQ-LJQANCHMSA-N 1 0 338.455 3.293 50 0 EGAARO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1 ZINC000000119953 452512813 /nfs/dbraw/zinc/51/28/13/452512813.db2.gz PTEXXNGSYDXXIJ-UHFFFAOYSA-N 1 0 345.393 3.116 50 0 EGAARO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OC)cc1OC ZINC000001617769 452669097 /nfs/dbraw/zinc/66/90/97/452669097.db2.gz RZNLZECAKUHOIU-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 EGAARO COc1ccccc1C(=O)N1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000002734967 452717903 /nfs/dbraw/zinc/71/79/03/452717903.db2.gz IHQWZVGNHFCNKW-HOTGVXAUSA-N 1 0 330.472 3.278 50 0 EGAARO COCCC[NH2+]CCOCCOc1c(Cl)cc(C)cc1Cl ZINC000002981162 452738314 /nfs/dbraw/zinc/73/83/14/452738314.db2.gz LYGZKJQJGDUAIP-UHFFFAOYSA-N 1 0 336.259 3.323 50 0 EGAARO C[C@H]1CCc2sc3nc(SCC[NH+](C)C)n4ncnc4c3c2C1 ZINC000005533172 452882689 /nfs/dbraw/zinc/88/26/89/452882689.db2.gz FJDPGNXRIHXBHU-JTQLQIEISA-N 1 0 347.513 3.118 50 0 EGAARO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000006702363 452971941 /nfs/dbraw/zinc/97/19/41/452971941.db2.gz MTWBLMTWDALRNL-KRWDZBQOSA-N 1 0 333.403 3.274 50 0 EGAARO C[NH+](C)CCNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000007056056 453026110 /nfs/dbraw/zinc/02/61/10/453026110.db2.gz WGQNOYZGMNSMJG-UHFFFAOYSA-N 1 0 338.407 3.303 50 0 EGAARO Cc1ccc(-n2ncc3c2ncnc3NCCC[NH+](C)C)cc1Cl ZINC000008583080 453218208 /nfs/dbraw/zinc/21/82/08/453218208.db2.gz FBIBNWROWVNKPC-UHFFFAOYSA-N 1 0 344.850 3.141 50 0 EGAARO CC(C)OCCCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011782239 453333829 /nfs/dbraw/zinc/33/38/29/453333829.db2.gz YSAYWMZVFUUYOF-SFHVURJKSA-N 1 0 336.451 3.112 50 0 EGAARO CCOc1ccc2nc(N3CCC[N@@H+](C4CCC4)CC3)nc(C)c2c1 ZINC000011814632 453336126 /nfs/dbraw/zinc/33/61/26/453336126.db2.gz WRZNFKSJBPGPOW-UHFFFAOYSA-N 1 0 340.471 3.402 50 0 EGAARO O=C1N(CCc2ccccc2)CCC[C@@]12CC[N@@H+](C1CCCC1)C2 ZINC000012303944 453354466 /nfs/dbraw/zinc/35/44/66/453354466.db2.gz ZBEMABNZBAGEEM-NRFANRHFSA-N 1 0 326.484 3.486 50 0 EGAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000012592976 453377840 /nfs/dbraw/zinc/37/78/40/453377840.db2.gz UXBMWTXZQWCDBI-OAHLLOKOSA-N 1 0 331.416 3.136 50 0 EGAARO CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000012585136 453378709 /nfs/dbraw/zinc/37/87/09/453378709.db2.gz OAZFRIOXNFKYTI-KRWDZBQOSA-N 1 0 347.503 3.001 50 0 EGAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](C2CCOCC2)C1 ZINC000014961892 453549947 /nfs/dbraw/zinc/54/99/47/453549947.db2.gz TWKMWHAQZZEOFD-FQEVSTJZSA-N 1 0 331.456 3.053 50 0 EGAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCCCC2)o1 ZINC000015860174 453587366 /nfs/dbraw/zinc/58/73/66/453587366.db2.gz BBIRCJRJKMHMFV-SFHVURJKSA-N 1 0 342.439 3.310 50 0 EGAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1Br ZINC000016102456 453594263 /nfs/dbraw/zinc/59/42/63/453594263.db2.gz BPHYNPKPWOFXDN-MGPQQGTHSA-N 1 0 342.277 3.452 50 0 EGAARO Clc1cccc(N2CCN([C@@H]3CCC[N@H+](CC4CC4)C3)CC2)c1 ZINC000020779686 453668125 /nfs/dbraw/zinc/66/81/25/453668125.db2.gz UQUWGQIADNGZHP-LJQANCHMSA-N 1 0 333.907 3.336 50 0 EGAARO COc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1OCc1ccccc1 ZINC000023281980 453708452 /nfs/dbraw/zinc/70/84/52/453708452.db2.gz GFRLPUUSLLKXCD-LJQANCHMSA-N 1 0 341.451 3.479 50 0 EGAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000027794355 453820471 /nfs/dbraw/zinc/82/04/71/453820471.db2.gz HVLPRXGCIIINLB-FQEVSTJZSA-N 1 0 338.451 3.327 50 0 EGAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)CC2CC2)cs1 ZINC000053184718 453863763 /nfs/dbraw/zinc/86/37/63/453863763.db2.gz ZFCBEDZLCNCPBP-UHFFFAOYSA-N 1 0 341.480 3.349 50 0 EGAARO Cc1ccc2[nH]c(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)nc2c1C ZINC000082099451 453923973 /nfs/dbraw/zinc/92/39/73/453923973.db2.gz ZYQGKJPFIQTNPZ-MRXNPFEDSA-N 1 0 343.471 3.040 50 0 EGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2C)C1 ZINC000042784459 454025298 /nfs/dbraw/zinc/02/52/98/454025298.db2.gz PCJGLZNARMGWCW-CYBMUJFWSA-N 1 0 330.350 3.184 50 0 EGAARO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489183 454112293 /nfs/dbraw/zinc/11/22/93/454112293.db2.gz CCBZCCJFZOZWQR-MRXNPFEDSA-N 1 0 329.492 3.428 50 0 EGAARO Cc1cccn2c(C[N@@H+](C)C(C)C)c(C(=O)N3CCCCC3)nc12 ZINC000071416045 454206765 /nfs/dbraw/zinc/20/67/65/454206765.db2.gz CQCQZQDWGGCNHY-UHFFFAOYSA-N 1 0 328.460 3.109 50 0 EGAARO CC(C)[NH+]1CCC(c2nccn2C[C@@H](C)Oc2cccnc2)CC1 ZINC000071479705 454207220 /nfs/dbraw/zinc/20/72/20/454207220.db2.gz SVBOIOGRAQVQBW-MRXNPFEDSA-N 1 0 328.460 3.333 50 0 EGAARO Cc1c(O)cccc1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071746525 454212070 /nfs/dbraw/zinc/21/20/70/454212070.db2.gz JLFQAYAGTBYVBH-SFHVURJKSA-N 1 0 330.472 3.283 50 0 EGAARO Cc1cc(CN(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)on1 ZINC000095508597 454224049 /nfs/dbraw/zinc/22/40/49/454224049.db2.gz ICTUZAAIESZNSY-IBGZPJMESA-N 1 0 327.472 3.370 50 0 EGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc[nH]c1 ZINC000095529941 454228685 /nfs/dbraw/zinc/22/86/85/454228685.db2.gz WAWPTRWUBSAZAV-KRWDZBQOSA-N 1 0 343.446 3.181 50 0 EGAARO Cc1ccc2nc(C)c(C)c(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)c2c1 ZINC000095529222 454228839 /nfs/dbraw/zinc/22/88/39/454228839.db2.gz JICPITYSCFFMKI-DLBZAZTESA-N 1 0 337.467 3.469 50 0 EGAARO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000097137372 454414271 /nfs/dbraw/zinc/41/42/71/454414271.db2.gz QZEOQNLQLRZULX-QGZVFWFLSA-N 1 0 341.455 3.155 50 0 EGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCc1ccccc1C(F)(F)F ZINC000091425781 454433198 /nfs/dbraw/zinc/43/31/98/454433198.db2.gz JUNRGGPLNQIINR-HNNXBMFYSA-N 1 0 328.378 3.239 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)NC[C@@H]1CCCC[N@H+]1C)c(C)ccc2C ZINC000091635454 454454254 /nfs/dbraw/zinc/45/42/54/454454254.db2.gz PRHHSQAXYFPQOY-INIZCTEOSA-N 1 0 327.472 3.236 50 0 EGAARO CCC[C@H](C)[NH+]1CCC(n2cc(CN3CCCCCC3)nn2)CC1 ZINC000048445019 454490699 /nfs/dbraw/zinc/49/06/99/454490699.db2.gz IBCPJDBLTFUWFF-KRWDZBQOSA-N 1 0 333.524 3.480 50 0 EGAARO COc1cccc(N2CC[NH+](C[C@H](O)c3cc(C)ccc3C)CC2)c1 ZINC000065255291 454545646 /nfs/dbraw/zinc/54/56/46/454545646.db2.gz SALGTSUYJZBCIR-NRFANRHFSA-N 1 0 340.467 3.168 50 0 EGAARO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2[NH2+]CCc3nc[nH]c32)o1 ZINC000065370168 454555337 /nfs/dbraw/zinc/55/53/37/454555337.db2.gz GJCMQHIXZIPAIP-LJQANCHMSA-N 1 0 345.406 3.399 50 0 EGAARO Cn1ccnc1C[N@@H+]1CC[C@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065382381 454557830 /nfs/dbraw/zinc/55/78/30/454557830.db2.gz DDWPQFWGQGYOFY-KRWDZBQOSA-N 1 0 334.423 3.177 50 0 EGAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc(C2CC2)n[nH]1 ZINC000065417194 454564094 /nfs/dbraw/zinc/56/40/94/454564094.db2.gz BISZKDDFNTXHQV-UHFFFAOYSA-N 1 0 332.835 3.401 50 0 EGAARO CCc1ccccc1OCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000065463871 454571834 /nfs/dbraw/zinc/57/18/34/454571834.db2.gz FTZUDJAEIMDEGD-UHFFFAOYSA-N 1 0 326.440 3.156 50 0 EGAARO Cc1ccccc1-c1noc(C[NH2+][C@H](Cn2ccnc2)C(C)C)n1 ZINC000065509057 454580928 /nfs/dbraw/zinc/58/09/28/454580928.db2.gz JELBWASLNKPROO-MRXNPFEDSA-N 1 0 325.416 3.056 50 0 EGAARO COc1cc(Cl)c(CN2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000247879937 455652574 /nfs/dbraw/zinc/65/25/74/455652574.db2.gz IRQDVYNFDYEIQK-NSHDSACASA-N 1 0 345.270 3.291 50 0 EGAARO C[C@H](O)[C@]1([NH3+])CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000261361529 455900340 /nfs/dbraw/zinc/90/03/40/455900340.db2.gz MOBNEFXLJAPAPL-GIAZKLBYSA-N 1 0 333.516 3.388 50 0 EGAARO Cc1ccccc1[C@H](NC(=O)CCC[NH+]1CCCC1)c1ccncc1 ZINC000220528389 456040417 /nfs/dbraw/zinc/04/04/17/456040417.db2.gz XVZZQOLUSZFTBK-OAQYLSRUSA-N 1 0 337.467 3.472 50 0 EGAARO O[C@@H](c1cc2n(n1)CC[N@H+](CCCc1ccccc1)C2)c1ccccc1 ZINC000220369904 456041055 /nfs/dbraw/zinc/04/10/55/456041055.db2.gz NGMALEVBGWIBIN-JOCHJYFZSA-N 1 0 347.462 3.413 50 0 EGAARO O=C(CCC(F)(F)F)NC[C@@H](c1ccccc1F)[NH+]1CCCC1 ZINC000299784003 456781204 /nfs/dbraw/zinc/78/12/04/456781204.db2.gz KVUYQSLHBLPVPZ-AWEZNQCLSA-N 1 0 332.341 3.421 50 0 EGAARO C[NH2+]Cc1nnc(SCc2coc(C)n2)n1-c1cccc(Cl)c1 ZINC000426408960 457824724 /nfs/dbraw/zinc/82/47/24/457824724.db2.gz PHSMGFBJIMLQKR-UHFFFAOYSA-N 1 0 349.847 3.229 50 0 EGAARO COc1cc(F)ccc1-c1ccc2c(c1)OC[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000426438551 457830667 /nfs/dbraw/zinc/83/06/67/457830667.db2.gz HMXPCNLVRVGAMC-YLJYHZDGSA-N 1 0 343.398 3.392 50 0 EGAARO O=C(NC1(CO)CCCCC1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426514946 457846940 /nfs/dbraw/zinc/84/69/40/457846940.db2.gz ZYYQIMLGVPVEBK-UHFFFAOYSA-N 1 0 344.499 3.488 50 0 EGAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccccc3OC(F)F)[C@H]2C1 ZINC000426618043 457863575 /nfs/dbraw/zinc/86/35/75/457863575.db2.gz ASVUHDMLMOKRQJ-UWWQBHOKSA-N 1 0 341.398 3.446 50 0 EGAARO C[C@@H](c1ccc(-c2ccc(S(N)(=O)=O)s2)cc1)[NH+]1CCCC1 ZINC000534634352 459339380 /nfs/dbraw/zinc/33/93/80/459339380.db2.gz YZWZIYKZLKLYCP-LBPRGKRZSA-N 1 0 336.482 3.219 50 0 EGAARO C[NH+](C)C1(CNC(=O)Cc2ccc(O)c(Cl)c2)CCCCCC1 ZINC000534652175 459343397 /nfs/dbraw/zinc/34/33/97/459343397.db2.gz OBMIRQHKBHSEAG-UHFFFAOYSA-N 1 0 338.879 3.359 50 0 EGAARO O=C(/C=C/c1ccccc1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575615768 459985019 /nfs/dbraw/zinc/98/50/19/459985019.db2.gz HOGUKOLJQXUWOA-BQYQJAHWSA-N 1 0 330.497 3.130 50 0 EGAARO O=C(/C=C/c1cccs1)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575615715 459985190 /nfs/dbraw/zinc/98/51/90/459985190.db2.gz HGULEVFVBUBFGD-SNAWJCMRSA-N 1 0 336.526 3.191 50 0 EGAARO COc1ccc(CNC(=O)C2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000004675942 524046294 /nfs/dbraw/zinc/04/62/94/524046294.db2.gz BFKQPHFLIKXBLN-SFHVURJKSA-N 1 0 342.483 3.380 50 0 EGAARO CC(=O)c1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)n(C)c1 ZINC000215746317 534818542 /nfs/dbraw/zinc/81/85/42/534818542.db2.gz CVLXZRQXXRXJGZ-HNNXBMFYSA-N 1 0 336.439 3.484 50 0 EGAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)c1cccc(-c2ncc[nH]2)c1 ZINC000216019665 535077461 /nfs/dbraw/zinc/07/74/61/535077461.db2.gz SDOVLVZEPAGORY-UHFFFAOYSA-N 1 0 340.471 3.461 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000244794605 535566050 /nfs/dbraw/zinc/56/60/50/535566050.db2.gz QQAIDMLTNOQLIU-MRXNPFEDSA-N 1 0 340.427 3.480 50 0 EGAARO CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000014950224 546518409 /nfs/dbraw/zinc/51/84/09/546518409.db2.gz LNPZQFJQBLWAIO-NRFANRHFSA-N 1 0 344.499 3.235 50 0 EGAARO O=C(N1CC([NH+]2CCCCC2)C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000222941956 547245465 /nfs/dbraw/zinc/24/54/65/547245465.db2.gz JLCYYHWQGRHYOF-UHFFFAOYSA-N 1 0 332.875 3.458 50 0 EGAARO C[C@@H](NC(=O)N(C)CC[NH+]1CCCCCC1)c1ccc(O)c(F)c1 ZINC000584889085 548099196 /nfs/dbraw/zinc/09/91/96/548099196.db2.gz XAAJKQXRDXDMPN-CQSZACIVSA-N 1 0 337.439 3.110 50 0 EGAARO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3ccccc3)CC2)cn1 ZINC000670448149 548216832 /nfs/dbraw/zinc/21/68/32/548216832.db2.gz JHPNQJMVKNZMBP-QGZVFWFLSA-N 1 0 337.467 3.447 50 0 EGAARO CC[NH+]1CCC(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000012307583 1291131592 /nfs/dbraw/zinc/13/15/92/1291131592.db2.gz JVEKDQODHKBERR-FQEVSTJZSA-N 1 0 343.515 3.438 50 0 EGAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3c(F)cccc3Cl)C2)CC1 ZINC000019642499 1291193867 /nfs/dbraw/zinc/19/38/67/1291193867.db2.gz SHNNVAYDTVYYGK-OAHLLOKOSA-N 1 0 340.870 3.148 50 0 EGAARO CC[N@@H+]1CCC[C@H](c2nccn2Cc2cc(-c3ccccn3)no2)C1 ZINC000072127387 1292275167 /nfs/dbraw/zinc/27/51/67/1292275167.db2.gz XPTQVGCDHOTPDO-HNNXBMFYSA-N 1 0 337.427 3.181 50 0 EGAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1ccccc1-n1cnnc1 ZINC000828184283 1292439412 /nfs/dbraw/zinc/43/94/12/1292439412.db2.gz WDVRCILHUCKBDQ-UHFFFAOYSA-N 1 0 347.422 3.115 50 0 EGAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1onc2c1CCCC2 ZINC000828231345 1292444624 /nfs/dbraw/zinc/44/46/24/1292444624.db2.gz ZCUCARGBFAZCNE-UHFFFAOYSA-N 1 0 325.412 3.402 50 0 EGAARO O=C(CCc1ccccc1F)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256995 1298100292 /nfs/dbraw/zinc/10/02/92/1298100292.db2.gz OGAWOMWCBFOHBX-INIZCTEOSA-N 1 0 332.444 3.211 50 0 EGAARO CC[C@H](C)C(=O)Nc1cccc(NC(=O)C2CC[NH+](C)CC2)c1C ZINC000822560046 1320097151 /nfs/dbraw/zinc/09/71/51/1320097151.db2.gz PHOIMBOIKOBEJM-ZDUSSCGKSA-N 1 0 331.460 3.260 50 0 EGAARO COc1ccc(Cc2nc(C3([NH3+])CC3)n(Cc3ccccc3C)n2)cc1 ZINC000824674426 1320276507 /nfs/dbraw/zinc/27/65/07/1320276507.db2.gz DIQMBQCIRBGKQC-UHFFFAOYSA-N 1 0 348.450 3.182 50 0 EGAARO FC(F)(F)CN1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 ZINC000952965821 1334626467 /nfs/dbraw/zinc/62/64/67/1334626467.db2.gz GPQGGEYJRXIMQV-UHFFFAOYSA-N 1 0 335.373 3.429 50 0 EGAARO COc1ccc(/C=C/C[NH2+][C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000952968097 1334627157 /nfs/dbraw/zinc/62/71/57/1334627157.db2.gz JLWZBBDZTRPDGG-WAUBUAMCSA-N 1 0 340.423 3.196 50 0 EGAARO C[C@H](CC(N)=O)[N@H+](C)Cc1ccc2ccn(Cc3ccccc3)c2c1 ZINC000952973595 1334627991 /nfs/dbraw/zinc/62/79/91/1334627991.db2.gz FKUGAAYADCTUFC-MRXNPFEDSA-N 1 0 335.451 3.385 50 0 EGAARO C[C@@H]1CCC(=O)N1c1cccc(NC(=O)C[N@H+](C)C2CCCC2)c1 ZINC000952976151 1334628413 /nfs/dbraw/zinc/62/84/13/1334628413.db2.gz QESUZRMHCQIWIS-CQSZACIVSA-N 1 0 329.444 3.015 50 0 EGAARO Cc1n[nH]c(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)c1Cl ZINC000952984882 1334630907 /nfs/dbraw/zinc/63/09/07/1334630907.db2.gz UAGMDWDKKKLGSG-CQSZACIVSA-N 1 0 336.842 3.265 50 0 EGAARO CCc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(O)c3)C2)nc1 ZINC000952988725 1334631304 /nfs/dbraw/zinc/63/13/04/1334631304.db2.gz RTDJXZKGJKKITC-LJQANCHMSA-N 1 0 325.456 3.104 50 0 EGAARO CC(C)Cn1cncc1C[NH+]1CCC(OCc2ccccn2)CC1 ZINC001704356239 1416454772 /nfs/dbraw/zinc/45/47/72/1416454772.db2.gz FEOYQPXHHIRXID-UHFFFAOYSA-N 1 0 328.460 3.115 50 0 EGAARO CCCOc1ccccc1-c1nnc(N[C@H](C)C[NH+]2CCCC2)o1 ZINC001772712266 1441417258 /nfs/dbraw/zinc/41/72/58/1441417258.db2.gz QKUOAPNRCHBMRB-CQSZACIVSA-N 1 0 330.432 3.422 50 0 EGAARO COc1cc(C(=O)C2CCOCC2)ccc1OCC[NH+]1CCCCC1 ZINC001772805442 1441417430 /nfs/dbraw/zinc/41/74/30/1441417430.db2.gz KTIZBKJHMMFBHE-UHFFFAOYSA-N 1 0 347.455 3.169 50 0 EGAARO CCC[N@@H+]1C[C@H]2CN(c3noc(C)n3)C[C@@]2(CCc2ccccc2)C1 ZINC001772810826 1441417563 /nfs/dbraw/zinc/41/75/63/1441417563.db2.gz NXRVVVPBPJMBEC-AZUAARDMSA-N 1 0 340.471 3.159 50 0 EGAARO CC(C)N1C[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)CCC1=O ZINC001772818646 1441417685 /nfs/dbraw/zinc/41/76/85/1441417685.db2.gz IUANZQDMHYIEMM-LJQANCHMSA-N 1 0 344.499 3.315 50 0 EGAARO O=C(CC1=CC[NH2+]CC1)N1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000055042288 214266836 /nfs/dbraw/zinc/26/68/36/214266836.db2.gz PNUWILWXTYSTPU-GOSISDBHSA-N 1 0 328.456 3.016 50 0 EGAARO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1cccc(OCC(N)=O)c1 ZINC000055088544 214270444 /nfs/dbraw/zinc/27/04/44/214270444.db2.gz GZSMISBMXBDBRI-OAHLLOKOSA-N 1 0 330.428 3.190 50 0 EGAARO CCc1oc(C(=O)N(C)Cc2ccncc2)cc1C[NH+](CC)CC ZINC000055154935 214280494 /nfs/dbraw/zinc/28/04/94/214280494.db2.gz GZQBCPHHJZPFTA-UHFFFAOYSA-N 1 0 329.444 3.351 50 0 EGAARO Cc1ccccc1CN(CC[NH+](C)C)C(=O)c1cc(C(C)C)no1 ZINC000055253531 214296720 /nfs/dbraw/zinc/29/67/20/214296720.db2.gz RQQFSFGPGGXAPV-UHFFFAOYSA-N 1 0 329.444 3.310 50 0 EGAARO CCOc1ccccc1OCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000055341316 214309035 /nfs/dbraw/zinc/30/90/35/214309035.db2.gz RRBLYTWGYTTXQX-UHFFFAOYSA-N 1 0 343.423 3.367 50 0 EGAARO Fc1ccc(N2CCC[N@H+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000097766484 219056115 /nfs/dbraw/zinc/05/61/15/219056115.db2.gz LIQHYFUVDXISHA-UHFFFAOYSA-N 1 0 342.414 3.309 50 0 EGAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccn2C)N3)C1 ZINC000004555320 210220932 /nfs/dbraw/zinc/22/09/32/210220932.db2.gz BKEKMVDYLATVPL-OAHLLOKOSA-N 1 0 330.457 3.282 50 0 EGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccco2)N3)C1 ZINC000004556136 210220081 /nfs/dbraw/zinc/22/00/81/210220081.db2.gz XDZYNNMMCPDSAI-VBROQKIQSA-N 1 0 329.425 3.489 50 0 EGAARO O=C1c2ccccc2C(=O)N1CCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000066354654 215035995 /nfs/dbraw/zinc/03/59/95/215035995.db2.gz RGWFFWNIIJWXKT-SFHVURJKSA-N 1 0 349.434 3.125 50 0 EGAARO CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnn(-c3cccc(Cl)c3)c1)C2 ZINC000102528860 219208806 /nfs/dbraw/zinc/20/88/06/219208806.db2.gz GGLVEAFKWBPOTF-HWWDLCQESA-N 1 0 331.847 3.383 50 0 EGAARO CCNC(=O)[C@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000067473085 215151213 /nfs/dbraw/zinc/15/12/13/215151213.db2.gz RGOQLOGKOFWEIG-AWEZNQCLSA-N 1 0 347.846 3.261 50 0 EGAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cccc(Cn4cccn4)c3)C2)n1 ZINC000067649797 215174030 /nfs/dbraw/zinc/17/40/30/215174030.db2.gz OOIHLIRAIHUSFN-FQEVSTJZSA-N 1 0 335.455 3.192 50 0 EGAARO COc1ccc(C)cc1C(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000067713548 215191452 /nfs/dbraw/zinc/19/14/52/215191452.db2.gz JRWPPNXKUHEGDE-ZDUSSCGKSA-N 1 0 344.377 3.008 50 0 EGAARO Cc1noc(-c2ccc(-c3cc(Cl)cc4c3O[C@@H](C[NH3+])C4)nc2)n1 ZINC000067743099 215200361 /nfs/dbraw/zinc/20/03/61/215200361.db2.gz ALNBVAXXMLJSCC-CYBMUJFWSA-N 1 0 342.786 3.023 50 0 EGAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000067756230 215204864 /nfs/dbraw/zinc/20/48/64/215204864.db2.gz NSUNKPDWRHPOFH-QGZVFWFLSA-N 1 0 345.487 3.019 50 0 EGAARO O[C@@H]1C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@H]1c1ccc(F)cc1 ZINC000067757679 215206617 /nfs/dbraw/zinc/20/66/17/215206617.db2.gz SWFPKENPOXJCII-FUHWJXTLSA-N 1 0 341.386 3.159 50 0 EGAARO CCN(C(C)=O)[C@@H]1CCN(Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000067771638 215207489 /nfs/dbraw/zinc/20/74/89/215207489.db2.gz ITFHRBWRLKOBMG-QGZVFWFLSA-N 1 0 341.455 3.401 50 0 EGAARO Cc1cccc(CN2CCC[C@@](O)(C[NH2+]C3(CC(C)C)CC3)C2=O)c1 ZINC000067773864 215209393 /nfs/dbraw/zinc/20/93/93/215209393.db2.gz AWKBEGZYODWIJZ-OAQYLSRUSA-N 1 0 344.499 3.017 50 0 EGAARO CCOc1cccc(OCC[N@@H+]2CCc3[nH]nc(C(C)C)c3C2)c1 ZINC000067846868 215229124 /nfs/dbraw/zinc/22/91/24/215229124.db2.gz SNAQYAPDKSFTCB-UHFFFAOYSA-N 1 0 329.444 3.369 50 0 EGAARO CCn1nc(C(C)C)cc1C(=O)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067868651 215234634 /nfs/dbraw/zinc/23/46/34/215234634.db2.gz SCIDPMZRXRJTLC-UHFFFAOYSA-N 1 0 332.492 3.022 50 0 EGAARO CCCC(=O)N1CCC([NH2+]C2(CN3CCCC3)CCCCC2)CC1 ZINC000067868352 215235380 /nfs/dbraw/zinc/23/53/80/215235380.db2.gz LACPSFFOTCSING-UHFFFAOYSA-N 1 0 335.536 3.166 50 0 EGAARO C[NH+](C)Cc1ccccc1Oc1cccc(CN2CCOCC2)c1 ZINC000067946203 215255726 /nfs/dbraw/zinc/25/57/26/215255726.db2.gz ULIOAJPMZNKWQJ-UHFFFAOYSA-N 1 0 326.440 3.373 50 0 EGAARO O=C(CCc1cc(Cl)no1)NC[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000067946833 215256193 /nfs/dbraw/zinc/25/61/93/215256193.db2.gz WIFWLFHIXCTEFV-CYBMUJFWSA-N 1 0 339.867 3.031 50 0 EGAARO O=C(c1ccncc1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069348485 215382170 /nfs/dbraw/zinc/38/21/70/215382170.db2.gz DLTHOCRRQVUWSB-UXHICEINSA-N 1 0 335.451 3.351 50 0 EGAARO CSc1ccc(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)cc1 ZINC000104534421 219393363 /nfs/dbraw/zinc/39/33/63/219393363.db2.gz BSVXFVLEQLBCOS-GOSISDBHSA-N 1 0 334.529 3.243 50 0 EGAARO COc1ccc2c(c1)CCC[C@@H]2Nc1cc(C2CC[NH2+]CC2)ncn1 ZINC000039537186 213239707 /nfs/dbraw/zinc/23/97/07/213239707.db2.gz LZMDVHIJIBDZEL-SFHVURJKSA-N 1 0 338.455 3.442 50 0 EGAARO Cc1nc(NC[C@@H](O)c2ccccc2Cl)cc(C2CC[NH2+]CC2)n1 ZINC000039357725 213233883 /nfs/dbraw/zinc/23/38/83/213233883.db2.gz OWRPLSWCGGOXCO-QGZVFWFLSA-N 1 0 346.862 3.051 50 0 EGAARO C[NH2+]C1(c2nnnn2-c2ccc(C)cc2C)C2CC3CC(C2)CC1C3 ZINC000035615717 213042145 /nfs/dbraw/zinc/04/21/45/213042145.db2.gz VRHKMDASOVHTRO-UHFFFAOYSA-N 1 0 337.471 3.150 50 0 EGAARO C[NH2+]C1(c2nnnn2-c2c(C)cccc2C)C2CC3CC(C2)CC1C3 ZINC000035606532 213040989 /nfs/dbraw/zinc/04/09/89/213040989.db2.gz QOYJUVWQMPAAFK-UHFFFAOYSA-N 1 0 337.471 3.150 50 0 EGAARO c1ccc(-n2nnnc2C2([NH+]3CCCC3)C3CC4CC(C3)CC2C4)cc1 ZINC000035170803 213011602 /nfs/dbraw/zinc/01/16/02/213011602.db2.gz NDPOTLQRXZMQJR-UHFFFAOYSA-N 1 0 349.482 3.410 50 0 EGAARO COC[C@H]1CC[N@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 ZINC000071747565 215805067 /nfs/dbraw/zinc/80/50/67/215805067.db2.gz SWWZAYFEWZCNAY-ZDUSSCGKSA-N 1 0 334.391 3.266 50 0 EGAARO C[NH+]1CCC(CCC(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)CC1 ZINC000072142036 216026911 /nfs/dbraw/zinc/02/69/11/216026911.db2.gz DHXNLHZZPSIGFP-LJQANCHMSA-N 1 0 347.478 3.351 50 0 EGAARO c1cn(-c2ccc(C[N@H+]3CCC[C@@H](OCc4ccccn4)C3)cc2)cn1 ZINC000072138728 216025713 /nfs/dbraw/zinc/02/57/13/216025713.db2.gz XSNJNWWXKKZDAC-OAQYLSRUSA-N 1 0 348.450 3.449 50 0 EGAARO Cc1c2cc(C)ccc2oc1-c1nccn1CC[NH+]1CCC(O)CC1 ZINC000072144884 216030188 /nfs/dbraw/zinc/03/01/88/216030188.db2.gz YEFSEFDLCORQTN-UHFFFAOYSA-N 1 0 339.439 3.370 50 0 EGAARO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3ccncn3)CC2)cc1 ZINC000072149952 216038686 /nfs/dbraw/zinc/03/86/86/216038686.db2.gz PUCKOFJHYMVTSK-UHFFFAOYSA-N 1 0 344.462 3.384 50 0 EGAARO C[NH+]1CCC(N(CCc2ccccc2)Cc2noc(C3CC3)n2)CC1 ZINC000072157208 216046637 /nfs/dbraw/zinc/04/66/37/216046637.db2.gz DLPOBYFGHKGDCW-UHFFFAOYSA-N 1 0 340.471 3.086 50 0 EGAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccccn2)no1 ZINC000072157358 216047330 /nfs/dbraw/zinc/04/73/30/216047330.db2.gz AYPAOCOXZGFHFR-CQSZACIVSA-N 1 0 329.400 3.044 50 0 EGAARO CCCCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000072166614 216056573 /nfs/dbraw/zinc/05/65/73/216056573.db2.gz DAUNHYZZASOIQZ-MRXNPFEDSA-N 1 0 342.487 3.314 50 0 EGAARO CC[C@H](C[NH+](C)C)Nc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072411703 216204154 /nfs/dbraw/zinc/20/41/54/216204154.db2.gz AIORESYHGZJEKI-OAHLLOKOSA-N 1 0 327.407 3.288 50 0 EGAARO COC(=O)CCn1cc(C[N@@H+]2CCC[C@@H](c3ccccc3C)C2)cn1 ZINC000072419104 216207916 /nfs/dbraw/zinc/20/79/16/216207916.db2.gz ADKLMQMDXNYNBZ-GOSISDBHSA-N 1 0 341.455 3.134 50 0 EGAARO Cc1cc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)ccc1Cl ZINC000072428031 216218593 /nfs/dbraw/zinc/21/85/93/216218593.db2.gz KLMMPYCUBDKXTN-UHFFFAOYSA-N 1 0 327.819 3.191 50 0 EGAARO CCc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)n2nccc2n1 ZINC000072428323 216218778 /nfs/dbraw/zinc/21/87/78/216218778.db2.gz MUXSFEQZYCBBDH-HNNXBMFYSA-N 1 0 325.416 3.134 50 0 EGAARO c1coc(-c2nc3c(c(NCc4ccsc4)n2)CC[NH2+]CC3)c1 ZINC000072454311 216241350 /nfs/dbraw/zinc/24/13/50/216241350.db2.gz INVITPKWYXVKLX-UHFFFAOYSA-N 1 0 326.425 3.098 50 0 EGAARO CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1F)C[C@H]1CCCO1 ZINC000072463683 216246513 /nfs/dbraw/zinc/24/65/13/216246513.db2.gz HRCHPQVHIOJGNS-OAHLLOKOSA-N 1 0 333.407 3.225 50 0 EGAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCCO)cc2)c1 ZINC000072479745 216258668 /nfs/dbraw/zinc/25/86/68/216258668.db2.gz AHCGMXYSBSIOGB-FQEVSTJZSA-N 1 0 327.424 3.403 50 0 EGAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CC(C)C)C3 ZINC000023478591 212379936 /nfs/dbraw/zinc/37/99/36/212379936.db2.gz QHMDWFJJQZSODL-ZDUSSCGKSA-N 1 0 333.501 3.361 50 0 EGAARO Cn1cc([C@@H](CNC(=O)c2ccccc2F)[NH+](C)C)c2ccccc21 ZINC000023239667 212362459 /nfs/dbraw/zinc/36/24/59/212362459.db2.gz JQVLKEZGKNEHKX-LJQANCHMSA-N 1 0 339.414 3.350 50 0 EGAARO CC(C)=CC[N@@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@@H]1CCO ZINC000022920223 212334911 /nfs/dbraw/zinc/33/49/11/212334911.db2.gz CCBVTOSCDSMSSQ-YADGQWAMSA-N 1 0 332.463 3.174 50 0 EGAARO CCc1ccc([C@H](CNCc2cnn(-c3ccccc3)n2)[NH+](C)C)cc1 ZINC000022787482 212324671 /nfs/dbraw/zinc/32/46/71/212324671.db2.gz VAPSHYLROYHDAR-NRFANRHFSA-N 1 0 349.482 3.222 50 0 EGAARO Brc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000022113598 212277833 /nfs/dbraw/zinc/27/78/33/212277833.db2.gz RMXZOOYQUFHRPE-KRWDZBQOSA-N 1 0 331.257 3.444 50 0 EGAARO CCc1nn(C)c(Cl)c1CN(C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000216364484 241185421 /nfs/dbraw/zinc/18/54/21/241185421.db2.gz JGIADOPNDHDJTI-UHFFFAOYSA-N 1 0 332.879 3.213 50 0 EGAARO Cc1nn(C)c(C)c1C[N@H+](C)Cc1cc(C)cc(C)c1-n1cccn1 ZINC000215604087 241134006 /nfs/dbraw/zinc/13/40/06/241134006.db2.gz WZDABTMDQVELEW-UHFFFAOYSA-N 1 0 337.471 3.471 50 0 EGAARO CSc1ccc(CC(=O)N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000020995102 212196690 /nfs/dbraw/zinc/19/66/90/212196690.db2.gz NLWXQXPJXIABIM-KRWDZBQOSA-N 1 0 332.513 3.285 50 0 EGAARO COc1cc(C)c(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)cc1C ZINC000020910454 212187124 /nfs/dbraw/zinc/18/71/24/212187124.db2.gz IYEWVCZQNZHFPK-FQEVSTJZSA-N 1 0 346.515 3.123 50 0 EGAARO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)CCC(=O)Nc1cc(F)ccc1F ZINC000243932529 243035639 /nfs/dbraw/zinc/03/56/39/243035639.db2.gz BXACPDBWUHLNFG-ORAYPTAESA-N 1 0 348.393 3.347 50 0 EGAARO O=C(Cc1ccsc1)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244601762 243040966 /nfs/dbraw/zinc/04/09/66/243040966.db2.gz DRLCYPFZMKYBTK-KRWDZBQOSA-N 1 0 328.481 3.319 50 0 EGAARO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000244633513 243047439 /nfs/dbraw/zinc/04/74/39/243047439.db2.gz GEGNVRSQJBRGHI-HXUWFJFHSA-N 1 0 329.488 3.132 50 0 EGAARO COc1cc(C(C)=O)ccc1OCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020653397 212160230 /nfs/dbraw/zinc/16/02/30/212160230.db2.gz HVDNOTGXSYFVOM-GJZGRUSLSA-N 1 0 335.444 3.166 50 0 EGAARO CC[NH+](CC)CCCNc1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000020662039 212160760 /nfs/dbraw/zinc/16/07/60/212160760.db2.gz KBAVQTSOLVRXCQ-UHFFFAOYSA-N 1 0 338.459 3.268 50 0 EGAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc3c1OCO3)[NH2+]CC2 ZINC000020494361 212140596 /nfs/dbraw/zinc/14/05/96/212140596.db2.gz JWZNJGWFYYZWDK-IBGZPJMESA-N 1 0 341.407 3.448 50 0 EGAARO CC[NH+]1CCN(CC(=O)n2c3ccccc3c3c2CC[C@@H](C)C3)CC1 ZINC000020500851 212140639 /nfs/dbraw/zinc/14/06/39/212140639.db2.gz WFECOQFZFNUSCB-MRXNPFEDSA-N 1 0 339.483 3.044 50 0 EGAARO CC[NH+]1CCN(CCCOc2ccc(C)cc2Br)CC1 ZINC000020390078 212124764 /nfs/dbraw/zinc/12/47/64/212124764.db2.gz PBIPRJCAMWRVFN-UHFFFAOYSA-N 1 0 341.293 3.164 50 0 EGAARO c1[nH]c(-c2ccccc2)nc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019835092 212074006 /nfs/dbraw/zinc/07/40/06/212074006.db2.gz NKWZEPWHHANJPM-UHFFFAOYSA-N 1 0 332.451 3.395 50 0 EGAARO Cc1ccccc1OCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015860022 211861433 /nfs/dbraw/zinc/86/14/33/211861433.db2.gz DGCMCWYPFMXHLA-QGZVFWFLSA-N 1 0 342.439 3.310 50 0 EGAARO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@H](C)O1 ZINC000012378338 211360176 /nfs/dbraw/zinc/36/01/76/211360176.db2.gz BTEPOPVDLPKRBZ-IXDOHACOSA-N 1 0 338.451 3.265 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(Br)cc2)CC1 ZINC000012382541 211362929 /nfs/dbraw/zinc/36/29/29/211362929.db2.gz XOUIWLYUUJTECV-UHFFFAOYSA-N 1 0 325.250 3.052 50 0 EGAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccncc2)C1 ZINC000012320189 211343883 /nfs/dbraw/zinc/34/38/83/211343883.db2.gz ZUKFVAQPJPHTFW-XTXLJPNXSA-N 1 0 335.451 3.218 50 0 EGAARO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4ncc[nH]4)C3)C2)cc1F ZINC000012198020 211317180 /nfs/dbraw/zinc/31/71/80/211317180.db2.gz KXXHQVGERKSNDS-LJQANCHMSA-N 1 0 346.425 3.176 50 0 EGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(OC)c(C)c1)CC2 ZINC000091493860 218013692 /nfs/dbraw/zinc/01/36/92/218013692.db2.gz IFSQTKBSNWBSIW-UHFFFAOYSA-N 1 0 330.472 3.228 50 0 EGAARO O=C(c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091494566 218014374 /nfs/dbraw/zinc/01/43/74/218014374.db2.gz PISALHIRHVPLNN-UKRRQHHQSA-N 1 0 336.838 3.426 50 0 EGAARO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)ccc2[nH]1 ZINC000091603794 218030717 /nfs/dbraw/zinc/03/07/17/218030717.db2.gz IATWIDYBZTZLHG-SJLPKXTDSA-N 1 0 333.439 3.059 50 0 EGAARO O=C1N(CCc2ccccc2)CCC[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000011821745 211252743 /nfs/dbraw/zinc/25/27/43/211252743.db2.gz PUJYZEUSVNRXAF-JOCHJYFZSA-N 1 0 349.478 3.139 50 0 EGAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccoc1 ZINC000011769419 211246096 /nfs/dbraw/zinc/24/60/96/211246096.db2.gz UJCWGLZPNWKEKN-MRXNPFEDSA-N 1 0 344.430 3.445 50 0 EGAARO COc1cc(F)c(C[N@@H+]2CC[C@@](O)(C3CCC3)[C@H](C)C2)cc1OC ZINC000091665296 218044798 /nfs/dbraw/zinc/04/47/98/218044798.db2.gz IDQPUMGMJPBOQE-YJYMSZOUSA-N 1 0 337.435 3.216 50 0 EGAARO O=C1NCCC[C@]12CC[N@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000091781665 218065216 /nfs/dbraw/zinc/06/52/16/218065216.db2.gz QYVJEUHJNDTSGG-HXUWFJFHSA-N 1 0 328.456 3.110 50 0 EGAARO COCC[C@@]1(CO)CCC[N@H+](Cc2cc(C(C)C)ccc2OC)C1 ZINC000091847778 218076331 /nfs/dbraw/zinc/07/63/31/218076331.db2.gz HCLNXECJCJKYAF-FQEVSTJZSA-N 1 0 335.488 3.430 50 0 EGAARO CC(=O)c1cnc(NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)nc1C ZINC000092046870 218110341 /nfs/dbraw/zinc/11/03/41/218110341.db2.gz PDHUVMLHDBQIRV-SFHVURJKSA-N 1 0 338.455 3.279 50 0 EGAARO Cc1cc(C)c2[nH]c(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)cc(=O)c2c1 ZINC000092062239 218112287 /nfs/dbraw/zinc/11/22/87/218112287.db2.gz QKXHIQLPNXECDM-OAHLLOKOSA-N 1 0 336.439 3.248 50 0 EGAARO O=C(NC[C@H](O)c1cccc(F)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095360037 218292828 /nfs/dbraw/zinc/29/28/28/218292828.db2.gz CHESCJQZHGQQKL-IBGZPJMESA-N 1 0 348.462 3.020 50 0 EGAARO COc1ccccc1C1CCN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000095356152 218289238 /nfs/dbraw/zinc/28/92/38/218289238.db2.gz PRHWBULPRVEFMN-SFHVURJKSA-N 1 0 330.472 3.276 50 0 EGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)cs1 ZINC000095368062 218300683 /nfs/dbraw/zinc/30/06/83/218300683.db2.gz NGKITUSZUNGUGQ-INIZCTEOSA-N 1 0 347.459 3.440 50 0 EGAARO Cc1cc(CN(C)C(=O)C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000095363668 218296486 /nfs/dbraw/zinc/29/64/86/218296486.db2.gz MRXMREGEYXQSML-UHFFFAOYSA-N 1 0 329.488 3.393 50 0 EGAARO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)s1 ZINC000095376650 218308501 /nfs/dbraw/zinc/30/85/01/218308501.db2.gz ANIJYRIMOZOSBL-HZPDHXFCSA-N 1 0 333.501 3.096 50 0 EGAARO O=C(CCc1cccnc1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095368732 218301146 /nfs/dbraw/zinc/30/11/46/218301146.db2.gz MFHHXEWAKMBGTO-NHCUHLMSSA-N 1 0 349.478 3.137 50 0 EGAARO COc1cccc([C@@H]2CCN2C(=O)CC2CC[NH+](C(C)C)CC2)c1 ZINC000095381229 218313112 /nfs/dbraw/zinc/31/31/12/218313112.db2.gz GFJAUIHSBUNJQF-IBGZPJMESA-N 1 0 330.472 3.479 50 0 EGAARO Cc1cc(C)c2c(ncnc2NC[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000095386935 218318895 /nfs/dbraw/zinc/31/88/95/218318895.db2.gz LUJPYNSSPWDAQN-OAHLLOKOSA-N 1 0 325.460 3.318 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000097323925 219012193 /nfs/dbraw/zinc/01/21/93/219012193.db2.gz VTQPDNCOSMAZAC-CQSZACIVSA-N 1 0 330.476 3.156 50 0 EGAARO COc1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3ccnc3)C1)CCC2 ZINC000097346700 219013603 /nfs/dbraw/zinc/01/36/03/219013603.db2.gz LCQXXMGDKUDYNA-INIZCTEOSA-N 1 0 325.456 3.293 50 0 EGAARO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 ZINC000004746151 210269143 /nfs/dbraw/zinc/26/91/43/210269143.db2.gz BGQHZTFRCSQMNL-GOSISDBHSA-N 1 0 330.472 3.310 50 0 EGAARO COc1cccc2ccc(C[NH+]3CCC(Cn4ccnc4)CC3)nc21 ZINC000097601169 219039977 /nfs/dbraw/zinc/03/99/77/219039977.db2.gz NCKKOFTXGAJJEN-UHFFFAOYSA-N 1 0 336.439 3.352 50 0 EGAARO C[NH+](C)CC[C@H](NC(=O)c1ccc(-c2cc[nH]n2)cc1)c1ccccc1 ZINC000097568994 219035528 /nfs/dbraw/zinc/03/55/28/219035528.db2.gz IFHZLJVDNYDMHM-IBGZPJMESA-N 1 0 348.450 3.500 50 0 EGAARO OCC[C@@H]1C[N@@H+](C2CCCCCC2)CCN1Cc1ccc(F)cc1 ZINC000019792564 285264160 /nfs/dbraw/zinc/26/41/60/285264160.db2.gz NJJSTJKOOBCJGP-HXUWFJFHSA-N 1 0 334.479 3.417 50 0 EGAARO [NH3+][C@@H]1CC[C@@H](NC(=O)NCCC(c2ccccc2)c2ccccc2)C1 ZINC000426414718 257969006 /nfs/dbraw/zinc/96/90/06/257969006.db2.gz RFHQIRJCFNTFKV-RTBURBONSA-N 1 0 337.467 3.388 50 0 EGAARO Cc1cc2nc(C[N@H+](C/C=C/c3ccccc3)C3CC3)cc(=O)n2[n-]1 ZINC000334159618 258016256 /nfs/dbraw/zinc/01/62/56/258016256.db2.gz PVTOOUZCEQRKQE-VMPITWQZSA-N 1 0 334.423 3.009 50 0 EGAARO CCOc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cc1Cl ZINC000299779053 258088623 /nfs/dbraw/zinc/08/86/23/258088623.db2.gz SDWXFXWFOCGPSU-JCGIZDLHSA-N 1 0 339.863 3.243 50 0 EGAARO CO[C@]12CC[N@H+](Cc3nc(-c4ccccc4)cs3)[C@H]1C[C@@H](O)CC2 ZINC000299781477 258090216 /nfs/dbraw/zinc/09/02/16/258090216.db2.gz VZUNPCPEAGUMGX-VDZJLULYSA-N 1 0 344.480 3.314 50 0 EGAARO O=C(NC1(CO)CCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299799360 258102996 /nfs/dbraw/zinc/10/29/96/258102996.db2.gz RDCYKEUDBQIXDQ-UHFFFAOYSA-N 1 0 330.472 3.098 50 0 EGAARO CCOc1cc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)ccc1O ZINC000004552919 258050986 /nfs/dbraw/zinc/05/09/86/258050986.db2.gz IXYAOCRPHIRGOR-UHFFFAOYSA-N 1 0 346.471 3.015 50 0 EGAARO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000002304600 276099618 /nfs/dbraw/zinc/09/96/18/276099618.db2.gz YXUBHIRQBSIPFE-FQEVSTJZSA-N 1 0 333.472 3.340 50 0 in-vitro EGAARO COc1ccc2ccccc2c1[C@@H]1C[C@H]2CN(C)C(=O)[C@]23CCC[N@H+]13 ZINC000012584503 278000914 /nfs/dbraw/zinc/00/09/14/278000914.db2.gz QHBCKVOHGMKIIN-WJPUGNRLSA-N 1 0 336.435 3.216 50 0 EGAARO CC1(C)CNC(=O)c2[nH]c(C[C@H]3CCCC[N@@H+]3C3CCCC3)nc2C1 ZINC000095353905 278349914 /nfs/dbraw/zinc/34/99/14/278349914.db2.gz PPKPUOFWNVBAFZ-OAHLLOKOSA-N 1 0 344.503 3.061 50 0 EGAARO Cc1ccc(N[C@@](C)(C(=O)N2CCC([NH3+])CC2)c2ccccc2)cc1 ZINC000055269772 278835527 /nfs/dbraw/zinc/83/55/27/278835527.db2.gz BRKUIOAJIOZNTL-OAQYLSRUSA-N 1 0 337.467 3.272 50 0 EGAARO Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)C[NH2+]C(C)C)[C@H]3CCC1 ZINC000012437138 281130992 /nfs/dbraw/zinc/13/09/92/281130992.db2.gz REQHIGZKPANFBN-JXFKEZNVSA-N 1 0 341.499 3.002 50 0 EGAARO CCn1c(C)cc(O)c([C@H](c2ccccn2)[NH+]2CCC(C)CC2)c1=O ZINC000022697390 288675983 /nfs/dbraw/zinc/67/59/83/288675983.db2.gz JSMOEWNMUMVRSE-IBGZPJMESA-N 1 0 341.455 3.099 50 0 EGAARO CC(C)c1nnsc1CN1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000244852758 455276831 /nfs/dbraw/zinc/27/68/31/455276831.db2.gz UYDJAWWDWUIYMC-ZDUSSCGKSA-N 1 0 330.457 3.151 50 0 EGAARO CC[NH+](CC)C[C@H](O)Cn1c2ccc(C)cc2c2c1C(=O)CCC2 ZINC000000074823 452501156 /nfs/dbraw/zinc/50/11/56/452501156.db2.gz JDAXYMGPQSIKGJ-HNNXBMFYSA-N 1 0 328.456 3.171 50 0 EGAARO COc1ccccc1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000087343 452504355 /nfs/dbraw/zinc/50/43/55/452504355.db2.gz FSSMCNONYPJAGO-UHFFFAOYSA-N 1 0 338.451 3.019 50 0 EGAARO COc1cc(OC)cc(C(=O)N2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000000207643 452537007 /nfs/dbraw/zinc/53/70/07/452537007.db2.gz HVJSBMJCVPLWQM-UHFFFAOYSA-N 1 0 346.471 3.184 50 0 EGAARO COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c(OC)c1OC ZINC000000243770 452546239 /nfs/dbraw/zinc/54/62/39/452546239.db2.gz AWGNTTDJXHQRMD-UHFFFAOYSA-N 1 0 348.487 3.163 50 0 EGAARO Cc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000002966185 452735559 /nfs/dbraw/zinc/73/55/59/452735559.db2.gz QOYLVXWZWRIEAA-FQEVSTJZSA-N 1 0 325.407 3.394 50 0 EGAARO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000005500660 452878074 /nfs/dbraw/zinc/87/80/74/452878074.db2.gz BHMIVOBPVFXZPQ-CYBMUJFWSA-N 1 0 343.427 3.076 50 0 EGAARO CC(=O)CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012572891 453376194 /nfs/dbraw/zinc/37/61/94/453376194.db2.gz PJAGYRPZIMUDAJ-LJQANCHMSA-N 1 0 344.499 3.077 50 0 EGAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000012588543 453377936 /nfs/dbraw/zinc/37/79/36/453377936.db2.gz ZWIFICYHQZLTJQ-HXUWFJFHSA-N 1 0 346.434 3.475 50 0 EGAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000012592972 453379012 /nfs/dbraw/zinc/37/90/12/453379012.db2.gz UXBMWTXZQWCDBI-HNNXBMFYSA-N 1 0 331.416 3.136 50 0 EGAARO C[NH+](C)C1(C(=O)NCc2ccc(Cl)s2)Cc2ccccc2C1 ZINC000012704993 453392821 /nfs/dbraw/zinc/39/28/21/453392821.db2.gz OEZBPGMTYRDCFI-UHFFFAOYSA-N 1 0 334.872 3.117 50 0 EGAARO C[C@@H]1C[C@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013122908 453447382 /nfs/dbraw/zinc/44/73/82/453447382.db2.gz RICXMDIFJNHTOE-UEXGIBASSA-N 1 0 339.479 3.404 50 0 EGAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000013143360 453450159 /nfs/dbraw/zinc/45/01/59/453450159.db2.gz LOOLKABXCMMKJI-OKILXGFUSA-N 1 0 336.863 3.054 50 0 EGAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1)N1CCCC1 ZINC000014953711 453549619 /nfs/dbraw/zinc/54/96/19/453549619.db2.gz JYCYIRIQAVIXMQ-INIZCTEOSA-N 1 0 344.455 3.030 50 0 EGAARO COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000015953372 453589730 /nfs/dbraw/zinc/58/97/30/453589730.db2.gz SHWJSQJOLTUVBC-FQEVSTJZSA-N 1 0 341.406 3.095 50 0 EGAARO COc1ccc([N+]2=C3CCCCN3C[C@]2(O)c2ccc(C)cc2)cc1 ZINC000017124590 453629615 /nfs/dbraw/zinc/62/96/15/453629615.db2.gz JEZJMGDYWCTUST-NRFANRHFSA-N 1 0 337.443 3.264 50 0 EGAARO O[C@@H](CSc1ccc(F)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020384946 453664711 /nfs/dbraw/zinc/66/47/11/453664711.db2.gz UHHJMQRPTZJRPZ-GOSISDBHSA-N 1 0 346.471 3.101 50 0 EGAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000020912181 453669599 /nfs/dbraw/zinc/66/95/99/453669599.db2.gz MJKYFBBWCAHWMD-GOSISDBHSA-N 1 0 343.446 3.205 50 0 EGAARO Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027664238 453819855 /nfs/dbraw/zinc/81/98/55/453819855.db2.gz QFCQUZPMZXBRQD-INIZCTEOSA-N 1 0 344.480 3.389 50 0 EGAARO COc1ccc([C@@H](CNC(=O)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000027747917 453820130 /nfs/dbraw/zinc/82/01/30/453820130.db2.gz JLJFFBXKYSDBJK-HXUWFJFHSA-N 1 0 338.451 3.191 50 0 biogenic EGAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1cc(C2CC2)on1 ZINC000075170341 453868556 /nfs/dbraw/zinc/86/85/56/453868556.db2.gz DUTDHTQMBAGFAZ-UHFFFAOYSA-N 1 0 345.468 3.256 50 0 EGAARO COc1ccc(SCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000082097490 453924054 /nfs/dbraw/zinc/92/40/54/453924054.db2.gz JZZYLVWTFQEDLK-OAHLLOKOSA-N 1 0 337.485 3.105 50 0 EGAARO O=C(/C=C/c1cccs1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473142 454030833 /nfs/dbraw/zinc/03/08/33/454030833.db2.gz LYPFRQPJLIHIQU-LQYUOIDQSA-N 1 0 336.526 3.191 50 0 EGAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000077321307 454091109 /nfs/dbraw/zinc/09/11/09/454091109.db2.gz OUWXPBNJZNHIAK-UHFFFAOYSA-N 1 0 347.532 3.109 50 0 EGAARO C[C@@H](c1ccc(-c2nccn2CCC(=O)N2CCCC2)cc1)[NH+](C)C ZINC000077355578 454096442 /nfs/dbraw/zinc/09/64/42/454096442.db2.gz AAJNQKLDNQBYBT-INIZCTEOSA-N 1 0 340.471 3.185 50 0 EGAARO O=C(NCc1cccc(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057155792 454107264 /nfs/dbraw/zinc/10/72/64/454107264.db2.gz PEBVRJNVNQYSFZ-UHFFFAOYSA-N 1 0 326.415 3.354 50 0 EGAARO CCN(Cc1cccc(-c2ccc(C)o2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000077453235 454107894 /nfs/dbraw/zinc/10/78/94/454107894.db2.gz SKPQJBBMIFTFAQ-KRWDZBQOSA-N 1 0 333.453 3.264 50 0 EGAARO O=C(c1cccnc1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069619153 454125624 /nfs/dbraw/zinc/12/56/24/454125624.db2.gz QPYOWBBLJIDUDA-PMACEKPBSA-N 1 0 335.451 3.351 50 0 EGAARO Cc1noc2ncnc(NCC[N@@H+]3CC[C@H](c4ccccc4C)C3)c12 ZINC000095368658 454198657 /nfs/dbraw/zinc/19/86/57/454198657.db2.gz VGDFRHCHWJWULS-HNNXBMFYSA-N 1 0 337.427 3.136 50 0 EGAARO CNc1cc(C)[nH+]c(N2CCc3onc(-c4cccc(F)c4)c3C2)n1 ZINC000071315514 454205400 /nfs/dbraw/zinc/20/54/00/454205400.db2.gz QVQBSENUDNFNCG-UHFFFAOYSA-N 1 0 339.374 3.184 50 0 EGAARO Cn1ccnc1-c1nccn1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000071736470 454211530 /nfs/dbraw/zinc/21/15/30/454211530.db2.gz ORVAPXXFSSQKBD-SFHVURJKSA-N 1 0 335.455 3.163 50 0 EGAARO O=C(c1ccccc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071759546 454215157 /nfs/dbraw/zinc/21/51/57/454215157.db2.gz FQSOQPSGTLIMBD-PWRODBHTSA-N 1 0 332.447 3.389 50 0 EGAARO CC(C)c1nccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)n1 ZINC000071760857 454215725 /nfs/dbraw/zinc/21/57/25/454215725.db2.gz ILBRBNOUXYEQPB-SFHVURJKSA-N 1 0 344.503 3.183 50 0 EGAARO C[N@H+](CCO)CCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000071770712 454217057 /nfs/dbraw/zinc/21/70/57/454217057.db2.gz SZTNPZKCGBLYAE-UHFFFAOYSA-N 1 0 328.437 3.130 50 0 EGAARO CC(C)c1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)[nH]n1 ZINC000071765331 454217287 /nfs/dbraw/zinc/21/72/87/454217287.db2.gz TXSJTESMJSEKBN-GOSISDBHSA-N 1 0 332.492 3.116 50 0 EGAARO Cc1nc(-c2ccc(CCC(C)(C)O)cc2)n(C2CC[NH+](C)CC2)n1 ZINC000096130523 454289465 /nfs/dbraw/zinc/28/94/65/454289465.db2.gz SFZPKVXYOGGKMM-UHFFFAOYSA-N 1 0 342.487 3.224 50 0 EGAARO O=C(NCCC[NH+]1CCCC1)Nc1ccccc1Oc1cccnc1 ZINC000096131636 454290489 /nfs/dbraw/zinc/29/04/89/454290489.db2.gz SPRCSKGGPRKETR-UHFFFAOYSA-N 1 0 340.427 3.481 50 0 EGAARO [NH3+]CC[C@@H]1CN(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CCO1 ZINC000096163751 454295924 /nfs/dbraw/zinc/29/59/24/454295924.db2.gz ZJZZOSPTXYSPJE-GOSISDBHSA-N 1 0 343.402 3.074 50 0 EGAARO CC(C)[NH+]1CCN(c2ccc(-c3ccc4[nH]nc(N)c4c3)cc2)CC1 ZINC000096164517 454296950 /nfs/dbraw/zinc/29/69/50/454296950.db2.gz MMUQHHHHTDHFMX-UHFFFAOYSA-N 1 0 335.455 3.343 50 0 EGAARO CCc1oc(C(=O)N2CCC[C@](CC)(CO)C2)cc1C[NH+]1CCCC1 ZINC000091782355 454470469 /nfs/dbraw/zinc/47/04/69/454470469.db2.gz XAUWLSJPLJVARO-FQEVSTJZSA-N 1 0 348.487 3.063 50 0 EGAARO OCCCCCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091792728 454471907 /nfs/dbraw/zinc/47/19/07/454471907.db2.gz QLIITKBCFVUSQD-AZUAARDMSA-N 1 0 334.479 3.275 50 0 EGAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000092022117 454503386 /nfs/dbraw/zinc/50/33/86/454503386.db2.gz XRQUNRIDRKYKDG-KRWDZBQOSA-N 1 0 339.464 3.248 50 0 EGAARO O=C(NCC1=CCC[N@@H+]([C@H]2C=CCCC2)C1)c1ccnc(Cl)c1 ZINC000065387485 454557064 /nfs/dbraw/zinc/55/70/64/454557064.db2.gz LHUVWGQDBDHUFW-INIZCTEOSA-N 1 0 331.847 3.206 50 0 EGAARO COCc1nc(NCCc2csc(C)c2C)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000252572251 455821904 /nfs/dbraw/zinc/82/19/04/455821904.db2.gz ZAXZADBLOMAVHE-GASCZTMLSA-N 1 0 346.500 3.161 50 0 EGAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c2cc(Cl)ccc2n1 ZINC000216243612 456029960 /nfs/dbraw/zinc/02/99/60/456029960.db2.gz FJJDIIHIENYAJK-DZGCQCFKSA-N 1 0 343.858 3.363 50 0 EGAARO O=C(c1ccc(OC(F)F)cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000220002191 456038053 /nfs/dbraw/zinc/03/80/53/456038053.db2.gz WTILNMPKYWSZSM-HNNXBMFYSA-N 1 0 338.398 3.379 50 0 EGAARO COCCC[N@@H+]1CCCN(C(=O)c2csc3ccccc23)CC1 ZINC000363633180 457390205 /nfs/dbraw/zinc/39/02/05/457390205.db2.gz NCINDQYRXIVANE-UHFFFAOYSA-N 1 0 332.469 3.086 50 0 EGAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cnn(-c4ccccc4)c3)[C@H]2C1 ZINC000426361963 457812669 /nfs/dbraw/zinc/81/26/69/457812669.db2.gz PPWWWFPCYLDCRH-SLFFLAALSA-N 1 0 341.455 3.031 50 0 EGAARO CSCCCNC(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000426478639 457838928 /nfs/dbraw/zinc/83/89/28/457838928.db2.gz AQKSYASXCACEGR-UHFFFAOYSA-N 1 0 335.517 3.046 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cccc(C)n3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426596652 457860530 /nfs/dbraw/zinc/86/05/30/457860530.db2.gz STAJAFHCTDJGTM-HSALFYBXSA-N 1 0 330.472 3.329 50 0 EGAARO Cc1ccsc1CN(C(=O)c1cccc(OCC[NH3+])c1)C1CC1 ZINC000426627855 457865541 /nfs/dbraw/zinc/86/55/41/457865541.db2.gz VFJBFADFFKQWEP-UHFFFAOYSA-N 1 0 330.453 3.199 50 0 EGAARO CC[C@@H](NC(=O)N1CC[NH+](CCCCOC)CC1)c1ccc(C)cc1 ZINC000426685284 457876959 /nfs/dbraw/zinc/87/69/59/457876959.db2.gz KKMCRDACDMSRDH-LJQANCHMSA-N 1 0 347.503 3.200 50 0 EGAARO Cc1cccnc1[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)C1CC1 ZINC000534632458 459339617 /nfs/dbraw/zinc/33/96/17/459339617.db2.gz IUMRYBFOOHWCMZ-SFHVURJKSA-N 1 0 327.472 3.366 50 0 EGAARO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(O)cc2)C2CC2)C1 ZINC000584892959 459819508 /nfs/dbraw/zinc/81/95/08/459819508.db2.gz ISMJNTVBFOIETE-MRXNPFEDSA-N 1 0 345.487 3.187 50 0 EGAARO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000584899210 459820765 /nfs/dbraw/zinc/82/07/65/459820765.db2.gz BRJGTPNBLKOSBR-CQSZACIVSA-N 1 0 332.492 3.393 50 0 EGAARO CC[N@@H+]1C[C@H](NC(=O)Nc2ccc(Cl)c3ccccc23)[C@@H](OC)C1 ZINC000299764246 521729813 /nfs/dbraw/zinc/72/98/13/521729813.db2.gz SHABTWROTMBTOX-IRXDYDNUSA-N 1 0 347.846 3.334 50 0 EGAARO O=C(CC[N@@H+]1CCCC[C@H]1CCc1ccccn1)Nc1cccnc1 ZINC000244811491 526484435 /nfs/dbraw/zinc/48/44/35/526484435.db2.gz SDSKRQVXGIWMOQ-IBGZPJMESA-N 1 0 338.455 3.293 50 0 EGAARO CCc1oc(C(=O)N[C@H](CC)c2nc(C)c[nH]2)cc1C[NH+]1CCCC1 ZINC000670470019 548220357 /nfs/dbraw/zinc/22/03/57/548220357.db2.gz ROVCRFLIVPDXDX-OAHLLOKOSA-N 1 0 344.459 3.350 50 0 EGAARO Cc1nc(C[N@@H+]2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)c(C)o1 ZINC000685940785 550456316 /nfs/dbraw/zinc/45/63/16/550456316.db2.gz IHTHVHNEAZBSSY-KSSFIOAISA-N 1 0 328.416 3.106 50 0 EGAARO C[N@@H+]1CC[C@H](Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)C1 ZINC000685942341 550456449 /nfs/dbraw/zinc/45/64/49/550456449.db2.gz ONEIDKSUCADAOY-OAHLLOKOSA-N 1 0 326.444 3.221 50 0 EGAARO CCCNc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000019147052 1291191960 /nfs/dbraw/zinc/19/19/60/1291191960.db2.gz SALLJWVKOWLYSE-UHFFFAOYSA-N 1 0 344.503 3.384 50 0 EGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000022910551 1291227808 /nfs/dbraw/zinc/22/78/08/1291227808.db2.gz ITNQRXYRPNWQJM-SFHVURJKSA-N 1 0 349.482 3.444 50 0 EGAARO O=C(C[NH+]1CCCCCC1)NCc1cccc(C(F)(F)F)c1F ZINC000827832306 1292385291 /nfs/dbraw/zinc/38/52/91/1292385291.db2.gz WSTPWYWGSFOACQ-UHFFFAOYSA-N 1 0 332.341 3.337 50 0 EGAARO CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 ZINC000082157222 1292678185 /nfs/dbraw/zinc/67/81/85/1292678185.db2.gz OQCOAUUBUHIASR-FQEVSTJZSA-N 1 0 346.519 3.154 50 0 EGAARO Cc1nn(C)c2nc(NC[C@@H](c3cccc(C)c3)[NH+](C)C)sc12 ZINC000096139200 1292947496 /nfs/dbraw/zinc/94/74/96/1292947496.db2.gz ATHPFYVEHPLNDR-AWEZNQCLSA-N 1 0 329.473 3.361 50 0 EGAARO COc1ccc(Cc2nnc(C3CC[NH+](C(C)C)CC3)[nH]2)cc1OC ZINC000824603768 1320270168 /nfs/dbraw/zinc/27/01/68/1320270168.db2.gz GZMMQMIGFVRKJV-UHFFFAOYSA-N 1 0 344.459 3.001 50 0 EGAARO CC[C@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)[N@H+](C)CC ZINC000822549844 1320096870 /nfs/dbraw/zinc/09/68/70/1320096870.db2.gz GBPIPJDDGATMGG-MRXNPFEDSA-N 1 0 337.895 3.027 50 0 EGAARO CCc1ccc(C[NH+]2CCC(CNC(=O)c3cccnc3C)CC2)o1 ZINC000823527614 1320185208 /nfs/dbraw/zinc/18/52/08/1320185208.db2.gz VHROYUKOFIMPKU-UHFFFAOYSA-N 1 0 341.455 3.187 50 0 EGAARO C[C@@H]1CCC(=O)N1c1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000952868791 1334584170 /nfs/dbraw/zinc/58/41/70/1334584170.db2.gz AUEIOKHUNFRWAY-OAHLLOKOSA-N 1 0 329.444 3.016 50 0 EGAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1cccc(C)n1 ZINC000952988598 1334631216 /nfs/dbraw/zinc/63/12/16/1334631216.db2.gz OMWAOGCKYZNHAL-GOSISDBHSA-N 1 0 341.455 3.463 50 0 EGAARO CN1C[C@@H]2C[C@H]([N@H+](C)CCCCOc3ccccc3)C[C@@H]2CC1=O ZINC001704300009 1416432772 /nfs/dbraw/zinc/43/27/72/1416432772.db2.gz UIQDYUURMUJATK-FGTMMUONSA-N 1 0 330.472 3.034 50 0 EGAARO COc1ccnc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC001704354216 1416453909 /nfs/dbraw/zinc/45/39/09/1416453909.db2.gz XDDANRDYQSNMSM-UHFFFAOYSA-N 1 0 341.499 3.177 50 0 EGAARO Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)nc1 ZINC001704357667 1416455204 /nfs/dbraw/zinc/45/52/04/1416455204.db2.gz VMSSULLIASHMEH-GOSISDBHSA-N 1 0 338.455 3.211 50 0 EGAARO CC(C)N1C[C@H](C[NH+]2CCN(c3ccccc3Cl)CC2)CCC1=O ZINC001772814559 1441417722 /nfs/dbraw/zinc/41/77/22/1441417722.db2.gz HKVNQLKLRFPHCF-INIZCTEOSA-N 1 0 349.906 3.109 50 0 EGAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3c(C)noc3C)CC2)s1 ZINC000051098869 214079019 /nfs/dbraw/zinc/07/90/19/214079019.db2.gz DRFUGDKZGYHQJU-UHFFFAOYSA-N 1 0 333.457 3.056 50 0 EGAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN[C@@H](c2ccccc2)C1 ZINC000097636633 219043123 /nfs/dbraw/zinc/04/31/23/219043123.db2.gz QTZYDDDWESAQKF-OAQYLSRUSA-N 1 0 349.478 3.069 50 0 EGAARO COc1ccc(C2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCCC2)cc1 ZINC000097637949 219043594 /nfs/dbraw/zinc/04/35/94/219043594.db2.gz GBIIHAUTPPFLDL-GOSISDBHSA-N 1 0 330.472 3.108 50 0 EGAARO Cc1nc2cc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2[nH]1 ZINC000097675417 219046928 /nfs/dbraw/zinc/04/69/28/219046928.db2.gz MQUJCRIRQGATIO-UHFFFAOYSA-N 1 0 329.448 3.302 50 0 EGAARO Cc1cc(C)cc(OCCN(C)C(=O)CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000055199805 214289026 /nfs/dbraw/zinc/28/90/26/214289026.db2.gz MYMOAANALATYKX-SFHVURJKSA-N 1 0 332.488 3.263 50 0 EGAARO COc1ccc2oc(CNC(=O)CC[NH+]3CCCCCCC3)nc2c1 ZINC000055370470 214312938 /nfs/dbraw/zinc/31/29/38/214312938.db2.gz BNABMSIDVSYEPD-UHFFFAOYSA-N 1 0 345.443 3.109 50 0 EGAARO C[NH2+]CCCCNC(=O)Nc1cccc(-c2cccc(OC)c2)c1 ZINC000097784972 219056925 /nfs/dbraw/zinc/05/69/25/219056925.db2.gz CAFNFVNYPAKZIF-UHFFFAOYSA-N 1 0 327.428 3.483 50 0 EGAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000004678827 210245065 /nfs/dbraw/zinc/24/50/65/210245065.db2.gz VHLXMBFXHRYRPJ-INIZCTEOSA-N 1 0 327.428 3.160 50 0 EGAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)NC(C)(C)C ZINC000004657438 210239514 /nfs/dbraw/zinc/23/95/14/210239514.db2.gz RHNZEPFPWJYCKF-UHFFFAOYSA-N 1 0 348.487 3.411 50 0 EGAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCCCC3)C2=O)cc1 ZINC000004648926 210237503 /nfs/dbraw/zinc/23/75/03/210237503.db2.gz XPTZHYXEWPNOIS-SFHVURJKSA-N 1 0 344.455 3.420 50 0 EGAARO O=C(NCC[NH2+]Cc1c[nH]c2ccccc12)c1ccccc1Cl ZINC000004498152 210205618 /nfs/dbraw/zinc/20/56/18/210205618.db2.gz AAEIPSDJKVUNSE-UHFFFAOYSA-N 1 0 327.815 3.341 50 0 EGAARO CC1(C)CC(NC(=O)c2ccc(Br)o2)CC(C)(C)[NH2+]1 ZINC000004387597 210186562 /nfs/dbraw/zinc/18/65/62/210186562.db2.gz ZRXBTRQFWLKRTH-UHFFFAOYSA-N 1 0 329.238 3.081 50 0 EGAARO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004188092 210142289 /nfs/dbraw/zinc/14/22/89/210142289.db2.gz PLOYJZJBKMLKKY-YQQAZPJKSA-N 1 0 348.487 3.171 50 0 EGAARO Cc1ccsc1CNC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1 ZINC000065526857 214946216 /nfs/dbraw/zinc/94/62/16/214946216.db2.gz VSZIQVNDGBGZFA-UHFFFAOYSA-N 1 0 344.480 3.182 50 0 EGAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000066887565 215091880 /nfs/dbraw/zinc/09/18/80/215091880.db2.gz UZGZIVDTHVUGTK-UHFFFAOYSA-N 1 0 326.387 3.454 50 0 EGAARO O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000102809226 219231678 /nfs/dbraw/zinc/23/16/78/219231678.db2.gz AQPJPKXRZMKLHG-UUXOXCDMSA-N 1 0 340.467 3.042 50 0 EGAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1CCn1c2ccccc2oc1=O ZINC000067674424 215178944 /nfs/dbraw/zinc/17/89/44/215178944.db2.gz PSNJJAMXUMRGCU-HNNXBMFYSA-N 1 0 327.384 3.036 50 0 EGAARO C[C@@H](O)C[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000002879727 209935186 /nfs/dbraw/zinc/93/51/86/209935186.db2.gz UFRBJNAUJDLKEN-QGZVFWFLSA-N 1 0 329.440 3.395 50 0 EGAARO CSc1ccc2cc(C[N@H+](C)[C@@H](C)c3ccncn3)c(=O)[nH]c2c1 ZINC000067884470 215241077 /nfs/dbraw/zinc/24/10/77/215241077.db2.gz FQJKOOHVKPEPQP-LBPRGKRZSA-N 1 0 340.452 3.233 50 0 EGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039442533 213236265 /nfs/dbraw/zinc/23/62/65/213236265.db2.gz RVRWMNUJKOHVTJ-OAQYLSRUSA-N 1 0 342.458 3.203 50 0 EGAARO CC[C@H](C)CC(=O)NCCN1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000039356433 213234394 /nfs/dbraw/zinc/23/43/94/213234394.db2.gz FANRPCSHUCQHGO-RDJZCZTQSA-N 1 0 348.487 3.221 50 0 EGAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000038674537 213220984 /nfs/dbraw/zinc/22/09/84/213220984.db2.gz XRWGATQOKTUQPO-UHFFFAOYSA-N 1 0 345.443 3.191 50 0 EGAARO OC[C@@]1(O)CCC[N@H+](Cc2sc3ccccc3c2Cl)CC1 ZINC000072137100 216024489 /nfs/dbraw/zinc/02/44/89/216024489.db2.gz JUGVZOCFBIMIGH-MRXNPFEDSA-N 1 0 325.861 3.264 50 0 EGAARO Cn1cc(SCC(=O)N2CCC[C@H]([NH+](C)C)CC2)c2ccccc21 ZINC000072144227 216031074 /nfs/dbraw/zinc/03/10/74/216031074.db2.gz PNDVIECRCXUXFH-HNNXBMFYSA-N 1 0 345.512 3.213 50 0 EGAARO C[NH+](C)[C@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000072153270 216042542 /nfs/dbraw/zinc/04/25/42/216042542.db2.gz GCYQLYNJBGYESL-LBPRGKRZSA-N 1 0 335.498 3.428 50 0 EGAARO Cc1nc[nH]c1C[N@@H+]1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072157418 216047267 /nfs/dbraw/zinc/04/72/67/216047267.db2.gz DEYGMLJASBMKNA-CEWLAPEOSA-N 1 0 336.483 3.089 50 0 EGAARO Cc1nnnn1CCC[N@@H+]1CCC[C@H](CCc2ccccc2C)C1 ZINC000072156816 216047446 /nfs/dbraw/zinc/04/74/46/216047446.db2.gz GLKKZHQNJWLZJR-GOSISDBHSA-N 1 0 327.476 3.025 50 0 EGAARO COc1cccc(CC[C@@H]2CCC[N@H+](CCC(=O)NC(C)C)C2)c1 ZINC000072166416 216056366 /nfs/dbraw/zinc/05/63/66/216056366.db2.gz SGUPFTSUGOYIIF-SFHVURJKSA-N 1 0 332.488 3.255 50 0 EGAARO C/C=C/CC(=O)N1C[C@H](c2ccccc2OC)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072169416 216060577 /nfs/dbraw/zinc/06/05/77/216060577.db2.gz AOLBMDGQMRORIZ-PSWPHCPBSA-N 1 0 340.467 3.050 50 0 EGAARO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000072411714 216203895 /nfs/dbraw/zinc/20/38/95/216203895.db2.gz CSCLMGAWNAHCKI-LJQANCHMSA-N 1 0 326.419 3.108 50 0 EGAARO C[C@H](C1CCN(Cc2ccc(F)c(F)c2F)CC1)[NH+]1CCOCC1 ZINC000072473011 216250903 /nfs/dbraw/zinc/25/09/03/216250903.db2.gz HYHUBTYVABEBIJ-CYBMUJFWSA-N 1 0 342.405 3.037 50 0 EGAARO Cc1nn(CCO)cc1C[NH+]1CCC(Sc2ccccc2C)CC1 ZINC000072478065 216257550 /nfs/dbraw/zinc/25/75/50/216257550.db2.gz HJXLCVWMRNURIQ-UHFFFAOYSA-N 1 0 345.512 3.249 50 0 EGAARO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1cnc(N2CCCCC2)nc1 ZINC000215048286 241102815 /nfs/dbraw/zinc/10/28/15/241102815.db2.gz CJLYHJXRVGNQQH-LJQANCHMSA-N 1 0 340.471 3.022 50 0 EGAARO COCCc1noc([C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000215141547 241107753 /nfs/dbraw/zinc/10/77/53/241107753.db2.gz FUVFCTRLNRVATE-HNNXBMFYSA-N 1 0 341.411 3.384 50 0 EGAARO COc1ccc(C2(CC[NH3+])CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000205360719 241043238 /nfs/dbraw/zinc/04/32/38/241043238.db2.gz NKYWEFIYMKQJFC-UHFFFAOYSA-N 1 0 334.460 3.313 50 0 EGAARO CCc1nccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000216301901 241180039 /nfs/dbraw/zinc/18/00/39/241180039.db2.gz YQKYAYPYQUTNMZ-INIZCTEOSA-N 1 0 349.438 3.469 50 0 EGAARO Fc1cccc([C@@]2(CN3CC[NH+](CC4CCCC4)CC3)CCOC2)c1 ZINC000020996972 212196092 /nfs/dbraw/zinc/19/60/92/212196092.db2.gz VTFXVCLXRJEGHR-OAQYLSRUSA-N 1 0 346.490 3.292 50 0 EGAARO Cc1ncsc1CC[N@@H+](C)Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244715768 243063242 /nfs/dbraw/zinc/06/32/42/243063242.db2.gz LBXFKCPMXWGZAU-UHFFFAOYSA-N 1 0 335.473 3.115 50 0 EGAARO CC[NH+](CC)C[C@H]1CCCN1c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000020864430 212178537 /nfs/dbraw/zinc/17/85/37/212178537.db2.gz UHUUIXMKZXFLAU-MRXNPFEDSA-N 1 0 341.459 3.320 50 0 EGAARO O=c1cc(C[NH+]2CCC(n3cc(C4CCCCC4)nn3)CC2)cc[nH]1 ZINC000020856106 212177445 /nfs/dbraw/zinc/17/74/45/212177445.db2.gz YZXTWKNMHLLYLB-UHFFFAOYSA-N 1 0 341.459 3.264 50 0 EGAARO Cc1nc2cc(CNc3cc([C@H]4C[C@H]([NH3+])C4)nc(C4CC4)n3)ccc2[nH]1 ZINC000244874838 243095573 /nfs/dbraw/zinc/09/55/73/243095573.db2.gz XIBKVDPUHMXCLI-SHTZXODSSA-N 1 0 348.454 3.356 50 0 EGAARO C[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020756480 212170130 /nfs/dbraw/zinc/17/01/30/212170130.db2.gz UKMMIHKBIFDMAW-UXHICEINSA-N 1 0 329.415 3.149 50 0 EGAARO COc1cc(C(C)=O)ccc1OCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020653400 212160015 /nfs/dbraw/zinc/16/00/15/212160015.db2.gz HVDNOTGXSYFVOM-HUUCEWRRSA-N 1 0 335.444 3.166 50 0 EGAARO COCc1ccc(C[NH2+][C@@H]2CCCN(Cc3cccc(OC)c3)C2)o1 ZINC000020600850 212151715 /nfs/dbraw/zinc/15/17/15/212151715.db2.gz UHZJJSSROCITNH-QGZVFWFLSA-N 1 0 344.455 3.189 50 0 EGAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](CCCSC)C2)c(OC)c1 ZINC000020600328 212151359 /nfs/dbraw/zinc/15/13/59/212151359.db2.gz LYKLNUCFHJCHIB-AWEZNQCLSA-N 1 0 337.485 3.352 50 0 EGAARO CC[C@@H](c1ccc(OC)cc1)[N@H+](C)CC(=O)Nc1ccc(C)cn1 ZINC000252490633 243796441 /nfs/dbraw/zinc/79/64/41/243796441.db2.gz KYDGBCWJVHQMTM-KRWDZBQOSA-N 1 0 327.428 3.420 50 0 EGAARO CC(C)(C)C[N@@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000020450342 212129879 /nfs/dbraw/zinc/12/98/79/212129879.db2.gz NKAJXOAPAOUTRG-HNNXBMFYSA-N 1 0 347.528 3.211 50 0 EGAARO CCOC(=O)c1c(C[NH+](C)C)oc2cc(Br)c(O)cc21 ZINC000019933990 212086826 /nfs/dbraw/zinc/08/68/26/212086826.db2.gz QZRAFKUFPIVZMQ-UHFFFAOYSA-N 1 0 342.189 3.139 50 0 EGAARO Cc1ccc(CN2CC[N@H+](Cc3cc(C)ccc3C)C[C@@H]2CCO)o1 ZINC000019839783 212074402 /nfs/dbraw/zinc/07/44/02/212074402.db2.gz IDGYFQPHYOYAMP-FQEVSTJZSA-N 1 0 342.483 3.274 50 0 EGAARO CC[C@@H](C)[NH+]1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000019362938 212021390 /nfs/dbraw/zinc/02/13/90/212021390.db2.gz MJSJBRSJEVXTHY-CYBMUJFWSA-N 1 0 341.293 3.374 50 0 EGAARO COc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3C2)c1OC ZINC000019227709 212007219 /nfs/dbraw/zinc/00/72/19/212007219.db2.gz LUMLENRSHIVJOM-HNNXBMFYSA-N 1 0 333.815 3.451 50 0 EGAARO O=C1C[C@@H]([NH2+]C2CCSCC2)CN1Cc1cccc2ccccc21 ZINC000015079340 211800153 /nfs/dbraw/zinc/80/01/53/211800153.db2.gz QDBLSTITNYSBHO-GOSISDBHSA-N 1 0 340.492 3.426 50 0 EGAARO O=C(/C=C/c1ccncc1)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012448632 211386265 /nfs/dbraw/zinc/38/62/65/211386265.db2.gz TVJYKWVVQYAYGH-RQWLHQTBSA-N 1 0 349.478 3.308 50 0 EGAARO O=C(CCc1cccnc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012434443 211380727 /nfs/dbraw/zinc/38/07/27/211380727.db2.gz BXBRWVKRNMTUPA-GOSISDBHSA-N 1 0 329.488 3.318 50 0 EGAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000012317910 211344910 /nfs/dbraw/zinc/34/49/10/211344910.db2.gz UUDLWSQKIXCNPA-INIZCTEOSA-N 1 0 338.407 3.214 50 0 EGAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000012196416 211317937 /nfs/dbraw/zinc/31/79/37/211317937.db2.gz BCEWGWGVAIJVLY-HNNXBMFYSA-N 1 0 346.814 3.101 50 0 EGAARO COc1cccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C)CC2)c1 ZINC000012182344 211311759 /nfs/dbraw/zinc/31/17/59/211311759.db2.gz YXUOZDDIRYHKRP-UHFFFAOYSA-N 1 0 338.451 3.238 50 0 EGAARO CC(C)OCCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000012165113 211310525 /nfs/dbraw/zinc/31/05/25/211310525.db2.gz IUIUVJONUXBNMW-GOSISDBHSA-N 1 0 336.451 3.112 50 0 EGAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000091390992 218000392 /nfs/dbraw/zinc/00/03/92/218000392.db2.gz BLDFRJGEPZDAGC-HNNXBMFYSA-N 1 0 339.483 3.494 50 0 EGAARO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3cccc(C)c3)oc2C)CC1=O ZINC000011934596 211272060 /nfs/dbraw/zinc/27/20/60/211272060.db2.gz UZXAZLJRHNGUKI-MRXNPFEDSA-N 1 0 341.455 3.259 50 0 EGAARO Cc1ccc(C[C@H](C)[N@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000011910988 211267813 /nfs/dbraw/zinc/26/78/13/211267813.db2.gz CPVLWVXAKGRYJN-SFHVURJKSA-N 1 0 337.467 3.056 50 0 EGAARO FC(F)(F)c1ccnc(NCC[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000091644455 218037467 /nfs/dbraw/zinc/03/74/67/218037467.db2.gz FTBXJWKEGAUDPL-AWEZNQCLSA-N 1 0 336.361 3.397 50 0 EGAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccoc1 ZINC000011769412 211246345 /nfs/dbraw/zinc/24/63/45/211246345.db2.gz UJCWGLZPNWKEKN-INIZCTEOSA-N 1 0 344.430 3.445 50 0 EGAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CC(C)C)C3)C2=O)c1 ZINC000011753650 211243641 /nfs/dbraw/zinc/24/36/41/211243641.db2.gz HIAIAZASIZJSFH-HXUWFJFHSA-N 1 0 330.472 3.166 50 0 EGAARO COCC[C@]1(O)CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1C ZINC000091713508 218053340 /nfs/dbraw/zinc/05/33/40/218053340.db2.gz OBPWUWGKODZSME-OXQOHEQNSA-N 1 0 344.455 3.259 50 0 EGAARO Cc1cccnc1NCC[NH2+]Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091997546 218100566 /nfs/dbraw/zinc/10/05/66/218100566.db2.gz PDEOXROSNATJQK-UHFFFAOYSA-N 1 0 342.830 3.499 50 0 EGAARO CCOCCOc1cccc(C(=O)N2CC[N@H+](C(C)C)[C@@H](CC)C2)c1 ZINC000091943962 218093619 /nfs/dbraw/zinc/09/36/19/218093619.db2.gz GNHKDAVCRSCFDY-SFHVURJKSA-N 1 0 348.487 3.047 50 0 EGAARO Cc1n[nH]c(C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)n1 ZINC000092736820 218163796 /nfs/dbraw/zinc/16/37/96/218163796.db2.gz SLUJUVKKSZHCRP-UHFFFAOYSA-N 1 0 340.406 3.022 50 0 EGAARO CC(C)[C@H]1C[C@](CC(=O)NCC[NH+](C)C)(Cc2ccccc2)CCO1 ZINC000009576315 211104103 /nfs/dbraw/zinc/10/41/03/211104103.db2.gz HGFFXCQYWZSSNI-TZIWHRDSSA-N 1 0 346.515 3.118 50 0 EGAARO O=C(COc1ccccc1Cl)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009531350 211099652 /nfs/dbraw/zinc/09/96/52/211099652.db2.gz LIJVINSXPPJQJP-HNNXBMFYSA-N 1 0 348.830 3.265 50 0 EGAARO C[C@H](Cc1cccnc1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095352214 218286393 /nfs/dbraw/zinc/28/63/93/218286393.db2.gz IRGLEDNMQUCOOE-QGZVFWFLSA-N 1 0 337.467 3.429 50 0 EGAARO C[C@@H]1C[N@H+](C2CCN(c3nccc4ccccc43)CC2)C[C@H](C)O1 ZINC000095357954 218291970 /nfs/dbraw/zinc/29/19/70/218291970.db2.gz OXMKLMZEPITSJD-IYBDPMFKSA-N 1 0 325.456 3.313 50 0 EGAARO CSc1nccc(N2CCC([NH2+]CCCc3ccccc3)CC2)n1 ZINC000095367298 218300313 /nfs/dbraw/zinc/30/03/13/218300313.db2.gz SPTUDIWYFORJQL-UHFFFAOYSA-N 1 0 342.512 3.390 50 0 EGAARO O=C(CCOc1ccccc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095380078 218312456 /nfs/dbraw/zinc/31/24/56/218312456.db2.gz MEHIYSUWMSWVCA-RTBURBONSA-N 1 0 342.483 3.178 50 0 EGAARO CN1CC2(CCN(c3cc[nH+]cc3)CC2)C[C@H](c2ccccc2)C1=O ZINC000095383694 218316008 /nfs/dbraw/zinc/31/60/08/218316008.db2.gz VBBIDVZONCTTDI-LJQANCHMSA-N 1 0 335.451 3.314 50 0 EGAARO OC[C@@H]1C[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1CO ZINC000097480366 219029382 /nfs/dbraw/zinc/02/93/82/219029382.db2.gz NJLAXGVCTGQMIY-ROUUACIJSA-N 1 0 331.843 3.040 50 0 EGAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)cc3)C[C@H]2C[C@@H]1O ZINC000097604128 219040113 /nfs/dbraw/zinc/04/01/13/219040113.db2.gz OYJWHUZLLNJNLS-BTYSMDAFSA-N 1 0 341.426 3.056 50 0 EGAARO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000097568836 219035374 /nfs/dbraw/zinc/03/53/74/219035374.db2.gz ZYKVSKVVIFAAPK-AWEZNQCLSA-N 1 0 342.361 3.172 50 0 EGAARO COc1ccc2[nH]c(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1 ZINC000504765601 257704037 /nfs/dbraw/zinc/70/40/37/257704037.db2.gz LGIFLRZBMIUGON-KUHUBIRLSA-N 1 0 341.455 3.171 50 0 EGAARO CNC(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000426407466 257969195 /nfs/dbraw/zinc/96/91/95/257969195.db2.gz CFAMPDYSEQEPQS-UHFFFAOYSA-N 1 0 337.467 3.149 50 0 EGAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1 ZINC000299768388 258082949 /nfs/dbraw/zinc/08/29/49/258082949.db2.gz MZTMNWPIJUHWAY-PMACEKPBSA-N 1 0 338.451 3.191 50 0 EGAARO COc1c(C)cccc1C(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000299773523 258085345 /nfs/dbraw/zinc/08/53/45/258085345.db2.gz DWQHZAMUFZKZFX-SFHVURJKSA-N 1 0 326.440 3.426 50 0 EGAARO COC(=O)c1cc(C[NH3+])cc(NC(=O)/C=C/c2ccccc2Cl)c1 ZINC000299773366 258085625 /nfs/dbraw/zinc/08/56/25/258085625.db2.gz GAPJCUAHGNSSEO-VOTSOKGWSA-N 1 0 344.798 3.237 50 0 EGAARO COc1ccc(F)cc1-c1cccc(C(=O)N[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000299778679 258088592 /nfs/dbraw/zinc/08/85/92/258088592.db2.gz KJROWGQZKNWGAC-CVEARBPZSA-N 1 0 328.387 3.111 50 0 EGAARO CC(C)c1cc(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)on1 ZINC000299782164 258090469 /nfs/dbraw/zinc/09/04/69/258090469.db2.gz XFGYGAGGPDDHAP-UHFFFAOYSA-N 1 0 343.475 3.496 50 0 EGAARO O=C(Nc1cccc(-c2cccc(F)c2)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299768659 258082551 /nfs/dbraw/zinc/08/25/51/258082551.db2.gz LUEZGBIGAQQTPM-MAUKXSAKSA-N 1 0 325.387 3.318 50 0 EGAARO CC[C@H](CO)[NH2+]C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000004139782 135662440 /nfs/dbraw/zinc/66/24/40/135662440.db2.gz GDAWASZFWNMWKN-HUUCEWRRSA-N 1 0 344.480 3.011 50 0 EGAARO Fc1cccc(-c2cnnc(N3CCC([NH+]4CCCCC4)CC3)n2)c1 ZINC000011661196 135690424 /nfs/dbraw/zinc/69/04/24/135690424.db2.gz JAKOJMHCYSVSFE-UHFFFAOYSA-N 1 0 341.434 3.132 50 0 EGAARO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000019795005 274189131 /nfs/dbraw/zinc/18/91/31/274189131.db2.gz OXKWGNVKKKORPQ-HNNXBMFYSA-N 1 0 332.513 3.397 50 0 EGAARO c1nc2c([nH]1)[C@H](Cc1ccccc1)[N@H+](Cc1cccc3nonc31)CC2 ZINC000067642536 275075760 /nfs/dbraw/zinc/07/57/60/275075760.db2.gz JPIBRQPOJUQUKG-SFHVURJKSA-N 1 0 345.406 3.288 50 0 EGAARO CC(C)c1ccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000091849389 276053301 /nfs/dbraw/zinc/05/33/01/276053301.db2.gz HTIIDAJJAXOJCA-NHCUHLMSSA-N 1 0 330.516 3.336 50 0 EGAARO COc1ccc(-n2nnnc2C2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000022436293 295051782 /nfs/dbraw/zinc/05/17/82/295051782.db2.gz CVKIORXIJINMPZ-UHFFFAOYSA-N 1 0 341.459 3.316 50 0 EGAARO Fc1ccc(-c2nnc3n2C[C@@H]([NH2+]C2CC4(CCC4)C2)CC3)cc1 ZINC000459456347 310553921 /nfs/dbraw/zinc/55/39/21/310553921.db2.gz DXOSTSVOPQEZSU-HNNXBMFYSA-N 1 0 326.419 3.321 50 0 EGAARO C[C@@H](NC(=O)CC[N@@H+]1CCCC2(CCOCC2)C1)c1ccccc1 ZINC000244724211 455275914 /nfs/dbraw/zinc/27/59/14/455275914.db2.gz MPZKQSYBBCSTBP-QGZVFWFLSA-N 1 0 330.472 3.147 50 0 EGAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000000128560 452515017 /nfs/dbraw/zinc/51/50/17/452515017.db2.gz RFJRAGYBQFSROD-UHFFFAOYSA-N 1 0 329.831 3.344 50 0 EGAARO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000000557726 452622548 /nfs/dbraw/zinc/62/25/48/452622548.db2.gz HENJOABPYIXRJA-UHFFFAOYSA-N 1 0 343.452 3.392 50 0 EGAARO COc1cc(C[NH2+]CCCCO)ccc1OCc1ccccc1F ZINC000002178089 452688477 /nfs/dbraw/zinc/68/84/77/452688477.db2.gz CZHKWPCBRQWDBC-UHFFFAOYSA-N 1 0 333.403 3.275 50 0 EGAARO CC[NH2+]CC(=O)N1c2ccccc2CCc2ccc(NC(C)=O)cc21 ZINC000002226523 452690363 /nfs/dbraw/zinc/69/03/63/452690363.db2.gz NHXMIJPACPHZPF-UHFFFAOYSA-N 1 0 337.423 3.018 50 0 EGAARO CCCc1cc(N2CC[NH+](C)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002341501 452693056 /nfs/dbraw/zinc/69/30/56/452693056.db2.gz ZQVJVXXLBMRWQQ-UHFFFAOYSA-N 1 0 349.482 3.409 50 0 EGAARO CCOc1ccc(Br)c([C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000002345303 452696177 /nfs/dbraw/zinc/69/61/77/452696177.db2.gz KTZNNKANCYRNTA-HSMVNMDESA-N 1 0 342.277 3.396 50 0 EGAARO CCCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000002500731 452702262 /nfs/dbraw/zinc/70/22/62/452702262.db2.gz KJISFIHAFDNXCG-QAPCUYQASA-N 1 0 344.455 3.372 50 0 EGAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)C1CCCC1 ZINC000002514762 452702358 /nfs/dbraw/zinc/70/23/58/452702358.db2.gz NHZZVMMSVAAPRB-UHFFFAOYSA-N 1 0 329.440 3.398 50 0 EGAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OCc1ccccc1F ZINC000002845965 452730388 /nfs/dbraw/zinc/73/03/88/452730388.db2.gz QLDMMHRUCMWMAI-UHFFFAOYSA-N 1 0 339.794 3.149 50 0 EGAARO CCCCOc1ccc(N2C(=O)C[C@H](N3CCC(C)CC3)C2=O)cc1 ZINC000002965251 452735924 /nfs/dbraw/zinc/73/59/24/452735924.db2.gz KNZRDNVUKXSFAQ-SFHVURJKSA-N 1 0 344.455 3.229 50 0 EGAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1Br ZINC000003156041 452746935 /nfs/dbraw/zinc/74/69/35/452746935.db2.gz BPHYNPKPWOFXDN-HZSPNIEDSA-N 1 0 342.277 3.452 50 0 EGAARO CCOc1ccc2[nH]c3c(ncnc3NC[C@H]3CCC[N@@H+]3CC)c2c1 ZINC000005163413 452842413 /nfs/dbraw/zinc/84/24/13/452842413.db2.gz BGJROBRBXVOHEE-CYBMUJFWSA-N 1 0 339.443 3.406 50 0 EGAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000005453182 452874847 /nfs/dbraw/zinc/87/48/47/452874847.db2.gz DYAAEDJEASEHBW-UHFFFAOYSA-N 1 0 339.288 3.004 50 0 EGAARO COCC[N@H+](Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C)C(C)C ZINC000015073137 453554269 /nfs/dbraw/zinc/55/42/69/453554269.db2.gz RDKAUMRSHZFFMC-UHFFFAOYSA-N 1 0 346.427 3.293 50 0 EGAARO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000016580429 453611368 /nfs/dbraw/zinc/61/13/68/453611368.db2.gz WVSSLDLGSOHJRQ-CQSZACIVSA-N 1 0 338.879 3.405 50 0 EGAARO C[NH+](C)[C@H]1CCCCN(C(=O)CCSCc2ccc(F)cc2)C1 ZINC000082099015 453923714 /nfs/dbraw/zinc/92/37/14/453923714.db2.gz UHNWFVGYFDWLNU-KRWDZBQOSA-N 1 0 338.492 3.392 50 0 EGAARO CN(C)Cc1nnc(C2CC[NH+](Cc3cccs3)CC2)n1C1CC1 ZINC000082115917 453924458 /nfs/dbraw/zinc/92/44/58/453924458.db2.gz CRBPSVXSOPJXGP-UHFFFAOYSA-N 1 0 345.516 3.116 50 0 EGAARO CC[C@@H](C)NC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082166692 453926652 /nfs/dbraw/zinc/92/66/52/453926652.db2.gz WXOBETZMALLWEJ-OAHLLOKOSA-N 1 0 347.507 3.019 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1ccco1)Cc1ccccc1Cn1cccn1 ZINC000055392927 453980861 /nfs/dbraw/zinc/98/08/61/453980861.db2.gz NSDRVLKVYKFUQH-LJQANCHMSA-N 1 0 339.439 3.298 50 0 EGAARO NC(=O)COc1cccc(C[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000076805194 454038654 /nfs/dbraw/zinc/03/86/54/454038654.db2.gz HZNGJKZFKJVXIB-KRWDZBQOSA-N 1 0 328.412 3.261 50 0 EGAARO Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)[nH]n1 ZINC000077357733 454096882 /nfs/dbraw/zinc/09/68/82/454096882.db2.gz QTFFVCQWQKXTGM-GOSISDBHSA-N 1 0 326.444 3.147 50 0 EGAARO Cc1cccc(-n2ncc3c2CCC[C@H]3[NH2+]CC(C)(C)CO)c1C ZINC000077397496 454102001 /nfs/dbraw/zinc/10/20/01/454102001.db2.gz XBBMZYNNLQGLHV-QGZVFWFLSA-N 1 0 327.472 3.475 50 0 EGAARO COc1cc(Cl)cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1OC(C)C ZINC000077439015 454106115 /nfs/dbraw/zinc/10/61/15/454106115.db2.gz NNZGNRPCRFNIDY-XJKSGUPXSA-N 1 0 338.879 3.272 50 0 EGAARO CC(C)SCC(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000077471684 454109981 /nfs/dbraw/zinc/10/99/81/454109981.db2.gz 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ZINC000004498149 210204868 /nfs/dbraw/zinc/20/48/68/210204868.db2.gz YEQNGKMXBSEHAQ-UHFFFAOYSA-N 1 0 327.815 3.341 50 0 EGAARO CN(C)c1ccc(CCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000265722832 282288501 /nfs/dbraw/zinc/28/85/01/282288501.db2.gz MWKLUKCMYMTACF-UHFFFAOYSA-N 1 0 343.515 3.162 50 0 EGAARO CCCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000004462133 210194979 /nfs/dbraw/zinc/19/49/79/210194979.db2.gz KJISFIHAFDNXCG-MAUKXSAKSA-N 1 0 344.455 3.372 50 0 EGAARO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccccc1)[C@@H](C)N2 ZINC000003787618 210075343 /nfs/dbraw/zinc/07/53/43/210075343.db2.gz XXBDOTXPQDVHIP-SNVBAGLBSA-N 1 0 325.372 3.167 50 0 in-vitro EGAARO C[C@H](c1ccc(C(=O)NCCc2ccccn2)o1)[NH+]1CCCCC1 ZINC000102542511 219209397 /nfs/dbraw/zinc/20/93/97/219209397.db2.gz NGDCFPZITYNLNW-OAHLLOKOSA-N 1 0 327.428 3.194 50 0 EGAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3cccc(N)c3)C2)cc1C ZINC000067654967 215175099 /nfs/dbraw/zinc/17/50/99/215175099.db2.gz CJDLUUOUGZXQSF-SFHVURJKSA-N 1 0 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/nfs/dbraw/zinc/20/77/71/215207771.db2.gz ZCEXYVWMGFLEJS-LBPRGKRZSA-N 1 0 340.345 3.437 50 0 EGAARO CCC(C)(C)[NH2+]C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067770531 215208473 /nfs/dbraw/zinc/20/84/73/215208473.db2.gz IULJUBWXPDMZDE-NRFANRHFSA-N 1 0 346.515 3.442 50 0 EGAARO Cc1ccc(C2(O)CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)nc1 ZINC000067790606 215213636 /nfs/dbraw/zinc/21/36/36/215213636.db2.gz DJCHMANQGWPGDL-UHFFFAOYSA-N 1 0 342.414 3.086 50 0 EGAARO O=C(NCCc1ccccc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038489587 213211708 /nfs/dbraw/zinc/21/17/08/213211708.db2.gz SJDPSZYQQIYNBW-UHFFFAOYSA-N 1 0 341.455 3.034 50 0 EGAARO CCc1nc(C)sc1C[N@@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000072127386 216018175 /nfs/dbraw/zinc/01/81/75/216018175.db2.gz OFJARVOGKSPAGH-HNNXBMFYSA-N 1 0 335.517 3.381 50 0 EGAARO CCc1ccc2nc(C)cc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000072140317 216026325 /nfs/dbraw/zinc/02/63/25/216026325.db2.gz RYLRKKHDXMNRNO-KRWDZBQOSA-N 1 0 337.467 3.416 50 0 EGAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cc1=O ZINC000072144093 216030066 /nfs/dbraw/zinc/03/00/66/216030066.db2.gz DSTJDPZQRISFQK-ZDUSSCGKSA-N 1 0 349.381 3.151 50 0 EGAARO O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072154767 216043991 /nfs/dbraw/zinc/04/39/91/216043991.db2.gz UALRCWQKQCKLRI-LLVKDONJSA-N 1 0 346.333 3.337 50 0 EGAARO CC[C@H](CNc1nc(C(C)C)nc2c1cnn2C)[NH+]1CCCCC1 ZINC000072164398 216053453 /nfs/dbraw/zinc/05/34/53/216053453.db2.gz PWKSYJXEGDFHHG-CQSZACIVSA-N 1 0 330.480 3.163 50 0 EGAARO O=C(NCc1ccc2c(c1)CCCO2)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072166651 216056514 /nfs/dbraw/zinc/05/65/14/216056514.db2.gz PSPMVWAGATXLOK-IBGZPJMESA-N 1 0 336.435 3.019 50 0 EGAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc1 ZINC000072169598 216060539 /nfs/dbraw/zinc/06/05/39/216060539.db2.gz QGLLOTAGNMDSPH-NJELEJDNSA-N 1 0 339.439 3.392 50 0 EGAARO [NH3+]C[C@@H]1Cc2cc(-c3ccc4c(c3)OCCC4=O)cc(Cl)c2O1 ZINC000067654721 283488273 /nfs/dbraw/zinc/48/82/73/283488273.db2.gz FNCIDAWKRGIPNY-ZDUSSCGKSA-N 1 0 329.783 3.234 50 0 EGAARO Fc1ccc([C@@H]2C[N@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072420010 216208443 /nfs/dbraw/zinc/20/84/43/216208443.db2.gz RITQYHNDYBGFJR-PWRODBHTSA-N 1 0 337.442 3.283 50 0 EGAARO C[C@H](C(=O)N(C)Cc1ccc(-n2cccn2)cc1)[NH+]1CCCCCC1 ZINC000072422224 216210732 /nfs/dbraw/zinc/21/07/32/216210732.db2.gz AWEBJEDTMCCTDA-QGZVFWFLSA-N 1 0 340.471 3.095 50 0 EGAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)CCCc1cn[nH]c1 ZINC000072429898 216221781 /nfs/dbraw/zinc/22/17/81/216221781.db2.gz FQFQEZFSAWIXEJ-UHFFFAOYSA-N 1 0 346.519 3.380 50 0 EGAARO Cc1nc[nH]c1C[N@@H+]1CCCC12CCN(c1cccc(C)n1)CC2 ZINC000072477062 216254687 /nfs/dbraw/zinc/25/46/87/216254687.db2.gz SUWPOCQMUWMMHV-UHFFFAOYSA-N 1 0 325.460 3.057 50 0 EGAARO NC(=O)c1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191356690 239063038 /nfs/dbraw/zinc/06/30/38/239063038.db2.gz BOMHBRGJLNVSQE-UHFFFAOYSA-N 1 0 345.446 3.425 50 0 EGAARO Oc1cccc(C[NH+]2CCC(n3cc(-c4ccccc4)nn3)CC2)c1 ZINC000023191805 212359542 /nfs/dbraw/zinc/35/95/42/212359542.db2.gz IBBRDXOWZGHLLA-UHFFFAOYSA-N 1 0 334.423 3.488 50 0 EGAARO O=C(NCCOCc1ccccc1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000215177715 241111111 /nfs/dbraw/zinc/11/11/11/241111111.db2.gz MCEFMQCUCBPCJJ-HXUWFJFHSA-N 1 0 338.451 3.100 50 0 EGAARO Cn1cc(CC[N@H+](C)Cc2cccc(OCc3ccccn3)c2)cn1 ZINC000215710492 241140165 /nfs/dbraw/zinc/14/01/65/241140165.db2.gz NXRZIMIFFIBXBD-UHFFFAOYSA-N 1 0 336.439 3.069 50 0 EGAARO CN(Cc1cccc(OCc2ccccn2)c1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000216131939 241166876 /nfs/dbraw/zinc/16/68/76/241166876.db2.gz NWWJFBYEANCYKY-NRFANRHFSA-N 1 0 339.483 3.434 50 0 EGAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c(OC)cccc2OC)C1 ZINC000020993031 212195069 /nfs/dbraw/zinc/19/50/69/212195069.db2.gz QKQLDOLCBHYAAQ-OAHLLOKOSA-N 1 0 329.444 3.369 50 0 EGAARO O=C(CSCc1ccccc1Cl)NC[C@H]1CCCCC[NH2+]1 ZINC000240936819 242981019 /nfs/dbraw/zinc/98/10/19/242981019.db2.gz SEHFCHXEPBDBES-CQSZACIVSA-N 1 0 326.893 3.222 50 0 EGAARO COCc1nc(NCc2ccc(C)c(C)c2)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244788035 243082286 /nfs/dbraw/zinc/08/22/86/243082286.db2.gz QIBDINCFCIQXLT-IYBDPMFKSA-N 1 0 326.444 3.057 50 0 EGAARO CC(C)(C)C[N@@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020782155 212171202 /nfs/dbraw/zinc/17/12/02/212171202.db2.gz ODXAORPGZUTELJ-IBGZPJMESA-N 1 0 341.499 3.150 50 0 EGAARO Cc1ccnn1CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000244874336 243094397 /nfs/dbraw/zinc/09/43/97/243094397.db2.gz WZPNNBXLGWADRQ-KRWDZBQOSA-N 1 0 337.427 3.121 50 0 EGAARO Cc1nc(CC(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)c(C)s1 ZINC000244882828 243097847 /nfs/dbraw/zinc/09/78/47/243097847.db2.gz XZUDLPYNUVANRU-OAHLLOKOSA-N 1 0 335.517 3.073 50 0 EGAARO C[C@@H](Cc1ccc(O)cc1)[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000020515820 212142990 /nfs/dbraw/zinc/14/29/90/212142990.db2.gz KFHVVKRRJJAOPI-AWEZNQCLSA-N 1 0 326.444 3.129 50 0 EGAARO COc1cccc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1OC ZINC000019832036 212072843 /nfs/dbraw/zinc/07/28/43/212072843.db2.gz GGVGEFVMFZWFFU-WMZOPIPTSA-N 1 0 332.488 3.400 50 0 EGAARO COc1cccc(CN2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c1OC ZINC000019788509 212066488 /nfs/dbraw/zinc/06/64/88/212066488.db2.gz KNFCKSJZLITXJK-SJLPKXTDSA-N 1 0 332.488 3.400 50 0 EGAARO COc1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000019720752 212058315 /nfs/dbraw/zinc/05/83/15/212058315.db2.gz GJZGUNVXRCULQF-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 biogenic EGAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000012459308 211388748 /nfs/dbraw/zinc/38/87/48/211388748.db2.gz LWNBQAGVUMXSAN-CQSZACIVSA-N 1 0 345.418 3.001 50 0 EGAARO C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000012380608 211361423 /nfs/dbraw/zinc/36/14/23/211361423.db2.gz HXZYQGRHTDCPCA-MRXNPFEDSA-N 1 0 338.451 3.331 50 0 EGAARO CCC(CC)C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000012333662 211351530 /nfs/dbraw/zinc/35/15/30/211351530.db2.gz MROKQVNNGFBCGM-UHFFFAOYSA-N 1 0 326.488 3.358 50 0 EGAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2ccncc2)CC1 ZINC000012300193 211336659 /nfs/dbraw/zinc/33/66/59/211336659.db2.gz IFEVOKVNKNGQNO-UHFFFAOYSA-N 1 0 349.434 3.306 50 0 EGAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1CCCc1ccncc1 ZINC000012244740 211329960 /nfs/dbraw/zinc/32/99/60/211329960.db2.gz PSPLEGJOKQEKFJ-HXUWFJFHSA-N 1 0 337.467 3.185 50 0 EGAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccccc2)c1 ZINC000012199563 211319014 /nfs/dbraw/zinc/31/90/14/211319014.db2.gz WTHXEYUXMHJYDG-IBGZPJMESA-N 1 0 338.451 3.366 50 0 EGAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000012029059 211281503 /nfs/dbraw/zinc/28/15/03/211281503.db2.gz KURNSCSWVBSKDM-SFHVURJKSA-N 1 0 341.398 3.147 50 0 EGAARO Cc1c([C@H](C)[NH2+]CCCn2cccn2)cnn1-c1ccc(F)cc1F ZINC000011999039 211278076 /nfs/dbraw/zinc/27/80/76/211278076.db2.gz XVPARSQLOSQQDW-ZDUSSCGKSA-N 1 0 345.397 3.396 50 0 EGAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cc3ccccc3n1C)CC2 ZINC000091462567 218010778 /nfs/dbraw/zinc/01/07/78/218010778.db2.gz DKPBLBVVBLUBSE-UHFFFAOYSA-N 1 0 339.483 3.403 50 0 EGAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccoc3)oc2C)C1 ZINC000011879499 211263120 /nfs/dbraw/zinc/26/31/20/211263120.db2.gz IMVLVMMPEGCUHS-OAHLLOKOSA-N 1 0 345.443 3.323 50 0 EGAARO O=C1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)CN1CC1CC1 ZINC000091594432 218028233 /nfs/dbraw/zinc/02/82/33/218028233.db2.gz RVIJPWWRCYYPBA-UHFFFAOYSA-N 1 0 330.447 3.440 50 0 EGAARO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000091696208 218050467 /nfs/dbraw/zinc/05/04/67/218050467.db2.gz UNWHCTMDYJWQSA-SFHVURJKSA-N 1 0 344.499 3.315 50 0 EGAARO O=C(CC1CCCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091664117 218043255 /nfs/dbraw/zinc/04/32/55/218043255.db2.gz QWLYBJHMOCZXKY-IEBWSBKVSA-N 1 0 327.472 3.085 50 0 EGAARO C[C@@H](CCCC(C)(C)O)[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000011663637 211229353 /nfs/dbraw/zinc/22/93/53/211229353.db2.gz HDTWVKAEECRVTG-ZDUSSCGKSA-N 1 0 345.443 3.225 50 0 EGAARO O[C@]12CC[NH2+]C[C@H]1CN(Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000091907322 218086723 /nfs/dbraw/zinc/08/67/23/218086723.db2.gz MXAYKGZFWJVGHV-RXVVDRJESA-N 1 0 338.451 3.025 50 0 EGAARO Cc1ccccc1[C@]1(CC(=O)NCCC[NH+](C)C)CCOC(C)(C)C1 ZINC000009575681 211104751 /nfs/dbraw/zinc/10/47/51/211104751.db2.gz DGFUXLKLKLFGKM-NRFANRHFSA-N 1 0 346.515 3.280 50 0 EGAARO O=C(CCC[NH+]1CCCCC1)NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000095353575 218286607 /nfs/dbraw/zinc/28/66/07/218286607.db2.gz OJFSRVPBFRBWQZ-UHFFFAOYSA-N 1 0 348.878 3.141 50 0 EGAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062787 211037773 /nfs/dbraw/zinc/03/77/73/211037773.db2.gz AKPJVCDMRATSMY-UHFFFAOYSA-N 1 0 338.451 3.224 50 0 EGAARO Cc1ccc2ncccc2c1CNC(=O)CCC[NH+]1CCCCC1 ZINC000095357612 218290955 /nfs/dbraw/zinc/29/09/55/218290955.db2.gz AVHDVNNFYUBILS-UHFFFAOYSA-N 1 0 325.456 3.426 50 0 EGAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1nc(-c2ccc(F)cc2)cs1 ZINC000095368061 218299902 /nfs/dbraw/zinc/29/99/02/218299902.db2.gz NGKITUSZUNGUGQ-MRXNPFEDSA-N 1 0 347.459 3.440 50 0 EGAARO Cc1ccc2nc(C)c(C)c(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000095367462 218300485 /nfs/dbraw/zinc/30/04/85/218300485.db2.gz JMGUAHBSNIXWFX-QGZVFWFLSA-N 1 0 337.467 3.470 50 0 EGAARO Cc1ccc(OC2CCN(C(=O)CC[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000095370259 218302719 /nfs/dbraw/zinc/30/27/19/218302719.db2.gz LICKRRUXBVRVHJ-GOSISDBHSA-N 1 0 344.499 3.487 50 0 EGAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCc2cc(-c3ccccc3F)no2)C1 ZINC000095370863 218304064 /nfs/dbraw/zinc/30/40/64/218304064.db2.gz VMFIQIOFNVKLTD-AWEZNQCLSA-N 1 0 345.418 3.219 50 0 EGAARO CCc1cccc(OCCCN(C)C(=O)[C@@H]2CCCCC[N@@H+]2C)c1 ZINC000095387517 218318873 /nfs/dbraw/zinc/31/88/73/218318873.db2.gz DJPGOKPKMPQUMM-IBGZPJMESA-N 1 0 332.488 3.351 50 0 EGAARO CC(C)[NH+](C[C@@H](O)COc1ccccc1Br)C(C)C ZINC000004819750 210286353 /nfs/dbraw/zinc/28/63/53/210286353.db2.gz HTMZGPXQMHHDSQ-CYBMUJFWSA-N 1 0 330.266 3.308 50 0 EGAARO C[N@H+](Cc1ccccc1OC1CCCC1)CC1(CO)CCOCC1 ZINC000097436956 219024928 /nfs/dbraw/zinc/02/49/28/219024928.db2.gz XNZQOIAJYPQHOX-UHFFFAOYSA-N 1 0 333.472 3.229 50 0 EGAARO Cc1c[nH+]ccc1N1CCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC000097514996 219032402 /nfs/dbraw/zinc/03/24/02/219032402.db2.gz FOCYNOMDLDYTAQ-UHFFFAOYSA-N 1 0 336.414 3.400 50 0 EGAARO Cc1nn2c(cn[nH]c2=O)c1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000426656915 257959471 /nfs/dbraw/zinc/95/94/71/257959471.db2.gz IAJXSEALKGYFET-CQSZACIVSA-N 1 0 337.427 3.352 50 0 EGAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc(C(F)F)n[nH]1 ZINC000299800767 258104226 /nfs/dbraw/zinc/10/42/26/258104226.db2.gz YHUPTWVXHYJDCE-INIZCTEOSA-N 1 0 348.397 3.304 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cc(C4CCCCC4)no3)[C@H]1C[C@H](O)CC2 ZINC000299803124 258105875 /nfs/dbraw/zinc/10/58/75/258105875.db2.gz XLPHFZOZGDJZLS-AYOQOUSVSA-N 1 0 334.460 3.227 50 0 EGAARO Cc1cc(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)on1 ZINC000299755949 258074160 /nfs/dbraw/zinc/07/41/60/258074160.db2.gz ASAALQOMHCXQRJ-IBGZPJMESA-N 1 0 341.455 3.259 50 0 EGAARO Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1OCCC[NH3+] ZINC000299757173 258075358 /nfs/dbraw/zinc/07/53/58/258075358.db2.gz NLBCFZGGIHTAIO-CYBMUJFWSA-N 1 0 348.393 3.492 50 0 EGAARO COc1ccccc1-c1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299766207 258080794 /nfs/dbraw/zinc/08/07/94/258080794.db2.gz DANYTYPZGPCAAL-MAUKXSAKSA-N 1 0 337.423 3.188 50 0 EGAARO COc1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000000526709 286246136 /nfs/dbraw/zinc/24/61/36/286246136.db2.gz YPOUKKHERCNHSK-SFHVURJKSA-N 1 0 338.407 3.429 50 0 biogenic EGAARO Cc1ccc(OCc2occc2C(=O)N2CCCC[C@@H]([NH3+])C2)cc1 ZINC000082107386 274755835 /nfs/dbraw/zinc/75/58/35/274755835.db2.gz IJTKOSRQPBUYFP-OAHLLOKOSA-N 1 0 328.412 3.120 50 0 EGAARO O=C1C[C@@H]([NH+]2C[C@H]3CCCC[C@@H]3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000015084267 275019753 /nfs/dbraw/zinc/01/97/53/275019753.db2.gz RBRRWYQEVKKWPO-XJKCOSOUSA-N 1 0 332.831 3.094 50 0 EGAARO Cn1c(CN2CCCCCC2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000096153411 294152935 /nfs/dbraw/zinc/15/29/35/294152935.db2.gz JLWPKSQWCXHWDJ-UHFFFAOYSA-N 1 0 345.535 3.313 50 0 EGAARO COc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccccc2)cc1 ZINC000013301150 295156101 /nfs/dbraw/zinc/15/61/01/295156101.db2.gz SHRWABYQRRBDDV-OAQYLSRUSA-N 1 0 337.443 3.346 50 0 EGAARO CCn1ccc(CN2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1 ZINC000244852784 455277024 /nfs/dbraw/zinc/27/70/24/455277024.db2.gz UYTHCLBRXLXSQD-UHFFFAOYSA-N 1 0 327.407 3.298 50 0 EGAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000000317555 452564977 /nfs/dbraw/zinc/56/49/77/452564977.db2.gz QKOCSTMKPTXHRH-INIZCTEOSA-N 1 0 330.472 3.166 50 0 EGAARO O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000000448361 452595290 /nfs/dbraw/zinc/59/52/90/452595290.db2.gz XFPRVFPKQLFJBJ-LJQANCHMSA-N 1 0 331.843 3.276 50 0 EGAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 ZINC000000819328 452637666 /nfs/dbraw/zinc/63/76/66/452637666.db2.gz PBMRTNGATVHZGI-MRXNPFEDSA-N 1 0 330.472 3.166 50 0 EGAARO CC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000000978083 452638885 /nfs/dbraw/zinc/63/88/85/452638885.db2.gz BYIGBTSEDRHFEO-QUCCMNQESA-N 1 0 345.389 3.377 50 0 EGAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1)CC3 ZINC000002316255 452692562 /nfs/dbraw/zinc/69/25/62/452692562.db2.gz LEZNGZQEMXODLX-HOTGVXAUSA-N 1 0 339.483 3.339 50 0 EGAARO CCOc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccccc3)C2)cc1 ZINC000002966378 452735467 /nfs/dbraw/zinc/73/54/67/452735467.db2.gz JZLJCANMYKHPGH-NRFANRHFSA-N 1 0 337.443 3.346 50 0 EGAARO Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000005704739 452897510 /nfs/dbraw/zinc/89/75/10/452897510.db2.gz XTAPEXJSXXXHNG-SFHVURJKSA-N 1 0 342.439 3.229 50 0 EGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000006703223 452974383 /nfs/dbraw/zinc/97/43/83/452974383.db2.gz ODZMSERAZVSQKF-AWEZNQCLSA-N 1 0 325.836 3.384 50 0 EGAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ncoc1C1CC1 ZINC000012592747 453378968 /nfs/dbraw/zinc/37/89/68/453378968.db2.gz FXEVQILYTJMHGN-OAHLLOKOSA-N 1 0 331.460 3.469 50 0 EGAARO C[NH2+]C[C@H](Cc1ccc(Br)cc1)C(=O)OC(C)(C)C ZINC000012648205 453388420 /nfs/dbraw/zinc/38/84/20/453388420.db2.gz QMXXNQXCZIZHSH-LBPRGKRZSA-N 1 0 328.250 3.169 50 0 EGAARO COC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012761589 453400490 /nfs/dbraw/zinc/40/04/90/453400490.db2.gz WZPHZDSSMPKPNE-LLVKDONJSA-N 1 0 341.333 3.224 50 0 EGAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000013326175 453458345 /nfs/dbraw/zinc/45/83/45/453458345.db2.gz WQYIGOSMSFARCY-NSHDSACASA-N 1 0 345.270 3.361 50 0 EGAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1oc2cc(C)ccc2c1C ZINC000013693242 453481934 /nfs/dbraw/zinc/48/19/34/453481934.db2.gz YMSQZYFTYMYIMW-UHFFFAOYSA-N 1 0 342.439 3.334 50 0 EGAARO O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1ccc(F)cc1 ZINC000013779223 453487492 /nfs/dbraw/zinc/48/74/92/453487492.db2.gz SFAAONHZGCLSPF-UHFFFAOYSA-O 1 0 336.390 3.167 50 0 EGAARO O=C(NCC[NH2+]Cc1ccccc1C(F)(F)F)c1ccccc1F ZINC000013839451 453491814 /nfs/dbraw/zinc/49/18/14/453491814.db2.gz BWJYUEQVBMNJAF-UHFFFAOYSA-N 1 0 340.320 3.364 50 0 EGAARO CC(C)[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000014532887 453538353 /nfs/dbraw/zinc/53/83/53/453538353.db2.gz UFGSMJMSXNGYRZ-MRXNPFEDSA-N 1 0 346.519 3.021 50 0 EGAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)CC1 ZINC000015063427 453553062 /nfs/dbraw/zinc/55/30/62/453553062.db2.gz GHEJXCSFUQMTEB-QGZVFWFLSA-N 1 0 349.450 3.323 50 0 EGAARO O[C@@H](CSc1ccccc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020385123 453665122 /nfs/dbraw/zinc/66/51/22/453665122.db2.gz OAMZNNUOXDBVND-GOSISDBHSA-N 1 0 346.471 3.101 50 0 EGAARO OCC[C@@H]1CN(Cc2cccc3cccnc32)CC[N@@H+]1C1CCCC1 ZINC000020781287 453668887 /nfs/dbraw/zinc/66/88/87/453668887.db2.gz NEJUDYLXKUIGSJ-HXUWFJFHSA-N 1 0 339.483 3.046 50 0 EGAARO Cn1cc([C@H](CNC(=O)/C=C/c2ccco2)[NH+](C)C)c2ccccc21 ZINC000075149142 453867263 /nfs/dbraw/zinc/86/72/63/453867263.db2.gz WQCXLBVTCIGJFV-VYENPZKTSA-N 1 0 337.423 3.204 50 0 EGAARO Cn1cc(Cl)c(CNc2ccccc2OC2CC[NH+](C)CC2)n1 ZINC000032550954 453877726 /nfs/dbraw/zinc/87/77/26/453877726.db2.gz FNLDGXMFYMNMGV-UHFFFAOYSA-N 1 0 334.851 3.159 50 0 EGAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)C1 ZINC000082137720 453925959 /nfs/dbraw/zinc/92/59/59/453925959.db2.gz RRLQXNVAUULLQV-HIFRSBDPSA-N 1 0 336.863 3.227 50 0 EGAARO FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]Cc3ccoc3)C2)nc1 ZINC000067871586 453975226 /nfs/dbraw/zinc/97/52/26/453975226.db2.gz ZSEWIKJBIROEFT-AWEZNQCLSA-N 1 0 325.334 3.452 50 0 EGAARO c1csc(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 ZINC000043041366 454037663 /nfs/dbraw/zinc/03/76/63/454037663.db2.gz WOLUYZVDTSLMEE-UHFFFAOYSA-N 1 0 339.420 3.425 50 0 EGAARO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077286975 454085562 /nfs/dbraw/zinc/08/55/62/454085562.db2.gz YJCWJDDUVSUELX-LEWJYISDSA-N 1 0 334.463 3.489 50 0 EGAARO CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)nc1 ZINC000077339916 454093781 /nfs/dbraw/zinc/09/37/81/454093781.db2.gz UBLZMOTVGVFWRV-HXUWFJFHSA-N 1 0 327.472 3.011 50 0 EGAARO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccco2)no1 ZINC000077408459 454102745 /nfs/dbraw/zinc/10/27/45/454102745.db2.gz AEBJMUIKYHZSOT-CQSZACIVSA-N 1 0 341.415 3.050 50 0 EGAARO Cc1nccc(N2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)n1 ZINC000077455936 454107703 /nfs/dbraw/zinc/10/77/03/454107703.db2.gz RUWMFTKSOODPBP-IBGZPJMESA-N 1 0 330.476 3.040 50 0 EGAARO O=C(C[C@H]1CCc2ccccc21)N1CCCN(Cc2ccncc2)CC1 ZINC000077452386 454107766 /nfs/dbraw/zinc/10/77/66/454107766.db2.gz LZJDPPVOPUBENK-HXUWFJFHSA-N 1 0 349.478 3.236 50 0 EGAARO CCn1ccc2ccc(CN3CCC[C@@](O)(C[NH+]4CCCC4)C3)cc21 ZINC000077487765 454112199 /nfs/dbraw/zinc/11/21/99/454112199.db2.gz JOHZPSIVVVXPSR-OAQYLSRUSA-N 1 0 341.499 3.084 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc3ccccc3n2)CC1 ZINC000077504951 454115138 /nfs/dbraw/zinc/11/51/38/454115138.db2.gz ZTOCWZSROZCPMK-UHFFFAOYSA-N 1 0 346.434 3.291 50 0 EGAARO COCc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000069521323 454115967 /nfs/dbraw/zinc/11/59/67/454115967.db2.gz FKQDVELDWWKJFY-SFHVURJKSA-N 1 0 342.439 3.301 50 0 EGAARO COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2C)cc1 ZINC000077564300 454123881 /nfs/dbraw/zinc/12/38/81/454123881.db2.gz HTBMGOKWGLPRQG-LJQANCHMSA-N 1 0 341.455 3.423 50 0 EGAARO CSc1ccc(-c2noc(CN3CC[NH+](CC(C)C)CC3)n2)cc1 ZINC000057427695 454128153 /nfs/dbraw/zinc/12/81/53/454128153.db2.gz WBEUTIDNYJOYAP-UHFFFAOYSA-N 1 0 346.500 3.232 50 0 EGAARO Cc1cn2c(C[NH2+]Cc3ccc(OCC4CC4)nc3)c(C)nc2s1 ZINC000095393454 454201650 /nfs/dbraw/zinc/20/16/50/454201650.db2.gz BATHDUAVBNKESO-UHFFFAOYSA-N 1 0 342.468 3.486 50 0 EGAARO COCCC[N@@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000071315199 454204990 /nfs/dbraw/zinc/20/49/90/454204990.db2.gz KKAGYJFOJRHNAB-UHFFFAOYSA-N 1 0 348.830 3.339 50 0 EGAARO CC[C@H]1C[N@H+](Cc2ccc(O)cc2)CCC(=O)N1Cc1ccccc1 ZINC000071681673 454210351 /nfs/dbraw/zinc/21/03/51/454210351.db2.gz AKTAUOMKHYGYSI-IBGZPJMESA-N 1 0 338.451 3.405 50 0 EGAARO Cc1ccc(-c2cc(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)on2)cc1 ZINC000071714975 454211160 /nfs/dbraw/zinc/21/11/60/454211160.db2.gz SFTASEBMLWGNDR-KRWDZBQOSA-N 1 0 339.439 3.237 50 0 EGAARO COc1ccc2[nH]c(C[NH+]3CCC(N4CCCC4=O)CC3)c(C)c2c1 ZINC000071749268 454213316 /nfs/dbraw/zinc/21/33/16/454213316.db2.gz DNXQYVFMGBRTLC-UHFFFAOYSA-N 1 0 341.455 3.072 50 0 EGAARO FC(F)(F)CCc1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000071753274 454214674 /nfs/dbraw/zinc/21/46/74/454214674.db2.gz YUCSNNUMCVLXLT-HNNXBMFYSA-N 1 0 336.361 3.122 50 0 EGAARO COc1cccc(C[C@H]2CN(C3CC(C)(C)[NH2+]C(C)(C)C3)CCO2)c1 ZINC000071767813 454217331 /nfs/dbraw/zinc/21/73/31/454217331.db2.gz GQEFAUNQZGEXTQ-IBGZPJMESA-N 1 0 346.515 3.248 50 0 EGAARO FC(F)(F)CCc1ccnc(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000071775782 454218009 /nfs/dbraw/zinc/21/80/09/454218009.db2.gz UIYVXMBUBVOCKP-UHFFFAOYSA-N 1 0 342.409 3.426 50 0 EGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1ccncc1)CC2 ZINC000095502321 454222353 /nfs/dbraw/zinc/22/23/53/454222353.db2.gz PCYGQTPXNXHUCW-FQEVSTJZSA-N 1 0 349.478 3.105 50 0 EGAARO c1ccc(C[NH+]2CCC(Cc3nc([C@@H]4CCOC4)no3)CC2)cc1 ZINC000096139694 454291810 /nfs/dbraw/zinc/29/18/10/454291810.db2.gz WYGKEUOUNADHAA-QGZVFWFLSA-N 1 0 327.428 3.028 50 0 EGAARO CCn1nc(CC2CC[NH+](C)CC2)nc1Cc1csc(C(C)=O)c1 ZINC000096164177 454296575 /nfs/dbraw/zinc/29/65/75/454296575.db2.gz HRHHBGMYZNAEBD-UHFFFAOYSA-N 1 0 346.500 3.037 50 0 EGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cnc(-c2ccccc2)s1 ZINC000097076272 454399405 /nfs/dbraw/zinc/39/94/05/454399405.db2.gz HDAZYEPVUITEIR-INIZCTEOSA-N 1 0 329.469 3.301 50 0 EGAARO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nc4ccccc4n3C)C2)nc1 ZINC000097200536 454422715 /nfs/dbraw/zinc/42/27/15/454422715.db2.gz SWFNFRWATQZJEN-MRXNPFEDSA-N 1 0 335.455 3.211 50 0 EGAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)ccc1F ZINC000097213116 454424897 /nfs/dbraw/zinc/42/48/97/454424897.db2.gz UPXZHGRYVMVADO-CQSZACIVSA-N 1 0 332.341 3.335 50 0 EGAARO CCCN1c2ccccc2NC2(CC[NH+](Cc3ccoc3)CC2)C1=O ZINC000063835461 454453375 /nfs/dbraw/zinc/45/33/75/454453375.db2.gz DBCNLOJNCFOAAB-UHFFFAOYSA-N 1 0 339.439 3.483 50 0 EGAARO OCCC[NH2+]C1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000063856437 454455936 /nfs/dbraw/zinc/45/59/36/454455936.db2.gz PCNQUZLRRMJGBS-UHFFFAOYSA-N 1 0 328.431 3.434 50 0 EGAARO CC[C@H](c1ccccn1)n1cc(-c2cc(C[NH+](C)C)cs2)nn1 ZINC000092081851 454518608 /nfs/dbraw/zinc/51/86/08/454518608.db2.gz QPPCEJNANPXKQC-MRXNPFEDSA-N 1 0 327.457 3.463 50 0 EGAARO Cc1ccc(NC(=O)c2cccc(C[N@@H+](C)CC3(C)COC3)c2)cn1 ZINC000065374523 454556046 /nfs/dbraw/zinc/55/60/46/454556046.db2.gz PAECNRRNKYRCBI-UHFFFAOYSA-N 1 0 339.439 3.111 50 0 EGAARO C/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2c1cnn2C1CC[NH+](C)CC1 ZINC000065396091 454559389 /nfs/dbraw/zinc/55/93/89/454559389.db2.gz RGORYXJKESTWOQ-ISBHARSQSA-N 1 0 340.427 3.272 50 0 EGAARO Cc1ccc(-n2nc(C(C)C)nc2CN2CCC[N@H+](C)CC2)c(C)c1 ZINC000065456326 454570158 /nfs/dbraw/zinc/57/01/58/454570158.db2.gz AFCXICJJDOMOFZ-UHFFFAOYSA-N 1 0 341.503 3.145 50 0 EGAARO O=C(NC1CC[NH+](Cc2cccnc2)CC1)c1ccc(Cl)cc1F ZINC000172244228 455138831 /nfs/dbraw/zinc/13/88/31/455138831.db2.gz GXRIULWTSVSUJL-UHFFFAOYSA-N 1 0 347.821 3.269 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000264447565 455215383 /nfs/dbraw/zinc/21/53/83/455215383.db2.gz UWJVDXJOQGYYSC-LJQANCHMSA-N 1 0 338.451 3.432 50 0 EGAARO Clc1ccc(-c2ncc(CN3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000252587410 455822604 /nfs/dbraw/zinc/82/26/04/455822604.db2.gz YBMBRIKQVFITQK-KRWDZBQOSA-N 1 0 328.847 3.077 50 0 EGAARO CC(=O)c1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000222258819 456046202 /nfs/dbraw/zinc/04/62/02/456046202.db2.gz SFTGWZFXKBERJZ-MRXNPFEDSA-N 1 0 328.456 3.274 50 0 EGAARO Cc1cccc(Cl)c1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000222634917 456048611 /nfs/dbraw/zinc/04/86/11/456048611.db2.gz QBCXAWSAHJPJRC-OAHLLOKOSA-N 1 0 336.863 3.022 50 0 EGAARO COc1ccccc1CCC(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000222721521 456049133 /nfs/dbraw/zinc/04/91/33/456049133.db2.gz WJSHAHQFVOREBN-INIZCTEOSA-N 1 0 330.472 3.009 50 0 EGAARO CC(C)Oc1ccccc1CCNc1cc(C2CC([NH3+])C2)ncn1 ZINC000223118099 456053537 /nfs/dbraw/zinc/05/35/37/456053537.db2.gz OCQHKXCIRCPVSW-UHFFFAOYSA-N 1 0 326.444 3.123 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263588845 456178289 /nfs/dbraw/zinc/17/82/89/456178289.db2.gz ZEHYKHOEBGWMCH-IAGOWNOFSA-N 1 0 331.485 3.130 50 0 EGAARO O=C(CCCCCn1cccc1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409413565 457598320 /nfs/dbraw/zinc/59/83/20/457598320.db2.gz CGAZUJDSSGTXTC-RBUKOAKNSA-N 1 0 331.504 3.429 50 0 biogenic EGAARO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000409414779 457598392 /nfs/dbraw/zinc/59/83/92/457598392.db2.gz WSQRWASIDFADHL-MAUKXSAKSA-N 1 0 331.460 3.423 50 0 biogenic EGAARO CCc1ccc(C(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)[nH]1 ZINC000426409140 457824869 /nfs/dbraw/zinc/82/48/69/457824869.db2.gz AZPKFXPNPSJDEK-SFHVURJKSA-N 1 0 329.419 3.283 50 0 EGAARO Cc1cc(C)nc(CN(C)C(=O)NCCC[N@H+](C)C2CCCC2)c1 ZINC000426435363 457830005 /nfs/dbraw/zinc/83/00/05/457830005.db2.gz JDMTTXQBHPRTES-UHFFFAOYSA-N 1 0 332.492 3.104 50 0 EGAARO CN(Cc1cccs1)C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000426521479 457847694 /nfs/dbraw/zinc/84/76/94/457847694.db2.gz QVRXITDYGOKBKI-KRWDZBQOSA-N 1 0 343.496 3.379 50 0 EGAARO CCn1cc(CN(C)CC(=O)Nc2nc(C(C)(C)C)cs2)c(C)n1 ZINC000426555365 457854158 /nfs/dbraw/zinc/85/41/58/457854158.db2.gz CGXBFHVOYMVDOE-UHFFFAOYSA-N 1 0 349.504 3.036 50 0 EGAARO CCOc1ccc(Cl)cc1CN(C)C(=O)NCC(C)(C)[NH+](C)C ZINC000534640178 459340420 /nfs/dbraw/zinc/34/04/20/459340420.db2.gz SPXIYUFYAJSPNK-UHFFFAOYSA-N 1 0 341.883 3.220 50 0 EGAARO Cc1nc(-c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2)ccc1Cl ZINC000584895307 459819798 /nfs/dbraw/zinc/81/97/98/459819798.db2.gz CFSHCPLCCLXQEU-UHFFFAOYSA-N 1 0 343.858 3.440 50 0 EGAARO O=C(NCCCc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000585150080 459831719 /nfs/dbraw/zinc/83/17/19/459831719.db2.gz YZXREHPTPYSABD-GOSISDBHSA-N 1 0 343.496 3.254 50 0 EGAARO CCOc1c(Cl)cc(C[NH2+]CCCN2CCOCC2)cc1Cl ZINC000004820306 520597815 /nfs/dbraw/zinc/59/78/15/520597815.db2.gz HORIAQLQKFBEIE-UHFFFAOYSA-N 1 0 347.286 3.204 50 0 EGAARO COc1ccc2cc([C@@H](C)NC(=O)CC3CC[NH2+]CC3)ccc2c1 ZINC000215663718 537038882 /nfs/dbraw/zinc/03/88/82/537038882.db2.gz HDDWLSUEGUALHP-CQSZACIVSA-N 1 0 326.440 3.415 50 0 EGAARO O[C@@]1(c2ccccc2)CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000670445960 548217102 /nfs/dbraw/zinc/21/71/02/548217102.db2.gz CQCOIMLVGBOPAC-QFIPXVFZSA-N 1 0 336.479 3.245 50 0 EGAARO Cc1cccc(Cl)c1S(=O)(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000670450077 548217314 /nfs/dbraw/zinc/21/73/14/548217314.db2.gz CHGJBVYBHXRJIA-HNNXBMFYSA-N 1 0 344.908 3.047 50 0 EGAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cnc2c(c1)CCCC2 ZINC000670455896 548218391 /nfs/dbraw/zinc/21/83/91/548218391.db2.gz UWXQEBUBVGJKBU-INIZCTEOSA-N 1 0 349.478 3.137 50 0 EGAARO OC[C@H]1CCC[N@@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000020600480 1291194439 /nfs/dbraw/zinc/19/44/39/1291194439.db2.gz XBBOCASXRIVUDZ-INIZCTEOSA-N 1 0 328.456 3.102 50 0 EGAARO Cc1ncsc1CCCNC(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020995458 1291195737 /nfs/dbraw/zinc/19/57/37/1291195737.db2.gz AIJJNMJTQPEUMT-LBPRGKRZSA-N 1 0 335.498 3.300 50 0 EGAARO CC[N@@H+]1CCC[C@@H](c2nccn2Cc2cc(-c3ccccn3)no2)C1 ZINC000072127388 1292275049 /nfs/dbraw/zinc/27/50/49/1292275049.db2.gz XPTQVGCDHOTPDO-OAHLLOKOSA-N 1 0 337.427 3.181 50 0 EGAARO CCCn1c(C)nc2cc(NC(=O)[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000823024290 1320147429 /nfs/dbraw/zinc/14/74/29/1320147429.db2.gz RNRUFHPATWYMCY-OAHLLOKOSA-N 1 0 326.444 3.083 50 0 EGAARO CC(C)C1=NO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)C1 ZINC000952869257 1334583951 /nfs/dbraw/zinc/58/39/51/1334583951.db2.gz ZBJXQASHMFFLRS-GOSISDBHSA-N 1 0 329.444 3.412 50 0 EGAARO CSCC[C@H]([NH3+])c1nc(-c2ccco2)nn1Cc1ccccc1 ZINC000952871762 1334584030 /nfs/dbraw/zinc/58/40/30/1334584030.db2.gz AJCVAPSZUKRMKM-AWEZNQCLSA-N 1 0 328.441 3.339 50 0 EGAARO CCCOc1ccc(NC(=O)[C@@H]2CC[N@H+](CCOC)C2)cc1Cl ZINC000952872906 1334584496 /nfs/dbraw/zinc/58/44/96/1334584496.db2.gz RKDGXQYZUSKSJX-CYBMUJFWSA-N 1 0 340.851 3.036 50 0 EGAARO CCOc1ccc2ccccc2c1C[NH2+]CCN1CCC[C@H](CO)C1 ZINC000952964131 1334625611 /nfs/dbraw/zinc/62/56/11/1334625611.db2.gz MJKUXCPNRRJHJQ-KRWDZBQOSA-N 1 0 342.483 3.032 50 0 EGAARO COc1ccc(C[NH2+][C@@H](C)CN2CCc3ccccc3C2)cc1F ZINC000952975688 1334628665 /nfs/dbraw/zinc/62/86/65/1334628665.db2.gz LNPHYKPXSPGNHF-HNNXBMFYSA-N 1 0 328.431 3.371 50 0 EGAARO CC[C@@H]1C=CC[N@@H+]1Cc1cccc(OC)c1OCCn1ccnc1 ZINC000952992219 1334632270 /nfs/dbraw/zinc/63/22/70/1334632270.db2.gz YPDRQNQLAKIXFP-QGZVFWFLSA-N 1 0 327.428 3.121 50 0 EGAARO O[C@@H]1C[N@H+](Cc2cc(C3CCCCC3)no2)C[C@H]1Cc1ccncc1 ZINC001704339098 1416449092 /nfs/dbraw/zinc/44/90/92/1416449092.db2.gz NXEKSLLVOICQTF-YLJYHZDGSA-N 1 0 341.455 3.153 50 0 EGAARO C[NH+](C)CC1(CO)CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001772711744 1441417289 /nfs/dbraw/zinc/41/72/89/1441417289.db2.gz JTZZCHYSMUAZGL-UHFFFAOYSA-N 1 0 331.287 3.130 50 0 EGAARO O=C(c1sccc1Cl)N1CCC[N@@H+]([C@@H]2CCSC2)CC1 ZINC001772804264 1441417373 /nfs/dbraw/zinc/41/73/73/1441417373.db2.gz KRHAVFJAVDZYFP-LLVKDONJSA-N 1 0 330.906 3.055 50 0 EGAARO COc1c(C)cnc(C[NH+]2CCC(c3cc[nH]c(=O)c3)CC2)c1C ZINC001772804649 1441417428 /nfs/dbraw/zinc/41/74/28/1441417428.db2.gz CIGWXCGTNWRXPX-UHFFFAOYSA-N 1 0 327.428 3.187 50 0 EGAARO Cc1ccc(C)c(N2CC[NH+](C[C@H]3CCC(=O)N(C(C)C)C3)CC2)c1 ZINC001772810947 1441417496 /nfs/dbraw/zinc/41/74/96/1441417496.db2.gz PXKLYEYTPLZNDZ-LJQANCHMSA-N 1 0 343.515 3.072 50 0 EGAARO C[C@H](COc1ccccc1)[NH+]1CCC(c2ccn(C)c(=O)c2)CC1 ZINC001772816047 1441417746 /nfs/dbraw/zinc/41/77/46/1441417746.db2.gz FLLLAXDYMOKLNA-MRXNPFEDSA-N 1 0 326.440 3.032 50 0 EGAARO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH2+]C1CCCCC1 ZINC000004743932 210267038 /nfs/dbraw/zinc/26/70/38/210267038.db2.gz IILBUJAVAXRVDV-UHFFFAOYSA-N 1 0 338.473 3.402 50 0 EGAARO CN(Cc1cnc(N2CCCC2)s1)Cc1cccc(C[NH+](C)C)c1 ZINC000097698948 219049705 /nfs/dbraw/zinc/04/97/05/219049705.db2.gz CPFHDUQCCLMWND-UHFFFAOYSA-N 1 0 344.528 3.437 50 0 EGAARO Cc1nn(C)c(Cl)c1CN(CC[NH+](C)C)Cc1ccsc1 ZINC000055360250 214311986 /nfs/dbraw/zinc/31/19/86/214311986.db2.gz HRYUYDGFUIYWRT-UHFFFAOYSA-N 1 0 326.897 3.007 50 0 EGAARO CC[NH+](CC)CCNC(=O)c1csc(Nc2ccccc2C)n1 ZINC000004687876 210247522 /nfs/dbraw/zinc/24/75/22/210247522.db2.gz OLMOULNTAVAFGG-UHFFFAOYSA-N 1 0 332.473 3.267 50 0 EGAARO COc1ccccc1CC1(CNC(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC000098213783 219088552 /nfs/dbraw/zinc/08/85/52/219088552.db2.gz GBNMXKQEBDZCES-UHFFFAOYSA-N 1 0 334.460 3.132 50 0 EGAARO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccccc2-n2cccn2)CC1 ZINC000065498915 214934024 /nfs/dbraw/zinc/93/40/24/214934024.db2.gz QVZVHKBKRJZBSM-OAHLLOKOSA-N 1 0 342.443 3.144 50 0 EGAARO NC(=[NH2+])Sc1cn(CCNC(=O)c2ccccc2)c2ccccc12 ZINC000003866093 210080741 /nfs/dbraw/zinc/08/07/41/210080741.db2.gz UZJJUCIQLBLPAK-UHFFFAOYSA-N 1 0 338.436 3.057 50 0 EGAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000102582891 219211871 /nfs/dbraw/zinc/21/18/71/219211871.db2.gz BJYPKDOEXRPQSC-AERCQKQUSA-N 1 0 346.474 3.061 50 0 EGAARO COc1ccc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1CO ZINC000067587559 215164113 /nfs/dbraw/zinc/16/41/13/215164113.db2.gz BQPJYHCZEKLYTO-HNNXBMFYSA-N 1 0 327.424 3.248 50 0 EGAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cccc(Cn4cccn4)c3)C2)n1 ZINC000067649795 215173891 /nfs/dbraw/zinc/17/38/91/215173891.db2.gz OOIHLIRAIHUSFN-HXUWFJFHSA-N 1 0 335.455 3.192 50 0 EGAARO C[NH+]1CCC(Cc2noc(-c3cc(-n4cccc4)ccc3O)n2)CC1 ZINC000067726224 215196266 /nfs/dbraw/zinc/19/62/66/215196266.db2.gz KZKPWNDBLOGHDI-UHFFFAOYSA-N 1 0 338.411 3.117 50 0 EGAARO COCc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](CC(C)C)C2)ccc1OC ZINC000067740377 215198529 /nfs/dbraw/zinc/19/85/29/215198529.db2.gz ICEPHFDDBOBAGZ-AZUAARDMSA-N 1 0 335.488 3.461 50 0 EGAARO COc1ccc([C@@]2(O)C[N+](c3cccc(C)c3)=C3CCCCN32)cc1 ZINC000002966463 209948397 /nfs/dbraw/zinc/94/83/97/209948397.db2.gz LRNZGUXYHRTPEL-NRFANRHFSA-N 1 0 337.443 3.264 50 0 EGAARO C[N@H+](Cc1ccc2nsnc2c1)Cc1cc2ccccc2[nH]c1=O ZINC000067756766 215204871 /nfs/dbraw/zinc/20/48/71/215204871.db2.gz PUWHYGSIIKVQGE-UHFFFAOYSA-N 1 0 336.420 3.165 50 0 EGAARO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000067774535 215208638 /nfs/dbraw/zinc/20/86/38/215208638.db2.gz OHJVWKBRNZNJIP-UHFFFAOYSA-N 1 0 345.340 3.452 50 0 EGAARO COc1ccc(-c2nc(CN3CC[NH2+]C[C@H]3C)c(C)o2)c(C)c1C ZINC000067847138 215228543 /nfs/dbraw/zinc/22/85/43/215228543.db2.gz RAJCYFLMJIWLEE-GFCCVEGCSA-N 1 0 329.444 3.069 50 0 EGAARO CCCC12CN3CC(CCC)(C[NH+](C1)C3[C@@H]1CCOC(C)(C)C1)C2=O ZINC000019331480 282629904 /nfs/dbraw/zinc/62/99/04/282629904.db2.gz JOTLSSQKPDYBOD-GHNZTPCLSA-N 1 0 348.531 3.305 50 0 biogenic EGAARO Cc1ccccc1-c1cn2c(C(=O)N[C@H](C)C[NH+](C)C)csc2n1 ZINC000067895187 215243941 /nfs/dbraw/zinc/24/39/41/215243941.db2.gz JUDLPTITMDQOLU-CYBMUJFWSA-N 1 0 342.468 3.051 50 0 EGAARO CNC(=O)CC1CC[NH+](Cc2cccn2-c2ccccc2C)CC1 ZINC000067934586 215253471 /nfs/dbraw/zinc/25/34/71/215253471.db2.gz FCMGKVTYWGFOKM-UHFFFAOYSA-N 1 0 325.456 3.134 50 0 EGAARO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000069347953 215381534 /nfs/dbraw/zinc/38/15/34/215381534.db2.gz UKCKKXRUHBCARY-JYJNAYRXSA-N 1 0 328.412 3.238 50 0 EGAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)cc1 ZINC000035268966 213016605 /nfs/dbraw/zinc/01/66/05/213016605.db2.gz KZMIFJXZFDHKGN-OAHLLOKOSA-N 1 0 325.412 3.376 50 0 EGAARO CCc1nnc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)o1 ZINC000072131785 216020091 /nfs/dbraw/zinc/02/00/91/216020091.db2.gz GVHOKSDCFYCVIP-ABSDTBQOSA-N 1 0 341.455 3.284 50 0 EGAARO CCn1nc(C)c(C[N@@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)c1C ZINC000072125654 216016308 /nfs/dbraw/zinc/01/63/08/216016308.db2.gz ZWCVZXGTIFABJQ-FQEVSTJZSA-N 1 0 338.455 3.006 50 0 EGAARO Fc1cccc(CN2CC[NH+](Cc3cccc4nccnc34)CC2)c1 ZINC000072126473 216017895 /nfs/dbraw/zinc/01/78/95/216017895.db2.gz VHYVMSASPWFXFB-UHFFFAOYSA-N 1 0 336.414 3.087 50 0 EGAARO CN1C[C@]2(CCC[N@H+](CCCCOCc3ccccc3)CC2)OC1=O ZINC000072140285 216026097 /nfs/dbraw/zinc/02/60/97/216026097.db2.gz OYASFUUPMCACEC-HXUWFJFHSA-N 1 0 346.471 3.290 50 0 EGAARO c1ccc(CO[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000072142994 216029092 /nfs/dbraw/zinc/02/90/92/216029092.db2.gz GITKBMAPRDSQAZ-SFHVURJKSA-N 1 0 340.423 3.034 50 0 EGAARO CSc1cccc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000072150779 216039632 /nfs/dbraw/zinc/03/96/32/216039632.db2.gz JIQVSACUNBPJFI-HNNXBMFYSA-N 1 0 329.469 3.180 50 0 EGAARO c1cn(-c2ccc(C[NH+]3CCC(OCc4cccnc4)CC3)cc2)cn1 ZINC000072156553 216045089 /nfs/dbraw/zinc/04/50/89/216045089.db2.gz PCTJNSAODBDLIT-UHFFFAOYSA-N 1 0 348.450 3.449 50 0 EGAARO C[C@H]1Cc2cc(C[N@@H+]3CCCN(Cc4ccncc4)CC3)ccc2O1 ZINC000072163538 216052080 /nfs/dbraw/zinc/05/20/80/216052080.db2.gz YWSFRDLXHLUIFZ-KRWDZBQOSA-N 1 0 337.467 3.113 50 0 EGAARO COCCNc1cc(-c2cccc3c(N)cc[nH+]c32)c2cc[nH]c2n1 ZINC000072168338 216058816 /nfs/dbraw/zinc/05/88/16/216058816.db2.gz AHVPFDDCGJFPNK-UHFFFAOYSA-N 1 0 333.395 3.419 50 0 EGAARO Cc1cc(COc2ccccc2)oc1C(=O)N[C@H]1CC[C@H]1[NH2+]C(C)C ZINC000072411236 216203421 /nfs/dbraw/zinc/20/34/21/216203421.db2.gz AEBIASUWBKKFEM-MSOLQXFVSA-N 1 0 342.439 3.426 50 0 EGAARO O=C1CC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]2N1CCc1cccs1 ZINC000072411192 216203731 /nfs/dbraw/zinc/20/37/31/216203731.db2.gz JFXIXRFDUAKGTD-FUHWJXTLSA-N 1 0 344.480 3.397 50 0 EGAARO Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000000079781 209405826 /nfs/dbraw/zinc/40/58/26/209405826.db2.gz ZRXHLYSBUBETEN-UHFFFAOYSA-N 1 0 338.517 3.199 50 0 EGAARO Cc1cc2nc(C)cc(NC[C@H]3CCC[N@H+](Cc4ccco4)C3)n2n1 ZINC000072432077 216224608 /nfs/dbraw/zinc/22/46/08/216224608.db2.gz PEGWQQXXZJENAX-MRXNPFEDSA-N 1 0 339.443 3.263 50 0 EGAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)ccc1O ZINC000072462874 216244848 /nfs/dbraw/zinc/24/48/48/216244848.db2.gz GCZWCHNFQGSANV-SFHVURJKSA-N 1 0 339.435 3.425 50 0 EGAARO CCn1cc(C[N@@H+]2CCCC23CCN(c2cccc(C)n2)CC3)cn1 ZINC000072463433 216245090 /nfs/dbraw/zinc/24/50/90/216245090.db2.gz YCQVYJNDVQRWOZ-UHFFFAOYSA-N 1 0 339.487 3.241 50 0 EGAARO O=C1CC[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]2N1CCC1=CCCCC1 ZINC000072480904 216259691 /nfs/dbraw/zinc/25/96/91/216259691.db2.gz UGTSEHCAUKBXRX-AZUAARDMSA-N 1 0 346.515 3.369 50 0 EGAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000022358513 212293008 /nfs/dbraw/zinc/29/30/08/212293008.db2.gz KSRHTXHPUCCQJF-INIZCTEOSA-N 1 0 328.799 3.070 50 0 EGAARO COc1cc(SC)c(OC)cc1C[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000215296983 241117627 /nfs/dbraw/zinc/11/76/27/241117627.db2.gz SVQYJGMCLBKJNY-CYBMUJFWSA-N 1 0 347.484 3.279 50 0 EGAARO Cc1ccc(-c2cccc(CN3CCC[C@](CO)(C[NH+](C)C)C3)c2)o1 ZINC000216104023 241164713 /nfs/dbraw/zinc/16/47/13/241164713.db2.gz VMCZTGZIRSDWGR-NRFANRHFSA-N 1 0 342.483 3.391 50 0 EGAARO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000216171481 241170149 /nfs/dbraw/zinc/17/01/49/241170149.db2.gz XIRDHCDCXQVTNN-HXUWFJFHSA-N 1 0 338.451 3.019 50 0 EGAARO COC[C@H]1CC[N@H+](Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000216486316 241193671 /nfs/dbraw/zinc/19/36/71/241193671.db2.gz QJBOSSGAEBCUAM-INIZCTEOSA-N 1 0 329.469 3.237 50 0 EGAARO COCc1nc(N[C@H]2CCCc3ccccc32)cc(C2CC([NH3+])C2)n1 ZINC000219226876 241369738 /nfs/dbraw/zinc/36/97/38/241369738.db2.gz AWIJFKAKXZQIAS-DQPZFDDXSA-N 1 0 338.455 3.317 50 0 EGAARO COc1ccc(CCN(C)[C@H]2CCC[N@H+](CC(C)C)C2)cc1OC ZINC000020998946 212197537 /nfs/dbraw/zinc/19/75/37/212197537.db2.gz QFFLUGVGLYTFMB-SFHVURJKSA-N 1 0 334.504 3.299 50 0 EGAARO COc1cccc(C[NH2+]CCO)c1OCc1ccc(F)cc1Cl ZINC000020876172 212181818 /nfs/dbraw/zinc/18/18/18/212181818.db2.gz IFLIVYAQJBFVSR-UHFFFAOYSA-N 1 0 339.794 3.149 50 0 EGAARO Cc1cccnc1C[C@@H](C)NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000244778721 243079965 /nfs/dbraw/zinc/07/99/65/243079965.db2.gz PVFLKHRMQCAVPI-OAHLLOKOSA-N 1 0 331.504 3.384 50 0 EGAARO Cc1ccc(N[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)cc1C ZINC000020820992 212173284 /nfs/dbraw/zinc/17/32/84/212173284.db2.gz 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EGAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000011843218 211255288 /nfs/dbraw/zinc/25/52/88/211255288.db2.gz NPLPIUIWJHZSPF-MRXNPFEDSA-N 1 0 326.375 3.438 50 0 EGAARO OCCOc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)cc1 ZINC000011753760 211243661 /nfs/dbraw/zinc/24/36/61/211243661.db2.gz NPDCPFGHMINOCC-IBGZPJMESA-N 1 0 344.430 3.273 50 0 EGAARO c1c2ccccc2oc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000091725726 218054863 /nfs/dbraw/zinc/05/48/63/218054863.db2.gz HXUKLRWLUJODHD-NVXWUHKLSA-N 1 0 334.423 3.324 50 0 EGAARO CC(=O)N[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)C[C@H]1c1ccc(C)o1 ZINC000091908509 218088035 /nfs/dbraw/zinc/08/80/35/218088035.db2.gz ZFOROTKXFFYDAN-UYAOXDASSA-N 1 0 349.434 3.240 50 0 EGAARO CCc1oc(C(=O)N2CC[C@](C)(O)C(C)(C)C2)cc1C[NH+]1CCCC1 ZINC000091998032 218101639 /nfs/dbraw/zinc/10/16/39/218101639.db2.gz IVOQWXWIECNJMD-FQEVSTJZSA-N 1 0 348.487 3.061 50 0 EGAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]CCCOc3cccnc3)[nH]c12 ZINC000092081909 218117466 /nfs/dbraw/zinc/11/74/66/218117466.db2.gz RANXBHQRTAQQSR-UHFFFAOYSA-N 1 0 337.423 3.099 50 0 EGAARO COCC[C@]1(CO)CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000092082024 218117822 /nfs/dbraw/zinc/11/78/22/218117822.db2.gz ZYWCQOGYAWBMCX-HXUWFJFHSA-N 1 0 333.472 3.011 50 0 EGAARO C[N@H+](CCCn1cccn1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000095354324 218288012 /nfs/dbraw/zinc/28/80/12/218288012.db2.gz FAWLPWHWJSQDME-UHFFFAOYSA-N 1 0 339.443 3.015 50 0 EGAARO CCOc1ncccc1CNC(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095365784 218298315 /nfs/dbraw/zinc/29/83/15/218298315.db2.gz QBWBFLHRKYWNDP-UHFFFAOYSA-N 1 0 345.487 3.141 50 0 EGAARO CCCCn1ccnc1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000095385225 218317206 /nfs/dbraw/zinc/31/72/06/218317206.db2.gz RENBMNGQWRQQOK-QGZVFWFLSA-N 1 0 346.519 3.264 50 0 EGAARO CC[NH+]1CCC(CC(=O)NCc2cc(-c3ccccc3F)no2)CC1 ZINC000095518029 218423868 /nfs/dbraw/zinc/42/38/68/218423868.db2.gz BJWGUCNXOCZXTK-UHFFFAOYSA-N 1 0 345.418 3.219 50 0 EGAARO O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1ccsc1)Cc1cccnc1 ZINC000096162858 218638444 /nfs/dbraw/zinc/63/84/44/218638444.db2.gz OPMISWIOZOEWFM-KRWDZBQOSA-N 1 0 341.480 3.062 50 0 EGAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000097499529 219030735 /nfs/dbraw/zinc/03/07/35/219030735.db2.gz LVDJLDLSMBHXMM-CQSZACIVSA-N 1 0 330.350 3.076 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)cn1 ZINC000426622944 257960886 /nfs/dbraw/zinc/96/08/86/257960886.db2.gz MMXFCXONGQSMIA-WSTZPKSXSA-N 1 0 346.471 3.029 50 0 EGAARO C[C@@H](c1ccc(-c2ccc(CS(C)(=O)=O)cn2)cc1)[NH+]1CCCC1 ZINC000426485505 257966839 /nfs/dbraw/zinc/96/68/39/257966839.db2.gz AMTIHYOWQUAZDV-HNNXBMFYSA-N 1 0 344.480 3.450 50 0 EGAARO Cc1cccc(-c2cccc(C(=O)N3CCC4(C3)CC[NH2+]CC4)c2)n1 ZINC000299771255 258083739 /nfs/dbraw/zinc/08/37/39/258083739.db2.gz UXVDPCYAMRDKOA-UHFFFAOYSA-N 1 0 335.451 3.273 50 0 EGAARO [NH3+]CCCOc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1Cl ZINC000299771499 258084341 /nfs/dbraw/zinc/08/43/41/258084341.db2.gz PIOWENSMBVLWGP-SDSIWUNFSA-N 1 0 348.874 3.186 50 0 EGAARO Cc1ccc(C(=O)N[C@H](C)Cc2ccsc2)cc1OCCC[NH3+] ZINC000299771703 258084458 /nfs/dbraw/zinc/08/44/58/258084458.db2.gz WOBNXIIXJCGDJF-CQSZACIVSA-N 1 0 332.469 3.145 50 0 EGAARO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000299781556 258090128 /nfs/dbraw/zinc/09/01/28/258090128.db2.gz OOOQBPJUNZASCE-MRXNPFEDSA-N 1 0 328.456 3.274 50 0 EGAARO CN(C[C@H]1CC[N@H+](C)C1(C)C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000299781891 258090822 /nfs/dbraw/zinc/09/08/22/258090822.db2.gz IKSTYFMXVQKUNS-OAHLLOKOSA-N 1 0 342.405 3.437 50 0 EGAARO O=C(Nc1cccc2n[nH]cc21)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000299788889 258095221 /nfs/dbraw/zinc/09/52/21/258095221.db2.gz WXEPLPZVXNHCKI-UHFFFAOYSA-N 1 0 341.459 3.435 50 0 EGAARO C[N@@H+](Cc1nc2ccccc2o1)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299795303 258099662 /nfs/dbraw/zinc/09/96/62/258099662.db2.gz LKVONRGSRBOBKG-OAHLLOKOSA-N 1 0 335.407 3.313 50 0 EGAARO Cc1cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc(C)n1 ZINC000299800958 258104039 /nfs/dbraw/zinc/10/40/39/258104039.db2.gz JURSIHKTMZNVNW-UHFFFAOYSA-N 1 0 337.467 3.135 50 0 EGAARO O=C(Cn1ccc2ccc(F)cc21)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000169680665 258070627 /nfs/dbraw/zinc/07/06/27/258070627.db2.gz AWJAWEHNGOOJNY-AEFFLSMTSA-N 1 0 343.446 3.161 50 0 EGAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCC(F)(F)CC1 ZINC000299755989 258074187 /nfs/dbraw/zinc/07/41/87/258074187.db2.gz GVTVAUHYYRAIBZ-BBWFWOEESA-N 1 0 334.410 3.470 50 0 EGAARO CO[C@]12CC[N@H+](Cc3cncn3C3CC3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299757033 258074928 /nfs/dbraw/zinc/07/49/28/258074928.db2.gz HMCCNFNHQPAXFM-HSALFYBXSA-N 1 0 345.487 3.157 50 0 EGAARO c1cnn(CC[NH2+]C2CCN(c3cccc(-c4ccco4)c3)CC2)c1 ZINC000082039601 132818075 /nfs/dbraw/zinc/81/80/75/132818075.db2.gz SZVFNHFYRJCRNP-UHFFFAOYSA-N 1 0 336.439 3.402 50 0 EGAARO COc1cc(C)ccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000082107300 286211521 /nfs/dbraw/zinc/21/15/21/286211521.db2.gz YKTZYXSWZFAZPK-QGZVFWFLSA-N 1 0 330.472 3.484 50 0 EGAARO O=C(OCc1ccccc1)N1CCc2ccccc2C12CC[NH2+]CC2 ZINC000409418865 262501977 /nfs/dbraw/zinc/50/19/77/262501977.db2.gz CXNYJWGZRAIYNG-UHFFFAOYSA-N 1 0 336.435 3.460 50 0 EGAARO CCC[N@@H+](Cc1cc(OC)ccc1-n1cccn1)C[C@H]1CCCO1 ZINC000215087462 276001447 /nfs/dbraw/zinc/00/14/47/276001447.db2.gz UNCJVSLUTVSCIT-GOSISDBHSA-N 1 0 329.444 3.272 50 0 EGAARO CSCCC[NH+]1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091894257 277509969 /nfs/dbraw/zinc/50/99/69/277509969.db2.gz SQICROLPYDIMRQ-UHFFFAOYSA-N 1 0 347.528 3.039 50 0 EGAARO COc1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1 ZINC000000038275 277860132 /nfs/dbraw/zinc/86/01/32/277860132.db2.gz OKBIKESTGYNDLW-UHFFFAOYSA-N 1 0 340.452 3.119 50 0 EGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077537874 280187339 /nfs/dbraw/zinc/18/73/39/280187339.db2.gz PIWJJWFYFLCJEI-KRWDZBQOSA-N 1 0 335.455 3.412 50 0 EGAARO [NH3+]C1(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CCC1 ZINC000449181213 310042707 /nfs/dbraw/zinc/04/27/07/310042707.db2.gz FVWJNWIRTMJBDL-UHFFFAOYSA-N 1 0 331.319 3.015 50 0 EGAARO C[C@H]1CCC[N@H+](CCC(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000244678899 455275492 /nfs/dbraw/zinc/27/54/92/455275492.db2.gz ILZRYQYMGSQCGN-RBUKOAKNSA-N 1 0 343.515 3.093 50 0 EGAARO COc1cccc(OC)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000000203782 452534626 /nfs/dbraw/zinc/53/46/26/452534626.db2.gz MAAIIVIYJZJRBX-JKSUJKDBSA-N 1 0 346.471 3.040 50 0 EGAARO O=C(c1cccs1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000000239195 452543645 /nfs/dbraw/zinc/54/36/45/452543645.db2.gz VEKQJSSAEBLXKR-UHFFFAOYSA-N 1 0 330.497 3.331 50 0 EGAARO O=C1C[C@H]([NH2+]C2CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000000341422 452566463 /nfs/dbraw/zinc/56/64/63/452566463.db2.gz ZQISNTDPOHZWMF-AWEZNQCLSA-N 1 0 340.345 3.260 50 0 EGAARO Cc1cc(Cl)c(OCCOCC[NH+](C)C)c(Br)c1 ZINC000002825062 452728368 /nfs/dbraw/zinc/72/83/68/452728368.db2.gz 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/nfs/dbraw/zinc/41/74/08/1441417408.db2.gz VHMNLVDVYMDDJV-TZIWHRDSSA-N 1 0 336.483 3.258 50 0 EGAARO CC(C)N1C[C@@H](C[N@H+](C)Cc2cccc3ncccc23)CCC1=O ZINC001772815425 1441417637 /nfs/dbraw/zinc/41/76/37/1441417637.db2.gz QKQIHBUGWZHCBU-MRXNPFEDSA-N 1 0 325.456 3.314 50 0 EGAARO Cn1c2ccccc2cc(-c2nccn2[C@@H]2CCC[N@@H+]3CCC[C@H]23)c1=O ZINC001772816067 1441417755 /nfs/dbraw/zinc/41/77/55/1441417755.db2.gz GJWNZSBPBDEKNB-RTBURBONSA-N 1 0 348.450 3.201 50 0 EGAARO FC(F)(F)Oc1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000097711709 219049694 /nfs/dbraw/zinc/04/96/94/219049694.db2.gz WREYVXAKWCRQDY-UHFFFAOYSA-N 1 0 326.322 3.083 50 0 EGAARO c1ccc(COc2ccc(CN3CC([NH+]4CCCCC4)C3)cc2)nc1 ZINC000097717040 219050556 /nfs/dbraw/zinc/05/05/56/219050556.db2.gz MKRYJCWSXIWJAZ-UHFFFAOYSA-N 1 0 337.467 3.331 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1cccn1-c1ncccn1 ZINC000055042645 214266840 /nfs/dbraw/zinc/26/68/40/214266840.db2.gz LBTPMLBKNBNAMM-INIZCTEOSA-N 1 0 342.468 3.102 50 0 EGAARO COCC[N@H+](Cc1sccc1C)Cc1ccc2c(c1)OCCO2 ZINC000055153441 214280120 /nfs/dbraw/zinc/28/01/20/214280120.db2.gz NPZQXJMULCUCOB-UHFFFAOYSA-N 1 0 333.453 3.476 50 0 EGAARO CCOC(=O)C(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(=O)OCC ZINC000004287973 210162159 /nfs/dbraw/zinc/16/21/59/210162159.db2.gz ISQMVXPLENPISL-KRWDZBQOSA-N 1 0 347.455 3.031 50 0 EGAARO C[N@H+](C[C@@H](O)COCCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000004279157 210159491 /nfs/dbraw/zinc/15/94/91/210159491.db2.gz CDPQQBYEMXOCRC-QGZVFWFLSA-N 1 0 341.879 3.361 50 0 EGAARO O=C(c1ccccc1)N1CCC([NH2+]CCOc2ccccc2F)CC1 ZINC000065397555 214889536 /nfs/dbraw/zinc/88/95/36/214889536.db2.gz PHWLIANYZQEXPR-UHFFFAOYSA-N 1 0 342.414 3.099 50 0 EGAARO Oc1ccccc1CCCNc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065469873 214922312 /nfs/dbraw/zinc/92/23/12/214922312.db2.gz YHRKHHAOYRHDPB-UHFFFAOYSA-N 1 0 340.452 3.087 50 0 EGAARO CC[C@]12CCC[N@@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000003881543 210083859 /nfs/dbraw/zinc/08/38/59/210083859.db2.gz GIGFIWJRTMBSRP-HKBOAZHASA-N 1 0 338.451 3.445 50 0 biogenic EGAARO Cc1cc(C)c(NC(=O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000003683975 210073719 /nfs/dbraw/zinc/07/37/19/210073719.db2.gz OFKLROIONDKPMH-UHFFFAOYSA-N 1 0 331.504 3.449 50 0 EGAARO COc1ccc(-c2nccn2CC[NH+]2CCCCC2)c(OC)c1OC ZINC000067588414 215166111 /nfs/dbraw/zinc/16/61/11/215166111.db2.gz ANEHDQIAIOQDOW-UHFFFAOYSA-N 1 0 345.443 3.062 50 0 EGAARO CC[C@H](O)C1CC[NH+](Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1 ZINC000067650191 215174133 /nfs/dbraw/zinc/17/41/33/215174133.db2.gz DTLLZKZQCUBXNA-KRWDZBQOSA-N 1 0 334.847 3.164 50 0 EGAARO CC(C)C(=O)Nc1cccnc1-c1cc2c(c(Cl)c1)O[C@H](C[NH3+])C2 ZINC000067712913 215191096 /nfs/dbraw/zinc/19/10/96/215191096.db2.gz SAKQPUDIPGIYGJ-ZDUSSCGKSA-N 1 0 345.830 3.259 50 0 EGAARO Cc1cc(C)n(-c2cccc(-c3nccn3[C@@H](C)c3ncnn3C)c2)n1 ZINC000067771040 215207954 /nfs/dbraw/zinc/20/79/54/215207954.db2.gz GWKFDYQSZYLKJV-HNNXBMFYSA-N 1 0 347.426 3.090 50 0 EGAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)Cc2ccc3ccccc3n2)n1 ZINC000067804640 215216130 /nfs/dbraw/zinc/21/61/30/215216130.db2.gz UFVGLGHFAQQCRN-UHFFFAOYSA-N 1 0 347.466 3.437 50 0 EGAARO C[N@H+](CCc1ccccc1)Cc1cc(C(=O)NCc2ccccc2)no1 ZINC000067842203 215227731 /nfs/dbraw/zinc/22/77/31/215227731.db2.gz WEDNOYOOKIQZEV-UHFFFAOYSA-N 1 0 349.434 3.279 50 0 EGAARO C=Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(O)c3)C2)cc1 ZINC000067934355 215252429 /nfs/dbraw/zinc/25/24/29/215252429.db2.gz LKTJKMNFQGOSIO-GOSISDBHSA-N 1 0 336.435 3.287 50 0 EGAARO Cc1ccc(CN2CC[N@H+](Cc3cccc(C)c3)C[C@H]2CCO)cc1 ZINC000104395954 219383721 /nfs/dbraw/zinc/38/37/21/219383721.db2.gz XTAUIOUSXVEFAY-JOCHJYFZSA-N 1 0 338.495 3.372 50 0 EGAARO COc1ccc(/C=C/CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1 ZINC000039468161 213238516 /nfs/dbraw/zinc/23/85/16/213238516.db2.gz XLFIFBISBMBZOF-DPZZJQGRSA-N 1 0 344.499 3.020 50 0 EGAARO CC[C@]12CCC[N@@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000038604903 213216026 /nfs/dbraw/zinc/21/60/26/213216026.db2.gz GIGFIWJRTMBSRP-PCCBWWKXSA-N 1 0 338.451 3.445 50 0 biogenic EGAARO OC[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C[C@H]1O ZINC000072128441 216019603 /nfs/dbraw/zinc/01/96/03/216019603.db2.gz XTPFEURUSCHEFW-DNVCBOLYSA-N 1 0 347.842 3.307 50 0 EGAARO COc1cccc([C@H]2C[N@H+](Cc3ccco3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072126632 216017460 /nfs/dbraw/zinc/01/74/60/216017460.db2.gz RKWREKJKZCODMA-NJDAHSKKSA-N 1 0 338.451 3.350 50 0 EGAARO NC(=O)CC[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072140019 216026574 /nfs/dbraw/zinc/02/65/74/216026574.db2.gz FPHBTTRKOWJLOK-CYBMUJFWSA-N 1 0 328.378 3.225 50 0 EGAARO CCc1ccc(CCNc2nc(-c3ccncc3)nc3c2C[NH2+]C3)cc1 ZINC000072143946 216029583 /nfs/dbraw/zinc/02/95/83/216029583.db2.gz BAESRILXIYEDME-UHFFFAOYSA-N 1 0 345.450 3.359 50 0 EGAARO CC[C@@H]1CN(Cc2ccc(Cn3cccn3)cc2)CC[N@@H+]1C(C)C ZINC000072152559 216041351 /nfs/dbraw/zinc/04/13/51/216041351.db2.gz PFDKIUDJXFCODA-HXUWFJFHSA-N 1 0 326.488 3.236 50 0 EGAARO CC(=O)c1ccc(N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc1 ZINC000072154859 216043904 /nfs/dbraw/zinc/04/39/04/216043904.db2.gz CPCDLNVSCBVELK-KSEOMHKRSA-N 1 0 347.462 3.351 50 0 EGAARO CCCCC(=O)N1C[C@H](c2ccccc2OC)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072166056 216056585 /nfs/dbraw/zinc/05/65/85/216056585.db2.gz BRWYLKYVXUMRKO-DUXKGJEZSA-N 1 0 342.483 3.274 50 0 EGAARO Cc1cccc(C[NH+]2CCN(Cc3cnc(-c4ccco4)nc3)CC2)c1 ZINC000072166921 216057914 /nfs/dbraw/zinc/05/79/14/216057914.db2.gz SXOFEAARWGPDHS-UHFFFAOYSA-N 1 0 348.450 3.363 50 0 EGAARO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@H+](CC(C)(C)C)C1 ZINC000072407151 216197812 /nfs/dbraw/zinc/19/78/12/216197812.db2.gz OEGHRTFGFUAUPL-INIZCTEOSA-N 1 0 333.524 3.027 50 0 EGAARO CC(C)=CCC[NH+]1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000072453790 216240954 /nfs/dbraw/zinc/24/09/54/216240954.db2.gz MHWAXWRTOOBKRP-UHFFFAOYSA-N 1 0 344.503 3.157 50 0 EGAARO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@@H+](Cc4ccco4)CC[C@H]32)o1 ZINC000072468337 216247599 /nfs/dbraw/zinc/24/75/99/216247599.db2.gz NIPVKVSZJZIJDN-QFBILLFUSA-N 1 0 342.439 3.237 50 0 EGAARO Cc1nn(CCO)cc1C[NH+]1CCC(Sc2cccc(C)c2)CC1 ZINC000072475397 216252858 /nfs/dbraw/zinc/25/28/58/216252858.db2.gz BFRODJLJCIYYRZ-UHFFFAOYSA-N 1 0 345.512 3.249 50 0 EGAARO Cc1cc(N2CCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)cc(C)[nH+]1 ZINC000072479636 216258931 /nfs/dbraw/zinc/25/89/31/216258931.db2.gz SMJDGVXQVDYHMN-UHFFFAOYSA-N 1 0 337.427 3.004 50 0 EGAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ccccc1OC(F)F ZINC000072479868 216260240 /nfs/dbraw/zinc/26/02/40/216260240.db2.gz PBGKGAGMTOBAKG-CYBMUJFWSA-N 1 0 326.387 3.234 50 0 EGAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c(C)c1C ZINC000023374312 212372302 /nfs/dbraw/zinc/37/23/02/212372302.db2.gz YSCOMDWJVGMPPY-FQEVSTJZSA-N 1 0 346.515 3.123 50 0 EGAARO OCC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000023358410 212370910 /nfs/dbraw/zinc/37/09/10/212370910.db2.gz XVVMAEBFHXFQEJ-HXUWFJFHSA-N 1 0 334.479 3.275 50 0 EGAARO COc1ccccc1[C@@H]1CCCN1Cc1ccc(S(C)(=O)=O)cc1 ZINC000215907244 241154560 /nfs/dbraw/zinc/15/45/60/241154560.db2.gz YSGQSVOQRCFKHR-SFHVURJKSA-N 1 0 345.464 3.436 50 0 EGAARO c1cnn(Cc2ccccc2C[NH+]2CCC(Oc3cccnc3)CC2)c1 ZINC000216520892 241197108 /nfs/dbraw/zinc/19/71/08/241197108.db2.gz AGJVNCSMASIPNU-UHFFFAOYSA-N 1 0 348.450 3.370 50 0 EGAARO Cc1ccc(-n2cc(CN(C)CC[N@H+](C)C3CCCC3)cn2)cc1 ZINC000222247271 241502605 /nfs/dbraw/zinc/50/26/05/241502605.db2.gz URGCNDXODKBJBI-UHFFFAOYSA-N 1 0 326.488 3.487 50 0 EGAARO O=C(NCc1ccco1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091637055 284010694 /nfs/dbraw/zinc/01/06/94/284010694.db2.gz ZXKAVNCEJXPKSE-ZWKOTPCHSA-N 1 0 339.439 3.086 50 0 EGAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2c(OC)cccc2OC)C1 ZINC000020993034 212195037 /nfs/dbraw/zinc/19/50/37/212195037.db2.gz QKQLDOLCBHYAAQ-HNNXBMFYSA-N 1 0 329.444 3.369 50 0 EGAARO CC(C)=CCC/C(C)=C/Cn1ncc(N2CCC[N@@H+](C)CC2)cc1=O ZINC000020866794 212178746 /nfs/dbraw/zinc/17/87/46/212178746.db2.gz IAHIJFDGPQGAKC-GIJQJNRQSA-N 1 0 344.503 3.078 50 0 EGAARO O[C@H]1C[C@@H]([C@@H]([NH2+]C2CCN(Cc3ccco3)CC2)c2cccs2)C1 ZINC000243893149 243028801 /nfs/dbraw/zinc/02/88/01/243028801.db2.gz AOMCMDMNYGLRBK-SIXWZSSISA-N 1 0 346.496 3.407 50 0 EGAARO Cc1cccc(C[NH+]2CCC(n3cc(CN4CCCC4)nn3)CC2)c1 ZINC000020865482 212179223 /nfs/dbraw/zinc/17/92/23/212179223.db2.gz WBCFKTREJTZQCL-UHFFFAOYSA-N 1 0 339.487 3.019 50 0 EGAARO COCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1COc2ccccc2O1 ZINC000244734955 243073385 /nfs/dbraw/zinc/07/33/85/243073385.db2.gz NQNSIYHWXLCAAU-QGZVFWFLSA-N 1 0 331.387 3.114 50 0 EGAARO O=C(Cc1cn(C[NH+]2CCCCC2)c2ccccc12)N1CCCC1 ZINC000020592049 212149685 /nfs/dbraw/zinc/14/96/85/212149685.db2.gz VZQJKZDPOFLTDI-UHFFFAOYSA-N 1 0 325.456 3.250 50 0 EGAARO OCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020255515 212114848 /nfs/dbraw/zinc/11/48/48/212114848.db2.gz SEGDYFOCENJWMD-HXUWFJFHSA-N 1 0 346.421 3.034 50 0 EGAARO COc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019866648 212077077 /nfs/dbraw/zinc/07/70/77/212077077.db2.gz IGLAPTRWWKZNHI-UHFFFAOYSA-N 1 0 335.451 3.494 50 0 EGAARO COc1ccc(Br)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000019872037 212077150 /nfs/dbraw/zinc/07/71/50/212077150.db2.gz JVMKTWRNFMYZJK-HNNXBMFYSA-N 1 0 336.229 3.281 50 0 EGAARO CCc1nc(C)c(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)[nH]1 ZINC000019790910 212068132 /nfs/dbraw/zinc/06/81/32/212068132.db2.gz SSBBLWPLOULJMU-LJQANCHMSA-N 1 0 340.515 3.419 50 0 EGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000019720441 212057395 /nfs/dbraw/zinc/05/73/95/212057395.db2.gz MICHGFRVAYLQTD-GOSISDBHSA-N 1 0 336.439 3.319 50 0 EGAARO CC[NH+]1CCN(Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000019633847 212052532 /nfs/dbraw/zinc/05/25/32/212052532.db2.gz HINGJHXEYGXZPU-UHFFFAOYSA-N 1 0 340.467 3.412 50 0 EGAARO Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019367915 212022692 /nfs/dbraw/zinc/02/26/92/212022692.db2.gz BYIXKRKSUDDJJP-UHFFFAOYSA-N 1 0 337.467 3.141 50 0 EGAARO COc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000019360122 212021040 /nfs/dbraw/zinc/02/10/40/212021040.db2.gz FCLZEMFFDYTCGA-UHFFFAOYSA-N 1 0 326.440 3.022 50 0 EGAARO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016580722 211916703 /nfs/dbraw/zinc/91/67/03/211916703.db2.gz GEJDMQSEPAKCKQ-QGZVFWFLSA-N 1 0 338.879 3.486 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000082146884 217477701 /nfs/dbraw/zinc/47/77/01/217477701.db2.gz CJBYBKFYYNXORU-UHFFFAOYSA-N 1 0 348.450 3.153 50 0 EGAARO Cc1cc(N2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)cc(C)[nH+]1 ZINC000082138284 217476238 /nfs/dbraw/zinc/47/62/38/217476238.db2.gz ZUXYRNOSDRQQFV-FQEVSTJZSA-N 1 0 335.451 3.077 50 0 EGAARO Cc1cc(C(=O)NCCCC[NH+]2CCCC2)c2ccc(F)cc2n1 ZINC000085532872 217675167 /nfs/dbraw/zinc/67/51/67/217675167.db2.gz BUCMGZRXQLJMCD-UHFFFAOYSA-N 1 0 329.419 3.288 50 0 EGAARO C[NH+](C)Cc1ccc(C(=O)N2CCC(Cc3cccnc3)CC2)cc1 ZINC000378409447 169116954 /nfs/dbraw/zinc/11/69/54/169116954.db2.gz CPDKMYUKSQQNKE-UHFFFAOYSA-N 1 0 337.467 3.238 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000012377828 211360753 /nfs/dbraw/zinc/36/07/53/211360753.db2.gz PXZKDSWGKAGWIE-GXTWGEPZSA-N 1 0 328.250 3.063 50 0 EGAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccncc2)C1 ZINC000012320188 211343816 /nfs/dbraw/zinc/34/38/16/211343816.db2.gz ZUKFVAQPJPHTFW-SQUSKLHYSA-N 1 0 335.451 3.218 50 0 EGAARO O=C1CC[N@H+](C2Cc3ccccc3C2)CCN1Cc1ccc(F)cc1 ZINC000012278653 211332782 /nfs/dbraw/zinc/33/27/82/211332782.db2.gz CELSEKWMBDPIMK-UHFFFAOYSA-N 1 0 338.426 3.027 50 0 EGAARO CCOc1ccccc1C[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091621290 218033358 /nfs/dbraw/zinc/03/33/58/218033358.db2.gz SOEZGTUZQOKUHT-UZLBHIALSA-N 1 0 333.472 3.085 50 0 EGAARO CCN(C)c1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000011872982 211261046 /nfs/dbraw/zinc/26/10/46/211261046.db2.gz DDXFQHUYPVAXCA-UHFFFAOYSA-N 1 0 344.503 3.018 50 0 EGAARO COc1cccc(-c2cccc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)c2)c1 ZINC000091548614 218020509 /nfs/dbraw/zinc/02/05/09/218020509.db2.gz ZBCQATYWLQDBSB-UXHICEINSA-N 1 0 336.435 3.172 50 0 EGAARO CC(C)C[N@@H+]1CC[C@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000011662963 211229473 /nfs/dbraw/zinc/22/94/73/211229473.db2.gz SKFUFJDQWXOTMI-MRXNPFEDSA-N 1 0 328.460 3.146 50 0 EGAARO C[C@H](C1CCN(C(=O)c2ccccc2OC(F)F)CC1)[NH+](C)C ZINC000091792813 218066772 /nfs/dbraw/zinc/06/67/72/218066772.db2.gz XBFKUCSRPYPTDH-GFCCVEGCSA-N 1 0 326.387 3.090 50 0 EGAARO CC(C)Cc1cc(C(=O)NCCC[NH+]2Cc3ccccc3C2)on1 ZINC000092065949 218112675 /nfs/dbraw/zinc/11/26/75/218112675.db2.gz FWOWIGWKADHADP-UHFFFAOYSA-N 1 0 327.428 3.009 50 0 EGAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000010329547 211164327 /nfs/dbraw/zinc/16/43/27/211164327.db2.gz DDPKSRFTTNUJFJ-QGZVFWFLSA-N 1 0 334.822 3.441 50 0 EGAARO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000009486539 211090709 /nfs/dbraw/zinc/09/07/09/211090709.db2.gz FSIAQTSDHUQAPH-QGZVFWFLSA-N 1 0 328.412 3.245 50 0 EGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2ncccc2Cl)C1 ZINC000095355500 218288991 /nfs/dbraw/zinc/28/89/91/218288991.db2.gz RHFHRAUMOYQDIB-OAHLLOKOSA-N 1 0 347.894 3.267 50 0 EGAARO COCCCN1CC2(CC1=O)CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000095365780 218298355 /nfs/dbraw/zinc/29/83/55/218298355.db2.gz JFDDCGLFYVLNGO-WEVVVXLNSA-N 1 0 342.483 3.051 50 0 EGAARO Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cs1 ZINC000095375961 218309365 /nfs/dbraw/zinc/30/93/65/218309365.db2.gz UFPWDIZQBNTVOS-DLBZAZTESA-N 1 0 341.480 3.188 50 0 EGAARO c1cn(Cc2cscn2)c([C@H]2CCCN(c3cc[nH+]cc3)C2)n1 ZINC000095378115 218311215 /nfs/dbraw/zinc/31/12/15/218311215.db2.gz DWPFCXYSCVITFV-AWEZNQCLSA-N 1 0 325.441 3.167 50 0 EGAARO CC[NH+]1CCC(CC(=O)N2CCC(OC)(c3ccccc3)CC2)CC1 ZINC000095525701 218429350 /nfs/dbraw/zinc/42/93/50/218429350.db2.gz MIAUYEZHZUFBTL-UHFFFAOYSA-N 1 0 344.499 3.273 50 0 EGAARO CCC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000005041988 210373243 /nfs/dbraw/zinc/37/32/43/210373243.db2.gz FBAINJLRWWLDHM-UHFFFAOYSA-N 1 0 325.840 3.345 50 0 EGAARO CC(C)C[NH2+]Cc1ccccc1OCC(=O)NCCc1ccccc1 ZINC000004870020 210308652 /nfs/dbraw/zinc/30/86/52/210308652.db2.gz WBJWWTXKEYLYQW-UHFFFAOYSA-N 1 0 340.467 3.170 50 0 EGAARO CC[C@H](C)n1nccc1NC(=O)NCC1([NH+]2CCCC2)CCCC1 ZINC000299778958 258088303 /nfs/dbraw/zinc/08/83/03/258088303.db2.gz RTJBZEOWQJZNKC-HNNXBMFYSA-N 1 0 333.480 3.384 50 0 EGAARO COc1ccc(F)cc1-c1cccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000299792476 258097914 /nfs/dbraw/zinc/09/79/14/258097914.db2.gz FWENPLCNTPXNGP-QGZVFWFLSA-N 1 0 342.414 3.277 50 0 EGAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1Cc1c(F)cccc1F ZINC000299801151 258104341 /nfs/dbraw/zinc/10/43/41/258104341.db2.gz VAZFXEMATXGYEO-OAHLLOKOSA-N 1 0 345.393 3.031 50 0 EGAARO Cc1ccc(C(=O)NCc2ccc3ccccc3n2)cc1OCCC[NH3+] ZINC000299800744 258104410 /nfs/dbraw/zinc/10/44/10/258104410.db2.gz YAXPUVVUKAWTHH-UHFFFAOYSA-N 1 0 349.434 3.201 50 0 EGAARO CCn1ccc2cc(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)ccc21 ZINC000299756660 258074706 /nfs/dbraw/zinc/07/47/06/258074706.db2.gz CYBSMPWHCQJJFP-HNNXBMFYSA-N 1 0 325.456 3.360 50 0 EGAARO Cc1ccc([C@@H](CCO)NC(=O)C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000299762196 258078372 /nfs/dbraw/zinc/07/83/72/258078372.db2.gz LWYDJWLPVFDAFM-LJQANCHMSA-N 1 0 344.499 3.333 50 0 EGAARO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCSCC1 ZINC000005043360 280441710 /nfs/dbraw/zinc/44/17/10/280441710.db2.gz MHLYGQIIGUMPMH-NNGLDNROSA-N 1 0 339.545 3.019 50 0 EGAARO CC1(C)C[C@H](C[NH+]2CCC3(CCC(=O)N(C4CCC4)C3)CC2)CCO1 ZINC000091587071 281334710 /nfs/dbraw/zinc/33/47/10/281334710.db2.gz IEDWTYSJZKNQFB-QGZVFWFLSA-N 1 0 348.531 3.449 50 0 EGAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1C[NH+]1CCCC1 ZINC000097619161 295128701 /nfs/dbraw/zinc/12/87/01/295128701.db2.gz FJVJJBXBLBFAEZ-SFHVURJKSA-N 1 0 346.471 3.120 50 0 EGAARO C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866567 455276848 /nfs/dbraw/zinc/27/68/48/455276848.db2.gz VYLBWTKCNRQVOZ-KRWDZBQOSA-N 1 0 338.451 3.426 50 0 EGAARO COc1cccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1OC ZINC000000239670 452544603 /nfs/dbraw/zinc/54/46/03/452544603.db2.gz MRYKBYYRAIPCLI-CVEARBPZSA-N 1 0 346.471 3.040 50 0 EGAARO COc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1C ZINC000000294144 452557633 /nfs/dbraw/zinc/55/76/33/452557633.db2.gz HWXYBFJJALURJJ-UHFFFAOYSA-N 1 0 326.440 3.334 50 0 EGAARO O=C(c1ccc(F)cc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000000350318 452567992 /nfs/dbraw/zinc/56/79/92/452567992.db2.gz BFPURFGUDPHDRZ-UHFFFAOYSA-N 1 0 342.458 3.408 50 0 EGAARO CCc1ccc([C@]2(O)C[n+]3ccccc3N2Cc2ccccc2)cc1 ZINC000001253566 452649131 /nfs/dbraw/zinc/64/91/31/452649131.db2.gz OKWIWJUXPIAJCR-JOCHJYFZSA-N 1 0 331.439 3.404 50 0 EGAARO CC1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccccn3)cs2)[NH2+]1 ZINC000001415173 452661780 /nfs/dbraw/zinc/66/17/80/452661780.db2.gz ADUHDGVCSXJXAG-LBPRGKRZSA-N 1 0 328.319 3.042 50 0 EGAARO C[NH+](C)CCOC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000005668196 452893793 /nfs/dbraw/zinc/89/37/93/452893793.db2.gz NQGCPKSMNLDCNT-UHFFFAOYSA-N 1 0 331.799 3.289 50 0 EGAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)NCCc1ccccc1 ZINC000006730528 452978602 /nfs/dbraw/zinc/97/86/02/452978602.db2.gz BPNCHAGCTUXVQW-UHFFFAOYSA-N 1 0 336.479 3.300 50 0 EGAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000007541529 453085097 /nfs/dbraw/zinc/08/50/97/453085097.db2.gz NLLYZGUDYLZAJQ-UHFFFAOYSA-N 1 0 339.468 3.149 50 0 EGAARO COc1ccc(OC)c2c(=O)c(C[NH+]3CCC(C)CC3)c(C)[nH]c12 ZINC000008717486 453226312 /nfs/dbraw/zinc/22/63/12/453226312.db2.gz PGYSFZNYMBQUTJ-UHFFFAOYSA-N 1 0 330.428 3.498 50 0 EGAARO Cc1c(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cnn1C ZINC000012751559 453398651 /nfs/dbraw/zinc/39/86/51/453398651.db2.gz AOLIWTUXHOISAD-NSHDSACASA-N 1 0 345.397 3.352 50 0 EGAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000013115900 453446479 /nfs/dbraw/zinc/44/64/79/453446479.db2.gz AWWRKBNPEHEIAK-OKILXGFUSA-N 1 0 336.863 3.054 50 0 EGAARO CC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)CC1 ZINC000013745026 453486896 /nfs/dbraw/zinc/48/68/96/453486896.db2.gz MJMXSZJYQRDXMI-UHFFFAOYSA-N 1 0 338.879 3.406 50 0 EGAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CC(C)C)C2 ZINC000014751207 453543259 /nfs/dbraw/zinc/54/32/59/453543259.db2.gz WZSLTSYNNOAEOU-MRXNPFEDSA-N 1 0 346.519 3.022 50 0 EGAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3c(F)cccc3Cl)C2)C1 ZINC000015074481 453555332 /nfs/dbraw/zinc/55/53/32/453555332.db2.gz UKVRBZCOHLSBDJ-SFHVURJKSA-N 1 0 340.870 3.413 50 0 EGAARO CC[NH+]1CCC(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000016603215 453614677 /nfs/dbraw/zinc/61/46/77/453614677.db2.gz ZWBKPVKDLOSNSK-UHFFFAOYSA-N 1 0 345.668 3.317 50 0 EGAARO Fc1cccc([C@]2(CN3CCC([NH+]4CCCC4)CC3)CCOC2)c1 ZINC000019227363 453655738 /nfs/dbraw/zinc/65/57/38/453655738.db2.gz ISJCJNUFDJTTKK-FQEVSTJZSA-N 1 0 332.463 3.044 50 0 EGAARO Cc1c(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c2ccccc2n1C ZINC000020856166 453670028 /nfs/dbraw/zinc/67/00/28/453670028.db2.gz LKHIIYWMMZEYMW-INIZCTEOSA-N 1 0 335.455 3.035 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)COc2ccccc2)[NH+]2CCCC2)cc1 ZINC000027794352 453820453 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Cc1ccc(-c2noc(CC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)nn1 ZINC000082160486 453927320 /nfs/dbraw/zinc/92/73/20/453927320.db2.gz CISFXXHVNCOJRI-GOEBONIOSA-N 1 0 327.432 3.032 50 0 EGAARO O=C(NCc1ccccc1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043972143 454084370 /nfs/dbraw/zinc/08/43/70/454084370.db2.gz QRNPSUPKDDQPCE-UHFFFAOYSA-N 1 0 343.496 3.460 50 0 EGAARO Cc1cnc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000077287468 454086143 /nfs/dbraw/zinc/08/61/43/454086143.db2.gz JBJQJYPHXCTVGN-IBGZPJMESA-N 1 0 338.455 3.214 50 0 EGAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3cccc4nonc43)C2)c1 ZINC000077388521 454101142 /nfs/dbraw/zinc/10/11/42/454101142.db2.gz NPDIOKSMPYSCKV-CYBMUJFWSA-N 1 0 339.395 3.230 50 0 EGAARO c1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc(N2CCCC2)c1 ZINC000077436316 454105851 /nfs/dbraw/zinc/10/58/51/454105851.db2.gz MKYDUWHGBWTXJT-SFHVURJKSA-N 1 0 330.472 3.105 50 0 EGAARO Cn1nc(-c2nccn2[C@H]2CCC[N@H+](C)C2)c2c1cccc2Cl ZINC000077505453 454115355 /nfs/dbraw/zinc/11/53/55/454115355.db2.gz FJYOYRQONAHLGU-LBPRGKRZSA-N 1 0 329.835 3.357 50 0 EGAARO Cc1ccccc1[C@@H]1CC[N@H+](CCn2cc(-c3nccs3)nn2)C1 ZINC000095363356 454196760 /nfs/dbraw/zinc/19/67/60/454196760.db2.gz MASUMOYVRVMXGM-OAHLLOKOSA-N 1 0 339.468 3.200 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(c2nccc(CCC(F)(F)F)n2)C1 ZINC000071405622 454206157 /nfs/dbraw/zinc/20/61/57/454206157.db2.gz PTJOWTRKZNIWEP-LBPRGKRZSA-N 1 0 328.382 3.035 50 0 EGAARO C[NH2+]CC(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071498093 454207663 /nfs/dbraw/zinc/20/76/63/454207663.db2.gz WDSGLEDSTPYARK-AWEZNQCLSA-N 1 0 328.378 3.096 50 0 EGAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ccc(NC3CC3)nn2)c1 ZINC000071615135 454208698 /nfs/dbraw/zinc/20/86/98/454208698.db2.gz QQPHVRGFEOCHMG-MRXNPFEDSA-N 1 0 338.455 3.498 50 0 EGAARO Cc1cccn2c(CNC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)cnc12 ZINC000071746042 454212106 /nfs/dbraw/zinc/21/21/06/454212106.db2.gz QPWZBZNFWMXLBV-AWEZNQCLSA-N 1 0 340.452 3.059 50 0 EGAARO CC[N@H+](C)C[C@H](C)CNc1nc(C)nc2c1Cc1ccccc1OC2 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CCOc1ccc2nc(C[N@@H+]3CCC[C@H](c4ncon4)C3)ccc2c1 ZINC000097528997 454438529 /nfs/dbraw/zinc/43/85/29/454438529.db2.gz NNTKDMLBVIQAJX-HNNXBMFYSA-N 1 0 338.411 3.396 50 0 EGAARO CC(=O)Nc1ccc(C[N@@H+](Cc2c(C)nn(C)c2C)C(C)C)cc1 ZINC000063885252 454457921 /nfs/dbraw/zinc/45/79/21/454457921.db2.gz VTOMADPLODFXLO-UHFFFAOYSA-N 1 0 328.460 3.406 50 0 EGAARO C[C@@H](c1cccc(-c2ccc3[nH]c(=O)[nH]c(=O)c3c2)c1)[NH+]1CCCC1 ZINC000065371535 454554724 /nfs/dbraw/zinc/55/47/24/454554724.db2.gz VBGPYYGWEBNFKP-ZDUSSCGKSA-N 1 0 335.407 3.040 50 0 EGAARO C/C(=C\c1cc(Cl)ccc1O)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000065403565 454559655 /nfs/dbraw/zinc/55/96/55/454559655.db2.gz JANALNPWNDHAIP-MDWZMJQESA-N 1 0 334.847 3.051 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)N[C@H](C)Cn2ccc3ccccc32)CC1 ZINC000065434481 454566864 /nfs/dbraw/zinc/56/68/64/454566864.db2.gz IKRMPENDLXTFII-MRXNPFEDSA-N 1 0 327.472 3.266 50 0 EGAARO O=C(C1CCOCC1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106903497 454730029 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CCCO[C@@H]1CCC[N@H+](CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000244748586 243076551 /nfs/dbraw/zinc/07/65/51/243076551.db2.gz OKFPHJRZUOJUHJ-QGZVFWFLSA-N 1 0 338.879 3.237 50 0 EGAARO CCN(C(=O)CC[N@@H+]1CCC[C@@H](C(C)(C)O)C1)c1ccccc1C ZINC000244874451 243094114 /nfs/dbraw/zinc/09/41/14/243094114.db2.gz XBMWKXJKVAXDNC-QGZVFWFLSA-N 1 0 332.488 3.221 50 0 EGAARO C[N@H+](CCC(=O)NCc1cccc(Cl)c1)Cc1cccc(O)c1 ZINC000252490674 243795201 /nfs/dbraw/zinc/79/52/01/243795201.db2.gz KYWFIBMCWPZDRF-UHFFFAOYSA-N 1 0 332.831 3.184 50 0 EGAARO CCOC(=O)c1c(N)sc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000019866393 212077936 /nfs/dbraw/zinc/07/79/36/212077936.db2.gz YIAPVCLCADJYMX-UHFFFAOYSA-N 1 0 330.453 3.108 50 0 EGAARO COc1ccc(OC)c(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000019842210 212074961 /nfs/dbraw/zinc/07/49/61/212074961.db2.gz UCKWNIGSCCMYBV-WMZOPIPTSA-N 1 0 332.488 3.400 50 0 EGAARO Clc1cccc(-c2cn(C3CC[NH+](C[C@H]4CCOC4)CC3)nn2)c1 ZINC000019838798 212074454 /nfs/dbraw/zinc/07/44/54/212074454.db2.gz JEDXGOMPMZDKFX-CQSZACIVSA-N 1 0 346.862 3.272 50 0 EGAARO Cc1[nH]c2ccccc2c(=O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000019793709 212068523 /nfs/dbraw/zinc/06/85/23/212068523.db2.gz KWQMGOWDZOWAAN-UHFFFAOYSA-N 1 0 333.435 3.159 50 0 EGAARO O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1cccc(Cl)c1 ZINC000019731857 212058292 /nfs/dbraw/zinc/05/82/92/212058292.db2.gz DRVACZSWEMRPEQ-INIZCTEOSA-N 1 0 332.831 3.452 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000019594915 212050872 /nfs/dbraw/zinc/05/08/72/212050872.db2.gz ZGLGXEOBPJFJKX-KRWDZBQOSA-N 1 0 335.407 3.179 50 0 EGAARO Cc1ncc2c(c1-c1noc([C@H]3CCc4ccccc4C3)n1)CC[NH2+]C2 ZINC000019334260 212016735 /nfs/dbraw/zinc/01/67/35/212016735.db2.gz LUVBLYOURACQOW-INIZCTEOSA-N 1 0 346.434 3.358 50 0 EGAARO CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@H]1CCC[N@@H+]1C ZINC000019300817 212014047 /nfs/dbraw/zinc/01/40/47/212014047.db2.gz PSPSFHOYFSYHLR-QGZVFWFLSA-N 1 0 332.879 3.267 50 0 EGAARO O=C1C[C@H]([NH2+]Cc2ccc(Cl)s2)CN1Cc1cccc(F)c1 ZINC000012439452 211381375 /nfs/dbraw/zinc/38/13/75/211381375.db2.gz LNIGVZRDDWIDQA-ZDUSSCGKSA-N 1 0 338.835 3.431 50 0 EGAARO C[NH+]1CCC(NC(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000012381173 211361762 /nfs/dbraw/zinc/36/17/62/211361762.db2.gz SMVAEPMOHJDZCP-UHFFFAOYSA-N 1 0 345.270 3.361 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)c(F)c1 ZINC000091410357 218000774 /nfs/dbraw/zinc/00/07/74/218000774.db2.gz HYECNYGLRQMADE-KRWDZBQOSA-N 1 0 329.415 3.391 50 0 EGAARO COCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011950707 211274875 /nfs/dbraw/zinc/27/48/75/211274875.db2.gz PIQZRJUCAJBEEC-LJQANCHMSA-N 1 0 332.488 3.002 50 0 EGAARO Cc1ncc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)ncc32)n1C ZINC000011935787 211271696 /nfs/dbraw/zinc/27/16/96/211271696.db2.gz TYLLNVTXMBAADT-SFHVURJKSA-N 1 0 333.439 3.353 50 0 EGAARO Cc1ccccc1-n1cc(CN(C)C(=O)[C@@H]2CCCCC[N@@H+]2C)cn1 ZINC000091452422 218009124 /nfs/dbraw/zinc/00/91/24/218009124.db2.gz UFEFLETUCLQNQA-IBGZPJMESA-N 1 0 340.471 3.014 50 0 EGAARO COc1ccc2c(C)c(C(=O)NC(C)(C)C[NH+]3CCCC3)oc2c1 ZINC000091474772 218011805 /nfs/dbraw/zinc/01/18/05/218011805.db2.gz HSDPOYFIRWFUFK-UHFFFAOYSA-N 1 0 330.428 3.354 50 0 EGAARO O=C1C[C@@H]([NH2+]C2CCCC2)CN1Cc1ccccc1C(F)(F)F ZINC000011873758 211262915 /nfs/dbraw/zinc/26/29/15/211262915.db2.gz GQGVOYDQYLFJKW-CQSZACIVSA-N 1 0 326.362 3.339 50 0 EGAARO CCCCn1ccnc1C1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000091595454 218029258 /nfs/dbraw/zinc/02/92/58/218029258.db2.gz JARLPGBPIWMIEK-UHFFFAOYSA-N 1 0 346.519 3.265 50 0 EGAARO CC(C)C[N@@H+]1CC[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000011662964 211229723 /nfs/dbraw/zinc/22/97/23/211229723.db2.gz SKFUFJDQWXOTMI-INIZCTEOSA-N 1 0 328.460 3.146 50 0 EGAARO COc1ccccc1C[C@H](C)[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000011661103 211229098 /nfs/dbraw/zinc/22/90/98/211229098.db2.gz FDCRTZTWYIAFGS-INIZCTEOSA-N 1 0 344.499 3.397 50 0 EGAARO COCC[C@@]1(CO)CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000091872384 218081072 /nfs/dbraw/zinc/08/10/72/218081072.db2.gz JRCSRFNNTJGFPQ-FQEVSTJZSA-N 1 0 347.503 3.135 50 0 EGAARO CN(C)[C@H](C(=O)NC(C)(C)C[NH+]1CCCCCC1)c1ccccc1F ZINC000092045951 218111004 /nfs/dbraw/zinc/11/10/04/218111004.db2.gz LIXBUTOVJQVEPQ-SFHVURJKSA-N 1 0 349.494 3.199 50 0 EGAARO c1cc([C@@H]2C[N@@H+](C3CCCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000095363116 218295654 /nfs/dbraw/zinc/29/56/54/218295654.db2.gz FBXFUJCVMCHIBI-IOMROCGXSA-N 1 0 340.467 3.220 50 0 EGAARO CC[NH+]1CCC(CC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000095382809 218314606 /nfs/dbraw/zinc/31/46/06/218314606.db2.gz VWPNXJFNLKNYOA-OAQYLSRUSA-N 1 0 337.467 3.409 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCC[C@@H]2CCCO2)cc1 ZINC000097346774 219013363 /nfs/dbraw/zinc/01/33/63/219013363.db2.gz NQTMBCZSZOZYQJ-GOSISDBHSA-N 1 0 329.444 3.476 50 0 EGAARO CC[NH2+]Cc1cc(I)c(OC(C)C)c(OC)c1 ZINC000004834499 210291962 /nfs/dbraw/zinc/29/19/62/210291962.db2.gz KTVSDQNYMHNNRP-UHFFFAOYSA-N 1 0 349.212 3.197 50 0 EGAARO C[C@@H](c1ccc(-c2cc(NCCO)ncn2)cc1)[NH+]1CCCCC1 ZINC000097468411 219027799 /nfs/dbraw/zinc/02/77/99/219027799.db2.gz RHVHPOBDYFANOO-HNNXBMFYSA-N 1 0 326.444 3.095 50 0 EGAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000097499530 219030316 /nfs/dbraw/zinc/03/03/16/219030316.db2.gz LVDJLDLSMBHXMM-AWEZNQCLSA-N 1 0 330.350 3.076 50 0 EGAARO CCCN(C(=O)c1cccc(OCC[NH3+])c1)C1Cc2ccccc2C1 ZINC000426360181 257971648 /nfs/dbraw/zinc/97/16/48/257971648.db2.gz NRNRPPNSTCRAOZ-UHFFFAOYSA-N 1 0 338.451 3.044 50 0 EGAARO C[C@@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc(OCc2ccco2)cc1 ZINC000299783738 258091926 /nfs/dbraw/zinc/09/19/26/258091926.db2.gz WSAUOJHEQDFOOW-OAHLLOKOSA-N 1 0 343.427 3.417 50 0 EGAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CCC(F)(F)F)C1 ZINC000299786542 258093887 /nfs/dbraw/zinc/09/38/87/258093887.db2.gz NBFBGDOKVHEREU-CQSZACIVSA-N 1 0 328.378 3.276 50 0 EGAARO COc1cc(C)c(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c(C)c1C ZINC000299791255 258096705 /nfs/dbraw/zinc/09/67/05/258096705.db2.gz CTZHEEWLCRWIHR-LSTHTHJFSA-N 1 0 333.472 3.125 50 0 EGAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc(OCCc2ccsc2)c1 ZINC000299800629 258103675 /nfs/dbraw/zinc/10/36/75/258103675.db2.gz XDNAIRMKOSUZOU-SFHVURJKSA-N 1 0 344.480 3.128 50 0 EGAARO C[NH+]1CCC2(CCN(C(=O)Nc3cccc(-c4cc[nH]n4)c3)C2)CC1 ZINC000299758257 258075830 /nfs/dbraw/zinc/07/58/30/258075830.db2.gz QISVWLGLJFPOFK-UHFFFAOYSA-N 1 0 339.443 3.026 50 0 EGAARO CCC[C@@H](C)n1nccc1NC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000299760165 258077021 /nfs/dbraw/zinc/07/70/21/258077021.db2.gz HOBIYKLJIDHWIN-OAHLLOKOSA-N 1 0 333.480 3.194 50 0 EGAARO CCCC[N@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067840305 276232756 /nfs/dbraw/zinc/23/27/56/276232756.db2.gz CQWKWDBVDFANST-OAQYLSRUSA-N 1 0 346.515 3.395 50 0 EGAARO COCC[NH+]1CCC(C(=O)N2CCCCC[C@H]2c2ccco2)CC1 ZINC000097785597 277219070 /nfs/dbraw/zinc/21/90/70/277219070.db2.gz BUPCGPOUOJQEOD-KRWDZBQOSA-N 1 0 334.460 3.082 50 0 EGAARO CNC(=O)c1[nH]nc2c1C[N@H+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000097425057 277255451 /nfs/dbraw/zinc/25/54/51/277255451.db2.gz HFESDYCPHBDCPI-UHFFFAOYSA-N 1 0 330.476 3.044 50 0 EGAARO C[C@]1(NC(=O)C[NH+]2CCCCC2)CCCC[C@@H]1c1ccc(O)cc1 ZINC000004827855 280166669 /nfs/dbraw/zinc/16/66/69/280166669.db2.gz RKVVOOFGAYILCJ-QUCCMNQESA-N 1 0 330.472 3.411 50 0 EGAARO COc1ccc(Cl)cc1CN(C)c1cc([C@H]2CCC[NH2+]C2)ncn1 ZINC000067754437 295144898 /nfs/dbraw/zinc/14/48/98/295144898.db2.gz PRPVFWHMAFMVMQ-ZDUSSCGKSA-N 1 0 346.862 3.242 50 0 EGAARO C[C@H](NC(=O)NCCCC[NH3+])C(c1ccccc1)c1ccccc1 ZINC000417105974 309193292 /nfs/dbraw/zinc/19/32/92/309193292.db2.gz FRMIUFAWJHZGFA-INIZCTEOSA-N 1 0 325.456 3.245 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000572195249 317304152 /nfs/dbraw/zinc/30/41/52/317304152.db2.gz JFTHQGHBIQQQBF-GOSISDBHSA-N 1 0 326.444 3.134 50 0 EGAARO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000527386 452614265 /nfs/dbraw/zinc/61/42/65/452614265.db2.gz AHOUBRCZNHFOSL-YOEHRIQHSA-N 1 0 329.371 3.327 50 0 biogenic,fda EGAARO COc1ccc(/C=C/C(=O)OCC[N@H+](C)Cc2ccccc2)cc1 ZINC000002180614 452688175 /nfs/dbraw/zinc/68/81/75/452688175.db2.gz NWUYZFIGOKUAEY-JLHYYAGUSA-N 1 0 325.408 3.384 50 0 biogenic EGAARO COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCC3)c(F)c1 ZINC000002966163 452735224 /nfs/dbraw/zinc/73/52/24/452735224.db2.gz SSXURHLRYLAVCV-HXUWFJFHSA-N 1 0 341.406 3.095 50 0 EGAARO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000005163476 452843194 /nfs/dbraw/zinc/84/31/94/452843194.db2.gz CCOUWJDAGIUNQO-ZDUSSCGKSA-N 1 0 343.427 3.076 50 0 EGAARO Cc1ccc([C@H](CC(=O)NCC[NH+](C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005348227 452863508 /nfs/dbraw/zinc/86/35/08/452863508.db2.gz NPNUTSYTZRGBMM-MOPGFXCFSA-N 1 0 346.515 3.352 50 0 EGAARO O[C@@H](CN1c2ccccc2N2CCC[NH+]=C12)c1ccc(Cl)cc1 ZINC000006616525 452961285 /nfs/dbraw/zinc/96/12/85/452961285.db2.gz MCROTVLLGLNWRU-KRWDZBQOSA-N 1 0 327.815 3.460 50 0 aggregator EGAARO CCCOc1ccc(OCC[NH+]2CCC(C(=O)OCC)CC2)cc1 ZINC000006729073 452977458 /nfs/dbraw/zinc/97/74/58/452977458.db2.gz FBUGRBZOEQJAFM-UHFFFAOYSA-N 1 0 335.444 3.129 50 0 EGAARO COc1cc(C[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1Cl ZINC000008535082 453213219 /nfs/dbraw/zinc/21/32/19/453213219.db2.gz CYEJOEUMFIIDMG-CYBMUJFWSA-N 1 0 335.831 3.398 50 0 EGAARO COc1ccc2nc(N3CCC([NH2+]CC(C)C)CC3)nc(C)c2c1 ZINC000012053397 453343091 /nfs/dbraw/zinc/34/30/91/453343091.db2.gz XBTHHBPNHYYTDZ-UHFFFAOYSA-N 1 0 328.460 3.161 50 0 EGAARO O=C(/C=C/c1ccco1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012712748 453393027 /nfs/dbraw/zinc/39/30/27/453393027.db2.gz SATYLUVMSTYGJF-BBVFFXRHSA-N 1 0 336.435 3.041 50 0 EGAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(NC3CCCC3)nc2)C1 ZINC000014977479 453549143 /nfs/dbraw/zinc/54/91/43/453549143.db2.gz XAQWWSNUQIMFDQ-MRXNPFEDSA-N 1 0 344.503 3.144 50 0 EGAARO [NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000016052630 453592093 /nfs/dbraw/zinc/59/20/93/453592093.db2.gz RZIDZIGAXXNODG-UHFFFAOYSA-N 1 0 341.846 3.152 50 0 in-vivo EGAARO C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000020537994 453666469 /nfs/dbraw/zinc/66/64/69/453666469.db2.gz MRVQMMNASOYMIX-MRXNPFEDSA-N 1 0 349.906 3.111 50 0 EGAARO CC(=O)Nc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000022591638 453694754 /nfs/dbraw/zinc/69/47/54/453694754.db2.gz YEVOSQDVKRWZDT-VMPITWQZSA-N 1 0 349.478 3.476 50 0 EGAARO COc1ccc([C@H](CNC(=O)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000027747924 453820228 /nfs/dbraw/zinc/82/02/28/453820228.db2.gz JLJFFBXKYSDBJK-FQEVSTJZSA-N 1 0 338.451 3.191 50 0 biogenic EGAARO O=C(Cn1ccc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032069455 453862882 /nfs/dbraw/zinc/86/28/82/453862882.db2.gz VCZITSQFCURDQV-UHFFFAOYSA-N 1 0 347.462 3.422 50 0 EGAARO C[NH+]1CCC(C2CCN(C(=O)c3ccn(C(C)(C)C)c3)CC2)CC1 ZINC000082097788 453924171 /nfs/dbraw/zinc/92/41/71/453924171.db2.gz MRVVYGXVTTXSPO-UHFFFAOYSA-N 1 0 331.504 3.437 50 0 EGAARO CC(=O)c1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000082115417 453924927 /nfs/dbraw/zinc/92/49/27/453924927.db2.gz NYWBPGBLBSNGTM-KRWDZBQOSA-N 1 0 328.456 3.370 50 0 EGAARO CC[C@H](C)NC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082166693 453927129 /nfs/dbraw/zinc/92/71/29/453927129.db2.gz WXOBETZMALLWEJ-HNNXBMFYSA-N 1 0 347.507 3.019 50 0 EGAARO Cc1nc(C(F)(F)F)nc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)c1C ZINC000067643784 453952134 /nfs/dbraw/zinc/95/21/34/453952134.db2.gz VQVCBHURVWMEPQ-LLVKDONJSA-N 1 0 341.308 3.181 50 0 EGAARO CC[C@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC[N@@H+]1C(C)C ZINC000077376196 454099175 /nfs/dbraw/zinc/09/91/75/454099175.db2.gz IMXWLWIKRUDWEG-KRWDZBQOSA-N 1 0 326.444 3.022 50 0 EGAARO COCc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000069460864 454108041 /nfs/dbraw/zinc/10/80/41/454108041.db2.gz JLLHQDJFBKAKTN-SFHVURJKSA-N 1 0 342.439 3.301 50 0 EGAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077540936 454119517 /nfs/dbraw/zinc/11/95/17/454119517.db2.gz MLELYZQUPDICFW-FQEVSTJZSA-N 1 0 346.446 3.201 50 0 EGAARO Cc1[nH]c2c(cccc2C[NH+]2CCC(N3CCCC3=O)CC2)c1C ZINC000071730403 454211209 /nfs/dbraw/zinc/21/12/09/454211209.db2.gz ZQBNWIBSCSLRBW-UHFFFAOYSA-N 1 0 325.456 3.372 50 0 EGAARO CC(C)c1nccc(C[N@@H+]2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)n1 ZINC000071747910 454212952 /nfs/dbraw/zinc/21/29/52/454212952.db2.gz BKIVQGMBMSFAJE-SFHVURJKSA-N 1 0 344.503 3.069 50 0 EGAARO [NH3+]C1(C(=O)N2CCC[C@@H](CCc3ccccc3C(F)(F)F)C2)CC1 ZINC000071751975 454214876 /nfs/dbraw/zinc/21/48/76/454214876.db2.gz NYFDDWUIJNPRQA-ZDUSSCGKSA-N 1 0 340.389 3.368 50 0 EGAARO CCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071764229 454216556 /nfs/dbraw/zinc/21/65/56/454216556.db2.gz BVKWGKOJVNGZKO-GOSISDBHSA-N 1 0 335.467 3.478 50 0 EGAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@](C)(O)C3)c(C)o2)cc1OC ZINC000071767650 454217162 /nfs/dbraw/zinc/21/71/62/454217162.db2.gz VJUBXLOHMVDTKC-IBGZPJMESA-N 1 0 346.427 3.014 50 0 EGAARO Cc1nn(C)c2nc(N(C)[C@H](C[NH+](C)C)c3ccccc3)sc12 ZINC000095497639 454220845 /nfs/dbraw/zinc/22/08/45/454220845.db2.gz MHFHFLIXQDRZMX-CQSZACIVSA-N 1 0 329.473 3.077 50 0 EGAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000095498153 454221333 /nfs/dbraw/zinc/22/13/33/454221333.db2.gz ROWAQDSGNRAOND-GOSISDBHSA-N 1 0 346.519 3.121 50 0 EGAARO Cc1nn(C)c2nc(N3CCC(C[NH+]4CCCCC4)CC3)sc12 ZINC000095519023 454226819 /nfs/dbraw/zinc/22/68/19/454226819.db2.gz ZFYHSMVWEAHNGR-UHFFFAOYSA-N 1 0 333.505 3.041 50 0 EGAARO COc1ccc(-n2nc(CCSC)nc2[C@H]2CCC[NH2+]CC2)cc1 ZINC000096180553 454298179 /nfs/dbraw/zinc/29/81/79/454298179.db2.gz OGYSRQDEDKYMRQ-AWEZNQCLSA-N 1 0 346.500 3.039 50 0 EGAARO COc1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)c2cccnc12 ZINC000097099239 454405916 /nfs/dbraw/zinc/40/59/16/454405916.db2.gz GJHINLNMPXGUQH-UHFFFAOYSA-N 1 0 348.450 3.053 50 0 EGAARO CCc1nnc2n1C[C@H]([NH2+]Cc1ccc(-c3ccc(F)cc3)o1)CC2 ZINC000097199498 454421680 /nfs/dbraw/zinc/42/16/80/454421680.db2.gz LGEBKZGLPDADFS-OAHLLOKOSA-N 1 0 340.402 3.344 50 0 EGAARO COc1cc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(OC)c1OC ZINC000063845577 454453983 /nfs/dbraw/zinc/45/39/83/454453983.db2.gz KEWMYXKLZXPOHY-GOEBONIOSA-N 1 0 335.444 3.356 50 0 EGAARO Cc1cccnc1C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000065371542 454555172 /nfs/dbraw/zinc/55/51/72/454555172.db2.gz IQTIKUWOQSFXIA-KRWDZBQOSA-N 1 0 337.467 3.215 50 0 EGAARO Cc1ccccc1-c1ncc(C[N@@H+](C)CC2(CO)CCOCC2)s1 ZINC000065383539 454557729 /nfs/dbraw/zinc/55/77/29/454557729.db2.gz OOHMDJKWHURAOG-UHFFFAOYSA-N 1 0 346.496 3.339 50 0 EGAARO Cc1cc(C[C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)[nH]n1 ZINC000065403999 454559775 /nfs/dbraw/zinc/55/97/75/454559775.db2.gz AYMLBNQABINBKO-CQSZACIVSA-N 1 0 328.460 3.309 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)Cn2ccc3ccccc32)CC1 ZINC000065434479 454566828 /nfs/dbraw/zinc/56/68/28/454566828.db2.gz IKRMPENDLXTFII-INIZCTEOSA-N 1 0 327.472 3.266 50 0 EGAARO CCc1ccc2oc(=O)cc(C[N@H+]3CC=C(c4cnn(C)c4)CC3)c2c1 ZINC000065457986 454570031 /nfs/dbraw/zinc/57/00/31/454570031.db2.gz KCGSDEZLJOPTNS-UHFFFAOYSA-N 1 0 349.434 3.378 50 0 EGAARO C[C@@H]1CCCN(C(=O)CC[NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000065466586 454571963 /nfs/dbraw/zinc/57/19/63/454571963.db2.gz RTDYTPYVNCETFR-QGZVFWFLSA-N 1 0 342.483 3.230 50 0 EGAARO CCc1cccc(N2CCC([NH2+]Cc3c(C)nn(C)c3OC)CC2)c1 ZINC000065474348 454572635 /nfs/dbraw/zinc/57/26/35/454572635.db2.gz XVRUVYSDNPTXSI-UHFFFAOYSA-N 1 0 342.487 3.058 50 0 EGAARO C[C@@H](Cc1cccs1)Nc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065507066 454579209 /nfs/dbraw/zinc/57/92/09/454579209.db2.gz CUDQYPYEUWERQN-JTQLQIEISA-N 1 0 330.482 3.442 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000174485499 455396960 /nfs/dbraw/zinc/39/69/60/455396960.db2.gz CBFZNPZUURROMF-UHFFFAOYSA-N 1 0 344.377 3.322 50 0 EGAARO COc1ccccc1OCCC[N@@H+]1CC[C@@H](n2nc(C)cc2C)C1 ZINC000252510227 455818584 /nfs/dbraw/zinc/81/85/84/455818584.db2.gz ZFBZIVSJCXSGCG-QGZVFWFLSA-N 1 0 329.444 3.224 50 0 EGAARO CC1=CCC/C(C)=C/[C@@H](O)[C@@H]2[C@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000252694738 455828860 /nfs/dbraw/zinc/82/88/60/455828860.db2.gz PBRLWNMMGXHHMD-FMCPDBIMSA-N 1 0 333.472 3.068 50 0 EGAARO C[C@H](Oc1ccccc1)C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261642735 455920202 /nfs/dbraw/zinc/92/02/02/455920202.db2.gz DPQPVLVEMVASJD-KBXCAEBGSA-N 1 0 344.842 3.280 50 0 EGAARO O=C(c1ccsc1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225688574 456103973 /nfs/dbraw/zinc/10/39/73/456103973.db2.gz HWYVOIDUXXTJLX-UHFFFAOYSA-N 1 0 332.494 3.473 50 0 EGAARO COCc1cc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)ccc1OC ZINC000299769695 456779854 /nfs/dbraw/zinc/77/98/54/456779854.db2.gz PCZYYLVQYFGCNZ-YZGWKJHDSA-N 1 0 349.471 3.000 50 0 EGAARO CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2[nH]c3ccccc3c2C)C1 ZINC000534631746 459338866 /nfs/dbraw/zinc/33/88/66/459338866.db2.gz DYKRLWMOPLZCLG-HNNXBMFYSA-N 1 0 328.460 3.102 50 0 EGAARO C[C@@H](c1cccc(-c2ccc(NS(C)(=O)=O)nc2)c1)[NH+]1CCCC1 ZINC000534634721 459339630 /nfs/dbraw/zinc/33/96/30/459339630.db2.gz IOQYZHCXBMBRPR-AWEZNQCLSA-N 1 0 345.468 3.277 50 0 EGAARO Cc1c2ccccc2[nH]c1CN(C)C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000534635542 459340453 /nfs/dbraw/zinc/34/04/53/459340453.db2.gz SPZQSGUCALCLQM-CQSZACIVSA-N 1 0 328.460 3.102 50 0 EGAARO Fc1ccccc1N1CCC([NH2+]CC2(Cn3cccn3)CC2)CC1 ZINC000534670409 459344730 /nfs/dbraw/zinc/34/47/30/459344730.db2.gz XWSSUFGMUWWNHC-UHFFFAOYSA-N 1 0 328.435 3.061 50 0 EGAARO COc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000524729086 459384757 /nfs/dbraw/zinc/38/47/57/459384757.db2.gz CCGQPOPBYYLFCU-PKOBYXMFSA-N 1 0 345.487 3.101 50 0 biogenic EGAARO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000497145615 459458492 /nfs/dbraw/zinc/45/84/92/459458492.db2.gz KNZDRNCXWXBSCA-OLZOCXBDSA-N 1 0 332.448 3.344 50 0 EGAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC(F)(F)CC1 ZINC000584893128 459819909 /nfs/dbraw/zinc/81/99/09/459819909.db2.gz MHAIZGARTWOPQZ-ZDUSSCGKSA-N 1 0 343.443 3.153 50 0 EGAARO Cc1ccc(C2(NC(=O)N3CCC4(C3)CC[NH+](C)CC4)CC2)cc1 ZINC000584904039 459821567 /nfs/dbraw/zinc/82/15/67/459821567.db2.gz UHIRXTGPLONCSU-UHFFFAOYSA-N 1 0 327.472 3.111 50 0 EGAARO C[N@@H+]1CCCN(C(=O)Nc2ccccc2OCc2ccccc2)CC1 ZINC000299773742 523801948 /nfs/dbraw/zinc/80/19/48/523801948.db2.gz HUHBHYRAIKJBGE-UHFFFAOYSA-N 1 0 339.439 3.435 50 0 EGAARO [NH3+]C[C@@H]1CCCCN1C(=O)NCCc1c(Cl)cccc1Cl ZINC000417271515 547872620 /nfs/dbraw/zinc/87/26/20/547872620.db2.gz PEZHKTFDWSEIFI-NSHDSACASA-N 1 0 330.259 3.059 50 0 EGAARO CCc1nc(CC[NH2+]C2CCN(c3cccc(C)c3C)CC2)no1 ZINC000670439312 548215716 /nfs/dbraw/zinc/21/57/16/548215716.db2.gz XZPUHVAORPQELH-UHFFFAOYSA-N 1 0 328.460 3.050 50 0 EGAARO CN(Cc1cnc(N2CCCC2)s1)Cc1ccc2c(c1)OCO2 ZINC000670466089 548220243 /nfs/dbraw/zinc/22/02/43/548220243.db2.gz DJCFAYDZLGNDRL-UHFFFAOYSA-N 1 0 331.441 3.104 50 0 EGAARO O=c1[nH]ccn2nc(-c3ccc(F)cc3)c(C[NH+]3CCCCC3)c12 ZINC000263615715 564062894 /nfs/dbraw/zinc/06/28/94/564062894.db2.gz DTXZNJPPPURKQO-UHFFFAOYSA-N 1 0 326.375 3.227 50 0 EGAARO O=c1c2cccc(F)c2ncn1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000584884683 564131462 /nfs/dbraw/zinc/13/14/62/564131462.db2.gz AAHBEIBOTJJJIR-INIZCTEOSA-N 1 0 337.398 3.373 50 0 EGAARO Cc1c(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cnn1C ZINC000011772649 1291127681 /nfs/dbraw/zinc/12/76/81/1291127681.db2.gz TXOPAVTZGSOWIW-UHFFFAOYSA-N 1 0 341.499 3.326 50 0 EGAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2ccon2)C1 ZINC000011771846 1291127738 /nfs/dbraw/zinc/12/77/38/1291127738.db2.gz BPXOSEPDYGUWEU-SFHVURJKSA-N 1 0 327.472 3.370 50 0 EGAARO CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3OC3CCCC3)C2)C1=O ZINC000012612079 1291133227 /nfs/dbraw/zinc/13/32/27/1291133227.db2.gz YROGZGADZZWSTP-NRFANRHFSA-N 1 0 342.483 3.452 50 0 EGAARO CC1(C)C[C@@H](C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)CCO1 ZINC000015065909 1291145947 /nfs/dbraw/zinc/14/59/47/1291145947.db2.gz DOSDCYQAYNMMJO-SFHVURJKSA-N 1 0 336.520 3.306 50 0 EGAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000019223901 1291192435 /nfs/dbraw/zinc/19/24/35/1291192435.db2.gz MBDIMPDJUNKOEU-ZWFBASDOSA-N 1 0 338.455 3.091 50 0 EGAARO N#Cc1ccc(C[NH+]2CCC(n3cc(-c4cccnc4)nn3)CC2)cc1 ZINC000048130318 1291596613 /nfs/dbraw/zinc/59/66/13/1291596613.db2.gz IBKRIRVUVKTKAW-UHFFFAOYSA-N 1 0 344.422 3.049 50 0 EGAARO Cc1ccc(C)c(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccoc3)C2)c1 ZINC000827848265 1292386678 /nfs/dbraw/zinc/38/66/78/1292386678.db2.gz ABHWLLOQQOLTNB-SFHVURJKSA-N 1 0 340.467 3.467 50 0 EGAARO COc1ccccc1CC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000824815240 1320287479 /nfs/dbraw/zinc/28/74/79/1320287479.db2.gz DPADRZDPFZCQNE-INIZCTEOSA-N 1 0 344.480 3.080 50 0 EGAARO C[N@@H+](Cc1cccnc1)C[C@H]1CC[C@@H](Cc2ccc(Cl)cn2)O1 ZINC000952854517 1334581473 /nfs/dbraw/zinc/58/14/73/1334581473.db2.gz NNQZNSTVBFNEDU-ZWKOTPCHSA-N 1 0 331.847 3.352 50 0 EGAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1ccc(O)cc1 ZINC000952980924 1334629384 /nfs/dbraw/zinc/62/93/84/1334629384.db2.gz YCBRDXNCVYAWQY-IBGZPJMESA-N 1 0 342.439 3.465 50 0 EGAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccco2)CC1)c1ccc(O)cc1 ZINC000952980946 1334630120 /nfs/dbraw/zinc/63/01/20/1334630120.db2.gz YCBRDXNCVYAWQY-LJQANCHMSA-N 1 0 342.439 3.465 50 0 EGAARO CC(=O)c1[nH]c(C)c(C(=O)N(C)[C@H](C[NH+](C)C)c2ccccc2)c1C ZINC000952990915 1334631966 /nfs/dbraw/zinc/63/19/66/1334631966.db2.gz XPDNBWHSZMCHSV-QGZVFWFLSA-N 1 0 341.455 3.209 50 0 EGAARO COc1ccc2ccccc2c1C[N@H+](C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704297537 1416433007 /nfs/dbraw/zinc/43/30/07/1416433007.db2.gz BBQLWQORWLDVOI-IXDOHACOSA-N 1 0 338.451 3.195 50 0 EGAARO C[C@]1(O)CCOC2(CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)C1 ZINC001704314807 1416439953 /nfs/dbraw/zinc/43/99/53/1416439953.db2.gz TXBBLWLOSGOLRC-INIZCTEOSA-N 1 0 327.827 3.375 50 0 EGAARO Cc1nc[nH]c1CN(CC[NH+](C)C)Cc1c(Cl)ccc(C)c1F ZINC001704324536 1416444722 /nfs/dbraw/zinc/44/47/22/1416444722.db2.gz ANMWGHSOLNSRIO-UHFFFAOYSA-N 1 0 338.858 3.383 50 0 EGAARO c1cc(SCc2nnc(NCC[NH+]3CCCCCC3)o2)ccn1 ZINC001772708666 1441417033 /nfs/dbraw/zinc/41/70/33/1441417033.db2.gz DYXKQJFTYIJCIO-UHFFFAOYSA-N 1 0 333.461 3.045 50 0 EGAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)Cc1ccc(O)c(Cl)c1 ZINC001772712739 1441417249 /nfs/dbraw/zinc/41/72/49/1441417249.db2.gz PHYXWJHSLSGERU-UHFFFAOYSA-N 1 0 338.879 3.359 50 0 EGAARO CCCOc1cc(Cl)c(C[N@H+]2C[C@@H]3[C@H](O)C[C@@H]3C2)cc1OCC ZINC001772711674 1441417338 /nfs/dbraw/zinc/41/73/38/1441417338.db2.gz CMSNLVHIQWGYJK-IVMMDQJWSA-N 1 0 339.863 3.340 50 0 EGAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1C[NH+]1CCCC1 ZINC000097619158 219041642 /nfs/dbraw/zinc/04/16/42/219041642.db2.gz FJVJJBXBLBFAEZ-GOSISDBHSA-N 1 0 346.471 3.120 50 0 EGAARO FC(F)(F)c1cccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000097743120 219053258 /nfs/dbraw/zinc/05/32/58/219053258.db2.gz ODFYQYWKILKNHY-KRWDZBQOSA-N 1 0 342.405 3.392 50 0 EGAARO COc1ccccc1-c1cccc(NC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000097743220 219053425 /nfs/dbraw/zinc/05/34/25/219053425.db2.gz XBMLOIZVBYFWFZ-HOCLYGCPSA-N 1 0 343.402 3.184 50 0 EGAARO CC(=O)Oc1c(C)cc(C[N@@H+]2CCC[C@H]2Cn2cccn2)cc1C ZINC000055119175 214276671 /nfs/dbraw/zinc/27/66/71/214276671.db2.gz RHCZRWQRVHXXST-SFHVURJKSA-N 1 0 327.428 3.090 50 0 EGAARO CCn1cc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)c(C)n1 ZINC000055211268 214287997 /nfs/dbraw/zinc/28/79/97/214287997.db2.gz WTGJDOHRQASKSX-GOSISDBHSA-N 1 0 348.454 3.231 50 0 EGAARO Fc1ccc(CN2CCC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000055252632 214295652 /nfs/dbraw/zinc/29/56/52/214295652.db2.gz VVVZZFPAHRYHDR-FQEVSTJZSA-N 1 0 332.463 3.293 50 0 EGAARO Cc1ccccc1CN(CC[NH+](C)C)Cc1cnc(NC(C)C)nc1 ZINC000055326184 214308058 /nfs/dbraw/zinc/30/80/58/214308058.db2.gz DXPZMVBSZNWDQE-UHFFFAOYSA-N 1 0 341.503 3.169 50 0 EGAARO CC[NH+](CC)CCNC(=O)c1csc(Nc2ccc(C)cc2)n1 ZINC000004675251 210243257 /nfs/dbraw/zinc/24/32/57/210243257.db2.gz LRZLFAYFXKHUPN-UHFFFAOYSA-N 1 0 332.473 3.267 50 0 EGAARO Cc1cc(C)c(C)c(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000004477765 210198993 /nfs/dbraw/zinc/19/89/93/210198993.db2.gz KSJNOJWKKCSXDV-UHFFFAOYSA-N 1 0 332.488 3.416 50 0 EGAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(C)Cc2noc(C)n2)cc1 ZINC000065490903 214930477 /nfs/dbraw/zinc/93/04/77/214930477.db2.gz OFBVJEHUKZPEHV-UHFFFAOYSA-N 1 0 344.459 3.272 50 0 EGAARO COc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000004028921 210103429 /nfs/dbraw/zinc/10/34/29/210103429.db2.gz XOWYEHSBYWUGHB-JKSUJKDBSA-N 1 0 333.428 3.125 50 0 biogenic EGAARO CN(C)c1cc(NC(=O)C[NH2+]C2CCCCC2)c2ccccc2n1 ZINC000004018671 210101151 /nfs/dbraw/zinc/10/11/51/210101151.db2.gz SCRNNWYHBJUUMB-UHFFFAOYSA-N 1 0 326.444 3.162 50 0 EGAARO COc1ccc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1CO ZINC000067587560 215164651 /nfs/dbraw/zinc/16/46/51/215164651.db2.gz BQPJYHCZEKLYTO-OAHLLOKOSA-N 1 0 327.424 3.248 50 0 EGAARO CC[C@H](NC(=O)c1ccco1)C1=CCC[N@H+](Cc2ccccn2)C1 ZINC000067834081 215224100 /nfs/dbraw/zinc/22/41/00/215224100.db2.gz KWWOEOZURHNISZ-KRWDZBQOSA-N 1 0 325.412 3.015 50 0 EGAARO Cn1nc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n(-c2ccccc2)c1=O ZINC000067842140 215227575 /nfs/dbraw/zinc/22/75/75/215227575.db2.gz ZKILKYKQBPXANR-INIZCTEOSA-N 1 0 340.471 3.083 50 0 EGAARO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)c3c(F)cccc3F)C2)oc1C ZINC000067884824 215241282 /nfs/dbraw/zinc/24/12/82/215241282.db2.gz JADKHFSLNHJUMR-CQSZACIVSA-N 1 0 348.393 3.427 50 0 EGAARO COc1ccc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)c2ccccc12 ZINC000104304340 219373447 /nfs/dbraw/zinc/37/34/47/219373447.db2.gz FJFJVLYBTMEOOT-GOSISDBHSA-N 1 0 342.483 3.125 50 0 EGAARO Cc1ccc([C@@H](CNC(=O)[C@H]2C[C@@H]2c2ccco2)[NH+]2CCCC2)o1 ZINC000069347950 215382155 /nfs/dbraw/zinc/38/21/55/215382155.db2.gz UKCKKXRUHBCARY-HRCADAONSA-N 1 0 328.412 3.238 50 0 EGAARO CCNc1nc(NCCNC(=O)Nc2ccc(C)cc2C)cc(C)[nH+]1 ZINC000072115653 216011464 /nfs/dbraw/zinc/01/14/64/216011464.db2.gz NFMISZAWVYDHRT-UHFFFAOYSA-N 1 0 342.447 3.067 50 0 EGAARO O=C(CC[N@H+]1CCC[C@H](CCc2ccc(F)cc2)C1)N1CCCC1 ZINC000072121730 216014969 /nfs/dbraw/zinc/01/49/69/216014969.db2.gz GOAYREXTKWRBRZ-GOSISDBHSA-N 1 0 332.463 3.483 50 0 EGAARO COc1ccnc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072140504 216027494 /nfs/dbraw/zinc/02/74/94/216027494.db2.gz TYFQQPLLCCYAMD-BHDDXSALSA-N 1 0 349.478 3.152 50 0 EGAARO COc1ccccc1OC1CC[NH+](Cc2cnn(C)c2C2CC2)CC1 ZINC000072145909 216032731 /nfs/dbraw/zinc/03/27/31/216032731.db2.gz USLFHOSPJNYJCW-UHFFFAOYSA-N 1 0 341.455 3.350 50 0 EGAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000072150061 216038417 /nfs/dbraw/zinc/03/84/17/216038417.db2.gz LSHWIQFBAMIWAJ-OAHLLOKOSA-N 1 0 344.377 3.466 50 0 EGAARO Cc1cccc(N2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000072148417 216035068 /nfs/dbraw/zinc/03/50/68/216035068.db2.gz FTWALWUGDVOYMV-PZJWPPBQSA-N 1 0 327.516 3.382 50 0 EGAARO O=C(c1c[nH]nc1-c1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000072328765 216153017 /nfs/dbraw/zinc/15/30/17/216153017.db2.gz KSGDZWZLBCUDCQ-UHFFFAOYSA-N 1 0 344.484 3.229 50 0 EGAARO c1cn([C@@H]2CC[NH2+]C2)c(-c2cnc(SCc3ccccc3)nc2)n1 ZINC000072411594 216203608 /nfs/dbraw/zinc/20/36/08/216203608.db2.gz WMECOCDHQLUFEV-MRXNPFEDSA-N 1 0 337.452 3.167 50 0 EGAARO CN1CC2(CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)OC1=O ZINC000072419035 216207597 /nfs/dbraw/zinc/20/75/97/216207597.db2.gz BPSWDULBAMZQQD-UHFFFAOYSA-N 1 0 328.334 3.122 50 0 EGAARO O=C(c1ccccc1O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000072425555 216216213 /nfs/dbraw/zinc/21/62/13/216216213.db2.gz GAYPRLXJIHLYFR-UHFFFAOYSA-N 1 0 338.451 3.173 50 0 EGAARO O=C1CC[C@H]2C[N@H+](Cc3ccco3)CC[C@H]2N1CCc1cccs1 ZINC000072474529 216251227 /nfs/dbraw/zinc/25/12/27/216251227.db2.gz SPVOFIOFNRXHIX-MAUKXSAKSA-N 1 0 344.480 3.397 50 0 EGAARO CCOc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000023105541 212347861 /nfs/dbraw/zinc/34/78/61/212347861.db2.gz DNIYYCMXUYDDSB-MRXNPFEDSA-N 1 0 332.469 3.108 50 0 EGAARO CSCC[NH+]1CCC(NC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000215348219 241120382 /nfs/dbraw/zinc/12/03/82/241120382.db2.gz PZUDABCXDLJHGK-INIZCTEOSA-N 1 0 332.513 3.050 50 0 EGAARO Cc1cc2c(cc1C[NH+]1CCC(Oc3cccnc3)CC1)OCCO2 ZINC000215210128 241111381 /nfs/dbraw/zinc/11/13/81/241111381.db2.gz COKRNBFEOOBDOC-UHFFFAOYSA-N 1 0 340.423 3.205 50 0 EGAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1cc(F)ccc1-n1cccn1 ZINC000215889161 241154270 /nfs/dbraw/zinc/15/42/70/241154270.db2.gz NAQOAMHELFCQDS-UHFFFAOYSA-N 1 0 325.391 3.244 50 0 EGAARO COc1ccc(OC[C@@H]2CCC[N@H+](Cc3ccc(OC)nc3)C2)cc1 ZINC000216180688 241170217 /nfs/dbraw/zinc/17/02/17/241170217.db2.gz SXJPSGYWLALQMN-QGZVFWFLSA-N 1 0 342.439 3.390 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000216244330 241177357 /nfs/dbraw/zinc/17/73/57/241177357.db2.gz AYFZTJNWXBBOQF-MRXNPFEDSA-N 1 0 337.467 3.391 50 0 EGAARO COc1ccc(-n2cccn2)c(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000215368889 241122299 /nfs/dbraw/zinc/12/22/99/241122299.db2.gz DQZCQJBQPMLEQJ-UHFFFAOYSA-N 1 0 334.423 3.441 50 0 EGAARO COc1ccc(-c2ncc(C[N@H+](C)CC3CCOCC3)cn2)cc1 ZINC000215554539 241132145 /nfs/dbraw/zinc/13/21/45/241132145.db2.gz HXRLDMUNHPWWDM-UHFFFAOYSA-N 1 0 327.428 3.011 50 0 EGAARO COc1ccc2cc([C@H](C)NC(=O)CC3CC[NH2+]CC3)ccc2c1 ZINC000215663667 241138255 /nfs/dbraw/zinc/13/82/55/241138255.db2.gz HDDWLSUEGUALHP-AWEZNQCLSA-N 1 0 326.440 3.415 50 0 EGAARO Cc1ccc(CCNC(=O)C2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC000219364355 241382676 /nfs/dbraw/zinc/38/26/76/241382676.db2.gz WCFHSWKNPVUCPW-UHFFFAOYSA-N 1 0 342.508 3.379 50 0 EGAARO C[C@@H](CC(=O)NCCc1nc2cc(F)ccc2[nH]1)[NH+]1CCCCCC1 ZINC000244748841 243076281 /nfs/dbraw/zinc/07/62/81/243076281.db2.gz OPIRYERYUOMXLW-AWEZNQCLSA-N 1 0 346.450 3.015 50 0 EGAARO C[C@@H](Cc1cccnc1)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000020775467 212169783 /nfs/dbraw/zinc/16/97/83/212169783.db2.gz IKONYADKVIYWKW-LBPRGKRZSA-N 1 0 328.366 3.471 50 0 EGAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc3c(c1)OCO3)[NH2+]CC2 ZINC000020494351 212140761 /nfs/dbraw/zinc/14/07/61/212140761.db2.gz MMDMTPSUPYIQCD-HXUWFJFHSA-N 1 0 341.407 3.448 50 0 biogenic,in-vitro EGAARO CC(C)(C)C[N@@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020455143 212132288 /nfs/dbraw/zinc/13/22/88/212132288.db2.gz HNEAKKWMVUHQNZ-KRWDZBQOSA-N 1 0 329.488 3.083 50 0 EGAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccccc1OC(F)F)C2 ZINC000019773769 212064494 /nfs/dbraw/zinc/06/44/94/212064494.db2.gz JWFDDMFMHJEGDK-CQSZACIVSA-N 1 0 335.350 3.390 50 0 EGAARO Cc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000019537690 212041698 /nfs/dbraw/zinc/04/16/98/212041698.db2.gz CXAMJTCAKYRLBI-UHFFFAOYSA-N 1 0 338.451 3.350 50 0 EGAARO COc1ccc(-c2cn(C3CC[NH+]([C@H]4CCSC4)CC3)nn2)cc1 ZINC000019218845 212005731 /nfs/dbraw/zinc/00/57/31/212005731.db2.gz OPHFEWJXNVJWMY-INIZCTEOSA-N 1 0 344.484 3.096 50 0 EGAARO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cn1 ZINC000012453472 211385885 /nfs/dbraw/zinc/38/58/85/211385885.db2.gz CSQHVKRJAQLYKC-HXUWFJFHSA-N 1 0 337.467 3.217 50 0 EGAARO CN(c1nncc(-c2ccccc2F)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012300271 211336980 /nfs/dbraw/zinc/33/69/80/211336980.db2.gz XTSSOOZSWNHPIS-UHFFFAOYSA-N 1 0 343.450 3.423 50 0 EGAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1Cl)c1ccc2c(c1)OCO2 ZINC000012196423 211316872 /nfs/dbraw/zinc/31/68/72/211316872.db2.gz BCEWGWGVAIJVLY-OAHLLOKOSA-N 1 0 346.814 3.101 50 0 EGAARO Cc1cccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccc(F)cc2)n1 ZINC000011980474 211275907 /nfs/dbraw/zinc/27/59/07/211275907.db2.gz XYSPHASUVFAGDD-LJQANCHMSA-N 1 0 341.430 3.200 50 0 EGAARO Cc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccc(F)cc2)n1 ZINC000011980481 211275538 /nfs/dbraw/zinc/27/55/38/211275538.db2.gz XYSPHASUVFAGDD-IBGZPJMESA-N 1 0 341.430 3.200 50 0 EGAARO CCCCNC(=O)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011938648 211273028 /nfs/dbraw/zinc/27/30/28/211273028.db2.gz YHZLESVNTUFTLZ-LJQANCHMSA-N 1 0 344.503 3.125 50 0 EGAARO Cc1cc(OCC(=O)NCC2([NH+](C)C)CCCCC2)ccc1Cl ZINC000011916218 211268527 /nfs/dbraw/zinc/26/85/27/211268527.db2.gz ZINDLUGGIKUBHX-UHFFFAOYSA-N 1 0 338.879 3.408 50 0 EGAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c(F)c1 ZINC000091526478 218017850 /nfs/dbraw/zinc/01/78/50/218017850.db2.gz KVHHPNTWAOJDIE-IAGOWNOFSA-N 1 0 330.447 3.471 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](CCc3ccccc3F)C2)CC1 ZINC000011842245 211256369 /nfs/dbraw/zinc/25/63/69/211256369.db2.gz ZRLJSBWBFDHESI-QGZVFWFLSA-N 1 0 332.463 3.481 50 0 EGAARO O=C(CCc1ccncc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011821314 211252541 /nfs/dbraw/zinc/25/25/41/211252541.db2.gz VWXXBFBFIMQVFS-GOSISDBHSA-N 1 0 329.488 3.318 50 0 EGAARO Cc1nc(C)c(Cn2cc(-c3cc(C[NH+](C)C)cs3)nn2)s1 ZINC000091769593 218062412 /nfs/dbraw/zinc/06/24/12/218062412.db2.gz PMTMXYDHKFURLE-UHFFFAOYSA-N 1 0 333.486 3.190 50 0 EGAARO CC(=O)c1ccc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)nc1 ZINC000092004034 218101972 /nfs/dbraw/zinc/10/19/72/218101972.db2.gz FYUOWYKEKZIERF-UYAOXDASSA-N 1 0 335.451 3.385 50 0 EGAARO CC[C@@]1(CO)CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000092021875 218106133 /nfs/dbraw/zinc/10/61/33/218106133.db2.gz ZKYRCPXCFDNPMA-OAQYLSRUSA-N 1 0 339.435 3.495 50 0 EGAARO COc1cccc2cc(C(=O)NCCC[NH+]3CCC(C)CC3)oc21 ZINC000010540957 211180096 /nfs/dbraw/zinc/18/00/96/211180096.db2.gz AYTGEVFUNLGUDZ-UHFFFAOYSA-N 1 0 330.428 3.293 50 0 EGAARO CCc1cc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)on1 ZINC000095357379 218290544 /nfs/dbraw/zinc/29/05/44/218290544.db2.gz QMSGQGCZENBDBR-PKOBYXMFSA-N 1 0 325.456 3.333 50 0 EGAARO C[C@H](NC(=O)C1CC[NH+](C2CCCCC2)CC1)[C@H](O)c1ccccc1 ZINC000095366078 218299408 /nfs/dbraw/zinc/29/94/08/218299408.db2.gz YSBRKKWTKXQISC-JXFKEZNVSA-N 1 0 344.499 3.269 50 0 EGAARO O=C(NCc1ccc(F)cc1F)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095366046 218299548 /nfs/dbraw/zinc/29/95/48/218299548.db2.gz LTJABVKUEPXGKA-AWEZNQCLSA-N 1 0 334.366 3.086 50 0 EGAARO COC1(c2ccccc2)CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000095361226 218294570 /nfs/dbraw/zinc/29/45/70/218294570.db2.gz XQZGQBFBHSOODS-LJQANCHMSA-N 1 0 344.499 3.415 50 0 EGAARO Cc1ccc2[nH]c([C@H](C)NC(=O)CCC[NH+]3CCCCC3)nc2c1 ZINC000095362533 218296045 /nfs/dbraw/zinc/29/60/45/218296045.db2.gz NWURUBMALCPVKT-HNNXBMFYSA-N 1 0 328.460 3.315 50 0 EGAARO CCCCSc1nc(N)cc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000095372311 218305569 /nfs/dbraw/zinc/30/55/69/218305569.db2.gz CBHDLBLATXGXLF-CQSZACIVSA-N 1 0 335.521 3.016 50 0 EGAARO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(Br)cc1 ZINC000095829775 218448488 /nfs/dbraw/zinc/44/84/88/218448488.db2.gz SEKSWSYUCLOSGX-UHFFFAOYSA-N 1 0 329.238 3.063 50 0 EGAARO Cc1ccc([C@H](NC(=O)C2CC[NH+](C)CC2)c2cccnc2)c(C)c1 ZINC000097334220 219012938 /nfs/dbraw/zinc/01/29/38/219012938.db2.gz YTAXMCJTLKXDHV-HXUWFJFHSA-N 1 0 337.467 3.246 50 0 EGAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1CCCC(C)(C)C1)CC3 ZINC000004860109 210305691 /nfs/dbraw/zinc/30/56/91/210305691.db2.gz OFYVQEBEYUQUIE-UHFFFAOYSA-N 1 0 339.483 3.483 50 0 EGAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000004865653 210304513 /nfs/dbraw/zinc/30/45/13/210304513.db2.gz IPLAQDHNOPLIEJ-GUTXKFCHSA-N 1 0 342.277 3.452 50 0 EGAARO Cc1cc(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnc1C ZINC000097394100 219022018 /nfs/dbraw/zinc/02/20/18/219022018.db2.gz RALADMYZKBPJKV-LJQANCHMSA-N 1 0 337.467 3.340 50 0 EGAARO CC(C)(C)[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)c(CO)c1 ZINC000004775008 210276076 /nfs/dbraw/zinc/27/60/76/210276076.db2.gz ICDQPCBDGAHBGG-SFHVURJKSA-N 1 0 329.440 3.179 50 0 in-vitro EGAARO c1cnn(Cc2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cc2)c1 ZINC000097570986 219036686 /nfs/dbraw/zinc/03/66/86/219036686.db2.gz LLJFFGYEZGHLFW-LJQANCHMSA-N 1 0 333.439 3.101 50 0 EGAARO Cc1nn(CCC(N)=O)c(C)c1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426368368 257970808 /nfs/dbraw/zinc/97/08/08/257970808.db2.gz XJRZSPFNHWQUCS-HNNXBMFYSA-N 1 0 340.471 3.199 50 0 EGAARO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000299776444 258086452 /nfs/dbraw/zinc/08/64/52/258086452.db2.gz BRAADSOMZDYUTR-CYBMUJFWSA-N 1 0 346.862 3.330 50 0 EGAARO Cc1ncn(C)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299777315 258087308 /nfs/dbraw/zinc/08/73/08/258087308.db2.gz DMELHLJWSIODPR-SFHVURJKSA-N 1 0 340.471 3.076 50 0 EGAARO CC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000299781535 258090154 /nfs/dbraw/zinc/09/01/54/258090154.db2.gz OOOQBPJUNZASCE-INIZCTEOSA-N 1 0 328.456 3.274 50 0 EGAARO O=C(NCCc1nc2ccccc2o1)C1CC[NH+](C2CCCC2)CC1 ZINC000299759550 258076922 /nfs/dbraw/zinc/07/69/22/258076922.db2.gz ONKQXRJXCVYJHX-UHFFFAOYSA-N 1 0 341.455 3.141 50 0 EGAARO CC[NH+]1CCN(c2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000036618598 132391971 /nfs/dbraw/zinc/39/19/71/132391971.db2.gz FGROMDYFERMLKG-UHFFFAOYSA-N 1 0 342.390 3.366 50 0 EGAARO CN(Cc1ccoc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000339866287 155009037 /nfs/dbraw/zinc/00/90/37/155009037.db2.gz IRDHDLCHULRGFS-GOSISDBHSA-N 1 0 327.428 3.086 50 0 EGAARO Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000195520686 266187026 /nfs/dbraw/zinc/18/70/26/266187026.db2.gz NLTQDNZROSORDJ-KRWDZBQOSA-N 1 0 340.471 3.100 50 0 EGAARO Cc1c(C)n(C[C@H](O)C[NH2+]C[C@@H]2CCCO2)c2c1cccc2Cl ZINC000028296740 274660795 /nfs/dbraw/zinc/66/07/95/274660795.db2.gz KWEHSTSZMZGFJG-CABCVRRESA-N 1 0 336.863 3.041 50 0 EGAARO Cc1cc(C(F)(F)F)cc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067588980 274682196 /nfs/dbraw/zinc/68/21/96/274682196.db2.gz TULDJKZUKYOUCB-GFCCVEGCSA-N 1 0 326.293 3.477 50 0 EGAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](CCc1ccccn1)C2 ZINC000067772272 275060556 /nfs/dbraw/zinc/06/05/56/275060556.db2.gz CTIHSJJGVIWUGN-UHFFFAOYSA-N 1 0 347.418 3.286 50 0 EGAARO CC(C)C[NH+]1CCC([C@@H]2CCN(C(=O)CCc3ccco3)C2)CC1 ZINC000011815953 277386768 /nfs/dbraw/zinc/38/67/68/277386768.db2.gz IEKCKJPNFGQWNI-GOSISDBHSA-N 1 0 332.488 3.429 50 0 EGAARO COc1ccc([C@H]2[NH2+]Cc3cc4c(cc3-n3cccc32)OCO4)cc1 ZINC000055231419 277936164 /nfs/dbraw/zinc/93/61/64/277936164.db2.gz APCVINUTCNMXFR-HXUWFJFHSA-N 1 0 334.375 3.407 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1ccco1)Cc1ccccc1Cn1cccn1 ZINC000055392926 280148082 /nfs/dbraw/zinc/14/80/82/280148082.db2.gz NSDRVLKVYKFUQH-IBGZPJMESA-N 1 0 339.439 3.298 50 0 EGAARO Cc1ccc(NC2(C(=O)N(C)C[C@@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC000065381139 301646363 /nfs/dbraw/zinc/64/63/63/301646363.db2.gz MINZQGIUCRZRCR-QGZVFWFLSA-N 1 0 329.488 3.178 50 0 EGAARO CCN(CC[NH+](CC)CC)C(=O)NCc1c(F)ccc(C)c1F ZINC000426415405 457826984 /nfs/dbraw/zinc/82/69/84/457826984.db2.gz NTJNWAOYIGCTAF-UHFFFAOYSA-N 1 0 327.419 3.147 50 0 EGAARO [NH3+][C@H]1CC[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)CC1 ZINC000244584392 455276107 /nfs/dbraw/zinc/27/61/07/455276107.db2.gz CYLDEEZZSYEZEV-WSTZPKSXSA-N 1 0 338.451 3.105 50 0 EGAARO CCOc1cc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)ccc1O ZINC000000034449 452494144 /nfs/dbraw/zinc/49/41/44/452494144.db2.gz KODKHELZSJNQSI-LJQANCHMSA-N 1 0 329.396 3.043 50 0 biogenic EGAARO C[NH+](C)CCOc1nc(-c2ccco2)nnc1-c1ccc(Cl)cc1 ZINC000000978203 452639152 /nfs/dbraw/zinc/63/91/52/452639152.db2.gz CURBCHDLSHTOBT-UHFFFAOYSA-N 1 0 344.802 3.392 50 0 EGAARO Cc1cccc2[nH]c3c(ncn(CC[NH+](C(C)C)C(C)C)c3=O)c21 ZINC000002446299 452697675 /nfs/dbraw/zinc/69/76/75/452697675.db2.gz MFHQIAAGRLQFBH-UHFFFAOYSA-N 1 0 326.444 3.305 50 0 EGAARO Cc1cc(C)cc(NC(=O)CC[N@H+](CCO)Cc2ccccc2)c1 ZINC000002765310 452721172 /nfs/dbraw/zinc/72/11/72/452721172.db2.gz XNXJPBOOLXUJOR-UHFFFAOYSA-N 1 0 326.440 3.127 50 0 EGAARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000002966460 452737897 /nfs/dbraw/zinc/73/78/97/452737897.db2.gz PFKFMFUVAJHESP-FQEVSTJZSA-N 1 0 325.407 3.394 50 0 EGAARO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000005704740 452897539 /nfs/dbraw/zinc/89/75/39/452897539.db2.gz XTAPEXJSXXXHNG-GOSISDBHSA-N 1 0 342.439 3.229 50 0 EGAARO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@@H+](C)C1CCN(C)CC1)c2=O ZINC000008717430 453226637 /nfs/dbraw/zinc/22/66/37/453226637.db2.gz AUAYGJOWVZKOBH-UHFFFAOYSA-N 1 0 327.472 3.392 50 0 EGAARO COc1ccc2cc(C[NH2+]C(C)C)c(N3CCSCC3)nc2c1 ZINC000012005104 453341295 /nfs/dbraw/zinc/34/12/95/453341295.db2.gz NEUUAIFRQRWYCS-UHFFFAOYSA-N 1 0 331.485 3.295 50 0 EGAARO COc1ccc(F)c(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000012717294 453393091 /nfs/dbraw/zinc/39/30/91/453393091.db2.gz FBEWICNOWISBPM-HXUWFJFHSA-N 1 0 346.446 3.059 50 0 EGAARO CCC[NH+]1CCN(C(=O)c2c(OCC)ccc3ccccc32)CC1 ZINC000013326854 453457156 /nfs/dbraw/zinc/45/71/56/453457156.db2.gz QJQLNKHNSZUKET-UHFFFAOYSA-N 1 0 326.440 3.406 50 0 EGAARO Cc1cccc(N2C(=O)C[C@@H](SC(=[NH2+])Nc3ccccc3)C2=O)c1 ZINC000013556135 453470897 /nfs/dbraw/zinc/47/08/97/453470897.db2.gz ZEJNZKHCAPAIKW-OAHLLOKOSA-N 1 0 339.420 3.407 50 0 EGAARO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013680490 453480808 /nfs/dbraw/zinc/48/08/08/453480808.db2.gz WILHBFWILGBUFK-UHFFFAOYSA-N 1 0 338.407 3.306 50 0 EGAARO CCN1C[C@@H](C[N@H+](C)Cc2nc(-c3ccc(F)cc3)oc2C)CC1=O ZINC000014961080 453549578 /nfs/dbraw/zinc/54/95/78/453549578.db2.gz ZDTIMGZNVIKBIB-CQSZACIVSA-N 1 0 345.418 3.089 50 0 EGAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1C1Cc2ccccc2C1 ZINC000015068472 453553004 /nfs/dbraw/zinc/55/30/04/453553004.db2.gz OBDDFGNLAHNGCE-HXUWFJFHSA-N 1 0 334.463 3.325 50 0 EGAARO Cc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071104 453554501 /nfs/dbraw/zinc/55/45/01/453554501.db2.gz ZRSYQHOEDIEXQJ-GOSISDBHSA-N 1 0 344.478 3.244 50 0 EGAARO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016580828 453612998 /nfs/dbraw/zinc/61/29/98/453612998.db2.gz ZMJNPAJKLVGAKN-LJQANCHMSA-N 1 0 332.488 3.450 50 0 EGAARO Cc1ccc(SC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020384897 453665355 /nfs/dbraw/zinc/66/53/55/453665355.db2.gz KVBRPRFWNQJPTN-LJQANCHMSA-N 1 0 342.508 3.270 50 0 EGAARO COc1ccc(CC[NH+]2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000025829976 453787543 /nfs/dbraw/zinc/78/75/43/453787543.db2.gz REGIQBRFDRFMKZ-UHFFFAOYSA-N 1 0 338.451 3.132 50 0 EGAARO Cc1cccc2[nH]c(C3CCN(C(=O)[C@H]4CCCC[N@H+]4C)CC3)nc21 ZINC000082127185 453925592 /nfs/dbraw/zinc/92/55/92/453925592.db2.gz QNZARYAVOOXYJL-QGZVFWFLSA-N 1 0 340.471 3.062 50 0 EGAARO CN1CC[N@H+](C)CC12CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC000067713753 453960229 /nfs/dbraw/zinc/96/02/29/453960229.db2.gz GNWPRYBJGBYESQ-UHFFFAOYSA-N 1 0 344.890 3.104 50 0 EGAARO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2OC(F)F)C1)C1CCC1 ZINC000067724845 453960664 /nfs/dbraw/zinc/96/06/64/453960664.db2.gz VZCYPCKZAGYRGU-CYBMUJFWSA-N 1 0 338.398 3.026 50 0 EGAARO Ic1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042772986 454024932 /nfs/dbraw/zinc/02/49/32/454024932.db2.gz HXFFKURWPKAWEO-GFCCVEGCSA-N 1 0 331.197 3.202 50 0 EGAARO c1cc(C[NH+]2CCCC2)sc1CN1CCN(c2cccnc2)CC1 ZINC000077340882 454094012 /nfs/dbraw/zinc/09/40/12/454094012.db2.gz LSQDUZYZHQMTSF-UHFFFAOYSA-N 1 0 342.512 3.061 50 0 EGAARO COCC1(C(=O)N(C)CC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000077388008 454100914 /nfs/dbraw/zinc/10/09/14/454100914.db2.gz BRWBUVALTOZSSM-UHFFFAOYSA-N 1 0 344.499 3.174 50 0 EGAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077440531 454106274 /nfs/dbraw/zinc/10/62/74/454106274.db2.gz IQMLTJARSVZNGD-HXUWFJFHSA-N 1 0 328.456 3.062 50 0 EGAARO O[C@@]1(C[NH+]2CCCC2)CCCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000077470766 454109736 /nfs/dbraw/zinc/10/97/36/454109736.db2.gz PAVWOMUXNCVZCU-LJQANCHMSA-N 1 0 347.890 3.244 50 0 EGAARO CSc1ccccc1C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000077505029 454115523 /nfs/dbraw/zinc/11/55/23/454115523.db2.gz IUFMLVZWTUSZJP-GOSISDBHSA-N 1 0 334.529 3.485 50 0 EGAARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044932062 454127327 /nfs/dbraw/zinc/12/73/27/454127327.db2.gz HQUDUFCEMVIWDX-UHFFFAOYSA-N 1 0 326.415 3.354 50 0 EGAARO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000071385268 454205891 /nfs/dbraw/zinc/20/58/91/454205891.db2.gz VBTQRJBFWWVNKE-KRWDZBQOSA-N 1 0 346.471 3.146 50 0 EGAARO CC[C@H]1C[N@H+](CCc2ccccn2)CCC(=O)N1Cc1ccccc1 ZINC000071749169 454213499 /nfs/dbraw/zinc/21/34/99/454213499.db2.gz LFFXUKAPYOJDNS-FQEVSTJZSA-N 1 0 337.467 3.137 50 0 EGAARO CC[C@H]1C[N@H+](Cc2cccc(O)c2)CCC(=O)N1Cc1ccccc1 ZINC000071752499 454214853 /nfs/dbraw/zinc/21/48/53/454214853.db2.gz HIWICIYZNDVOCB-IBGZPJMESA-N 1 0 338.451 3.405 50 0 EGAARO CN1CCC(Cn2ccnc2-c2ccc3occc3c2)([NH+](C)C)CC1 ZINC000071771080 454216476 /nfs/dbraw/zinc/21/64/76/454216476.db2.gz MWNQZKPDDOLBEK-UHFFFAOYSA-N 1 0 338.455 3.322 50 0 EGAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1C(=O)c1ccccc1 ZINC000071769152 454217098 /nfs/dbraw/zinc/21/70/98/454217098.db2.gz ROWYEXCHDAXFOH-MRXNPFEDSA-N 1 0 327.424 3.045 50 0 EGAARO Cc1cc(C)c(CNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000095523455 454228227 /nfs/dbraw/zinc/22/82/27/454228227.db2.gz GFNQFYZUODRTQB-PKOBYXMFSA-N 1 0 329.488 3.359 50 0 EGAARO Cc1nnc(CN2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)s1 ZINC000095527877 454228515 /nfs/dbraw/zinc/22/85/15/454228515.db2.gz LYYHUCRRAKVTEV-QGZVFWFLSA-N 1 0 342.512 3.300 50 0 EGAARO Cc1nn(C)c2nc(NCC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)sc12 ZINC000095530197 454228596 /nfs/dbraw/zinc/22/85/96/454228596.db2.gz BTEQELFRRMBMSU-UONOGXRCSA-N 1 0 333.505 3.405 50 0 EGAARO Cc1noc2ncnc(N3CC[C@@H](C4CC[NH+](CC(C)C)CC4)C3)c12 ZINC000072146026 454272458 /nfs/dbraw/zinc/27/24/58/454272458.db2.gz LTFIYCZPBXEQRI-MRXNPFEDSA-N 1 0 343.475 3.121 50 0 EGAARO CN(C)C(=O)C[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072143514 454272621 /nfs/dbraw/zinc/27/26/21/454272621.db2.gz HWLNHAXNLJVOHZ-CQSZACIVSA-N 1 0 342.405 3.438 50 0 EGAARO C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)n1cccc1 ZINC000131879935 454293969 /nfs/dbraw/zinc/29/39/69/454293969.db2.gz QAMNOKFKOISLDT-IBGZPJMESA-N 1 0 339.483 3.216 50 0 EGAARO Cc1nn2c(nc(C)cc2NC[C@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000072410389 454296348 /nfs/dbraw/zinc/29/63/48/454296348.db2.gz DVWQDQXYMHPKNM-MRXNPFEDSA-N 1 0 339.443 3.497 50 0 EGAARO CC[C@@H](CO)[N@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1C ZINC000063871535 454457812 /nfs/dbraw/zinc/45/78/12/454457812.db2.gz FDJXNMPBQDIHMN-SFHVURJKSA-N 1 0 329.440 3.482 50 0 EGAARO Cc1ccc(C)c(NC(=O)Cn2cnc3cc4c(cc32)OCCO4)c1 ZINC000064794795 454505652 /nfs/dbraw/zinc/50/56/52/454505652.db2.gz SVOUICRCALKTLX-UHFFFAOYSA-N 1 0 337.379 3.063 50 0 EGAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000065372344 454555263 /nfs/dbraw/zinc/55/52/63/454555263.db2.gz CNTIAYXZVSROIW-KGLIPLIRSA-N 1 0 334.847 3.097 50 0 EGAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1Cc1ccccc1-c1ccccc1 ZINC000065376597 454556652 /nfs/dbraw/zinc/55/66/52/454556652.db2.gz JLYSEJQOLQNIOM-QUCCMNQESA-N 1 0 338.451 3.031 50 0 EGAARO C[N@H+](CCC[C@@H]1CCCO1)CC(=O)Nc1ccc(Cl)cc1F ZINC000065409316 454561970 /nfs/dbraw/zinc/56/19/70/454561970.db2.gz PQDBMWYBBUVLDV-CYBMUJFWSA-N 1 0 328.815 3.309 50 0 EGAARO Cn1cnnc1Sc1ccc(C[N@H+](C)C2Cc3ccccc3C2)o1 ZINC000065420416 454564581 /nfs/dbraw/zinc/56/45/81/454564581.db2.gz FPZFTQWFKGGQEY-UHFFFAOYSA-N 1 0 340.452 3.159 50 0 EGAARO Cc1cc2oc(=O)cc(CN3CCC[C@H]3C[NH+]3CCCC3)c2cc1C ZINC000065527693 454585648 /nfs/dbraw/zinc/58/56/48/454585648.db2.gz GVSDJSTYTKFMMG-SFHVURJKSA-N 1 0 340.467 3.470 50 0 EGAARO COc1ccccc1/C=C/CN1CC[N@H+](CCC(C)C)[C@H](CCO)C1 ZINC000105273597 454632414 /nfs/dbraw/zinc/63/24/14/454632414.db2.gz FHWLUPWASBPFNA-CPSHHHPTSA-N 1 0 346.515 3.123 50 0 EGAARO O=C(Cc1ccsc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000170636530 454945436 /nfs/dbraw/zinc/94/54/36/454945436.db2.gz MGMSKJSXBARNQE-UHFFFAOYSA-N 1 0 342.508 3.458 50 0 EGAARO COCCn1cncc1C[N@@H+]1CCC[C@H](Cc2ccc(F)cc2)C1 ZINC000252500573 455815186 /nfs/dbraw/zinc/81/51/86/455815186.db2.gz SXZXLPHYUZDAJT-QGZVFWFLSA-N 1 0 331.435 3.123 50 0 EGAARO CSc1ccc(CC(=O)N2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000219774352 456036677 /nfs/dbraw/zinc/03/66/77/456036677.db2.gz ZQSOMFGGKSSZMG-UHFFFAOYSA-N 1 0 341.480 3.003 50 0 EGAARO COCC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC000222853250 456051085 /nfs/dbraw/zinc/05/10/85/456051085.db2.gz ZLFZRVPXOYFACY-LJQANCHMSA-N 1 0 344.499 3.364 50 0 EGAARO CC[N@@H+](Cc1cnc(-c2ccc(OC)cc2)nc1)C[C@H]1CCCO1 ZINC000230466482 456138795 /nfs/dbraw/zinc/13/87/95/456138795.db2.gz QJZNKBIEJBTUNB-GOSISDBHSA-N 1 0 327.428 3.153 50 0 EGAARO CO[C@]12CC[N@H+](Cc3ncccc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426444870 457831522 /nfs/dbraw/zinc/83/15/22/457831522.db2.gz DUCUNXGATBZLMM-YSIASYRMSA-N 1 0 330.472 3.329 50 0 EGAARO Cc1noc(C)c1CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000426489875 457840559 /nfs/dbraw/zinc/84/05/59/457840559.db2.gz GMJRUPCEDPGGGI-UHFFFAOYSA-N 1 0 341.455 3.250 50 0 EGAARO C[C@@H](CCNc1ccc2cccc(Cl)c2n1)[NH+]1CCN(C)CC1 ZINC000534670090 478168991 /nfs/dbraw/zinc/16/89/91/478168991.db2.gz OBFYVZPHMYQARK-AWEZNQCLSA-N 1 0 332.879 3.326 50 0 EGAARO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000065372711 519579121 /nfs/dbraw/zinc/57/91/21/519579121.db2.gz UJCOCFZYYNDPHL-SFHVURJKSA-N 1 0 347.478 3.031 50 0 EGAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(c2ccccc2)CC1 ZINC000010113902 526668901 /nfs/dbraw/zinc/66/89/01/526668901.db2.gz FEAIATOVWHZKPL-UHFFFAOYSA-N 1 0 349.478 3.245 50 0 EGAARO CCc1cc(C[NH+]2CCC([C@@H](O)CCc3ccccc3)CC2)on1 ZINC000670435230 548215376 /nfs/dbraw/zinc/21/53/76/548215376.db2.gz QTVAZZCTTBAKIZ-FQEVSTJZSA-N 1 0 328.456 3.443 50 0 EGAARO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)c2cc(F)ccc2n1 ZINC000670465168 548220558 /nfs/dbraw/zinc/22/05/58/548220558.db2.gz KQLDSWPMPSJPGG-HOCLYGCPSA-N 1 0 341.430 3.239 50 0 EGAARO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1F ZINC000011715591 1291128408 /nfs/dbraw/zinc/12/84/08/1291128408.db2.gz SRMQZSZMFPPVHL-HXUWFJFHSA-N 1 0 346.446 3.059 50 0 EGAARO C[C@H](NC(=O)C[NH2+]Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000059758391 1291915909 /nfs/dbraw/zinc/91/59/09/1291915909.db2.gz XKEWTINPVWXAKZ-MEOONVRBSA-N 1 0 326.484 3.497 50 0 EGAARO Cc1nn(C(C)C)c2c1[C@@H](c1cc(C[NH+](C)C)cs1)CC(=O)N2 ZINC000065371843 1292079287 /nfs/dbraw/zinc/07/92/87/1292079287.db2.gz UITIKVNUJYVETB-CYBMUJFWSA-N 1 0 332.473 3.370 50 0 EGAARO O=C1N(Cc2ccccc2Cl)c2ccccc2NC12CC[NH2+]CC2 ZINC000082086708 1292677192 /nfs/dbraw/zinc/67/71/92/1292677192.db2.gz LCCLTJMDWGPVLJ-UHFFFAOYSA-N 1 0 341.842 3.421 50 0 EGAARO Cc1cncc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000823764706 1320204284 /nfs/dbraw/zinc/20/42/84/1320204284.db2.gz AIKCMRLRHFBAKS-UHFFFAOYSA-N 1 0 325.412 3.115 50 0 EGAARO CO[C@H](CNC(=O)C1([NH+]2CCCC2)CCCCC1)c1cccs1 ZINC000824256496 1320242266 /nfs/dbraw/zinc/24/22/66/1320242266.db2.gz NXWOZJBQLDZVOF-OAHLLOKOSA-N 1 0 336.501 3.351 50 0 EGAARO COc1ccc(Cl)cc1NC(=O)N1CCC[N@@H+](C2CCC2)CC1 ZINC000824731933 1320280653 /nfs/dbraw/zinc/28/06/53/1320280653.db2.gz DIVZXINVUYZZLN-UHFFFAOYSA-N 1 0 337.851 3.441 50 0 EGAARO [NH3+]Cc1ccc(CNC(=O)NCCCSC2CCCCC2)cc1 ZINC000827458078 1320455284 /nfs/dbraw/zinc/45/52/84/1320455284.db2.gz URARLMGWOOLNGY-UHFFFAOYSA-N 1 0 335.517 3.401 50 0 EGAARO O=C(CCC[NH+]1CCCC1)Nc1ccc(OC[C@H]2CCCCO2)cc1 ZINC000952860336 1334582981 /nfs/dbraw/zinc/58/29/81/1334582981.db2.gz MLPAUPASYOYBSJ-LJQANCHMSA-N 1 0 346.471 3.449 50 0 EGAARO CCCn1c(C)nc2cc(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)ccc21 ZINC000952964146 1334625329 /nfs/dbraw/zinc/62/53/29/1334625329.db2.gz BOWNYHXBCWJEON-CQSZACIVSA-N 1 0 328.460 3.425 50 0 EGAARO Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000952966737 1334626611 /nfs/dbraw/zinc/62/66/11/1334626611.db2.gz WMQYPNBVBVGFFY-KRWDZBQOSA-N 1 0 337.423 3.328 50 0 EGAARO CN(CCNC(=O)C1([NH+]2CCCC2)CCCCC1)c1ccccc1 ZINC000952969975 1334627092 /nfs/dbraw/zinc/62/70/92/1334627092.db2.gz GSGZWDCZAHFFTJ-UHFFFAOYSA-N 1 0 329.488 3.038 50 0 EGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000952992149 1334632113 /nfs/dbraw/zinc/63/21/13/1334632113.db2.gz XTBBPCQMTSWUTA-HNNXBMFYSA-N 1 0 331.485 3.220 50 0 EGAARO C[C@]1(O)CCOC2(CC[NH+](Cc3ccnc4ccccc34)CC2)C1 ZINC001704298534 1416433000 /nfs/dbraw/zinc/43/30/00/1416433000.db2.gz IYUREXMJAVCFGV-IBGZPJMESA-N 1 0 326.440 3.131 50 0 EGAARO C[C@@]1(O)CCOC2(CC[NH+](Cc3ccnc4ccccc34)CC2)C1 ZINC001704298535 1416433073 /nfs/dbraw/zinc/43/30/73/1416433073.db2.gz IYUREXMJAVCFGV-LJQANCHMSA-N 1 0 326.440 3.131 50 0 EGAARO CO[C@@H]1CCC[C@@]12CCC[N@H+](CC(=O)NC1CCCCCCC1)C2 ZINC001704301058 1416433100 /nfs/dbraw/zinc/43/31/00/1416433100.db2.gz IGOUDYUSHWKIHU-QUCCMNQESA-N 1 0 336.520 3.497 50 0 EGAARO Cc1ncsc1C[N@@H+]1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 ZINC001704302513 1416433860 /nfs/dbraw/zinc/43/38/60/1416433860.db2.gz NTECPFOZVIXZGU-QAPCUYQASA-N 1 0 339.464 3.035 50 0 EGAARO Cc1nc(CN(CCO)C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c[nH]1 ZINC001704314169 1416439591 /nfs/dbraw/zinc/43/95/91/1416439591.db2.gz QYEDWUNXNMZHKQ-KRWDZBQOSA-N 1 0 349.862 3.132 50 0 EGAARO CC(C)c1cc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)ncn1 ZINC001704325806 1416444396 /nfs/dbraw/zinc/44/43/96/1416444396.db2.gz RVSXZDNZVWLORX-IBGZPJMESA-N 1 0 336.483 3.280 50 0 EGAARO Cn1ccc(C2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)cc1=O ZINC001772807849 1441417455 /nfs/dbraw/zinc/41/74/55/1441417455.db2.gz CLXQCVHOUVTQSO-UHFFFAOYSA-N 1 0 348.393 3.366 50 0 EGAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2cc(CCCO)nn2)CC1 ZINC000055107892 214273768 /nfs/dbraw/zinc/27/37/68/214273768.db2.gz SMSCSJIKFKYIQC-QGZVFWFLSA-N 1 0 334.508 3.222 50 0 EGAARO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(C(F)(F)F)nc1 ZINC000055168196 214282853 /nfs/dbraw/zinc/28/28/53/214282853.db2.gz RTMOCWNKKBRADI-UHFFFAOYSA-N 1 0 326.366 3.492 50 0 EGAARO Cc1ccsc1CNc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C)C1 ZINC000055211175 214288848 /nfs/dbraw/zinc/28/88/48/214288848.db2.gz JFBZSVYXEPTGJA-OAHLLOKOSA-N 1 0 343.496 3.445 50 0 EGAARO COCC[N@H+](Cc1cccn1-c1ncccn1)Cc1ccc(C)cc1 ZINC000055370676 214314665 /nfs/dbraw/zinc/31/46/65/214314665.db2.gz OXMPDBKVCOGMEG-UHFFFAOYSA-N 1 0 336.439 3.224 50 0 EGAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4cccnc4)[C@H]3C=C12 ZINC000003999476 210096836 /nfs/dbraw/zinc/09/68/36/210096836.db2.gz ZQCAWWOBCZAYGY-MALKTNSBSA-N 1 0 340.467 3.485 50 0 biogenic EGAARO O[C@H](C[NH2+]C1CCCCC1)Cn1c2ccccc2nc1C(F)(F)F ZINC000003654633 210072144 /nfs/dbraw/zinc/07/21/44/210072144.db2.gz RYDHAHRXDOXXDH-CYBMUJFWSA-N 1 0 341.377 3.338 50 0 EGAARO Cc1cc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc(N)[nH+]1 ZINC000066815700 215082043 /nfs/dbraw/zinc/08/20/43/215082043.db2.gz COQGDJGJJVLVGR-CYBMUJFWSA-N 1 0 339.226 3.252 50 0 EGAARO CCc1ccc(C[N@H+](C)Cc2cc3ccc(F)cc3[nH]c2=O)nc1 ZINC000067675362 215180445 /nfs/dbraw/zinc/18/04/45/215180445.db2.gz GIZIQOINGARAPG-UHFFFAOYSA-N 1 0 325.387 3.257 50 0 EGAARO CC(=O)c1cccc(C[N@@H+]2CC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000067742574 215201418 /nfs/dbraw/zinc/20/14/18/215201418.db2.gz NXYFVZFLBFYAET-GOSISDBHSA-N 1 0 336.435 3.141 50 0 EGAARO Cc1occc1C(=O)NCC[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000067867596 215234278 /nfs/dbraw/zinc/23/42/78/215234278.db2.gz BCNMROUPRJMGNC-INIZCTEOSA-N 1 0 342.439 3.326 50 0 EGAARO COC[C@H]1CCCC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067895502 215243912 /nfs/dbraw/zinc/24/39/12/215243912.db2.gz OHKZVKROTKVKJC-GOSISDBHSA-N 1 0 336.439 3.397 50 0 EGAARO COc1ncc(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3)CC2)cn1 ZINC000067974277 215263662 /nfs/dbraw/zinc/26/36/62/215263662.db2.gz RDDHAMLLDMDKNH-UHFFFAOYSA-N 1 0 349.438 3.255 50 0 EGAARO CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](CNC(=O)C(F)F)C1 ZINC000067947092 215256794 /nfs/dbraw/zinc/25/67/94/215256794.db2.gz RSPRRCMJJMZGSE-GFCCVEGCSA-N 1 0 336.382 3.198 50 0 EGAARO CCCN(C(=O)c1csnn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000069348955 215382815 /nfs/dbraw/zinc/38/28/15/215382815.db2.gz LXMCBEAQMHPSKK-MRXNPFEDSA-N 1 0 344.484 3.055 50 0 EGAARO CN(C)C(=O)CC[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000072125638 216016937 /nfs/dbraw/zinc/01/69/37/216016937.db2.gz XRKFGLCRMUHCKI-HNNXBMFYSA-N 1 0 345.462 3.398 50 0 EGAARO Cc1nc(C2CC[NH+](Cc3nc4ccccc4nc3C)CC2)cc(=O)[nH]1 ZINC000072127419 216017518 /nfs/dbraw/zinc/01/75/18/216017518.db2.gz NXMUFTTXLWINLZ-UHFFFAOYSA-N 1 0 349.438 3.122 50 0 EGAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccccn2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072156375 216046054 /nfs/dbraw/zinc/04/60/54/216046054.db2.gz RFVUXBWCJLWLHX-KSEOMHKRSA-N 1 0 349.478 3.152 50 0 EGAARO COc1ccc(CN2CCC[N@H+](Cc3cccs3)CC2)c(OC)c1 ZINC000072166348 216056528 /nfs/dbraw/zinc/05/65/28/216056528.db2.gz TVDSDRBLOHTVDE-UHFFFAOYSA-N 1 0 346.496 3.473 50 0 EGAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc3nonc32)CC1 ZINC000072168555 216059809 /nfs/dbraw/zinc/05/98/09/216059809.db2.gz XNQOLSDJDMATHQ-UHFFFAOYSA-N 1 0 335.407 3.346 50 0 EGAARO COc1cc(OC)c(OC)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000000169334 209461533 /nfs/dbraw/zinc/46/15/33/209461533.db2.gz RWKZHPMKULLXGA-UHFFFAOYSA-N 1 0 348.487 3.163 50 0 EGAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+](C)C)cc1 ZINC000028290551 212613011 /nfs/dbraw/zinc/61/30/11/212613011.db2.gz UPNRZKXMRWKVKA-KRWDZBQOSA-N 1 0 346.858 3.446 50 0 EGAARO Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(C)n2)CC3)co1 ZINC000072412375 216205274 /nfs/dbraw/zinc/20/52/74/216205274.db2.gz KHRCLAWWJNLWLM-UHFFFAOYSA-N 1 0 326.444 3.321 50 0 EGAARO CC[N@H+](CCO)Cc1cn(-c2cccc(F)c2)nc1-c1ccc(C)o1 ZINC000072419844 216208798 /nfs/dbraw/zinc/20/87/98/216208798.db2.gz YRBICGZANYFEJB-UHFFFAOYSA-N 1 0 343.402 3.394 50 0 EGAARO CC[NH+]1CCC(CCNC(=O)c2cccc(CCC(C)(C)O)c2)CC1 ZINC000072421234 216209160 /nfs/dbraw/zinc/20/91/60/216209160.db2.gz KXVNMRCLSCKUFT-UHFFFAOYSA-N 1 0 346.515 3.242 50 0 EGAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000072421486 216210739 /nfs/dbraw/zinc/21/07/39/216210739.db2.gz NCSSCIBSCOCRLV-LBPRGKRZSA-N 1 0 333.819 3.001 50 0 EGAARO CCCc1oncc1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072430597 216223976 /nfs/dbraw/zinc/22/39/76/216223976.db2.gz IXEHEDUVKSNVAV-QGZVFWFLSA-N 1 0 341.455 3.064 50 0 EGAARO Cc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CC[C@@H]([NH3+])C2)s1 ZINC000072432014 216225046 /nfs/dbraw/zinc/22/50/46/216225046.db2.gz PBORHGSPPFQEAL-LSDHHAIUSA-N 1 0 329.469 3.108 50 0 EGAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)CN1Cc1ccccc1 ZINC000072447120 216237169 /nfs/dbraw/zinc/23/71/69/216237169.db2.gz PMHVLBQNSIOUPJ-QFIPXVFZSA-N 1 0 349.478 3.486 50 0 EGAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072477092 216255050 /nfs/dbraw/zinc/25/50/50/216255050.db2.gz KACMLYFVFJGRED-INIZCTEOSA-N 1 0 344.499 3.089 50 0 EGAARO Cc1noc2ncnc(N[C@H]3CCC[N@H+](CC4CCCCC4)C3)c12 ZINC000072480986 216262201 /nfs/dbraw/zinc/26/22/01/216262201.db2.gz LCDBRHMDYZDYAU-HNNXBMFYSA-N 1 0 329.448 3.383 50 0 EGAARO CC[C@H](Oc1ccc(F)cc1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027579746 212566767 /nfs/dbraw/zinc/56/67/67/212566767.db2.gz NNVCMXHTUYHDNL-KRWDZBQOSA-N 1 0 336.451 3.364 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000072881805 216323910 /nfs/dbraw/zinc/32/39/10/216323910.db2.gz DXJZQQHKHGRYEL-HNNXBMFYSA-N 1 0 346.471 3.146 50 0 EGAARO Clc1ccc(-c2nc3ccccn3c2CN2CC[NH2+]CC2)cc1 ZINC000022464992 212299757 /nfs/dbraw/zinc/29/97/57/212299757.db2.gz UCSCLSUPNLQVQO-UHFFFAOYSA-N 1 0 326.831 3.060 50 0 EGAARO COC[C@@H](c1ccccn1)[N@H+](C)Cc1ccccc1Cn1cccn1 ZINC000215070373 241106192 /nfs/dbraw/zinc/10/61/92/241106192.db2.gz PQESONYWUYFEOX-FQEVSTJZSA-N 1 0 336.439 3.146 50 0 EGAARO Cc1nc(CC2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)no1 ZINC000215262880 241113736 /nfs/dbraw/zinc/11/37/36/241113736.db2.gz VSEZYTFEPKFUPT-UHFFFAOYSA-N 1 0 338.411 3.488 50 0 EGAARO [NH3+][C@H]1CCC[C@@H](C(=O)N(CCCO)Cc2cccc3ccccc32)C1 ZINC000216129387 241167603 /nfs/dbraw/zinc/16/76/03/241167603.db2.gz NCUGAHNMRHPPDF-MJGOQNOKSA-N 1 0 340.467 3.068 50 0 EGAARO CCOCc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccc1OC ZINC000216367340 241185608 /nfs/dbraw/zinc/18/56/08/241185608.db2.gz FBEDPWZOZGAYBF-LJQANCHMSA-N 1 0 332.488 3.292 50 0 EGAARO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)[nH]1 ZINC000216352303 241186185 /nfs/dbraw/zinc/18/61/85/241186185.db2.gz CDWWWCQCSSNDIK-HNNXBMFYSA-N 1 0 326.444 3.206 50 0 EGAARO C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227156137 242123832 /nfs/dbraw/zinc/12/38/32/242123832.db2.gz GDTCFWJCTOGKOL-OWCLPIDISA-N 1 0 341.455 3.438 50 0 EGAARO CSc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC000020908978 212186872 /nfs/dbraw/zinc/18/68/72/212186872.db2.gz YOFZKULZUAEGTN-KRWDZBQOSA-N 1 0 336.545 3.323 50 0 EGAARO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1ccnc2ccccc12 ZINC000243892378 243026926 /nfs/dbraw/zinc/02/69/26/243026926.db2.gz AHEYMWMTVLMHHE-MRXNPFEDSA-N 1 0 325.456 3.458 50 0 EGAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cncn3Cc3ccccc3)C2)n1 ZINC000244601922 243043130 /nfs/dbraw/zinc/04/31/30/243043130.db2.gz DULJOGBRDRYIBG-IBGZPJMESA-N 1 0 335.455 3.192 50 0 EGAARO COc1ccc(C)cc1NC(=O)CC[N@H+](C)Cc1c(C)noc1C ZINC000244678606 243053166 /nfs/dbraw/zinc/05/31/66/243053166.db2.gz IGQNXBGTZIQQFS-UHFFFAOYSA-N 1 0 331.416 3.069 50 0 EGAARO OCCOc1cccc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000020536351 212145037 /nfs/dbraw/zinc/14/50/37/212145037.db2.gz UBCFZZHRNYBIBB-HXUWFJFHSA-N 1 0 346.515 3.192 50 0 EGAARO CCOc1cc2c(cc1OC)[C@@H](c1ccc(OC)c(OC)c1)[NH2+]CC2 ZINC000020494354 212140205 /nfs/dbraw/zinc/14/02/05/212140205.db2.gz CDQZOYLAFNWUHE-HXUWFJFHSA-N 1 0 343.423 3.346 50 0 biogenic EGAARO Cc1ncc2c(c1-c1noc(C(C)(C)Nc3ccccc3)n1)CC[NH2+]C2 ZINC000020210469 212112404 /nfs/dbraw/zinc/11/24/04/212112404.db2.gz ALHCJDWXCIMDKC-UHFFFAOYSA-N 1 0 349.438 3.433 50 0 EGAARO C[C@H]1C[NH+](CCCOc2ccccc2Br)C[C@H](C)O1 ZINC000020167313 212108378 /nfs/dbraw/zinc/10/83/78/212108378.db2.gz GWTQPPDNBSYBSA-STQMWFEESA-N 1 0 328.250 3.327 50 0 EGAARO c1cn(CCC[NH2+][C@H]2CCOC3(CCOCC3)C2)c2ccccc12 ZINC000077406300 216896646 /nfs/dbraw/zinc/89/66/46/216896646.db2.gz IIPSJMCMUIQWCA-SFHVURJKSA-N 1 0 328.456 3.349 50 0 EGAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1cccs1 ZINC000019796721 212069234 /nfs/dbraw/zinc/06/92/34/212069234.db2.gz ARGHNXHQAXMLBZ-OAHLLOKOSA-N 1 0 341.436 3.436 50 0 EGAARO OCC[C@H]1C[N@@H+](C2CCCCCC2)CCN1Cc1ccc(F)cc1 ZINC000019792565 212067288 /nfs/dbraw/zinc/06/72/88/212067288.db2.gz NJJSTJKOOBCJGP-FQEVSTJZSA-N 1 0 334.479 3.417 50 0 EGAARO COc1cc(CN(CC[NH+](C)C)Cc2ccccc2)cc(OC)c1 ZINC000019636298 212053393 /nfs/dbraw/zinc/05/33/93/212053393.db2.gz TZNJXHPDYDPQOD-UHFFFAOYSA-N 1 0 328.456 3.268 50 0 EGAARO CC[NH+]1CCN(Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000019634786 212052239 /nfs/dbraw/zinc/05/22/39/212052239.db2.gz HUKYZZDSOIBRGE-UHFFFAOYSA-N 1 0 340.467 3.412 50 0 EGAARO O=C(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1 ZINC000019361407 212021627 /nfs/dbraw/zinc/02/16/27/212021627.db2.gz ZDXSNDXZLWQXLG-JXMROGBWSA-N 1 0 349.478 3.346 50 0 EGAARO CCN(Cc1c[nH]cn1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012316459 211344256 /nfs/dbraw/zinc/34/42/56/211344256.db2.gz IZTCFNDPYQUEPG-SFHVURJKSA-N 1 0 344.478 3.325 50 0 EGAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000091619956 218032216 /nfs/dbraw/zinc/03/22/16/218032216.db2.gz PZSHBVQEPOKTCT-SFHVURJKSA-N 1 0 330.472 3.053 50 0 EGAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000091619955 218032406 /nfs/dbraw/zinc/03/24/06/218032406.db2.gz PZSHBVQEPOKTCT-GOSISDBHSA-N 1 0 330.472 3.053 50 0 EGAARO O=C(COc1ccccc1Cl)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091586436 218025985 /nfs/dbraw/zinc/02/59/85/218025985.db2.gz TWIRDZBAMTUWBU-HZPDHXFCSA-N 1 0 348.874 3.052 50 0 EGAARO CN(C)c1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccccc1OC(F)F ZINC000011712498 211239843 /nfs/dbraw/zinc/23/98/43/211239843.db2.gz YKKISIZDWBEBJQ-CQSZACIVSA-N 1 0 348.397 3.311 50 0 EGAARO Cc1nc2c(ncnc2NC[C@@H]2CC[N@H+](Cc3ccccc3C)C2)o1 ZINC000091645041 218038916 /nfs/dbraw/zinc/03/89/16/218038916.db2.gz OBKVFRLKJYAZJS-HNNXBMFYSA-N 1 0 337.427 3.169 50 0 EGAARO COc1cccc(C[N@@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)c1OC ZINC000091849293 218077227 /nfs/dbraw/zinc/07/72/27/218077227.db2.gz AHZWNRUFWYFCEV-KRWDZBQOSA-N 1 0 341.451 3.261 50 0 EGAARO COCC[C@]1(CO)CCC[N@@H+](C2CCN(c3ccc(C)cc3)CC2)C1 ZINC000091907666 218087245 /nfs/dbraw/zinc/08/72/45/218087245.db2.gz JQHRDOXXCCZQFL-OAQYLSRUSA-N 1 0 346.515 3.075 50 0 EGAARO Cc1cc(O[C@@H](C)C(=O)NCCC[NH+]2CCCC2)cc(C)c1Cl ZINC000010539088 211178886 /nfs/dbraw/zinc/17/88/86/211178886.db2.gz GFFLJWXRILGBAJ-HNNXBMFYSA-N 1 0 338.879 3.326 50 0 EGAARO Cc1ccccc1OCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450811 211174335 /nfs/dbraw/zinc/17/43/35/211174335.db2.gz ZAZUAMPXSFKKES-UHFFFAOYSA-N 1 0 338.451 3.155 50 0 EGAARO Cc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+](C)C)cc1 ZINC000010017929 211141242 /nfs/dbraw/zinc/14/12/42/211141242.db2.gz QJCRORPVUODEMU-SFHVURJKSA-N 1 0 326.440 3.101 50 0 EGAARO Cc1cc(=O)n2c(n1)NC(NC1CCCCC1)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000009196245 211052097 /nfs/dbraw/zinc/05/20/97/211052097.db2.gz BQBFLFSBANAVAZ-PBHICJAKSA-N 1 0 341.459 3.110 50 0 EGAARO O=C(NCCCOC1CCCC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095357858 218291863 /nfs/dbraw/zinc/29/18/63/218291863.db2.gz CGIMKOMWJCNVON-SFHVURJKSA-N 1 0 330.472 3.233 50 0 EGAARO CC(C)c1noc([C@H]2CCCCN2C(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000095367025 218298818 /nfs/dbraw/zinc/29/88/18/218298818.db2.gz NJAVBGFLBREELC-MRXNPFEDSA-N 1 0 348.491 3.367 50 0 EGAARO FC(F)(F)c1ccc(N2CCC([NH2+][C@H]3CCSC3)CC2)nc1 ZINC000095365602 218298249 /nfs/dbraw/zinc/29/82/49/218298249.db2.gz LWAPIXQARTVBDG-ZDUSSCGKSA-N 1 0 331.407 3.164 50 0 EGAARO O=C(CSCC1CC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095379228 218310862 /nfs/dbraw/zinc/31/08/62/218310862.db2.gz FUEGRDZLTNXVGL-RTBURBONSA-N 1 0 344.524 3.253 50 0 EGAARO Cc1ccc([C@@H]2C[N@@H+](Cc3cccc4nonc43)C[C@H]2N(C)C)cc1 ZINC000095521638 218426649 /nfs/dbraw/zinc/42/66/49/218426649.db2.gz GZIQNJWBNMGFJV-PKOBYXMFSA-N 1 0 336.439 3.061 50 0 EGAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1 ZINC000006703639 210686688 /nfs/dbraw/zinc/68/66/88/210686688.db2.gz IWUNAOOVPNSXST-ZDUSSCGKSA-N 1 0 335.831 3.398 50 0 EGAARO Cc1ccc([C@@H](NC(=O)C2CC[NH+](C)CC2)c2cccnc2)c(C)c1 ZINC000097334221 219012865 /nfs/dbraw/zinc/01/28/65/219012865.db2.gz YTAXMCJTLKXDHV-FQEVSTJZSA-N 1 0 337.467 3.246 50 0 EGAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1CCC[C@@H](C)C1)CC3 ZINC000004837139 210293440 /nfs/dbraw/zinc/29/34/40/210293440.db2.gz MYGBEOGYYAJYJL-OAHLLOKOSA-N 1 0 325.456 3.093 50 0 EGAARO O=C([C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCCCC1 ZINC000004746244 210269419 /nfs/dbraw/zinc/26/94/19/210269419.db2.gz SKOTZEXQVSGLMG-KRWDZBQOSA-N 1 0 344.455 3.030 50 0 EGAARO CCN(CC[NH+]1CCCC1)C(=O)c1cccc(-c2ncccc2F)c1 ZINC000426471308 257967519 /nfs/dbraw/zinc/96/75/19/257967519.db2.gz FBMCRCKAXANNPC-UHFFFAOYSA-N 1 0 341.430 3.446 50 0 EGAARO O=C1C[C@@H]([NH2+]CCc2ccccc2)C(=O)N1c1cccc2ccccc21 ZINC000020081917 258057188 /nfs/dbraw/zinc/05/71/88/258057188.db2.gz KOQFPMAZYFGEQN-LJQANCHMSA-N 1 0 344.414 3.304 50 0 EGAARO COc1ccc(C[NH2+]Cc2ccncc2)cc1OC[C@H]1CCCCO1 ZINC000299760088 258077450 /nfs/dbraw/zinc/07/74/50/258077450.db2.gz RBJWCCNYGLZXCO-GOSISDBHSA-N 1 0 342.439 3.328 50 0 EGAARO Cc1cc(C)cc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000002765270 135658483 /nfs/dbraw/zinc/65/84/83/135658483.db2.gz WMNLPVBBYRQNLW-UHFFFAOYSA-N 1 0 337.467 3.454 50 0 EGAARO Fc1ccc(-c2n[nH]cc2C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000122092097 222013455 /nfs/dbraw/zinc/01/34/55/222013455.db2.gz HCONNCJGEKKWTR-UHFFFAOYSA-N 1 0 339.418 3.325 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000097797424 274284592 /nfs/dbraw/zinc/28/45/92/274284592.db2.gz XOBVXVPCHDOILQ-CYBMUJFWSA-N 1 0 327.403 3.073 50 0 EGAARO C[NH+](C)CC/C=C1/c2ccccc2CS(=O)(=O)c2ccccc21 ZINC000000346582 289080334 /nfs/dbraw/zinc/08/03/34/289080334.db2.gz SDAOUNLJPTVJAJ-BOPFTXTBSA-N 1 0 327.449 3.357 50 0 EGAARO Cc1nc(NCCCSCc2ccco2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244899443 455277341 /nfs/dbraw/zinc/27/73/41/455277341.db2.gz ZKAZXGPBALMPSG-HDJSIYSDSA-N 1 0 332.473 3.318 50 0 EGAARO c1ncn(Cc2ccccc2)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000244724018 455275399 /nfs/dbraw/zinc/27/53/99/455275399.db2.gz MMDBDBPDCZWKPT-UHFFFAOYSA-N 1 0 338.499 3.382 50 0 EGAARO C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866568 455277162 /nfs/dbraw/zinc/27/71/62/455277162.db2.gz VYLBWTKCNRQVOZ-QGZVFWFLSA-N 1 0 338.451 3.426 50 0 EGAARO Cc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)o1 ZINC000000299661 452556309 /nfs/dbraw/zinc/55/63/09/452556309.db2.gz DCYQFNYZFCTGCN-UHFFFAOYSA-N 1 0 326.440 3.459 50 0 EGAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000000526707 452614224 /nfs/dbraw/zinc/61/42/24/452614224.db2.gz NMHLNOPFYTVZHA-HNNXBMFYSA-N 1 0 325.456 3.317 50 0 biogenic EGAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccccc2Cl)CC1 ZINC000001401280 452660419 /nfs/dbraw/zinc/66/04/19/452660419.db2.gz AYXURQCSMWCSSW-UHFFFAOYSA-N 1 0 329.831 3.344 50 0 EGAARO Cc1cc(NCC[NH+](C)C)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002352945 452696132 /nfs/dbraw/zinc/69/61/32/452696132.db2.gz WPXFVBVRCUFOJU-UHFFFAOYSA-N 1 0 329.835 3.332 50 0 EGAARO CCOc1cc(C[NH2+]CCO)cc(Cl)c1OCc1cccs1 ZINC000002488928 452699027 /nfs/dbraw/zinc/69/90/27/452699027.db2.gz RUJRRQCPRAFJES-UHFFFAOYSA-N 1 0 341.860 3.461 50 0 EGAARO OCC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000006530666 452950795 /nfs/dbraw/zinc/95/07/95/452950795.db2.gz FDQWFAGDHPQTSJ-UHFFFAOYSA-N 1 0 325.387 3.210 50 0 EGAARO COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(F)cc1 ZINC000008373857 453196903 /nfs/dbraw/zinc/19/69/03/453196903.db2.gz XXUMTMZOOIAIOX-UHFFFAOYSA-N 1 0 346.446 3.455 50 0 EGAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1ccco1 ZINC000012571064 453377273 /nfs/dbraw/zinc/37/72/73/453377273.db2.gz ZHPGOHGOMSXHJM-UHFFFAOYSA-N 1 0 344.430 3.445 50 0 EGAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)C(C)(C)C)C1 ZINC000012588856 453379814 /nfs/dbraw/zinc/37/98/14/453379814.db2.gz VYLHXKHTHYMAFH-QGZVFWFLSA-N 1 0 346.515 3.454 50 0 EGAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1c(F)cccc1F ZINC000012713516 453393420 /nfs/dbraw/zinc/39/34/20/453393420.db2.gz AZGHXJJYTIWWOE-INIZCTEOSA-N 1 0 344.405 3.402 50 0 EGAARO O=C(Cc1ccc(F)cc1)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000013011506 453438313 /nfs/dbraw/zinc/43/83/13/453438313.db2.gz GGYMETFPKNJCCB-KRWDZBQOSA-N 1 0 332.444 3.383 50 0 EGAARO COc1ccccc1C[N@H+]1CCC(=O)N(Cc2ccccc2C)CC1 ZINC000014958838 453549608 /nfs/dbraw/zinc/54/96/08/453549608.db2.gz WINRTICVWBSVOJ-UHFFFAOYSA-N 1 0 338.451 3.238 50 0 EGAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1Cc1cccc(Cl)c1 ZINC000014982372 453550730 /nfs/dbraw/zinc/55/07/30/453550730.db2.gz XDMMJIURDUXQTN-GOSISDBHSA-N 1 0 343.858 3.406 50 0 EGAARO CCC[NH+]1CCC(NC(=O)c2ccc(Br)s2)CC1 ZINC000016602519 453615081 /nfs/dbraw/zinc/61/50/81/453615081.db2.gz CVDQHIBMLDJFHT-UHFFFAOYSA-N 1 0 331.279 3.115 50 0 EGAARO COc1ccc(CN2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000019633616 453657461 /nfs/dbraw/zinc/65/74/61/453657461.db2.gz AEJMOICNPQKEQG-UHFFFAOYSA-N 1 0 326.440 3.022 50 0 EGAARO CCCNc1ncc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)cn1 ZINC000077458742 454108432 /nfs/dbraw/zinc/10/84/32/454108432.db2.gz FUUWURXOHUAUIU-GOSISDBHSA-N 1 0 331.508 3.139 50 0 EGAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc2ccccc2n1 ZINC000077536968 454119133 /nfs/dbraw/zinc/11/91/33/454119133.db2.gz JRAROLNRXVFMKA-LJQANCHMSA-N 1 0 345.446 3.364 50 0 EGAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccco3)nc2)c1 ZINC000077565951 454124166 /nfs/dbraw/zinc/12/41/66/454124166.db2.gz LOYLGIATVMEAQM-QGZVFWFLSA-N 1 0 337.427 3.378 50 0 EGAARO Cc1cc(C)n(-c2cc(Cl)ccc2-c2nc3c([nH]2)C[NH2+]CC3)n1 ZINC000095364510 454197204 /nfs/dbraw/zinc/19/72/04/454197204.db2.gz OEAXDBKPHNYEPB-UHFFFAOYSA-N 1 0 327.819 3.178 50 0 EGAARO CC(C)[N@@H+]1CCC[C@H](CCNC(=O)c2cnc3ccccc3c2)C1 ZINC000071279003 454203459 /nfs/dbraw/zinc/20/34/59/454203459.db2.gz FGBJVCQCEMPSIV-MRXNPFEDSA-N 1 0 325.456 3.475 50 0 EGAARO COc1ccc(-c2nc(CN3CC[N@H+](C)[C@H](C)C3)c(C)o2)c(C)c1C ZINC000071745924 454212043 /nfs/dbraw/zinc/21/20/43/454212043.db2.gz ONJDAIHQDADMIU-CYBMUJFWSA-N 1 0 343.471 3.411 50 0 EGAARO COc1ccc(F)c(-c2nc(CN3CC[N@@H+]4CCC[C@@H]4C3)c(C)o2)c1 ZINC000071748920 454213123 /nfs/dbraw/zinc/21/31/23/454213123.db2.gz IEDGQIFOJDXIGD-CQSZACIVSA-N 1 0 345.418 3.078 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071752039 454214532 /nfs/dbraw/zinc/21/45/32/454214532.db2.gz BKQGCFURQWOKGV-GOSISDBHSA-N 1 0 332.463 3.481 50 0 EGAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000095523953 454227569 /nfs/dbraw/zinc/22/75/69/454227569.db2.gz WWJWVOCXRWDRJC-INIZCTEOSA-N 1 0 340.427 3.480 50 0 EGAARO CCn1nc(C)c2c1C(c1cccc(Br)c1)=[NH+]CCN2 ZINC000096027683 454264921 /nfs/dbraw/zinc/26/49/21/454264921.db2.gz QLIRRFLTFYVCDB-UHFFFAOYSA-N 1 0 333.233 3.237 50 0 EGAARO Cc1cnn([C@@H](C)C2CC2)c1NC(=O)NCCNc1cc[nH+]cc1C ZINC000096136839 454291396 /nfs/dbraw/zinc/29/13/96/454291396.db2.gz OUJGBPZLSNPCEN-AWEZNQCLSA-N 1 0 342.447 3.100 50 0 EGAARO Cc1cnn([C@H](C)C2CC2)c1NC(=O)NCCNc1cc[nH+]cc1C ZINC000096136840 454291436 /nfs/dbraw/zinc/29/14/36/454291436.db2.gz OUJGBPZLSNPCEN-CQSZACIVSA-N 1 0 342.447 3.100 50 0 EGAARO CC(=O)N[C@@H](C)c1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000096167138 454297425 /nfs/dbraw/zinc/29/74/25/454297425.db2.gz MGTAKXLCJNFLLG-INIZCTEOSA-N 1 0 338.451 3.383 50 0 EGAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000091289254 454423163 /nfs/dbraw/zinc/42/31/63/454423163.db2.gz UJLCETPVZKYFHE-LJQANCHMSA-N 1 0 334.410 3.189 50 0 EGAARO Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091325780 454427984 /nfs/dbraw/zinc/42/79/84/454427984.db2.gz UTLLERVBBLNOHW-PZJWPPBQSA-N 1 0 349.478 3.056 50 0 EGAARO COc1ccc([C@@H]2C[N@@H+](C3CCCCCC3)C[C@H]2NC(C)=O)cc1 ZINC000091364678 454429989 /nfs/dbraw/zinc/42/99/89/454429989.db2.gz XVUZCYABBRUYFO-VQTJNVASSA-N 1 0 330.472 3.322 50 0 EGAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCCSCc1ccccc1F ZINC000097492556 454438551 /nfs/dbraw/zinc/43/85/51/454438551.db2.gz 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CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1ccccc1OCC(N)=O ZINC000055307617 214304165 /nfs/dbraw/zinc/30/41/65/214304165.db2.gz YVNIGOGMDAMAKJ-OAHLLOKOSA-N 1 0 330.428 3.190 50 0 EGAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055360480 214311345 /nfs/dbraw/zinc/31/13/45/214311345.db2.gz GYOWTJYKKCHKAD-OAQYLSRUSA-N 1 0 338.451 3.473 50 0 EGAARO CC[NH+](CC)CCNC(=O)c1csc(Nc2cccc(C)c2)n1 ZINC000004687900 210247833 /nfs/dbraw/zinc/24/78/33/210247833.db2.gz VXEUVDDPSUUCIG-UHFFFAOYSA-N 1 0 332.473 3.267 50 0 EGAARO C[C@@H](c1cccc(-c2nc3c(cc2C(N)=O)CCC3)c1)[NH+]1CCCC1 ZINC000097805564 219057827 /nfs/dbraw/zinc/05/78/27/219057827.db2.gz WDFVBFKJKYHCOA-AWEZNQCLSA-N 1 0 335.451 3.493 50 0 EGAARO C[N@@H+]1CC[C@@H](C(=O)NCCCSCc2ccccc2Cl)C1 ZINC000097823139 219058442 /nfs/dbraw/zinc/05/84/42/219058442.db2.gz YQQPFDKKJQESSU-CYBMUJFWSA-N 1 0 326.893 3.031 50 0 EGAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccco3)nc21 ZINC000004359218 210180956 /nfs/dbraw/zinc/18/09/56/210180956.db2.gz 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O=C(NCC[C@H]1C[N@@H+](C2CCCCCC2)CCO1)c1ccsc1 ZINC000067934320 215252705 /nfs/dbraw/zinc/25/27/05/215252705.db2.gz BXUUAXLCLFEREO-KRWDZBQOSA-N 1 0 336.501 3.292 50 0 EGAARO CNc1nc(NCc2cccnc2Oc2ccc(C)nc2)cc(C)[nH+]1 ZINC000067946296 215256407 /nfs/dbraw/zinc/25/64/07/215256407.db2.gz HAEIGOHPHCHIRD-UHFFFAOYSA-N 1 0 336.399 3.330 50 0 EGAARO C[C@@H](CCc1ccco1)Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067948024 215257887 /nfs/dbraw/zinc/25/78/87/215257887.db2.gz AVUZXALRPUEYOO-AWEZNQCLSA-N 1 0 349.438 3.211 50 0 EGAARO Cc1ccc(CN2CC[N@H+](CCCC3CCCC3)C[C@H]2CCO)o1 ZINC000104351703 219378227 /nfs/dbraw/zinc/37/82/27/219378227.db2.gz AHEOHSPJOYHPTF-LJQANCHMSA-N 1 0 334.504 3.427 50 0 EGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccccc2F)C[C@H]1CCO ZINC000104375575 219381023 /nfs/dbraw/zinc/38/10/23/219381023.db2.gz BSXYCTGUTDOSBY-HXUWFJFHSA-N 1 0 342.458 3.203 50 0 EGAARO Cn1cccc1[C@H](CNC(=O)Nc1c(F)cccc1F)[NH+]1CCCC1 ZINC000038489744 213211606 /nfs/dbraw/zinc/21/16/06/213211606.db2.gz XHELKPRSAYCFOD-INIZCTEOSA-N 1 0 348.397 3.262 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1ccc(N(C)C)cc1)C2 ZINC000095363202 283356209 /nfs/dbraw/zinc/35/62/09/283356209.db2.gz GAKOAAOKNNNBPW-UYAOXDASSA-N 1 0 343.515 3.018 50 0 EGAARO COc1ccc(-c2nc(C[NH+]3CCC(OC)CC3)c(C)o2)c(F)c1 ZINC000071736061 215800031 /nfs/dbraw/zinc/80/00/31/215800031.db2.gz WZCKJQZJFJLJAD-UHFFFAOYSA-N 1 0 334.391 3.409 50 0 EGAARO Cn1cc(SCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c2ccccc21 ZINC000072144228 216030464 /nfs/dbraw/zinc/03/04/64/216030464.db2.gz PNDVIECRCXUXFH-OAHLLOKOSA-N 1 0 345.512 3.213 50 0 EGAARO c1cn(CC2CC[NH+](Cc3ccccc3)CC2)c([C@@H]2CCOC2)n1 ZINC000072148109 216035575 /nfs/dbraw/zinc/03/55/75/216035575.db2.gz FUPFPZXCZYOHRX-LJQANCHMSA-N 1 0 325.456 3.299 50 0 EGAARO Nc1ncccc1C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000072147550 216035733 /nfs/dbraw/zinc/03/57/33/216035733.db2.gz HJRLYYMCRISVTB-UHFFFAOYSA-N 1 0 335.411 3.093 50 0 EGAARO Cc1nc(CN(Cc2cccnc2)[C@H]2C[NH+]3CCC2CC3)sc1C ZINC000072162596 216050111 /nfs/dbraw/zinc/05/01/11/216050111.db2.gz XHHJNGOPIZDAKY-SFHVURJKSA-N 1 0 342.512 3.251 50 0 EGAARO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(-n2cccn2)cc1 ZINC000072155983 216045844 /nfs/dbraw/zinc/04/58/44/216045844.db2.gz DRWJMEGEFXMWSH-UHFFFAOYSA-N 1 0 333.395 3.487 50 0 EGAARO OC1(Cc2ccccc2)CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000072159114 216048885 /nfs/dbraw/zinc/04/88/85/216048885.db2.gz KJUZRXQPRQHRBB-LEWJYISDSA-N 1 0 342.527 3.321 50 0 EGAARO Cc1c[nH+]ccc1NCCn1ccnc1-c1nc2ccccc2n1C ZINC000072162792 216051792 /nfs/dbraw/zinc/05/17/92/216051792.db2.gz XQHSAKXSQJJTQJ-UHFFFAOYSA-N 1 0 332.411 3.252 50 0 EGAARO CCc1oc2c(cc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2Cl)c1C ZINC000072169385 216060807 /nfs/dbraw/zinc/06/08/07/216060807.db2.gz TZHKEWDKZSCGIR-GFCCVEGCSA-N 1 0 336.819 3.274 50 0 EGAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174546 216065070 /nfs/dbraw/zinc/06/50/70/216065070.db2.gz DITADBCFKMQAFA-INIZCTEOSA-N 1 0 336.439 3.358 50 0 EGAARO CN(Cc1csc(-c2cccs2)n1)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000072410114 216202485 /nfs/dbraw/zinc/20/24/85/216202485.db2.gz QQPSCFBQPNTHBL-OCCSQVGLSA-N 1 0 347.509 3.314 50 0 EGAARO Cc1cccc(C[NH+]2CCC(C(=O)NCCCOC(C)C)CC2)c1 ZINC000023382022 212373646 /nfs/dbraw/zinc/37/36/46/212373646.db2.gz VMVVGHFABSMXPN-UHFFFAOYSA-N 1 0 332.488 3.138 50 0 EGAARO C[NH+]1CCC(CNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000023013485 212342191 /nfs/dbraw/zinc/34/21/91/212342191.db2.gz SJEVMWLUNVHRMH-UHFFFAOYSA-N 1 0 345.668 3.174 50 0 EGAARO COc1cc(OC)c(CN2CCCC[C@H]2C[NH+]2CCCC2)c(OC)c1 ZINC000215340062 241120140 /nfs/dbraw/zinc/12/01/40/241120140.db2.gz DYGKSQQVMJNCKT-INIZCTEOSA-N 1 0 348.487 3.163 50 0 EGAARO O=C(C[NH2+]C1CC1)N(Cc1cccnc1)[C@H]1CCCc2ccccc21 ZINC000215403495 241122407 /nfs/dbraw/zinc/12/24/07/241122407.db2.gz RZDFAQJSWVHZEO-FQEVSTJZSA-N 1 0 335.451 3.240 50 0 EGAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000215383599 241123876 /nfs/dbraw/zinc/12/38/76/241123876.db2.gz YCXJWIVBIMSCSZ-AZUAARDMSA-N 1 0 337.467 3.187 50 0 EGAARO Cc1ccc(OC2CN(C(=O)C3([NH+]4CCCC4)CCCCC3)C2)cc1 ZINC000215456302 241126078 /nfs/dbraw/zinc/12/60/78/241126078.db2.gz BQWMWVMQZNTFKY-UHFFFAOYSA-N 1 0 342.483 3.383 50 0 EGAARO Cn1c2ccccc2cc(C[N@H+](C)CC[C@@H](O)c2ccccc2)c1=O ZINC000215529575 241132406 /nfs/dbraw/zinc/13/24/06/241132406.db2.gz DSNPIGRMAIGUIN-HXUWFJFHSA-N 1 0 336.435 3.094 50 0 EGAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccc(C)cc4)nc3c12 ZINC000021801833 212251207 /nfs/dbraw/zinc/25/12/07/212251207.db2.gz DHZZGZNLOGPWOS-UHFFFAOYSA-N 1 0 348.454 3.233 50 0 EGAARO COc1ccc(CCN(C)[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000020999343 212197466 /nfs/dbraw/zinc/19/74/66/212197466.db2.gz XBZMBCUPBFQPOP-SFHVURJKSA-N 1 0 332.488 3.053 50 0 EGAARO CCCn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)c(C)n1 ZINC000020995510 212196874 /nfs/dbraw/zinc/19/68/74/212196874.db2.gz IHWCSNBLCLYQJP-LJQANCHMSA-N 1 0 344.478 3.495 50 0 EGAARO Cc1ccc(CN2CC[N@H+](Cc3ccccc3C)C[C@@H]2CCO)cc1 ZINC000020907122 212186505 /nfs/dbraw/zinc/18/65/05/212186505.db2.gz IKPVCHAWBCVGGP-QFIPXVFZSA-N 1 0 338.495 3.372 50 0 EGAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]C2CSCCSC2)C1 ZINC000020449117 212129877 /nfs/dbraw/zinc/12/98/77/212129877.db2.gz JTORAIPEXICIEZ-OAHLLOKOSA-N 1 0 340.533 3.228 50 0 EGAARO CC(C)C[C@@H](O)C1CC[NH+](Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000077287900 216865041 /nfs/dbraw/zinc/86/50/41/216865041.db2.gz YATNZLUWJHKFFN-LJQANCHMSA-N 1 0 340.471 3.158 50 0 EGAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(OC)c1 ZINC000019933552 212086806 /nfs/dbraw/zinc/08/68/06/212086806.db2.gz SCGLZZUIPFWLDI-IBGZPJMESA-N 1 0 338.407 3.429 50 0 EGAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(F)cc2)C[C@@H]1CCO ZINC000019792834 212067823 /nfs/dbraw/zinc/06/78/23/212067823.db2.gz QTVBNWPDAFTGKI-NRFANRHFSA-N 1 0 342.458 3.203 50 0 EGAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000077539420 216932707 /nfs/dbraw/zinc/93/27/07/216932707.db2.gz KLLXQDWKHOHLLN-HNNXBMFYSA-N 1 0 327.428 3.246 50 0 EGAARO CCC(CC)[NH+]1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000019500282 212033307 /nfs/dbraw/zinc/03/33/07/212033307.db2.gz BWHNZEVXUNMNLO-UHFFFAOYSA-N 1 0 336.476 3.019 50 0 EGAARO COc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc3C2)c1OC ZINC000019227712 212007074 /nfs/dbraw/zinc/00/70/74/212007074.db2.gz LUMLENRSHIVJOM-OAHLLOKOSA-N 1 0 333.815 3.451 50 0 EGAARO O=C(Cn1ccc2ccccc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079190628 217200538 /nfs/dbraw/zinc/20/05/38/217200538.db2.gz NBWCKIJCPWQZRW-PKOBYXMFSA-N 1 0 325.456 3.022 50 0 biogenic EGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]C3CCCC3)C2=O)cc1 ZINC000012754033 211445431 /nfs/dbraw/zinc/44/54/31/211445431.db2.gz UQMXNBFCPAWXIK-NRFANRHFSA-N 1 0 344.499 3.196 50 0 EGAARO O=C1N(CCc2ccccc2)CCC[C@@]12CC[N@H+](Cc1cccnc1)C2 ZINC000012304535 211338798 /nfs/dbraw/zinc/33/87/98/211338798.db2.gz MWQGEKIVFADLEM-QFIPXVFZSA-N 1 0 349.478 3.139 50 0 EGAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)s1 ZINC000091410750 218002166 /nfs/dbraw/zinc/00/21/66/218002166.db2.gz URWPJSKQFOMUPP-DZGCQCFKSA-N 1 0 347.509 3.136 50 0 EGAARO O=C(COc1ccc(Cl)cc1Cl)N1CC([NH+]2CCCCC2)C1 ZINC000091416527 218002590 /nfs/dbraw/zinc/00/25/90/218002590.db2.gz DOEIXBOQLZAFRX-UHFFFAOYSA-N 1 0 343.254 3.069 50 0 EGAARO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)CC1 ZINC000011713418 211240590 /nfs/dbraw/zinc/24/05/90/211240590.db2.gz ICJXMFVIJOAWSY-LJQANCHMSA-N 1 0 347.478 3.349 50 0 EGAARO Cc1cc(C(=O)N(CCC[NH+](C)C)c2nc3ccccc3s2)on1 ZINC000011694233 211237206 /nfs/dbraw/zinc/23/72/06/211237206.db2.gz KZTNWPDVKCFNTR-UHFFFAOYSA-N 1 0 344.440 3.191 50 0 EGAARO Cc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3cccc4ccccc43)C2)n1 ZINC000011817143 211250266 /nfs/dbraw/zinc/25/02/66/211250266.db2.gz VQZVWSKCOVLOAG-FQEVSTJZSA-N 1 0 345.446 3.434 50 0 EGAARO O[C@@H]1C[C@H](O)C12CC[NH+](Cc1sc3ccccc3c1Cl)CC2 ZINC000091745236 218056731 /nfs/dbraw/zinc/05/67/31/218056731.db2.gz RNBRTXHGSULKPV-GASCZTMLSA-N 1 0 337.872 3.262 50 0 EGAARO CC(C)Cc1cc(C(=O)N[C@H](CC[NH+](C)C)c2ccccc2)on1 ZINC000092061599 218111333 /nfs/dbraw/zinc/11/13/33/218111333.db2.gz UFBINHQEVKCXQB-QGZVFWFLSA-N 1 0 329.444 3.296 50 0 EGAARO CCC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccccc1 ZINC000010435887 211173418 /nfs/dbraw/zinc/17/34/18/211173418.db2.gz PSZJRTGWXNBCPG-KRWDZBQOSA-N 1 0 342.439 3.190 50 0 EGAARO Cc1nc(C)c(CNC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)s1 ZINC000095357260 218291133 /nfs/dbraw/zinc/29/11/33/218291133.db2.gz QZRSDZRKWWFFAM-INIZCTEOSA-N 1 0 329.469 3.157 50 0 EGAARO Cc1c(C)n(C2CCCCC2)c2ncn(CCC[NH+](C)C)c(=N)c12 ZINC000009050357 211034076 /nfs/dbraw/zinc/03/40/76/211034076.db2.gz NPRZKSNEBLAMPL-UHFFFAOYSA-N 1 0 329.492 3.391 50 0 EGAARO CCCc1cc(CNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)on1 ZINC000095380129 218312048 /nfs/dbraw/zinc/31/20/48/218312048.db2.gz PCSKTSSSQABCMN-MRXNPFEDSA-N 1 0 327.428 3.024 50 0 EGAARO CN(CCNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000095379610 218312610 /nfs/dbraw/zinc/31/26/10/218312610.db2.gz AMGWRWSDWRJTRK-LJQANCHMSA-N 1 0 337.467 3.020 50 0 EGAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)cc[nH+]1 ZINC000095388220 218320564 /nfs/dbraw/zinc/32/05/64/218320564.db2.gz RTWUYEBIDBDBIK-QGZVFWFLSA-N 1 0 333.439 3.414 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(COC)c1)C2 ZINC000095391295 218322838 /nfs/dbraw/zinc/32/28/38/218322838.db2.gz DEDDXAAPVNAKQW-PKOBYXMFSA-N 1 0 332.488 3.148 50 0 EGAARO Cc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000006756237 210702523 /nfs/dbraw/zinc/70/25/23/210702523.db2.gz FNIVGISXYQCRDV-UHFFFAOYSA-N 1 0 339.468 3.243 50 0 EGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1F ZINC000004893171 210314945 /nfs/dbraw/zinc/31/49/45/210314945.db2.gz PDPJCNBRQBVQGQ-UHFFFAOYSA-N 1 0 330.378 3.359 50 0 EGAARO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000097463626 219026689 /nfs/dbraw/zinc/02/66/89/219026689.db2.gz JQUMJYNGTWLGRX-KRWDZBQOSA-N 1 0 340.471 3.235 50 0 EGAARO CN(Cc1cnc(-c2ccc(Cl)cc2)nc1)C[C@H]1CCC[NH2+]C1 ZINC000097475087 219028643 /nfs/dbraw/zinc/02/86/43/219028643.db2.gz URFSFOQUUMSJSI-AWEZNQCLSA-N 1 0 330.863 3.228 50 0 EGAARO C[NH2+]C[C@@H]1CCCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000097495099 219029523 /nfs/dbraw/zinc/02/95/23/219029523.db2.gz KNPVKNUVCDQZQP-AWEZNQCLSA-N 1 0 330.863 3.228 50 0 EGAARO COc1ccccc1-c1ncc(C[N@H+](C)C2CCSCC2)cn1 ZINC000097515095 219032795 /nfs/dbraw/zinc/03/27/95/219032795.db2.gz PLNAUVPUYKTDPE-UHFFFAOYSA-N 1 0 329.469 3.480 50 0 EGAARO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 ZINC000097546568 219034767 /nfs/dbraw/zinc/03/47/67/219034767.db2.gz RGVWXDWDQRQTLP-GFCCVEGCSA-N 1 0 332.341 3.191 50 0 EGAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000004746158 210269193 /nfs/dbraw/zinc/26/91/93/210269193.db2.gz CCDISHCCSBCXAE-OAQYLSRUSA-N 1 0 334.463 3.484 50 0 EGAARO O=C(c1cccc(-c2cn[nH]c2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000097575122 219035896 /nfs/dbraw/zinc/03/58/96/219035896.db2.gz KQWPVGNARYECFG-UHFFFAOYSA-N 1 0 338.455 3.167 50 0 EGAARO COCC[NH+]1CCC(C(=O)N(C)[C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000097578969 219036441 /nfs/dbraw/zinc/03/64/41/219036441.db2.gz UKINIFFWEJFEMU-HNNXBMFYSA-N 1 0 343.471 3.046 50 0 EGAARO CC1=CC[C@@H]2CN(C(=O)c3cc(Cl)ccc3OCC[NH3+])C[C@@H]2C1 ZINC000426555460 257962857 /nfs/dbraw/zinc/96/28/57/257962857.db2.gz IIWQZLXYRJTTHE-KGLIPLIRSA-N 1 0 334.847 3.106 50 0 EGAARO C[C@H](CCC(=O)N(C)Cc1cccc2cnccc21)[NH+]1CCCC1 ZINC000299787798 258094599 /nfs/dbraw/zinc/09/45/99/258094599.db2.gz QNSPAOQRMWOFOY-MRXNPFEDSA-N 1 0 325.456 3.458 50 0 EGAARO O=C1C[C@H](C[NH+]2CCC(c3ccncc3)CC2)CN1c1ccccc1 ZINC000299789179 258095581 /nfs/dbraw/zinc/09/55/81/258095581.db2.gz SLMMEPLWHKOIAE-QGZVFWFLSA-N 1 0 335.451 3.314 50 0 EGAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-c3nccs3)c1)C2 ZINC000299797118 258100837 /nfs/dbraw/zinc/10/08/37/258100837.db2.gz OWPGFIXKJABSQZ-JKSUJKDBSA-N 1 0 327.453 3.119 50 0 EGAARO Cc1ccc2c(c1)C[C@@H](C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1)N2 ZINC000299796702 258100905 /nfs/dbraw/zinc/10/09/05/258100905.db2.gz RUEXBMPLLFSHOE-KRWDZBQOSA-N 1 0 329.488 3.099 50 0 EGAARO Cc1cc(O)ccc1C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000299801407 258104330 /nfs/dbraw/zinc/10/43/30/258104330.db2.gz YHXOIMDQZDEROR-GOSISDBHSA-N 1 0 338.451 3.343 50 0 EGAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(OCc2ccco2)cc1 ZINC000299759446 258076630 /nfs/dbraw/zinc/07/66/30/258076630.db2.gz RWSPFRPVTGFJSH-MRXNPFEDSA-N 1 0 343.427 3.464 50 0 EGAARO CCc1csc(C[NH2+]CCC(=O)N2CCCc3ccccc32)n1 ZINC000065436012 132809614 /nfs/dbraw/zinc/80/96/14/132809614.db2.gz ZEUPAULFHSJGGI-UHFFFAOYSA-N 1 0 329.469 3.165 50 0 EGAARO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](Cc3ccc(C)s3)C[C@H]21 ZINC000095355088 274130971 /nfs/dbraw/zinc/13/09/71/274130971.db2.gz LMOMSHDAXPYZOG-IEBWSBKVSA-N 1 0 345.464 3.036 50 0 EGAARO O[C@H](C[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000020218766 275057320 /nfs/dbraw/zinc/05/73/20/275057320.db2.gz DAEOUNAOCCGKMP-GOSISDBHSA-N 1 0 334.822 3.335 50 0 EGAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccn3)=NN12 ZINC000000522622 276152545 /nfs/dbraw/zinc/15/25/45/276152545.db2.gz HPPHKSHFJYBYCM-LJQANCHMSA-N 1 0 348.450 3.437 50 0 EGAARO CCS[C@H](C)C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072429829 276399073 /nfs/dbraw/zinc/39/90/73/276399073.db2.gz MTXPVESVFBKCKH-MRXNPFEDSA-N 1 0 334.529 3.294 50 0 EGAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccc(OC)cc1 ZINC000008970391 277310826 /nfs/dbraw/zinc/31/08/26/277310826.db2.gz XUXDLQWTVPDCFK-SFHVURJKSA-N 1 0 349.390 3.485 50 0 EGAARO Cc1noc2ncnc(N3CC[C@H](C4CC[NH+](CC(C)C)CC4)C3)c12 ZINC000072146025 279260884 /nfs/dbraw/zinc/26/08/84/279260884.db2.gz LTFIYCZPBXEQRI-INIZCTEOSA-N 1 0 343.475 3.121 50 0 EGAARO C[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1(Cl)Cl ZINC000003613241 280146802 /nfs/dbraw/zinc/14/68/02/280146802.db2.gz FZHCVMSHJIOYNO-MRXNPFEDSA-N 1 0 341.282 3.351 50 0 EGAARO COc1ccc(C2(C(=O)N3CCC[C@H]([NH+](C)C)CC3)CCCC2)cc1 ZINC000072164050 295111291 /nfs/dbraw/zinc/11/12/91/295111291.db2.gz JVSBAPBCGYAMPT-SFHVURJKSA-N 1 0 344.499 3.450 50 0 EGAARO CN(C(=O)c1ccc(OCCC[NH3+])c(Cl)c1)C1CCSCC1 ZINC000426640355 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Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000000527387 452614454 /nfs/dbraw/zinc/61/44/54/452614454.db2.gz AHOUBRCZNHFOSL-PBHICJAKSA-N 1 0 329.371 3.327 50 0 investigational EGAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Cl ZINC000002760467 452720716 /nfs/dbraw/zinc/72/07/16/452720716.db2.gz CJZQVGSLLWWNCL-UHFFFAOYSA-N 1 0 343.858 3.491 50 0 EGAARO COc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000002901267 452733874 /nfs/dbraw/zinc/73/38/74/452733874.db2.gz VHQABWCDGKANRB-UHFFFAOYSA-N 1 0 347.411 3.019 50 0 EGAARO C[N@H+](CCO)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000003098241 452741491 /nfs/dbraw/zinc/74/14/91/452741491.db2.gz XMDWWEPHRZWNMA-UHFFFAOYSA-N 1 0 344.480 3.303 50 0 biogenic,in-vitro EGAARO Cc1c(C)n(Cc2ccco2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000005346699 452860630 /nfs/dbraw/zinc/86/06/30/452860630.db2.gz ZWNSEDPUMBGYBA-UHFFFAOYSA-N 1 0 327.432 3.053 50 0 EGAARO CCOCC[NH+]1CCC(CCc2ccccc2)(OC(=O)CC)CC1 ZINC000005416972 452869099 /nfs/dbraw/zinc/86/90/99/452869099.db2.gz 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453854212 /nfs/dbraw/zinc/85/42/12/453854212.db2.gz BHLZVDNPFORIDD-UHFFFAOYSA-N 1 0 344.212 3.069 50 0 EGAARO O=C1COc2ccc(-c3cscn3)cc2N1CC[NH+]1CCCCC1 ZINC000031870000 453856569 /nfs/dbraw/zinc/85/65/69/453856569.db2.gz GDDDUDZGVPXOCG-UHFFFAOYSA-N 1 0 343.452 3.021 50 0 EGAARO CC1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000033821686 453917569 /nfs/dbraw/zinc/91/75/69/453917569.db2.gz CFLFEHOWXPFODO-JHMXRZGDSA-N 1 0 338.451 3.219 50 0 EGAARO CCn1c(CN2CCCC2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000082086995 453922086 /nfs/dbraw/zinc/92/20/86/453922086.db2.gz YZTVKVDEQBWWIJ-UHFFFAOYSA-N 1 0 345.535 3.406 50 0 EGAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000082096568 453923021 /nfs/dbraw/zinc/92/30/21/453923021.db2.gz IQDMBABFZJZQTE-LBPRGKRZSA-N 1 0 333.819 3.182 50 0 EGAARO Cc1cccc(C)c1-n1nnnc1C1(NCc2ccco2)CCCC1 ZINC000035622756 453924443 /nfs/dbraw/zinc/92/44/43/453924443.db2.gz XEDMGGHMBRHHNK-UHFFFAOYSA-N 1 0 337.427 3.431 50 0 EGAARO CC(=O)c1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000082115414 453924859 /nfs/dbraw/zinc/92/48/59/453924859.db2.gz NYWBPGBLBSNGTM-QGZVFWFLSA-N 1 0 328.456 3.370 50 0 EGAARO C[N@@H+]1CCC[C@H](CNC(=O)CSC23CC4CC(CC(C4)C2)C3)C1 ZINC000067712664 453959967 /nfs/dbraw/zinc/95/99/67/453959967.db2.gz YTGCHVHINIXYPV-DGTBMVLOSA-N 1 0 336.545 3.146 50 0 EGAARO Cc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)c2cc3c(cc2[nH+]1)OCO3 ZINC000067725343 453961070 /nfs/dbraw/zinc/96/10/70/453961070.db2.gz UUFHWMXKRDDBFC-CYBMUJFWSA-N 1 0 336.395 3.379 50 0 EGAARO Brc1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042772175 454025142 /nfs/dbraw/zinc/02/51/42/454025142.db2.gz MGVNKPKDNBEIHC-MRVPVSSYSA-N 1 0 335.039 3.200 50 0 EGAARO O=C(Cc1ccc(F)cc1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971612 454084756 /nfs/dbraw/zinc/08/47/56/454084756.db2.gz MRLHYUBOYBYPCX-UHFFFAOYSA-N 1 0 346.471 3.458 50 0 EGAARO Cc1cc(N2CCCN(c3noc(-c4ccccc4)n3)CC2)cc[nH+]1 ZINC000077288198 454086655 /nfs/dbraw/zinc/08/66/55/454086655.db2.gz 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ZINC000071738901 454211425 /nfs/dbraw/zinc/21/14/25/454211425.db2.gz FCLHLFRPVCIYDG-FQEVSTJZSA-N 1 0 344.499 3.478 50 0 EGAARO Cn1cnnc1C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095506200 454223853 /nfs/dbraw/zinc/22/38/53/454223853.db2.gz VTMKULRIZBETBZ-UHFFFAOYSA-N 1 0 332.451 3.397 50 0 EGAARO CCc1cc(N2CCC([N@@H+]3CCc4sccc4C3)CC2)nc(C)n1 ZINC000095506576 454224097 /nfs/dbraw/zinc/22/40/97/454224097.db2.gz JSIUKVKPHPGGIE-UHFFFAOYSA-N 1 0 342.512 3.436 50 0 EGAARO C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1cccnc1)CC2 ZINC000095509038 454225131 /nfs/dbraw/zinc/22/51/31/454225131.db2.gz NIQCCLZNAAWIBI-IBGZPJMESA-N 1 0 335.451 3.176 50 0 EGAARO Nc1cc[nH+]cc1NCc1ccccc1N1C(=O)c2ccccc2C1=O ZINC000095630454 454232195 /nfs/dbraw/zinc/23/21/95/454232195.db2.gz REMISOMSTKMAFR-UHFFFAOYSA-N 1 0 344.374 3.077 50 0 EGAARO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000072127355 454272340 /nfs/dbraw/zinc/27/23/40/454272340.db2.gz SGXLRYLGLGTKGR-LJQANCHMSA-N 1 0 326.419 3.108 50 0 EGAARO CCn1cc(CN2CCC[N@H+](CCCc3ccccc3)CC2)c(C)n1 ZINC000072160934 454272877 /nfs/dbraw/zinc/27/28/77/454272877.db2.gz HQMIMMDYEFWRMC-UHFFFAOYSA-N 1 0 340.515 3.352 50 0 EGAARO OCCCC[NH2+]C1CCN(c2ccc(-c3cscn3)cc2)CC1 ZINC000048148059 454448986 /nfs/dbraw/zinc/44/89/86/454448986.db2.gz YGKPVNPEOXCAEX-UHFFFAOYSA-N 1 0 331.485 3.141 50 0 EGAARO CCc1ccccc1NC(=O)Cn1cnc2cc3c(cc21)OCCO3 ZINC000064794729 454505818 /nfs/dbraw/zinc/50/58/18/454505818.db2.gz BFHCMSCNACKRHI-UHFFFAOYSA-N 1 0 337.379 3.009 50 0 EGAARO COc1cccc(C(=O)NCC2=CC[N@@H+]([C@@H]3C=CCCC3)CC2)c1 ZINC000065410721 454562746 /nfs/dbraw/zinc/56/27/46/454562746.db2.gz MIILZKKBXJDJQP-GOSISDBHSA-N 1 0 326.440 3.166 50 0 EGAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1C[C@@H]1NC(=O)c2ccccc21 ZINC000065453213 454569513 /nfs/dbraw/zinc/56/95/13/454569513.db2.gz SGVVROAGDKAHLB-INIZCTEOSA-N 1 0 347.422 3.121 50 0 EGAARO CC(C)c1noc(C2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000065462978 454571788 /nfs/dbraw/zinc/57/17/88/454571788.db2.gz IFDNYTFSTHLICU-MRXNPFEDSA-N 1 0 348.491 3.164 50 0 EGAARO COCC[N@@H+]1CC[C@@H](c2nc(CC(C)C)nn2-c2ccccc2F)C1 ZINC000065504593 454579685 /nfs/dbraw/zinc/57/96/85/454579685.db2.gz IUGARHLRMKMSFG-OAHLLOKOSA-N 1 0 346.450 3.041 50 0 EGAARO CN(CCC1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000137021924 454765801 /nfs/dbraw/zinc/76/58/01/454765801.db2.gz GHNZYCHEBFYZPR-FQEVSTJZSA-N 1 0 344.499 3.316 50 0 EGAARO Cc1ccc(C[N@@H+](CC(=O)Nc2ccn(C)n2)C2CCCC2)s1 ZINC000252506905 455816359 /nfs/dbraw/zinc/81/63/59/455816359.db2.gz WCVMWZOQVOKOAZ-UHFFFAOYSA-N 1 0 332.473 3.173 50 0 EGAARO C[C@@H](Oc1ccccc1)C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261642737 455919458 /nfs/dbraw/zinc/91/94/58/455919458.db2.gz DPQPVLVEMVASJD-KDOFPFPSSA-N 1 0 344.842 3.280 50 0 EGAARO O=C(Nc1ccc(OCc2ccco2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000299769860 456780110 /nfs/dbraw/zinc/78/01/10/456780110.db2.gz NUKGZLSSAMADNN-MRXNPFEDSA-N 1 0 341.411 3.171 50 0 EGAARO Cc1nn2c(cn[nH]c2=O)c1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000426656914 457873282 /nfs/dbraw/zinc/87/32/82/457873282.db2.gz IAJXSEALKGYFET-AWEZNQCLSA-N 1 0 337.427 3.352 50 0 EGAARO CCc1oc(C(=O)NCc2cc(C3CC3)on2)cc1C[NH+]1CCCC1 ZINC000534642226 459341984 /nfs/dbraw/zinc/34/19/84/459341984.db2.gz ARSVKSXYKAEJRZ-UHFFFAOYSA-N 1 0 343.427 3.233 50 0 EGAARO Cc1c[nH]c(CN(C)C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)n1 ZINC000534673780 459346141 /nfs/dbraw/zinc/34/61/41/459346141.db2.gz BGPGCTBXVBYCEF-UHFFFAOYSA-N 1 0 347.507 3.048 50 0 EGAARO Cc1cc(NCC[C@@H](C)[NH+]2CCN(C)CC2)nc2ccc(F)cc12 ZINC000534590176 478160585 /nfs/dbraw/zinc/16/05/85/478160585.db2.gz NDYZCSHRAAPOGE-OAHLLOKOSA-N 1 0 330.451 3.120 50 0 EGAARO CC(C)=CC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055071955 535342318 /nfs/dbraw/zinc/34/23/18/535342318.db2.gz FWABZEVZXZRQMR-LJQANCHMSA-N 1 0 341.499 3.074 50 0 EGAARO COc1ccc(-c2nc(CN3CC[N@H+](C)[C@@H](C)C3)c(C)o2)c(C)c1C ZINC000216364488 536511943 /nfs/dbraw/zinc/51/19/43/536511943.db2.gz ONJDAIHQDADMIU-ZDUSSCGKSA-N 1 0 343.471 3.411 50 0 EGAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000065525914 546564851 /nfs/dbraw/zinc/56/48/51/546564851.db2.gz FGOGHMQIFSNCKJ-CYBMUJFWSA-N 1 0 349.862 3.389 50 0 EGAARO C[C@@H](c1ccon1)[N@H+](C)[C@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000012200167 1291130176 /nfs/dbraw/zinc/13/01/76/1291130176.db2.gz NQJBGBQUSBPGIG-YOEHRIQHSA-N 1 0 345.418 3.388 50 0 EGAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3ccon3)C2)cc1 ZINC000015065256 1291146039 /nfs/dbraw/zinc/14/60/39/1291146039.db2.gz HPJYMVXXJWITJD-GOSISDBHSA-N 1 0 343.471 3.070 50 0 EGAARO CC1CC[NH+]([C@H]2CCC(=O)N(CCOc3ccc(F)cc3)CC2)CC1 ZINC000015067010 1291146064 /nfs/dbraw/zinc/14/60/64/1291146064.db2.gz NQQGRVSDTBADHD-SFHVURJKSA-N 1 0 348.462 3.318 50 0 EGAARO CC(=O)CCc1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020639458 1291194910 /nfs/dbraw/zinc/19/49/10/1291194910.db2.gz CGUXEYUIMGMKLL-ROUUACIJSA-N 1 0 333.472 3.476 50 0 EGAARO C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1cc2ccc(F)cc2[nH]c1=O ZINC000071712217 1292268302 /nfs/dbraw/zinc/26/83/02/1292268302.db2.gz FRKFOAPSECBAQT-HNNXBMFYSA-N 1 0 340.402 3.015 50 0 EGAARO Cc1c2cc(F)ccc2[nH]c1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000072190003 1292275831 /nfs/dbraw/zinc/27/58/31/1292275831.db2.gz JRWLSPACCUPNFO-UHFFFAOYSA-N 1 0 335.386 3.486 50 0 EGAARO O=C(CCC[NH+]1CCCC1)Nc1ccccc1OC[C@H]1CCCO1 ZINC000828075290 1292427448 /nfs/dbraw/zinc/42/74/48/1292427448.db2.gz DMXHSGANZPSNCX-MRXNPFEDSA-N 1 0 332.444 3.059 50 0 EGAARO COCCC1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095365891 1292944546 /nfs/dbraw/zinc/94/45/46/1292944546.db2.gz AZEAYCPRHVHGDE-LJQANCHMSA-N 1 0 330.472 3.042 50 0 EGAARO Cc1nn(C)c(C)c1C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000237709893 1296259955 /nfs/dbraw/zinc/25/99/55/1296259955.db2.gz ZANYOZZPUSWTGX-UHFFFAOYSA-N 1 0 341.434 3.268 50 0 EGAARO CC(C)(C)OC(=O)CN1Cc2c(ccc(Cl)c2Cl)NC1=[NH2+] ZINC000503713163 1297957924 /nfs/dbraw/zinc/95/79/24/1297957924.db2.gz RYADOUGEVWTOLH-UHFFFAOYSA-N 1 0 330.215 3.497 50 0 EGAARO C/C=C(\C)C[NH+]1CCC(CNC(=O)Cn2ccc3ccccc32)CC1 ZINC000820390540 1319881777 /nfs/dbraw/zinc/88/17/77/1319881777.db2.gz DHUATPHHXOOIAT-IJUHEHPCSA-N 1 0 339.483 3.436 50 0 EGAARO CCC[C@H](Cn1cnc2c(Cl)ccc(Cl)c2c1=O)[NH+](C)C ZINC000822790917 1320123870 /nfs/dbraw/zinc/12/38/70/1320123870.db2.gz ZPESYSCRUIMEDK-SNVBAGLBSA-N 1 0 328.243 3.434 50 0 EGAARO C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCN(Cc2ccco2)CC1 ZINC000823664735 1320196273 /nfs/dbraw/zinc/19/62/73/1320196273.db2.gz DMNBIVQXECTROZ-IBGZPJMESA-N 1 0 326.440 3.180 50 0 EGAARO O[C@H](c1cccs1)C1CC[NH+](C2CSCCSC2)CC1 ZINC000952863773 1334582697 /nfs/dbraw/zinc/58/26/97/1334582697.db2.gz WIABUTPJPOGMSP-HNNXBMFYSA-N 1 0 329.556 3.342 50 0 EGAARO Cc1ccccc1-n1cc(C[N@@H+](C)C2CSCCSC2)cn1 ZINC000952872563 1334584578 /nfs/dbraw/zinc/58/45/78/1334584578.db2.gz RGBYROITBFPTRB-UHFFFAOYSA-N 1 0 333.526 3.461 50 0 EGAARO C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccccc1-n1cccn1 ZINC000952971319 1334627735 /nfs/dbraw/zinc/62/77/35/1334627735.db2.gz NSRQSVPQEXDYJE-MRXNPFEDSA-N 1 0 337.423 3.094 50 0 EGAARO FC(F)(F)CN1CCN(Cc2cc(C[NH+]3CCCC3)cs2)CC1 ZINC000952978364 1334629127 /nfs/dbraw/zinc/62/91/27/1334629127.db2.gz ZDNVJCOXPPYHTA-UHFFFAOYSA-N 1 0 347.450 3.024 50 0 EGAARO COc1ccc(NC(=O)C(C)C)c(NC(=O)C[N@H+](C)C2CCCC2)c1 ZINC000952982918 1334630196 /nfs/dbraw/zinc/63/01/96/1334630196.db2.gz QNBWJMFKZUBTFE-UHFFFAOYSA-N 1 0 347.459 3.103 50 0 EGAARO CCOc1cc(C)c(C[NH2+]CCN2CCC[C@@H](CO)C2)cc1C(C)C ZINC000952984379 1334630737 /nfs/dbraw/zinc/63/07/37/1334630737.db2.gz KXTAMLOMLCPRRQ-GOSISDBHSA-N 1 0 348.531 3.311 50 0 EGAARO O=C(CCCc1ccccc1)N1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC001197022872 1368732522 /nfs/dbraw/zinc/73/25/22/1368732522.db2.gz YFZYGCPSPVPOIA-FQEVSTJZSA-N 1 0 344.499 3.113 50 0 EGAARO CCc1ccccc1OCC[NH+]1CCC2(CC1)C[C@@](C)(O)CCO2 ZINC001704339638 1416448973 /nfs/dbraw/zinc/44/89/73/1416448973.db2.gz UKDVPPYCUGFUBT-IBGZPJMESA-N 1 0 333.472 3.024 50 0 EGAARO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)o1 ZINC001704353167 1416453531 /nfs/dbraw/zinc/45/35/31/1416453531.db2.gz SKHXAPIRELAGRD-INIZCTEOSA-N 1 0 327.428 3.022 50 0 EGAARO COc1cc(OC)c(CN2CC([N@@H+]3CCCC[C@H]3C)C2)cc1Cl ZINC001704353063 1416453735 /nfs/dbraw/zinc/45/37/35/1416453735.db2.gz PJFGQJQZXGZAIW-CYBMUJFWSA-N 1 0 338.879 3.416 50 0 EGAARO Cn1ccc(C2CC[NH+](Cc3nc4ccccc4s3)CC2)cc1=O ZINC001772806472 1441417347 /nfs/dbraw/zinc/41/73/47/1441417347.db2.gz FNWTWJBFBZPITI-UHFFFAOYSA-N 1 0 339.464 3.375 50 0 EGAARO COC(C)(C)C[C@H](C)[N@@H+]1CCCN(C(=O)Cc2ccccc2C)CC1 ZINC001772805107 1441417393 /nfs/dbraw/zinc/41/73/93/1441417393.db2.gz HNNFBKSXNVFKDW-SFHVURJKSA-N 1 0 346.515 3.275 50 0 EGAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000004725458 210261764 /nfs/dbraw/zinc/26/17/64/210261764.db2.gz OHLHKHTUYGIATK-UHFFFAOYSA-N 1 0 340.442 3.397 50 0 EGAARO CC[N@@H+]1CCCC[C@H]1C(=O)N(CCOC)Cc1ccccc1Cl ZINC000097698606 219049847 /nfs/dbraw/zinc/04/98/47/219049847.db2.gz PSSUFDSGDKPYQD-KRWDZBQOSA-N 1 0 338.879 3.189 50 0 EGAARO CCc1ccc(C[N@@H+](CC)Cc2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000055568603 214330751 /nfs/dbraw/zinc/33/07/51/214330751.db2.gz HUNIJEIOTJVRBG-UHFFFAOYSA-N 1 0 346.496 3.179 50 0 EGAARO C[NH+](C)CCN(C(=O)c1ccco1)c1nc2c(cccc2F)s1 ZINC000004359277 210180051 /nfs/dbraw/zinc/18/00/51/210180051.db2.gz NNCNXLLYDJUCPD-UHFFFAOYSA-N 1 0 333.388 3.237 50 0 EGAARO CC1(C)CCC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000004061901 210110218 /nfs/dbraw/zinc/11/02/18/210110218.db2.gz FVPVBDZOGPDGGF-UHFFFAOYSA-N 1 0 325.456 3.175 50 0 biogenic EGAARO COC(=O)CSC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000066055321 215004619 /nfs/dbraw/zinc/00/46/19/215004619.db2.gz VSPNESBZENMODX-UHFFFAOYSA-N 1 0 327.449 3.366 50 0 EGAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3cnccc32)C1 ZINC000067446743 215147234 /nfs/dbraw/zinc/14/72/34/215147234.db2.gz FJVVASITUIBIBR-INIZCTEOSA-N 1 0 325.456 3.333 50 0 EGAARO Cc1ccccc1Oc1ncccc1CNC(=O)[C@H](C)[NH+]1CCCC1 ZINC000067447404 215148832 /nfs/dbraw/zinc/14/88/32/215148832.db2.gz WOVIIYJHEFEJNE-INIZCTEOSA-N 1 0 339.439 3.283 50 0 EGAARO Cc1ccc(N2CCOC2=O)c(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)c1 ZINC000067642625 215171431 /nfs/dbraw/zinc/17/14/31/215171431.db2.gz QURQIDGNQVDXSE-OAHLLOKOSA-N 1 0 338.407 3.189 50 0 EGAARO CC[C@@H](C(=O)Nc1cc(C2=CCC[N@H+](C)C2)nn1C)c1ccccc1 ZINC000067740470 215199709 /nfs/dbraw/zinc/19/97/09/215199709.db2.gz WHIBAKNLKWMORD-QGZVFWFLSA-N 1 0 338.455 3.271 50 0 EGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC[NH2+]CC1 ZINC000067742113 215200560 /nfs/dbraw/zinc/20/05/60/215200560.db2.gz RSPJRDDKXBMLRU-UHFFFAOYSA-N 1 0 339.361 3.464 50 0 EGAARO CCC(=O)NC[C@@H]1CC[N@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000067771750 215207622 /nfs/dbraw/zinc/20/76/22/215207622.db2.gz KXWAIEQNUAUPLP-HNNXBMFYSA-N 1 0 326.440 3.197 50 0 EGAARO C[NH+]1CCC(OCCCn2ccnc2-c2ccc(O)c(Cl)c2)CC1 ZINC000067856091 215233168 /nfs/dbraw/zinc/23/31/68/215233168.db2.gz QNDFRLBEDURXSW-UHFFFAOYSA-N 1 0 349.862 3.410 50 0 EGAARO Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000067921697 215250922 /nfs/dbraw/zinc/25/09/22/215250922.db2.gz GSTGMWDGCZFXKY-AWEZNQCLSA-N 1 0 329.469 3.190 50 0 EGAARO COc1ccc(F)c(-c2nc(CN(C)C[C@@H]3CCC[NH2+]C3)c(C)o2)c1 ZINC000067934265 215252963 /nfs/dbraw/zinc/25/29/63/215252963.db2.gz GLAALTCTQMQZNE-CQSZACIVSA-N 1 0 347.434 3.229 50 0 EGAARO O=C(c1ccncc1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069348486 215381488 /nfs/dbraw/zinc/38/14/88/215381488.db2.gz DLTHOCRRQVUWSB-PMACEKPBSA-N 1 0 335.451 3.351 50 0 EGAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccc(Br)cc1 ZINC000040267847 213285675 /nfs/dbraw/zinc/28/56/75/213285675.db2.gz XKCUOIIJBXANNM-DOTOQJQBSA-N 1 0 343.224 3.374 50 0 EGAARO Cc1c[nH]c(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072127369 216018066 /nfs/dbraw/zinc/01/80/66/216018066.db2.gz FJDQWLKVYBFATJ-HMXCVIKNSA-N 1 0 349.478 3.334 50 0 EGAARO Cc1ccc([C@H]2C[N@H+](Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072142013 216027927 /nfs/dbraw/zinc/02/79/27/216027927.db2.gz TXVKGCDLFLPJCV-YPAWHYETSA-N 1 0 333.479 3.452 50 0 EGAARO Cc1cccnc1[C@H](C)NC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072152136 216041250 /nfs/dbraw/zinc/04/12/50/216041250.db2.gz PHGQWOXJUSGLKE-INIZCTEOSA-N 1 0 337.467 3.423 50 0 EGAARO COC(=O)c1cc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cs1 ZINC000072148149 216035514 /nfs/dbraw/zinc/03/55/14/216035514.db2.gz XWZINIWFIYQSTI-UHFFFAOYSA-N 1 0 344.480 3.161 50 0 EGAARO OCc1ccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)c(CO)c1 ZINC000072167052 216057400 /nfs/dbraw/zinc/05/74/00/216057400.db2.gz NRWUQLIUMUREQQ-LJQANCHMSA-N 1 0 341.451 3.119 50 0 EGAARO CCc1oc2c(cc(NC(=O)C[C@H]3COCC[NH2+]3)cc2Cl)c1C ZINC000072169386 216060286 /nfs/dbraw/zinc/06/02/86/216060286.db2.gz TZHKEWDKZSCGIR-LBPRGKRZSA-N 1 0 336.819 3.274 50 0 EGAARO CCCCC(=O)N1C[C@@H](c2ccccc2OC)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072170127 216061784 /nfs/dbraw/zinc/06/17/84/216061784.db2.gz BRWYLKYVXUMRKO-IOMROCGXSA-N 1 0 342.483 3.274 50 0 EGAARO COCCc1noc([C@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000072171253 216062495 /nfs/dbraw/zinc/06/24/95/216062495.db2.gz ZAXQXCMDWBEWTF-NSHDSACASA-N 1 0 341.864 3.353 50 0 EGAARO Cc1nc([C@@]2(O)CCC[NH2+]CC2)sc1CCOc1ccccc1 ZINC000072343616 216158939 /nfs/dbraw/zinc/15/89/39/216158939.db2.gz GGEQJTHPORRKGQ-GOSISDBHSA-N 1 0 332.469 3.034 50 0 EGAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)c1ncoc1-c1ccccc1 ZINC000072430448 216222170 /nfs/dbraw/zinc/22/21/70/216222170.db2.gz XQAJMHRDBOWIRW-MRXNPFEDSA-N 1 0 327.428 3.288 50 0 EGAARO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@@H+](Cc4ccoc4)CC[C@H]32)o1 ZINC000072430671 216223705 /nfs/dbraw/zinc/22/37/05/216223705.db2.gz QWNLCXKUZJAZOM-PKOBYXMFSA-N 1 0 342.439 3.237 50 0 EGAARO CCNc1nc(NCCNC(=O)Nc2ccc(C)c(C)c2)cc(C)[nH+]1 ZINC000072446722 216235896 /nfs/dbraw/zinc/23/58/96/216235896.db2.gz SIQVJGVWKXEOSW-UHFFFAOYSA-N 1 0 342.447 3.067 50 0 EGAARO CCN1C[C@@]2(CCC[N@H+](CCCC(=O)c3ccccc3)C2)CCC1=O ZINC000072469859 216249297 /nfs/dbraw/zinc/24/92/97/216249297.db2.gz LTGNLWWRYFOUGV-NRFANRHFSA-N 1 0 342.483 3.374 50 0 EGAARO Cc1[nH+]c(CN2CCC([C@@H](O)Cc3ccccc3)CC2)c2ccccn12 ZINC000072477511 216255242 /nfs/dbraw/zinc/25/52/42/216255242.db2.gz LLUZRMVABRXKDW-QFIPXVFZSA-N 1 0 349.478 3.458 50 0 EGAARO Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027664237 212572191 /nfs/dbraw/zinc/57/21/91/212572191.db2.gz QFCQUZPMZXBRQD-MRXNPFEDSA-N 1 0 344.480 3.389 50 0 EGAARO COc1ccc(C[N@H+](C)[C@@H]2CCOC(C)(C)C2)cc1Cn1cccn1 ZINC000215211924 241112264 /nfs/dbraw/zinc/11/22/64/241112264.db2.gz ULEOBWMKHAGZOY-GOSISDBHSA-N 1 0 343.471 3.329 50 0 EGAARO CCc1ncc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)cn1 ZINC000215262586 241113123 /nfs/dbraw/zinc/11/31/23/241113123.db2.gz VVAGNAZDGUXNDV-MRXNPFEDSA-N 1 0 335.455 3.305 50 0 EGAARO C[NH+](C)CCN(C(=O)c1cccc2ccccc21)C1CCOCC1 ZINC000206665188 241047445 /nfs/dbraw/zinc/04/74/45/241047445.db2.gz OXRKGQXXJCYMPV-UHFFFAOYSA-N 1 0 326.440 3.023 50 0 EGAARO O=C(c1ccccc1)[C@@H](C[NH2+][C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000022042269 212273080 /nfs/dbraw/zinc/27/30/80/212273080.db2.gz DDLAHAHXSPIZQL-LEWJYISDSA-N 1 0 334.463 3.337 50 0 EGAARO CCN(C(=O)CC[N@@H+]1CCC[C@H](C(C)(C)O)C1)c1ccccc1C ZINC000244874450 243096025 /nfs/dbraw/zinc/09/60/25/243096025.db2.gz XBMWKXJKVAXDNC-KRWDZBQOSA-N 1 0 332.488 3.221 50 0 EGAARO CC[NH+]1CCC(NC(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000020608745 212153590 /nfs/dbraw/zinc/15/35/90/212153590.db2.gz VYVPAGCNBZQARM-NSHDSACASA-N 1 0 345.270 3.361 50 0 EGAARO CCOc1ccccc1CN1CC[N@H+](CC(C)(C)C)C[C@@H]1CCO ZINC000020536800 212144470 /nfs/dbraw/zinc/14/44/70/212144470.db2.gz BPSDJOVEBOTWGX-SFHVURJKSA-N 1 0 334.504 3.000 50 0 EGAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(O)c1)[NH2+]CC2 ZINC000020506882 212141063 /nfs/dbraw/zinc/14/10/63/212141063.db2.gz PHEFTDKXUGQZBE-HXUWFJFHSA-N 1 0 343.423 3.433 50 0 biogenic EGAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(O)c(OC)c1)[NH2+]CC2 ZINC000020506858 212141191 /nfs/dbraw/zinc/14/11/91/212141191.db2.gz FIOGILVMPYJRHT-FQEVSTJZSA-N 1 0 343.423 3.433 50 0 biogenic EGAARO CCOc1ccc(Br)cc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000020476884 212135983 /nfs/dbraw/zinc/13/59/83/212135983.db2.gz KJVBFJBXGYSDFK-HNNXBMFYSA-N 1 0 339.277 3.032 50 0 EGAARO CCOCCCNC(=O)C1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000019907683 212081779 /nfs/dbraw/zinc/08/17/79/212081779.db2.gz HKCSUVRYUYCLNS-FBMGVBCBSA-N 1 0 344.499 3.345 50 0 EGAARO COc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000019894207 212080527 /nfs/dbraw/zinc/08/05/27/212080527.db2.gz ALJMMLXGHDBTQW-UHFFFAOYSA-N 1 0 330.472 3.356 50 0 EGAARO CCOc1ccc2ccccc2c1C[NH2+]CCCN1CCOCC1 ZINC000019871721 212077899 /nfs/dbraw/zinc/07/78/99/212077899.db2.gz YQWBZPMHXLSDPD-UHFFFAOYSA-N 1 0 328.456 3.050 50 0 EGAARO Cc1ncc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000019839082 212073869 /nfs/dbraw/zinc/07/38/69/212073869.db2.gz BHOPTYJPAHGKMN-SFHVURJKSA-N 1 0 328.435 3.021 50 0 EGAARO Cc1cccc(OCC(=O)N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000019842065 212075400 /nfs/dbraw/zinc/07/54/00/212075400.db2.gz BLTVJIOUOBVHFJ-AEFFLSMTSA-N 1 0 330.472 3.097 50 0 EGAARO c1[nH]c2ccccc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019537029 212041206 /nfs/dbraw/zinc/04/12/06/212041206.db2.gz COEIFRBEMCGQEN-UHFFFAOYSA-N 1 0 349.434 3.214 50 0 EGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)CC1 ZINC000016580435 211916061 /nfs/dbraw/zinc/91/60/61/211916061.db2.gz AKQKTUPAUDMADZ-LBPRGKRZSA-N 1 0 342.842 3.237 50 0 EGAARO COc1ccccc1C[N@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000014989887 211784991 /nfs/dbraw/zinc/78/49/91/211784991.db2.gz ZOQIKHNIFCMVCY-UHFFFAOYSA-N 1 0 342.414 3.069 50 0 EGAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](C/C(C)=C/c2ccco2)C1 ZINC000012387551 211364823 /nfs/dbraw/zinc/36/48/23/211364823.db2.gz FTGIKTFLROCENR-NRMGUKERSA-N 1 0 335.444 3.365 50 0 EGAARO O=C(N1CCC[C@H](Nc2ccccc2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000012201228 211319035 /nfs/dbraw/zinc/31/90/35/211319035.db2.gz SYNGXBRYMRBAED-IBGZPJMESA-N 1 0 341.499 3.498 50 0 EGAARO O=C1O[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2N1CCc1cccc(Cl)c1 ZINC000012196235 211317659 /nfs/dbraw/zinc/31/76/59/211317659.db2.gz RJZYAMINQFBKJI-DLBZAZTESA-N 1 0 334.847 3.330 50 0 EGAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1)c1ccc(F)cc1 ZINC000012073166 211286262 /nfs/dbraw/zinc/28/62/62/211286262.db2.gz GTBVXQOQDMYBAI-INIZCTEOSA-N 1 0 342.414 3.173 50 0 EGAARO Cc1cc(C[N@@H+](C)[C@@H]2CCC(=O)N(Cc3cccc(C)c3)CC2)on1 ZINC000012037926 211283565 /nfs/dbraw/zinc/28/35/65/211283565.db2.gz MBMNVRRZMDKCMT-GOSISDBHSA-N 1 0 341.455 3.305 50 0 EGAARO Cc1cc(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)nc(N)[nH+]1 ZINC000091411558 218001913 /nfs/dbraw/zinc/00/19/13/218001913.db2.gz OJHCXGGUDMGXHK-HNNXBMFYSA-N 1 0 332.411 3.314 50 0 EGAARO C[NH+](C)C1(CNC(=O)c2ccccc2Br)CCCCC1 ZINC000011917177 211270344 /nfs/dbraw/zinc/27/03/44/211270344.db2.gz SPKZPWZDLLPBKH-UHFFFAOYSA-N 1 0 339.277 3.443 50 0 EGAARO Cc1nc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)cs1 ZINC000011815667 211251011 /nfs/dbraw/zinc/25/10/11/211251011.db2.gz ZMZLCJBUJLENQM-INIZCTEOSA-N 1 0 329.469 3.188 50 0 EGAARO O=C(c1ccco1)N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000011844258 211256055 /nfs/dbraw/zinc/25/60/55/211256055.db2.gz UFPZPPMDOJYDOS-SFHVURJKSA-N 1 0 339.439 3.049 50 0 EGAARO CC(C)[N@@H+]1CCC[C@H](CN(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC000091587107 218027192 /nfs/dbraw/zinc/02/71/92/218027192.db2.gz HPLOLHHGNUZSNV-LJQANCHMSA-N 1 0 345.531 3.264 50 0 EGAARO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000091696207 218050607 /nfs/dbraw/zinc/05/06/07/218050607.db2.gz UNWHCTMDYJWQSA-GOSISDBHSA-N 1 0 344.499 3.315 50 0 EGAARO Cc1nc2c(ncnc2NC[C@H]2CC[N@H+](Cc3ccccc3C)C2)o1 ZINC000091645040 218038848 /nfs/dbraw/zinc/03/88/48/218038848.db2.gz OBKVFRLKJYAZJS-OAHLLOKOSA-N 1 0 337.427 3.169 50 0 EGAARO CC(C)Cc1cc(C(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)on1 ZINC000092061598 218111478 /nfs/dbraw/zinc/11/14/78/218111478.db2.gz UFBINHQEVKCXQB-KRWDZBQOSA-N 1 0 329.444 3.296 50 0 EGAARO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[N@@H+]1CCc2ccccc2C1 ZINC000010434715 211172366 /nfs/dbraw/zinc/17/23/66/211172366.db2.gz DPTCMAQAMFSUSH-UTANWOJPSA-N 1 0 341.495 3.391 50 0 EGAARO CC(C)[NH+]1CCC(CC(=O)N[C@@H](c2ccccn2)C(F)(F)F)CC1 ZINC000095351986 218285591 /nfs/dbraw/zinc/28/55/91/218285591.db2.gz YNRSODPZZLYNBJ-INIZCTEOSA-N 1 0 343.393 3.312 50 0 EGAARO CSc1nccc(N2CCC([NH2+][C@@H](C)c3nc(C)cs3)CC2)n1 ZINC000095356089 218289612 /nfs/dbraw/zinc/28/96/12/218289612.db2.gz NCXSLBWRHJQHRB-LBPRGKRZSA-N 1 0 349.529 3.283 50 0 EGAARO CSc1nccc(N2CCC([NH2+][C@H](C)c3nc(C)cs3)CC2)n1 ZINC000095356088 218289727 /nfs/dbraw/zinc/28/97/27/218289727.db2.gz NCXSLBWRHJQHRB-GFCCVEGCSA-N 1 0 349.529 3.283 50 0 EGAARO c1cc2c(ncnc2N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)[nH]1 ZINC000095358095 218291932 /nfs/dbraw/zinc/29/19/32/218291932.db2.gz FROZZNIPSZWQPR-IAGOWNOFSA-N 1 0 333.439 3.059 50 0 EGAARO CC[NH+]1CCC(CC(=O)NCCc2ccccc2C(F)(F)F)CC1 ZINC000095365492 218298281 /nfs/dbraw/zinc/29/82/81/218298281.db2.gz RXIQVOADFUBLSO-UHFFFAOYSA-N 1 0 342.405 3.486 50 0 EGAARO CCSc1ncc(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)cn1 ZINC000095368666 218301765 /nfs/dbraw/zinc/30/17/65/218301765.db2.gz YOJGDQAJDCRKPZ-FUHWJXTLSA-N 1 0 346.544 3.451 50 0 EGAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCOCc1ccc(Cl)cc1 ZINC000095377104 218310029 /nfs/dbraw/zinc/31/00/29/218310029.db2.gz LKKMRJURQSEFCU-KRWDZBQOSA-N 1 0 338.879 3.237 50 0 EGAARO CCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008714114 210987918 /nfs/dbraw/zinc/98/79/18/210987918.db2.gz SKNFWYDQTDQUHE-UHFFFAOYSA-N 1 0 328.412 3.411 50 0 EGAARO CCOC(=O)[C@H]1CCC[N@H+](CCCCOc2cccc(OC)c2)C1 ZINC000006703651 210686534 /nfs/dbraw/zinc/68/65/34/210686534.db2.gz RTJIGLPANWGWLH-INIZCTEOSA-N 1 0 335.444 3.129 50 0 EGAARO CC(C)C(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCCCC1)n2C ZINC000005856793 210548413 /nfs/dbraw/zinc/54/84/13/210548413.db2.gz PXOANMGXVZJZHB-UHFFFAOYSA-N 1 0 328.460 3.196 50 0 EGAARO CC(=O)OC[C@@]12CO[C@H](C[NH+]3CCCCC3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C ZINC000005092212 210388174 /nfs/dbraw/zinc/38/81/74/210388174.db2.gz DMZHTDDKCJBBRN-LWASTNQWSA-N 1 0 335.488 3.269 50 0 biogenic EGAARO CC[NH+](CC)CCSc1nnc2c3cc(C)ccc3n(C)c2n1 ZINC000005050985 210375956 /nfs/dbraw/zinc/37/59/56/210375956.db2.gz NHSTUQXLCMTTII-UHFFFAOYSA-N 1 0 329.473 3.259 50 0 EGAARO COc1cc(Cl)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000097528087 219033316 /nfs/dbraw/zinc/03/33/16/219033316.db2.gz IRQDVYNFDYEIQK-LLVKDONJSA-N 1 0 345.270 3.291 50 0 EGAARO Cc1cc(C)n(CCNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)n1 ZINC000097527228 219033500 /nfs/dbraw/zinc/03/35/00/219033500.db2.gz NHEIYGZLDUSJIW-INIZCTEOSA-N 1 0 344.459 3.070 50 0 EGAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000097594941 219037198 /nfs/dbraw/zinc/03/71/98/219037198.db2.gz BZWPFKRTCBQLQM-UHFFFAOYSA-N 1 0 340.471 3.415 50 0 EGAARO CN(CCc1ccccn1)C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000426419896 257968667 /nfs/dbraw/zinc/96/86/67/257968667.db2.gz CPGGDODBSDZVAY-UHFFFAOYSA-N 1 0 344.503 3.064 50 0 EGAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cc(Cl)cn3C)CC2)o1 ZINC000299779490 258088938 /nfs/dbraw/zinc/08/89/38/258088938.db2.gz RSBYWYPJZVGNIW-UHFFFAOYSA-N 1 0 349.862 3.222 50 0 EGAARO CCn1cc(-c2cccc(C(=O)NCCNc3cc[nH+]cc3C)c2)cn1 ZINC000299795708 258100394 /nfs/dbraw/zinc/10/03/94/258100394.db2.gz LTPBVEYILZTROP-UHFFFAOYSA-N 1 0 349.438 3.115 50 0 EGAARO CC(=O)Nc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)CO)cc1 ZINC000055061027 258061007 /nfs/dbraw/zinc/06/10/07/258061007.db2.gz RBFHBQMPBPSGRK-MRXNPFEDSA-N 1 0 326.440 3.276 50 0 EGAARO Cc1cc(NC(=O)[C@H]2CCC[N@@H+](C)C2)n(Cc2ccccc2Cl)n1 ZINC000055060765 258061278 /nfs/dbraw/zinc/06/12/78/258061278.db2.gz ACTIZDUNFOZFSK-HNNXBMFYSA-N 1 0 346.862 3.174 50 0 EGAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2cc(Cl)cn2C)C1 ZINC000299756395 258075073 /nfs/dbraw/zinc/07/50/73/258075073.db2.gz HUBOLPPZKISNBY-OAHLLOKOSA-N 1 0 345.874 3.206 50 0 EGAARO O=C(c1ccccc1)N1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC000097132256 162047430 /nfs/dbraw/zinc/04/74/30/162047430.db2.gz KXHVMOWDTOFWOC-UHFFFAOYSA-N 1 0 338.451 3.304 50 0 EGAARO COc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000005704777 274105379 /nfs/dbraw/zinc/10/53/79/274105379.db2.gz RJGZNMIDMITMDF-MZEUMTGBSA-N 1 0 340.423 3.255 50 0 EGAARO COc1ccnc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072146885 274163621 /nfs/dbraw/zinc/16/36/21/274163621.db2.gz TYFQQPLLCCYAMD-YPAWHYETSA-N 1 0 349.478 3.152 50 0 EGAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cnc(N)nc2)c1 ZINC000015074009 274688547 /nfs/dbraw/zinc/68/85/47/274688547.db2.gz JLEBZLHNSJTAMU-GOSISDBHSA-N 1 0 348.454 3.029 50 0 EGAARO COc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1O ZINC000011662169 275120187 /nfs/dbraw/zinc/12/01/87/275120187.db2.gz MUMHCQHBISYEPQ-OAQYLSRUSA-N 1 0 341.451 3.218 50 0 EGAARO CC[NH+](CC)C[C@@H]1CCCN1Cc1cn(-c2ccccc2)nc1C ZINC000222265357 276105794 /nfs/dbraw/zinc/10/57/94/276105794.db2.gz XNSQLHFESUMOPO-FQEVSTJZSA-N 1 0 326.488 3.487 50 0 EGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(F)cc2)N3)C1 ZINC000006891463 276236791 /nfs/dbraw/zinc/23/67/91/276236791.db2.gz RBIUTPQVDXLXTM-HNNXBMFYSA-N 1 0 331.416 3.119 50 0 EGAARO Cc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCO2)[NH+](C)C ZINC000090607307 278952525 /nfs/dbraw/zinc/95/25/25/278952525.db2.gz QINPAOZDUUKHIG-GOSISDBHSA-N 1 0 339.439 3.354 50 0 EGAARO CC[N@H+](C)C1(CNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)CCCCC1 ZINC000095384674 279029483 /nfs/dbraw/zinc/02/94/83/279029483.db2.gz KTXFWFMNJRLBPL-GOSISDBHSA-N 1 0 349.494 3.199 50 0 EGAARO O=C1N(CC2CCCCC2)CCC[C@]12CC[N@@H+](C1CCOCC1)C2 ZINC000014977589 280276160 /nfs/dbraw/zinc/27/61/60/280276160.db2.gz KZJUKLGSMOVTOA-HXUWFJFHSA-N 1 0 334.504 3.060 50 0 EGAARO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000449428939 310061404 /nfs/dbraw/zinc/06/14/04/310061404.db2.gz UNUQMOJLRZRNNW-PKOBYXMFSA-N 1 0 326.440 3.350 50 0 EGAARO COc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1 ZINC000000189272 452530849 /nfs/dbraw/zinc/53/08/49/452530849.db2.gz AWPDVLXZHUFYBN-YJYMSZOUSA-N 1 0 329.396 3.022 50 0 biogenic EGAARO COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000004029333 452791259 /nfs/dbraw/zinc/79/12/59/452791259.db2.gz VUJZEAKYGMRHEZ-CVEARBPZSA-N 1 0 341.407 3.077 50 0 biogenic EGAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccn2)N3)C1 ZINC000006417151 452942693 /nfs/dbraw/zinc/94/26/93/452942693.db2.gz BQBZZLKSTOEYMF-HNNXBMFYSA-N 1 0 328.441 3.339 50 0 EGAARO COc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OC ZINC000007274854 453053369 /nfs/dbraw/zinc/05/33/69/453053369.db2.gz IAKIOZVBCPDIDE-UHFFFAOYSA-N 1 0 337.217 3.151 50 0 EGAARO COc1ccc(CN2CC[N@H+](C[C@H]3CC=CCC3)CCC2=O)cc1 ZINC000014981331 453549567 /nfs/dbraw/zinc/54/95/67/453549567.db2.gz ZUGMXGQPSKOEIP-KRWDZBQOSA-N 1 0 328.456 3.086 50 0 EGAARO CN(CCCC1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000015079858 453554257 /nfs/dbraw/zinc/55/42/57/453554257.db2.gz UAWHPCCIKUMSNC-LJQANCHMSA-N 1 0 349.563 3.221 50 0 EGAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1 ZINC000016602495 453615101 /nfs/dbraw/zinc/61/51/01/453615101.db2.gz FPLFNEIQJBNCNW-AWEZNQCLSA-N 1 0 338.879 3.406 50 0 EGAARO COc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020218820 453663054 /nfs/dbraw/zinc/66/30/54/453663054.db2.gz QTUJGFFSRSSKBC-IBGZPJMESA-N 1 0 346.858 3.204 50 0 EGAARO Cc1ccc2nc(C)c(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000020776377 453668779 /nfs/dbraw/zinc/66/87/79/453668779.db2.gz APADIRYCKIKZBC-UHFFFAOYSA-N 1 0 346.434 3.209 50 0 EGAARO Ic1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000034568559 453920201 /nfs/dbraw/zinc/92/02/01/453920201.db2.gz OADCVVWLHQWRPD-UHFFFAOYSA-N 1 0 331.197 3.156 50 0 EGAARO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000036047203 453925272 /nfs/dbraw/zinc/92/52/72/453925272.db2.gz NZUUPLWSKJXMDC-NJAFHUGGSA-N 1 0 326.440 3.282 50 0 EGAARO Cc1ccc2c(C)cc(N3CC[NH+](C4CCOCC4)CC3)nc2c1C ZINC000067818486 453968939 /nfs/dbraw/zinc/96/89/39/453968939.db2.gz PKQQURXQPDSYNU-UHFFFAOYSA-N 1 0 339.483 3.461 50 0 EGAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncc1Br ZINC000042783496 454024804 /nfs/dbraw/zinc/02/48/04/454024804.db2.gz HGMURYNQWQEWPR-UHFFFAOYSA-N 1 0 346.272 3.475 50 0 EGAARO CC(C)CCN1C[C@@]2(CCC[N@H+](Cc3ccccn3)C2)CCC1=O ZINC000077320427 454090461 /nfs/dbraw/zinc/09/04/61/454090461.db2.gz HIGLOFKYOPVLRS-FQEVSTJZSA-N 1 0 329.488 3.332 50 0 EGAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000077337887 454093271 /nfs/dbraw/zinc/09/32/71/454093271.db2.gz PBFHLHXEZNIFCE-HNNXBMFYSA-N 1 0 343.427 3.089 50 0 EGAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077440528 454106217 /nfs/dbraw/zinc/10/62/17/454106217.db2.gz IQMLTJARSVZNGD-FQEVSTJZSA-N 1 0 328.456 3.062 50 0 EGAARO c1ccc2c(c1)CCCN2CCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077505327 454115572 /nfs/dbraw/zinc/11/55/72/454115572.db2.gz ATMKBGWRWGVCJW-LJQANCHMSA-N 1 0 344.499 3.147 50 0 EGAARO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044932086 454127197 /nfs/dbraw/zinc/12/71/97/454127197.db2.gz PCOTXPIGFZIQQE-UHFFFAOYSA-N 1 0 344.405 3.493 50 0 EGAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccco3)C2)c(C)c1F ZINC000071278573 454204096 /nfs/dbraw/zinc/20/40/96/454204096.db2.gz ICCWKIKRMVWHBQ-HNNXBMFYSA-N 1 0 330.403 3.287 50 0 EGAARO CC[NH+](CC)CCNC(=O)c1cc(N2CCCCCCCC2)ccn1 ZINC000071708000 454209962 /nfs/dbraw/zinc/20/99/62/454209962.db2.gz HMZJKQUDRVZEPX-UHFFFAOYSA-N 1 0 346.519 3.314 50 0 EGAARO COc1ccc([C@@H]2C[N@H+](Cc3ccco3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071721315 454211448 /nfs/dbraw/zinc/21/14/48/454211448.db2.gz MITFJYQMNIDFEZ-PWRODBHTSA-N 1 0 338.451 3.350 50 0 EGAARO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@](C)(O)C3)c(C)o2)c1 ZINC000071748915 454213412 /nfs/dbraw/zinc/21/34/12/454213412.db2.gz AWYUHGCWEZQLQT-SFHVURJKSA-N 1 0 334.391 3.145 50 0 EGAARO COc1ccc(C(=O)NC2CCC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095500212 454222398 /nfs/dbraw/zinc/22/23/98/454222398.db2.gz GXMQQAFWYPUOMF-UHFFFAOYSA-N 1 0 346.471 3.229 50 0 EGAARO CCCc1cc(N2CCC([N@H+](C)C[C@H]3CCCCO3)CC2)nc(C)n1 ZINC000095513245 454225077 /nfs/dbraw/zinc/22/50/77/454225077.db2.gz IQNMXVYGGKGLRT-LJQANCHMSA-N 1 0 346.519 3.207 50 0 EGAARO CSCCCNC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000095520535 454226343 /nfs/dbraw/zinc/22/63/43/454226343.db2.gz YZCJUNPOCLFLAY-UHFFFAOYSA-N 1 0 337.489 3.034 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000096137897 454292181 /nfs/dbraw/zinc/29/21/81/454292181.db2.gz ZKGXAYLZVOLZKS-CQSZACIVSA-N 1 0 339.443 3.167 50 0 EGAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000097117523 454412974 /nfs/dbraw/zinc/41/29/74/454412974.db2.gz LWSZDEHRMOLZAW-OAQYLSRUSA-N 1 0 340.467 3.164 50 0 EGAARO O=C1N(CC2CCC2)CCC[C@]12CC[N@H+](Cc1cc(C3CC3)on1)C2 ZINC000091780714 454470803 /nfs/dbraw/zinc/47/08/03/454470803.db2.gz USDZDWRACLHOFN-HXUWFJFHSA-N 1 0 343.471 3.167 50 0 EGAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000048311023 454471751 /nfs/dbraw/zinc/47/17/51/454471751.db2.gz LRRTYHBIMCLVHO-INIZCTEOSA-N 1 0 346.496 3.240 50 0 EGAARO COc1cccc([C@@H](O)C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000065255272 454545811 /nfs/dbraw/zinc/54/58/11/454545811.db2.gz GIWYHGDLTUSFSJ-NRFANRHFSA-N 1 0 340.467 3.168 50 0 biogenic EGAARO COc1cccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000065364571 454554463 /nfs/dbraw/zinc/55/44/63/454554463.db2.gz GHKOVFVQJSITOM-UHFFFAOYSA-N 1 0 340.423 3.421 50 0 EGAARO CN(Cc1ccoc1)C(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065371065 454554855 /nfs/dbraw/zinc/55/48/55/454554855.db2.gz QWSKRCVCGTZAQW-UHFFFAOYSA-N 1 0 348.830 3.093 50 0 EGAARO CCOc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)ccc1O ZINC000065372395 454555225 /nfs/dbraw/zinc/55/52/25/454555225.db2.gz BATYSJKCWYQHQK-PKOBYXMFSA-N 1 0 345.414 3.280 50 0 EGAARO CC(C)N(Cc1nccn1C)C(=O)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000065502464 454579147 /nfs/dbraw/zinc/57/91/47/454579147.db2.gz CMFJCMGEDUZSHV-QGZVFWFLSA-N 1 0 346.519 3.202 50 0 EGAARO O=C(C[NH2+][C@@H](c1cccs1)C1CCCCC1)Nc1cnccn1 ZINC000065509287 454580163 /nfs/dbraw/zinc/58/01/63/454580163.db2.gz OTULKGWDCCYRCS-QGZVFWFLSA-N 1 0 330.457 3.388 50 0 EGAARO Cc1ccccc1-c1noc(C[NH2+][C@@H](Cn2ccnc2)C(C)C)n1 ZINC000065509055 454580564 /nfs/dbraw/zinc/58/05/64/454580564.db2.gz JELBWASLNKPROO-INIZCTEOSA-N 1 0 325.416 3.056 50 0 EGAARO O=C(c1ccccn1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106580845 454703277 /nfs/dbraw/zinc/70/32/77/454703277.db2.gz OIXBDLWIKITHDB-VQTJNVASSA-N 1 0 335.451 3.351 50 0 EGAARO O=C(c1ccncc1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106638371 454709108 /nfs/dbraw/zinc/70/91/08/454709108.db2.gz DLTHOCRRQVUWSB-WOJBJXKFSA-N 1 0 335.451 3.351 50 0 EGAARO CC[N@H+](C)C1(CNC(=O)c2c(C)n(C)c3ccc(O)cc32)CCCC1 ZINC000252488524 455810304 /nfs/dbraw/zinc/81/03/04/455810304.db2.gz IUEUYORJAMDSNJ-UHFFFAOYSA-N 1 0 343.471 3.187 50 0 EGAARO O=C(CC[N@@H+]1CCOC2(CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000252509574 455817459 /nfs/dbraw/zinc/81/74/59/455817459.db2.gz YQQREDJWRBDJQX-UHFFFAOYSA-N 1 0 340.826 3.453 50 0 EGAARO CN(C)c1ccc(CCC(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000221308837 456041980 /nfs/dbraw/zinc/04/19/80/456041980.db2.gz PWGPILWWFDPSLJ-UHFFFAOYSA-N 1 0 331.504 3.066 50 0 EGAARO CC1(C)[C@@H]2C[C@H]1C(CCNc1cc(C3CC(O)C3)[nH+]c(N)n1)=CC2 ZINC000222982508 456052954 /nfs/dbraw/zinc/05/29/54/456052954.db2.gz PVQDJIVLKPHSTJ-SHWKFHJASA-N 1 0 328.460 3.092 50 0 EGAARO O=C(CC[NH+]1CCCC1)N[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000223840045 456061150 /nfs/dbraw/zinc/06/11/50/456061150.db2.gz RQMPWYXHEJKFKW-IBGZPJMESA-N 1 0 343.858 3.427 50 0 EGAARO O=C(Cc1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225684597 456102643 /nfs/dbraw/zinc/10/26/43/456102643.db2.gz KEDAOHQDOUKPNP-HXUWFJFHSA-N 1 0 338.426 3.027 50 0 EGAARO Cc1c(NC(=O)N2CCC[C@H]([NH+](C)C)C2)cccc1-n1cccc1 ZINC000299774555 456779684 /nfs/dbraw/zinc/77/96/84/456779684.db2.gz HESCSLXKOSOXNJ-INIZCTEOSA-N 1 0 326.444 3.344 50 0 EGAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1conc1-c1ccccc1 ZINC000426398301 457820095 /nfs/dbraw/zinc/82/00/95/457820095.db2.gz ZZTJBVJTXATPFS-UHFFFAOYSA-N 1 0 327.428 3.288 50 0 EGAARO CO[C@]12CC[N@H+](Cc3ccc(C(C)C)cc3)[C@H]1C[C@H](OCCO)CC2 ZINC000426420411 457828392 /nfs/dbraw/zinc/82/83/92/457828392.db2.gz BVXJUJBDBXFKDS-QHAWAJNXSA-N 1 0 347.499 3.331 50 0 EGAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1cccc2cccnc21 ZINC000426493257 457842286 /nfs/dbraw/zinc/84/22/86/457842286.db2.gz SIUPQIUFFJFPKM-GOSISDBHSA-N 1 0 340.471 3.251 50 0 EGAARO COc1ccc2cc([C@@H](C)NC(=O)NCC3CC[NH2+]CC3)ccc2c1 ZINC000426538609 457851766 /nfs/dbraw/zinc/85/17/66/457851766.db2.gz QJEJWSNAGJIUGZ-CQSZACIVSA-N 1 0 341.455 3.208 50 0 EGAARO Cc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000426545355 457852696 /nfs/dbraw/zinc/85/26/96/457852696.db2.gz QCMVGFNKVWGODA-INIZCTEOSA-N 1 0 330.476 3.190 50 0 EGAARO CN(CCCSc1ccccc1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000426551103 457854610 /nfs/dbraw/zinc/85/46/10/457854610.db2.gz KXLQBBZYLMXWMP-INIZCTEOSA-N 1 0 335.517 3.295 50 0 EGAARO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(Sc3ccc(C)cc3)CC2)C1 ZINC000584897115 459820748 /nfs/dbraw/zinc/82/07/48/459820748.db2.gz DVDYFLAXXSXFGJ-INIZCTEOSA-N 1 0 347.528 3.355 50 0 EGAARO CSc1ccc2nc(NCC[NH+]3CCC(CO)CC3)cc(C)c2c1 ZINC000534629855 478163263 /nfs/dbraw/zinc/16/32/63/478163263.db2.gz LDRVPRQHEBYYIX-UHFFFAOYSA-N 1 0 345.512 3.381 50 0 EGAARO CCOC(=O)c1cnc2ccc(Cl)cc2c1NCCC[NH+](C)C ZINC000001912392 517695869 /nfs/dbraw/zinc/69/58/69/517695869.db2.gz KMUSVINZSCTMHQ-UHFFFAOYSA-N 1 0 335.835 3.429 50 0 EGAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1cnc2c(c1)CCCC2 ZINC000670455897 548217776 /nfs/dbraw/zinc/21/77/76/548217776.db2.gz UWXQEBUBVGJKBU-MRXNPFEDSA-N 1 0 349.478 3.137 50 0 EGAARO COc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000010435309 1291113520 /nfs/dbraw/zinc/11/35/20/1291113520.db2.gz UKGQCOISFBCPQM-UHFFFAOYSA-N 1 0 340.467 3.458 50 0 EGAARO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(OC)CC3)c(C)o2)c1 ZINC000011874477 1291129371 /nfs/dbraw/zinc/12/93/71/1291129371.db2.gz KPFFKHOVPUNUJX-UHFFFAOYSA-N 1 0 346.427 3.278 50 0 EGAARO CC(C)c1ccc(C[N@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000012244895 1291130291 /nfs/dbraw/zinc/13/02/91/1291130291.db2.gz AHVXKNLRCRUPMX-UHFFFAOYSA-N 1 0 337.467 3.440 50 0 EGAARO CCCC[N@H+](C)[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 ZINC000014749383 1291143544 /nfs/dbraw/zinc/14/35/44/1291143544.db2.gz WGQIUGNOKJEGIZ-INIZCTEOSA-N 1 0 346.519 3.118 50 0 EGAARO OCC1CC[NH+]([C@H]2CCCN(Cc3c(F)cccc3Cl)C2)CC1 ZINC000019642502 1291193786 /nfs/dbraw/zinc/19/37/86/1291193786.db2.gz SHNNVAYDTVYYGK-HNNXBMFYSA-N 1 0 340.870 3.148 50 0 EGAARO CC[NH+]1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000023282941 1291233848 /nfs/dbraw/zinc/23/38/48/1291233848.db2.gz YPRXYXQTKCSIHX-UHFFFAOYSA-N 1 0 341.421 3.312 50 0 EGAARO O=C(COCc1ccccc1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013126 1292418023 /nfs/dbraw/zinc/41/80/23/1292418023.db2.gz SXDOCFVFVJGUML-KRWDZBQOSA-N 1 0 344.480 3.046 50 0 EGAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC(c2ccncc2)CC1 ZINC000828166544 1292438171 /nfs/dbraw/zinc/43/81/71/1292438171.db2.gz ZZVJTRBFDQJGJO-UHFFFAOYSA-N 1 0 339.439 3.290 50 0 EGAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1scc2c1OCCO2 ZINC000828231577 1292444586 /nfs/dbraw/zinc/44/45/86/1292444586.db2.gz RDIZUYZAJPPZCR-UHFFFAOYSA-N 1 0 344.436 3.367 50 0 EGAARO C[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256571 1298099017 /nfs/dbraw/zinc/09/90/17/1298099017.db2.gz KAEBKFIOXHOQHY-DZGCQCFKSA-N 1 0 348.443 3.045 50 0 EGAARO CC(C)Cn1cncc1C[NH2+]C1CCN(c2ccccc2F)CC1 ZINC000821502254 1320018266 /nfs/dbraw/zinc/01/82/66/1320018266.db2.gz YIHDLZZYHVLSCK-UHFFFAOYSA-N 1 0 330.451 3.437 50 0 EGAARO CC(C)Cn1cncc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000821502249 1320018536 /nfs/dbraw/zinc/01/85/36/1320018536.db2.gz XUKGZSHWXTVIIP-UHFFFAOYSA-N 1 0 326.488 3.293 50 0 EGAARO COc1ccccc1OCc1n[nH]c(-c2cccc(C[NH+](C)C)c2)n1 ZINC000824827629 1320289569 /nfs/dbraw/zinc/28/95/69/1320289569.db2.gz UANRCHXQKOEMMS-UHFFFAOYSA-N 1 0 338.411 3.121 50 0 EGAARO Cc1cc(C)n(CCC[NH2+]C2CCN(c3ccc(C)cc3)CC2)n1 ZINC000825175748 1320317057 /nfs/dbraw/zinc/31/70/57/1320317057.db2.gz MKGYTLSPSQANEF-UHFFFAOYSA-N 1 0 326.488 3.457 50 0 EGAARO Cc1ccc(-c2cccc(CN3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c2)o1 ZINC000825197841 1320317532 /nfs/dbraw/zinc/31/75/32/1320317532.db2.gz QKPPFXGQURCTCL-PMACEKPBSA-N 1 0 340.467 3.286 50 0 EGAARO Cc1cc(C)n(C[C@@H](C)[NH2+]C2CCN(c3cccc(C)c3)CC2)n1 ZINC000825218715 1320319478 /nfs/dbraw/zinc/31/94/78/1320319478.db2.gz OUGNIRDVBZGOIC-QGZVFWFLSA-N 1 0 326.488 3.455 50 0 EGAARO Cc1c[nH+]ccc1NCCNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000825533982 1320345084 /nfs/dbraw/zinc/34/50/84/1320345084.db2.gz YERUBZUOEMEVEM-UHFFFAOYSA-N 1 0 343.858 3.115 50 0 EGAARO Nc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000827573321 1320460527 /nfs/dbraw/zinc/46/05/27/1320460527.db2.gz BXIMCHJKJOBRMU-SFHVURJKSA-N 1 0 338.455 3.011 50 0 EGAARO Cc1nccn1Cc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000952873222 1334584572 /nfs/dbraw/zinc/58/45/72/1334584572.db2.gz IZYJZJFVACCLOL-UHFFFAOYSA-N 1 0 326.444 3.054 50 0 EGAARO CCCn1c(C)nc2cc(NC(=O)C[N@@H+]3CCC[C@H](C)C3)ccc21 ZINC000952964145 1334625573 /nfs/dbraw/zinc/62/55/73/1334625573.db2.gz BOWNYHXBCWJEON-AWEZNQCLSA-N 1 0 328.460 3.425 50 0 EGAARO O=C(NCCc1ccccc1)NCC1([NH+]2CCCCC2)CCCC1 ZINC000952965978 1334626583 /nfs/dbraw/zinc/62/65/83/1334626583.db2.gz DRUJOHDCQVGNSV-UHFFFAOYSA-N 1 0 329.488 3.327 50 0 EGAARO Cc1ccc(N2CCC([N@@H+]3CCc4n[nH]cc4C3)CC2)cc1Cl ZINC000952977419 1334628294 /nfs/dbraw/zinc/62/82/94/1334628294.db2.gz CIHKMFITEHPOND-UHFFFAOYSA-N 1 0 330.863 3.399 50 0 EGAARO O=C(NCCSc1ccccc1)c1ccc(C[NH+]2CCCC2)o1 ZINC000952979907 1334629005 /nfs/dbraw/zinc/62/90/05/1334629005.db2.gz PIBHKDIXODLLCG-UHFFFAOYSA-N 1 0 330.453 3.398 50 0 EGAARO COc1ccc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000952985269 1334630830 /nfs/dbraw/zinc/63/08/30/1334630830.db2.gz UOKKFMWWYKSVCL-UHFFFAOYSA-N 1 0 325.412 3.328 50 0 EGAARO Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1NC(=O)C(C)C ZINC000952990753 1334631874 /nfs/dbraw/zinc/63/18/74/1334631874.db2.gz WRQGOOIOOHUJJU-KRWDZBQOSA-N 1 0 325.412 3.228 50 0 EGAARO Cc1nc(CN(CCO)C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c[nH]1 ZINC001704314170 1416439697 /nfs/dbraw/zinc/43/96/97/1416439697.db2.gz QYEDWUNXNMZHKQ-QGZVFWFLSA-N 1 0 349.862 3.132 50 0 EGAARO Cc1ccc2c(C)cc(N3CCOC4(CC[NH2+]CC4)C3)nc2c1C ZINC001704316067 1416440156 /nfs/dbraw/zinc/44/01/56/1416440156.db2.gz URBQDZHBFPELTL-UHFFFAOYSA-N 1 0 325.456 3.119 50 0 EGAARO Nc1ncc2c(n1)[C@]1(CC2)CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC001704325333 1416444667 /nfs/dbraw/zinc/44/46/67/1416444667.db2.gz LVQUOMTZPYXYBB-FQEVSTJZSA-N 1 0 333.439 3.020 50 0 EGAARO C[N@@H+]1CCC[C@]2(CO)CCN(Cc3cccc(Cl)c3Cl)C[C@@H]12 ZINC001704340644 1416448752 /nfs/dbraw/zinc/44/87/52/1416448752.db2.gz KXCIDQKEAQSZGM-NVXWUHKLSA-N 1 0 343.298 3.272 50 0 EGAARO CC[C@@]1(O)CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC001704342413 1416449439 /nfs/dbraw/zinc/44/94/39/1416449439.db2.gz BUCXTKFTKLYLIS-YZGWKJHDSA-N 1 0 325.456 3.245 50 0 EGAARO CC(C)[N@@H+]1CCN(Cc2ccc3c4c2cccc4C(=O)OC3)C[C@@H]1C ZINC001704356957 1416454620 /nfs/dbraw/zinc/45/46/20/1416454620.db2.gz AOICJFBDOQMFGZ-HNNXBMFYSA-N 1 0 338.451 3.425 50 0 EGAARO C[C@@H](c1ccc(-c2nccn2-c2ccc3c(c2)nnn3C)cc1)[NH+](C)C ZINC001772808732 1441417510 /nfs/dbraw/zinc/41/75/10/1441417510.db2.gz ZUHWUAKQFDOHEA-AWEZNQCLSA-N 1 0 346.438 3.444 50 0 EGAARO Cn1ccc(C2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)cc1=O ZINC001772818028 1441417666 /nfs/dbraw/zinc/41/76/66/1441417666.db2.gz LSUBXFOGQSWKSR-UHFFFAOYSA-N 1 0 348.393 3.366 50 0 EGAARO CCc1nc2cc(NC(=O)NCCC34CCC[NH+]3CCC4)ccc2[nH]1 ZINC000097655592 219044967 /nfs/dbraw/zinc/04/49/67/219044967.db2.gz TVHAZNWXVZCGOS-UHFFFAOYSA-N 1 0 341.459 3.265 50 0 EGAARO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1cccnc1Oc1ccc(F)cc1 ZINC000097742603 219052625 /nfs/dbraw/zinc/05/26/25/219052625.db2.gz KHXVKRFOZFJXDS-AWEZNQCLSA-N 1 0 344.390 3.358 50 0 EGAARO Cc1ccc2c(c1)c(CNC[C@@H]1CCC[N@@H+]3CCCC[C@H]13)nn2C ZINC000055107799 214273426 /nfs/dbraw/zinc/27/34/26/214273426.db2.gz WWJXIRFUHOIOGT-QFBILLFUSA-N 1 0 326.488 3.236 50 0 EGAARO CC(=O)Oc1c(C)cc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1C ZINC000055119173 214276767 /nfs/dbraw/zinc/27/67/67/214276767.db2.gz RHCZRWQRVHXXST-GOSISDBHSA-N 1 0 327.428 3.090 50 0 EGAARO CC(C)CN(C/C=C/c1ccccc1)C(=O)[C@@H]([NH3+])Cc1cscn1 ZINC000055309439 214305122 /nfs/dbraw/zinc/30/51/22/214305122.db2.gz MQGFABSWDMVQPS-YOCVDRLZSA-N 1 0 343.496 3.211 50 0 EGAARO Cc1cc(=O)oc2cc(C[N@@H+](Cc3cnn(C)c3)CC(C)C)ccc12 ZINC000055568808 214330437 /nfs/dbraw/zinc/33/04/37/214330437.db2.gz JHBUGMHVMALELF-UHFFFAOYSA-N 1 0 339.439 3.493 50 0 EGAARO C[C@H](c1cccc(-c2cc(N3CCCC3)nc(N)n2)c1)[NH+]1CCCC1 ZINC000097823357 219058974 /nfs/dbraw/zinc/05/89/74/219058974.db2.gz PJQISVCHUSLDRT-OAHLLOKOSA-N 1 0 337.471 3.483 50 0 EGAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)c2cccnc12 ZINC000097819653 219059080 /nfs/dbraw/zinc/05/90/80/219059080.db2.gz PQNWNQNPYOKNNZ-UHFFFAOYSA-N 1 0 337.467 3.378 50 0 EGAARO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3cccs3)cc2)CC1 ZINC000098086233 219081390 /nfs/dbraw/zinc/08/13/90/219081390.db2.gz ODMNPSJBJYZQMK-UHFFFAOYSA-N 1 0 330.453 3.402 50 0 EGAARO COc1ccc(CC2(C[NH3+])CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000098213848 219088539 /nfs/dbraw/zinc/08/85/39/219088539.db2.gz RVOBCIDVHPSSIQ-UHFFFAOYSA-N 1 0 334.460 3.214 50 0 EGAARO CC1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000100195823 219094005 /nfs/dbraw/zinc/09/40/05/219094005.db2.gz CFLFEHOWXPFODO-FKLYKBMHSA-N 1 0 338.451 3.219 50 0 EGAARO c1ccc(COc2ccc(C[NH2+]CCCN3CCOCC3)cc2)cc1 ZINC000004345406 210176128 /nfs/dbraw/zinc/17/61/28/210176128.db2.gz WHLSBAKUOAJCDG-UHFFFAOYSA-N 1 0 340.467 3.078 50 0 EGAARO [NH3+]CCCCCNc1nccc(-c2cnn(-c3ccc(F)cc3)c2)n1 ZINC000048071932 213886933 /nfs/dbraw/zinc/88/69/33/213886933.db2.gz TWWWNDYSZZPBJC-UHFFFAOYSA-N 1 0 340.406 3.009 50 0 EGAARO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000065529099 214947608 /nfs/dbraw/zinc/94/76/08/214947608.db2.gz BENFBOFHWNPZEJ-MOPGFXCFSA-N 1 0 336.435 3.119 50 0 EGAARO CC(C)CC[C@H](CC(=O)NCC[NH+](C)C)[C@@H]1CCOC(C)(C)C1 ZINC000004084480 210115900 /nfs/dbraw/zinc/11/59/00/210115900.db2.gz LHZAEUFCMPVBIP-IAGOWNOFSA-N 1 0 326.525 3.312 50 0 biogenic EGAARO COc1ccc(CC[NH2+]CC(=O)c2c[nH]c3ccccc32)cc1OC ZINC000004013859 210099717 /nfs/dbraw/zinc/09/97/17/210099717.db2.gz BOIVJHOMWGNXCF-UHFFFAOYSA-N 1 0 338.407 3.200 50 0 EGAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000003354558 210016425 /nfs/dbraw/zinc/01/64/25/210016425.db2.gz CPFQUQPPMDHFQO-NFAWXSAZSA-N 1 0 342.277 3.167 50 0 EGAARO NC(=O)c1cccc2c1cccc2-c1cc(F)cc2c1O[C@H](C[NH3+])C2 ZINC000067690327 215185368 /nfs/dbraw/zinc/18/53/68/215185368.db2.gz UQDDLOSWYWGBSH-ZDUSSCGKSA-N 1 0 336.366 3.007 50 0 EGAARO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067725494 215196693 /nfs/dbraw/zinc/19/66/93/215196693.db2.gz KDJNEJMUZXHMOI-OAHLLOKOSA-N 1 0 346.434 3.007 50 0 EGAARO CCc1nc2ccccc2n1CCC(=O)Nc1cnc2n1CCCC2 ZINC000067757182 215205135 /nfs/dbraw/zinc/20/51/35/215205135.db2.gz VNUNGGPQBAVRFO-UHFFFAOYSA-N 1 0 337.427 3.160 50 0 EGAARO COc1ccc(-c2nc(CN3CC[C@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067789309 215213292 /nfs/dbraw/zinc/21/32/92/215213292.db2.gz UKFJCXAIEDHKOX-OAHLLOKOSA-N 1 0 329.444 3.056 50 0 EGAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000067834342 215224331 /nfs/dbraw/zinc/22/43/31/215224331.db2.gz PHFMCKHSXURPFO-AWEZNQCLSA-N 1 0 346.862 3.078 50 0 EGAARO CCC[C@H]([NH3+])C(=O)N1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 ZINC000067881320 215238813 /nfs/dbraw/zinc/23/88/13/215238813.db2.gz NVFAOEQCKCDRET-SFHVURJKSA-N 1 0 340.471 3.219 50 0 EGAARO CNC(=O)CC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000067920336 215250521 /nfs/dbraw/zinc/25/05/21/215250521.db2.gz SOWKCYKQNQQQFW-UHFFFAOYSA-N 1 0 346.862 3.078 50 0 EGAARO CC(C)CN(C)C(=O)c1cc(C[N@H+](C)CCc2ccccc2)on1 ZINC000067934267 215252633 /nfs/dbraw/zinc/25/26/33/215252633.db2.gz IABDLGXIKAVFIU-UHFFFAOYSA-N 1 0 329.444 3.077 50 0 EGAARO CCNc1ncc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cn1 ZINC000067935055 215253306 /nfs/dbraw/zinc/25/33/06/215253306.db2.gz KLZSQJINRYHDGP-HNNXBMFYSA-N 1 0 337.427 3.429 50 0 EGAARO O[C@@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067947877 215257216 /nfs/dbraw/zinc/25/72/16/215257216.db2.gz ZMMVGGQEULSNFN-DOTOQJQBSA-N 1 0 345.826 3.419 50 0 EGAARO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N(C)C)CCCCC2)cc1 ZINC000038344818 213207241 /nfs/dbraw/zinc/20/72/41/213207241.db2.gz UULXEKQLEPUSBO-MRXNPFEDSA-N 1 0 347.503 3.266 50 0 EGAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CCC[N@H+](C)C2)c1C ZINC000071748476 215804818 /nfs/dbraw/zinc/80/48/18/215804818.db2.gz ADOUWFMUSRFYNU-OAHLLOKOSA-N 1 0 327.472 3.305 50 0 EGAARO [NH3+]CCCCCC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071762798 215817267 /nfs/dbraw/zinc/81/72/67/215817267.db2.gz TZWQWLXJUWTXBW-HNNXBMFYSA-N 1 0 345.270 3.412 50 0 EGAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2cccc(C)c2C)n1 ZINC000072119203 216012053 /nfs/dbraw/zinc/01/20/53/216012053.db2.gz GLBUGPACJTXFSE-UHFFFAOYSA-N 1 0 342.447 3.067 50 0 EGAARO C[NH+](C)Cc1csc(CN2CCN(Cc3cccc(F)c3)CC2)c1 ZINC000072121757 216014570 /nfs/dbraw/zinc/01/45/70/216014570.db2.gz IWOCLAZHFSSKAJ-UHFFFAOYSA-N 1 0 347.503 3.267 50 0 EGAARO CCn1cc(CN2CCC[N@H+](CCCc3ccccc3)CC2)cn1 ZINC000072144090 216031079 /nfs/dbraw/zinc/03/10/79/216031079.db2.gz ISJXEVKVOHZJPY-UHFFFAOYSA-N 1 0 326.488 3.044 50 0 EGAARO O=C(c1ccc(F)cc1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072165125 216053994 /nfs/dbraw/zinc/05/39/94/216053994.db2.gz YOXZUJKOHWZFBC-FQEVSTJZSA-N 1 0 338.426 3.141 50 0 EGAARO Cc1ncc2c(c1CNC(=O)c1cccc3ccccc31)CC[NH2+]C2 ZINC000072436141 216230472 /nfs/dbraw/zinc/23/04/72/216230472.db2.gz JXABBDVQSZYXQS-UHFFFAOYSA-N 1 0 331.419 3.119 50 0 EGAARO c1cnc2ccc(C[C@@H]3CC[C@H](C[N@@H+]4CCCOCC4)O3)cc2c1 ZINC000072436615 216232904 /nfs/dbraw/zinc/23/29/04/216232904.db2.gz LRBKLEZGJSIYGH-RBUKOAKNSA-N 1 0 326.440 3.047 50 0 EGAARO C[C@H](C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1)n1ccnc1 ZINC000072462939 216244785 /nfs/dbraw/zinc/24/47/85/216244785.db2.gz URSDDPQLTPNXLF-QGZVFWFLSA-N 1 0 332.492 3.091 50 0 EGAARO Cn1ccc2ccc(C[NH+]3CCN(CCOc4ccccc4)CC3)cc21 ZINC000072453603 216240587 /nfs/dbraw/zinc/24/05/87/216240587.db2.gz URRQTXHNQMGQGM-UHFFFAOYSA-N 1 0 349.478 3.375 50 0 EGAARO Cc1cc2nc(C)cc(NCC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2n1 ZINC000072476956 216254503 /nfs/dbraw/zinc/25/45/03/216254503.db2.gz VXYXKLLBUDBPGC-DLBZAZTESA-N 1 0 327.476 3.413 50 0 EGAARO Cn1c(C[NH+]2CCC(Cn3ccnc3)CC2)cc2cc(F)ccc21 ZINC000215752161 241143278 /nfs/dbraw/zinc/14/32/78/241143278.db2.gz XECYTKZAKKDXPB-UHFFFAOYSA-N 1 0 326.419 3.426 50 0 EGAARO O=C1NC[C@@]2(CCC[N@H+](Cc3cnc(-c4ccccc4)s3)CC2)O1 ZINC000215850507 241150116 /nfs/dbraw/zinc/15/01/16/241150116.db2.gz MPDJEHVSCUGCAD-SFHVURJKSA-N 1 0 343.452 3.275 50 0 EGAARO O=C(c1ccccc1)[C@H](C[NH2+][C@@H]1CN2CCC1CC2)c1ccccc1 ZINC000022042265 212273380 /nfs/dbraw/zinc/27/33/80/212273380.db2.gz DDLAHAHXSPIZQL-NHCUHLMSSA-N 1 0 334.463 3.337 50 0 EGAARO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCCCCC2)c1)[C@H]1C[C@H](O)C1 ZINC000244678757 243056680 /nfs/dbraw/zinc/05/66/80/243056680.db2.gz IJLCMHWYSGVSAL-VAMGGRTRSA-N 1 0 344.499 3.342 50 0 EGAARO O=C(Cc1cn(C[NH+]2CCCC2)c2ccccc12)N1CCCCC1 ZINC000020624433 212156794 /nfs/dbraw/zinc/15/67/94/212156794.db2.gz VORZZSMBJPDIME-UHFFFAOYSA-N 1 0 325.456 3.250 50 0 EGAARO Cc1ccc(CN2CC[N@H+](CCCC3CCCC3)C[C@@H]2CCO)o1 ZINC000020449288 212129745 /nfs/dbraw/zinc/12/97/45/212129745.db2.gz AHEOHSPJOYHPTF-IBGZPJMESA-N 1 0 334.504 3.427 50 0 EGAARO c1c(-c2ccccn2)nnn1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000020119256 212102938 /nfs/dbraw/zinc/10/29/38/212102938.db2.gz DKBSKNAKVNWVAU-UHFFFAOYSA-N 1 0 345.450 3.144 50 0 EGAARO CC(C)c1cccc(C(C)C)c1OCCOCCN1CC[NH2+]CC1 ZINC000019944981 212089685 /nfs/dbraw/zinc/08/96/85/212089685.db2.gz MCQWULUUZLSDQY-UHFFFAOYSA-N 1 0 334.504 3.234 50 0 EGAARO COc1c(C)cnc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1C ZINC000019894261 212080868 /nfs/dbraw/zinc/08/08/68/212080868.db2.gz BXTFJQQJXZHDMC-UHFFFAOYSA-N 1 0 349.475 3.196 50 0 EGAARO CCCCc1nc2cc(C(=O)NC[C@@]3(C)CC[N@H+](C)C3)ccc2o1 ZINC000019838960 212073816 /nfs/dbraw/zinc/07/38/16/212073816.db2.gz WFQGFQGLJKBZPW-LJQANCHMSA-N 1 0 329.444 3.242 50 0 EGAARO COc1cccc(CN2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c1OC ZINC000019832031 212073002 /nfs/dbraw/zinc/07/30/02/212073002.db2.gz GGVGEFVMFZWFFU-AEFFLSMTSA-N 1 0 332.488 3.400 50 0 EGAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000019795004 212069371 /nfs/dbraw/zinc/06/93/71/212069371.db2.gz OXKWGNVKKKORPQ-OAHLLOKOSA-N 1 0 332.513 3.397 50 0 EGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3cccc(Cl)c3)C2=O)cc1 ZINC000019794404 212068914 /nfs/dbraw/zinc/06/89/14/212068914.db2.gz UZWNYNKEKZALTN-QGZVFWFLSA-N 1 0 342.826 3.113 50 0 EGAARO COc1cccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)c1OC ZINC000019210286 212004179 /nfs/dbraw/zinc/00/41/79/212004179.db2.gz VLQMBGDLVQFUEB-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 EGAARO O=C([C@@H]1CCC[NH2+]CC1)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000019144351 212002283 /nfs/dbraw/zinc/00/22/83/212002283.db2.gz QKGCPZDHOIOCRD-CQSZACIVSA-N 1 0 336.863 3.100 50 0 EGAARO O=C(c1ccccc1)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000004196867 296260432 /nfs/dbraw/zinc/26/04/32/296260432.db2.gz QAGYZDAQFJOVLF-IBGZPJMESA-N 1 0 339.435 3.143 50 0 EGAARO S=C(Nc1ccccc1)N1CCC[N@H+](CCc2ccncc2)CC1 ZINC000012325062 211347422 /nfs/dbraw/zinc/34/74/22/211347422.db2.gz NPNJUQBWSFKPEP-UHFFFAOYSA-N 1 0 340.496 3.029 50 0 EGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2ncsc2c1 ZINC000012297071 211335686 /nfs/dbraw/zinc/33/56/86/211335686.db2.gz SPOVTMHUVALQDJ-GOEBONIOSA-N 1 0 329.469 3.291 50 0 biogenic EGAARO Cc1c[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)n1 ZINC000012300785 211337032 /nfs/dbraw/zinc/33/70/32/211337032.db2.gz RZJHNUADCAVEQP-FQEVSTJZSA-N 1 0 344.503 3.113 50 0 EGAARO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](CC(C)C)C3)nn1 ZINC000012209379 211322151 /nfs/dbraw/zinc/32/21/51/211322151.db2.gz MFXDLNNEFOKCOX-UHFFFAOYSA-N 1 0 343.427 3.011 50 0 EGAARO C[C@H](CC[N@H+]1CCC(=O)N(Cc2ccccn2)CC1)c1ccccc1 ZINC000012079211 211287715 /nfs/dbraw/zinc/28/77/15/211287715.db2.gz GATYQQBRTAZIJD-GOSISDBHSA-N 1 0 337.467 3.310 50 0 EGAARO CC(C)=CC[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000012030022 211280919 /nfs/dbraw/zinc/28/09/19/211280919.db2.gz WPVZOTHWWDLSGK-AWEZNQCLSA-N 1 0 326.362 3.362 50 0 EGAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000091390993 218000282 /nfs/dbraw/zinc/00/02/82/218000282.db2.gz BLDFRJGEPZDAGC-OAHLLOKOSA-N 1 0 339.483 3.494 50 0 EGAARO C[C@@H](CN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000011881200 211265374 /nfs/dbraw/zinc/26/53/74/211265374.db2.gz MJPOPKQFHXFYQG-FXAWDEMLSA-N 1 0 337.467 3.356 50 0 EGAARO c1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n(-c2ncccn2)c1 ZINC000011820729 211251894 /nfs/dbraw/zinc/25/18/94/211251894.db2.gz RIUXEURSCNFYEC-GOSISDBHSA-N 1 0 333.439 3.344 50 0 EGAARO OC[C@H]1CN(Cc2ccc(F)c(Cl)c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091535444 218019099 /nfs/dbraw/zinc/01/90/99/218019099.db2.gz QGEOXNCHYSNTRU-HZPDHXFCSA-N 1 0 340.870 3.005 50 0 EGAARO O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091695554 218049910 /nfs/dbraw/zinc/04/99/10/218049910.db2.gz DCENXKJMPDQJCN-UKRRQHHQSA-N 1 0 336.838 3.426 50 0 EGAARO C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@@]1(O)C1CCOCC1 ZINC000091662961 218041937 /nfs/dbraw/zinc/04/19/37/218041937.db2.gz SDWDMKURNKREAB-WBMJQRKESA-N 1 0 329.893 3.401 50 0 EGAARO CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)[NH3+])C2)cc1 ZINC000091677326 218046051 /nfs/dbraw/zinc/04/60/51/218046051.db2.gz AQCXAOJKEVLCLE-OAHLLOKOSA-N 1 0 330.472 3.143 50 0 EGAARO COc1ccc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(C(C)=O)C4)ccc2c1 ZINC000091817952 218070425 /nfs/dbraw/zinc/07/04/25/218070425.db2.gz RQEBSWRVJLXURK-FXAWDEMLSA-N 1 0 338.451 3.291 50 0 EGAARO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)[nH]n1 ZINC000091943843 218092249 /nfs/dbraw/zinc/09/22/49/218092249.db2.gz WWSOKTNCHJVRTB-KRWDZBQOSA-N 1 0 327.472 3.264 50 0 EGAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091985597 218098134 /nfs/dbraw/zinc/09/81/34/218098134.db2.gz BMWQSDYCCBCQLH-IBGZPJMESA-N 1 0 327.428 3.292 50 0 EGAARO COCC[C@]1(O)CC[N@H+](Cc2cc(C(C)C)ccc2OC)C[C@H]1C ZINC000091986298 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Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)on1 ZINC000097655578 301133186 /nfs/dbraw/zinc/13/31/86/301133186.db2.gz ARTPFYSSTZUBDU-KRWDZBQOSA-N 1 0 327.428 3.330 50 0 EGAARO Cc1ccc(CC2(O)CC[NH+](CCOc3ccc(O)cc3)CC2)cc1 ZINC000000007382 452492407 /nfs/dbraw/zinc/49/24/07/452492407.db2.gz VKMFDKYCIKEDMR-UHFFFAOYSA-N 1 0 341.451 3.149 50 0 in-vitro EGAARO CCOC(=O)c1c(C)n(C)c2cc(OCC[NH+](CC)CC)ccc21 ZINC000001063820 452644210 /nfs/dbraw/zinc/64/42/10/452644210.db2.gz XBYOLOQRZCKNAD-UHFFFAOYSA-N 1 0 332.444 3.384 50 0 EGAARO CC1=C[C@@](O)(C(F)(F)F)N(c2nc(-c3ccccn3)cs2)[NH2+]1 ZINC000001415174 452662303 /nfs/dbraw/zinc/66/23/03/452662303.db2.gz ADUHDGVCSXJXAG-GFCCVEGCSA-N 1 0 328.319 3.042 50 0 EGAARO [NH3+]CCCCCc1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000002203499 452690715 /nfs/dbraw/zinc/69/07/15/452690715.db2.gz YOWUKJSNMZSGNH-UHFFFAOYSA-N 1 0 339.848 3.370 50 0 EGAARO CC[NH+](CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1 ZINC000002205864 452690914 /nfs/dbraw/zinc/69/09/14/452690914.db2.gz 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Cc1c[nH+]ccc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000082092738 453923333 /nfs/dbraw/zinc/92/33/33/453923333.db2.gz WJYHHAGNHBSNIS-RBUKOAKNSA-N 1 0 335.451 3.232 50 0 EGAARO CCCCOC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082120213 453925513 /nfs/dbraw/zinc/92/55/13/453925513.db2.gz UHMUYRTWUBMJAI-UHFFFAOYSA-N 1 0 348.491 3.448 50 0 EGAARO COc1ccccc1N1CCC([NH2+][C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000067851214 453972764 /nfs/dbraw/zinc/97/27/64/453972764.db2.gz UWFLCDGPOFUMAQ-AWEZNQCLSA-N 1 0 342.487 3.365 50 0 EGAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](CC2CCC2)CC3)c1 ZINC000077300105 454087762 /nfs/dbraw/zinc/08/77/62/454087762.db2.gz XKWGUTANHHYUNP-UHFFFAOYSA-N 1 0 342.483 3.310 50 0 EGAARO CCc1cc(N2CCC[C@@H](c3ncc[nH]3)C2)nc(N2CCCCC2)[nH+]1 ZINC000077320918 454091395 /nfs/dbraw/zinc/09/13/95/454091395.db2.gz CIBWBFQGJNFNTK-OAHLLOKOSA-N 1 0 340.475 3.136 50 0 EGAARO Cc1nc2ccccc2nc1C[NH+]1CCC(CCn2cccn2)CC1 ZINC000077341489 454093908 /nfs/dbraw/zinc/09/39/08/454093908.db2.gz 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454212598 /nfs/dbraw/zinc/21/25/98/454212598.db2.gz TWEGASCIFCVTGQ-ZDUSSCGKSA-N 1 0 334.391 3.266 50 0 EGAARO Cc1cc(N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)nc(N)[nH+]1 ZINC000071749039 454212805 /nfs/dbraw/zinc/21/28/05/454212805.db2.gz KHHSSETZXGGMEL-ZDUSSCGKSA-N 1 0 344.846 3.428 50 0 EGAARO Cc1ccccc1N1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000095519916 454226704 /nfs/dbraw/zinc/22/67/04/454226704.db2.gz AVTUMUBJYYIXBU-SFHVURJKSA-N 1 0 343.515 3.058 50 0 EGAARO COCCCC[NH+]1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000096149606 454292573 /nfs/dbraw/zinc/29/25/73/454292573.db2.gz MYMIONNGNNIKSJ-UHFFFAOYSA-N 1 0 343.830 3.055 50 0 EGAARO CC(C)c1ccc(S(=O)(=O)[C@H](C[NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000061997375 454365395 /nfs/dbraw/zinc/36/53/95/454365395.db2.gz QJGSMZSQYUGKTF-LJQANCHMSA-N 1 0 346.496 3.350 50 0 EGAARO CN(CC[C@H](O)c1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097532660 454440108 /nfs/dbraw/zinc/44/01/08/454440108.db2.gz NCSKUKPHRJOHOE-SFHVURJKSA-N 1 0 342.439 3.071 50 0 EGAARO Cc1ccc(OC[C@@H]2CCC[N@H+](Cc3cnc4nccn4c3)C2)cc1 ZINC000063846905 454454027 /nfs/dbraw/zinc/45/40/27/454454027.db2.gz WCNNZJASQBPYIH-QGZVFWFLSA-N 1 0 336.439 3.329 50 0 EGAARO Cc1ccoc1C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000063855793 454455567 /nfs/dbraw/zinc/45/55/67/454455567.db2.gz ZJDGFUHFGZDLKI-UHFFFAOYSA-N 1 0 326.440 3.367 50 0 EGAARO CCCc1nc(C(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000092081667 454519398 /nfs/dbraw/zinc/51/93/98/454519398.db2.gz GBAREUWYHLTBIJ-AWEZNQCLSA-N 1 0 343.496 3.272 50 0 EGAARO CC[C@@H](c1ccccn1)n1cc(-c2cc(C[NH+](C)C)cs2)nn1 ZINC000092081847 454519441 /nfs/dbraw/zinc/51/94/41/454519441.db2.gz QPPCEJNANPXKQC-INIZCTEOSA-N 1 0 327.457 3.463 50 0 EGAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1[C@@H]1COc2ccccc2O1 ZINC000065373825 454554867 /nfs/dbraw/zinc/55/48/67/454554867.db2.gz YXQPDIMSAGUDAX-KRWDZBQOSA-N 1 0 334.379 3.361 50 0 EGAARO CCn1cc(SCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC000065461002 454570561 /nfs/dbraw/zinc/57/05/61/454570561.db2.gz 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/nfs/dbraw/zinc/85/10/36/457851036.db2.gz OVJXSNAQTZCPJY-QGZVFWFLSA-N 1 0 344.842 3.115 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000426740437 457890119 /nfs/dbraw/zinc/89/01/19/457890119.db2.gz JEIPYRSPZPWCOC-IBGZPJMESA-N 1 0 344.503 3.410 50 0 EGAARO CCC[C@H](CNC(=O)N(C)Cc1cccc2cnccc21)[NH+](C)C ZINC000534588372 459336034 /nfs/dbraw/zinc/33/60/34/459336034.db2.gz LYKQLVYAENEKLS-QGZVFWFLSA-N 1 0 328.460 3.107 50 0 EGAARO CCOc1ccc(Cl)cc1CN(C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000534666956 459344667 /nfs/dbraw/zinc/34/46/67/459344667.db2.gz RWZWGFSIBQNQTB-CYBMUJFWSA-N 1 0 341.883 3.078 50 0 EGAARO C[NH+](C)[C@H]1CCCN(C(=O)NCCCSCc2ccccc2)CC1 ZINC000584893075 459819425 /nfs/dbraw/zinc/81/94/25/459819425.db2.gz TXCAPPWPAPHYNO-SFHVURJKSA-N 1 0 349.544 3.436 50 0 EGAARO O=C(NCc1ccc(CO)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000648970376 462350314 /nfs/dbraw/zinc/35/03/14/462350314.db2.gz GBHCMMKXIDRPSI-UHFFFAOYSA-N 1 0 338.451 3.095 50 0 EGAARO Cc1c(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cccc1-n1cccc1 ZINC000299774561 525841310 /nfs/dbraw/zinc/84/13/10/525841310.db2.gz HESCSLXKOSOXNJ-MRXNPFEDSA-N 1 0 326.444 3.344 50 0 EGAARO C[C@H](O)c1cccc(N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000095508900 525858956 /nfs/dbraw/zinc/85/89/56/525858956.db2.gz PEOOWHNEHHTOAK-SFHVURJKSA-N 1 0 339.483 3.280 50 0 EGAARO CC[NH2+]Cc1cc(C[C@H]2CC(=O)N(c3ccccc3)C2)ccc1OC ZINC000244787924 535478287 /nfs/dbraw/zinc/47/82/87/535478287.db2.gz QGIXQCCFEFTPAP-KRWDZBQOSA-N 1 0 338.451 3.400 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000244794604 535600384 /nfs/dbraw/zinc/60/03/84/535600384.db2.gz QQAIDMLTNOQLIU-INIZCTEOSA-N 1 0 340.427 3.480 50 0 EGAARO C[C@@H]([NH3+])[C@H]1COc2c(Br)cc(Br)cc2C1 ZINC000675064354 564112413 /nfs/dbraw/zinc/11/24/13/564112413.db2.gz YKEIQQYLTYIBNG-HTRCEHHLSA-N 1 0 335.039 3.110 50 0 EGAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3ccc(C(C)C)cc3)C2)C1=O ZINC000012302058 1291132137 /nfs/dbraw/zinc/13/21/37/1291132137.db2.gz VCQLLEXTCDDULZ-NRFANRHFSA-N 1 0 344.499 3.271 50 0 EGAARO CC(C)c1ccc(CN2CCC[C@@](O)(C[NH+]3CCCCC3)C2=O)cc1 ZINC000012589894 1291133425 /nfs/dbraw/zinc/13/34/25/1291133425.db2.gz ICTWZBAWWQDUQQ-OAQYLSRUSA-N 1 0 344.499 3.149 50 0 EGAARO CC[C@H](c1n[nH]c2c1CN(C1CC[NH+](C)CC1)CC2)c1ccccc1 ZINC000020683179 1291194838 /nfs/dbraw/zinc/19/48/38/1291194838.db2.gz PEGKVJJWKFXHEQ-SFHVURJKSA-N 1 0 338.499 3.404 50 0 EGAARO Cc1ccc2[nH]c(CNC(=O)c3ccc([C@H]4CCC[NH2+]4)s3)nc2c1 ZINC000023543371 1291237441 /nfs/dbraw/zinc/23/74/41/1291237441.db2.gz VJPLBDWTAWOBQT-CYBMUJFWSA-N 1 0 340.452 3.287 50 0 EGAARO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@]3(C2)c2ccccc2NC3=O)[nH]n1 ZINC000072140086 1292276116 /nfs/dbraw/zinc/27/61/16/1292276116.db2.gz LQZLHWZNWNSLSA-HXUWFJFHSA-N 1 0 338.455 3.193 50 0 EGAARO Cc1ccc(C)c(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccoc3)C2)c1 ZINC000827848264 1292386963 /nfs/dbraw/zinc/38/69/63/1292386963.db2.gz ABHWLLOQQOLTNB-GOSISDBHSA-N 1 0 340.467 3.467 50 0 EGAARO CC[NH+](CC)C[C@@H]1C[C@H](O)C(C)(C)C[C@H]1OC(=O)c1ccccc1 ZINC000247814622 1296402065 /nfs/dbraw/zinc/40/20/65/1296402065.db2.gz CBUCVGWOZZQBHS-KSZLIROESA-N 1 0 333.472 3.351 50 0 EGAARO O=C(c1ccsc1)N1CCC2(CC1)C[C@H]([NH+]1CCCCC1)CCO2 ZINC000581784088 1298005936 /nfs/dbraw/zinc/00/59/36/1298005936.db2.gz CEMIXNQRACRGIC-QGZVFWFLSA-N 1 0 348.512 3.388 50 0 EGAARO O=C(CCc1ccccc1F)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256996 1298099954 /nfs/dbraw/zinc/09/99/54/1298099954.db2.gz OGAWOMWCBFOHBX-MRXNPFEDSA-N 1 0 332.444 3.211 50 0 EGAARO COc1ccc2c(c1)C[C@H]([NH2+]CCCNc1ccc(C)cn1)CC2 ZINC000824751173 1320283491 /nfs/dbraw/zinc/28/34/91/1320283491.db2.gz YOKMJLAVSILFMB-GOSISDBHSA-N 1 0 325.456 3.348 50 0 EGAARO CCOc1ccccc1-c1nn2c(nnc2C2CC[NH+](C)CC2)s1 ZINC000823399328 1320175480 /nfs/dbraw/zinc/17/54/80/1320175480.db2.gz JQXPJJXNZMRSSG-UHFFFAOYSA-N 1 0 343.456 3.061 50 0 EGAARO Cc1ccc(-c2nn3c(nnc3C3CC[NH+](C)CC3)s2)cc1C ZINC000823765986 1320204212 /nfs/dbraw/zinc/20/42/12/1320204212.db2.gz NLDLDWNKFWNBIJ-UHFFFAOYSA-N 1 0 327.457 3.279 50 0 EGAARO COCC[N@@H+]1CCC[C@H](c2nc(C)nn2Cc2ccc(Cl)cc2)C1 ZINC000824413146 1320255166 /nfs/dbraw/zinc/25/51/66/1320255166.db2.gz KCWHMUZVYNHNTI-INIZCTEOSA-N 1 0 348.878 3.114 50 0 EGAARO CC[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000952872846 1334584714 /nfs/dbraw/zinc/58/47/14/1334584714.db2.gz QGXDKFQLJCYGIP-OAHLLOKOSA-N 1 0 345.487 3.274 50 0 EGAARO CCCc1cc(C[NH2+]C2CCN(C(=O)c3cccs3)CC2)on1 ZINC000952979745 1334629180 /nfs/dbraw/zinc/62/91/80/1334629180.db2.gz OKJCRAPOVVACAQ-UHFFFAOYSA-N 1 0 333.457 3.083 50 0 EGAARO C[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1cnc(-c2ccco2)nc1 ZINC000952981110 1334630143 /nfs/dbraw/zinc/63/01/43/1334630143.db2.gz CBIWJALSNRIXOC-MRXNPFEDSA-N 1 0 348.450 3.273 50 0 EGAARO [NH3+][C@H]1CC[C@@H](NC(=O)C[C@H](Cc2ccccc2)c2ccco2)CC1 ZINC000952991873 1334631978 /nfs/dbraw/zinc/63/19/78/1334631978.db2.gz UHZJMWGNSXYFRA-OKZBNKHCSA-N 1 0 326.440 3.382 50 0 EGAARO COCC[N@@H+]1CC[C@@H](CN(C)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001704312590 1416438999 /nfs/dbraw/zinc/43/89/99/1416438999.db2.gz GEHWZHHUNDLANR-AWEZNQCLSA-N 1 0 349.475 3.354 50 0 EGAARO C[N@@H+]1CCC[C@]2(CO)CCN(Cc3[nH]c4ccccc4c3Cl)C[C@@H]12 ZINC001704345294 1416450404 /nfs/dbraw/zinc/45/04/04/1416450404.db2.gz WQNSQCZASOFOOE-IEBWSBKVSA-N 1 0 347.890 3.100 50 0 EGAARO CN(C(=O)c1cn(C)c2ccccc12)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001704353046 1416453667 /nfs/dbraw/zinc/45/36/67/1416453667.db2.gz ORIJDHWNCYRSTM-WNKDZCFJSA-N 1 0 339.483 3.369 50 0 EGAARO CC[NH+](CC)Cc1cc(C(=O)N2CCOC3(CCCC3)C2)c(C)o1 ZINC001704353898 1416453678 /nfs/dbraw/zinc/45/36/78/1416453678.db2.gz VWGIDDLLPDNFFI-UHFFFAOYSA-N 1 0 334.460 3.215 50 0 EGAARO Cc1cnc(NCC[C@H]2CCCC[N@@H+]2C2CCCC2)nc1N(C)C ZINC001704353371 1416453751 /nfs/dbraw/zinc/45/37/51/1416453751.db2.gz UWYWWUFBIUTGQP-QGZVFWFLSA-N 1 0 331.508 3.450 50 0 EGAARO CC1=C(c2ccccc2)[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001704357122 1416454931 /nfs/dbraw/zinc/45/49/31/1416454931.db2.gz 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ZINC000055107745 214273518 /nfs/dbraw/zinc/27/35/18/214273518.db2.gz NJDUYWHDDLSVLE-KRWDZBQOSA-N 1 0 331.460 3.029 50 0 EGAARO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc2c(c1)OCCO2)C(C)C ZINC000055154439 214280172 /nfs/dbraw/zinc/28/01/72/214280172.db2.gz RNHAABCMFWXGLN-UHFFFAOYSA-N 1 0 329.444 3.219 50 0 EGAARO Cc1ccsc1CC[NH2+][C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000004689948 210249536 /nfs/dbraw/zinc/24/95/36/210249536.db2.gz HCNISADSMFSXGF-AWEZNQCLSA-N 1 0 348.855 3.174 50 0 EGAARO CC[C@@H](C)[N@H+](Cc1ccsc1)Cc1ccccc1OCC(N)=O ZINC000055371413 214314179 /nfs/dbraw/zinc/31/41/79/214314179.db2.gz GJTRELFZWYNCRV-CQSZACIVSA-N 1 0 332.469 3.413 50 0 EGAARO COc1cccc(CN[C@H](C)c2ncccc2C)c1OCC[NH+](C)C ZINC000055414464 214322631 /nfs/dbraw/zinc/32/26/31/214322631.db2.gz PTWSJBSUKDVANP-MRXNPFEDSA-N 1 0 343.471 3.190 50 0 EGAARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000004679549 210245440 /nfs/dbraw/zinc/24/54/40/210245440.db2.gz RFHWGQIGNMXTPA-UHFFFAOYSA-N 1 0 328.481 3.319 50 0 EGAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(Cl)c1OCC(N)=O ZINC000004657449 210240049 /nfs/dbraw/zinc/24/00/49/210240049.db2.gz KBWZTLRIHXSXHJ-LBPRGKRZSA-N 1 0 348.830 3.064 50 0 EGAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1 ZINC000004657562 210240166 /nfs/dbraw/zinc/24/01/66/210240166.db2.gz QLXNVKDQMWQVCP-UHFFFAOYSA-N 1 0 344.430 3.409 50 0 EGAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1cccs1 ZINC000004488592 210201845 /nfs/dbraw/zinc/20/18/45/210201845.db2.gz PXQOUHZNTBKIFP-NSHDSACASA-N 1 0 341.860 3.460 50 0 EGAARO CCOC(=O)C1CC[NH+](Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 ZINC000004340518 210176166 /nfs/dbraw/zinc/17/61/66/210176166.db2.gz AMCCPSXDDYYRDE-UHFFFAOYSA-N 1 0 343.423 3.185 50 0 biogenic EGAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000004279085 210160103 /nfs/dbraw/zinc/16/01/03/210160103.db2.gz BEXFKBNLQVOIOG-UXLLHSPISA-N 1 0 341.879 3.074 50 0 EGAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cccc(Br)c2)N1 ZINC000004149140 210133107 /nfs/dbraw/zinc/13/31/07/210133107.db2.gz 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ZINC000067935087 215253338 /nfs/dbraw/zinc/25/33/38/215253338.db2.gz GUNCJZSDYUBCRN-HNNXBMFYSA-N 1 0 328.412 3.017 50 0 EGAARO Cc1cc(N2CCC(c3n[nH]cc3-c3ccccc3)CC2)nc(N)[nH+]1 ZINC000067955726 215259631 /nfs/dbraw/zinc/25/96/31/215259631.db2.gz UPBXWVXNRGEXOG-UHFFFAOYSA-N 1 0 334.427 3.141 50 0 EGAARO COc1ccccc1-c1cccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000067975321 215265083 /nfs/dbraw/zinc/26/50/83/215265083.db2.gz FFZYDWPIVXOHLG-MRXNPFEDSA-N 1 0 338.451 3.434 50 0 EGAARO C[NH+](C)CCN1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071388642 215767412 /nfs/dbraw/zinc/76/74/12/215767412.db2.gz CNOJGMHIPHLYCD-OAQYLSRUSA-N 1 0 338.495 3.471 50 0 EGAARO Cc1ccccc1-n1nnnc1C1([NH+](C)C)C2CC3CC(C2)CC1C3 ZINC000035170781 213011798 /nfs/dbraw/zinc/01/17/98/213011798.db2.gz CATOUASTIBXFQS-UHFFFAOYSA-N 1 0 337.471 3.184 50 0 EGAARO CCNc1nc(NCCNC(=O)Nc2cc(C)cc(C)c2)cc(C)[nH+]1 ZINC000072117871 216012120 /nfs/dbraw/zinc/01/21/20/216012120.db2.gz KXFXSHZSKXLODU-UHFFFAOYSA-N 1 0 342.447 3.067 50 0 EGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccco3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072133652 216022581 /nfs/dbraw/zinc/02/25/81/216022581.db2.gz CAOLCQZIZPERHJ-DFQSSKMNSA-N 1 0 336.435 3.290 50 0 EGAARO CCCCC(=O)N1C[C@H](c2cccc(OC)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072143663 216028873 /nfs/dbraw/zinc/02/88/73/216028873.db2.gz RIDTWPTXZHVANI-HMXCVIKNSA-N 1 0 342.483 3.274 50 0 EGAARO Cc1[nH+]c(CN2CCC(OCc3cccnc3)CC2)c2ccccn12 ZINC000072151954 216040364 /nfs/dbraw/zinc/04/03/64/216040364.db2.gz RWKKVAJPBVQILL-UHFFFAOYSA-N 1 0 336.439 3.219 50 0 EGAARO OC[C@@]1(O)CCC[N@H+](Cc2ccc(SC3CCCCC3)o2)CC1 ZINC000072156445 216045783 /nfs/dbraw/zinc/04/57/83/216045783.db2.gz ZWZGKHHCWGRWIH-GOSISDBHSA-N 1 0 339.501 3.414 50 0 EGAARO COc1ccc(-c2n[nH]cc2CN2CC([N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000072164110 216052854 /nfs/dbraw/zinc/05/28/54/216052854.db2.gz FKQVMLCDCCWCJZ-OAHLLOKOSA-N 1 0 340.471 3.144 50 0 EGAARO O=C1NC[C@]2(CCC[N@H+](Cc3nc(-c4ccccc4)cs3)CC2)O1 ZINC000072165870 216055244 /nfs/dbraw/zinc/05/52/44/216055244.db2.gz ZLZUKWQAFFPRNN-GOSISDBHSA-N 1 0 343.452 3.275 50 0 EGAARO Cc1nccn1CCC[N@@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072166638 216055805 /nfs/dbraw/zinc/05/58/05/216055805.db2.gz SCQHVHJRYBSAJV-HXUWFJFHSA-N 1 0 339.483 3.496 50 0 EGAARO Cc1ccc([C@@H]2CN(C(=O)c3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072170526 216061675 /nfs/dbraw/zinc/06/16/75/216061675.db2.gz SCHJVKKQVBTBOV-PWRODBHTSA-N 1 0 347.462 3.092 50 0 EGAARO COc1ccc(OCc2sc([C@]3(O)CCC[NH2+]CC3)nc2C)cc1 ZINC000072343633 216159674 /nfs/dbraw/zinc/15/96/74/216159674.db2.gz WEMCWZSHFOESDJ-SFHVURJKSA-N 1 0 348.468 3.000 50 0 EGAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cccc(O)c2)CC1 ZINC000072421107 216209475 /nfs/dbraw/zinc/20/94/75/216209475.db2.gz PYHHYMXRPYTIOD-UHFFFAOYSA-N 1 0 338.451 3.171 50 0 EGAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](Nc3nccc(N)n3)C2)cc1 ZINC000072423021 216212288 /nfs/dbraw/zinc/21/22/88/216212288.db2.gz YQYWGFGKCQCADS-SFHVURJKSA-N 1 0 339.487 3.334 50 0 EGAARO Cc1ncsc1C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000072436563 216232373 /nfs/dbraw/zinc/23/23/73/216232373.db2.gz AJJGZUIVIAJCJK-UHFFFAOYSA-N 1 0 341.480 3.114 50 0 EGAARO CCCOc1ccc(CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1Cl ZINC000072447590 216237875 /nfs/dbraw/zinc/23/78/75/216237875.db2.gz KONJPKPKQXCPJX-GOSISDBHSA-N 1 0 340.895 3.017 50 0 EGAARO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072473647 216250579 /nfs/dbraw/zinc/25/05/79/216250579.db2.gz DKKNWAPLWCXQJF-SFHVURJKSA-N 1 0 345.535 3.171 50 0 EGAARO C[N@@H+]1CCCC[C@H]1CNc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072474139 216251880 /nfs/dbraw/zinc/25/18/80/216251880.db2.gz IBAVEXHCESZZAL-INIZCTEOSA-N 1 0 339.418 3.432 50 0 EGAARO CN(C)C(=O)c1ccc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)nc1 ZINC000072475482 216253340 /nfs/dbraw/zinc/25/33/40/216253340.db2.gz FMOAMNGSEDWELT-SFHVURJKSA-N 1 0 344.503 3.240 50 0 EGAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000023282004 212366822 /nfs/dbraw/zinc/36/68/22/212366822.db2.gz BWYUKIDRIHUSNP-MZEUMTGBSA-N 1 0 330.472 3.289 50 0 EGAARO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCSc2ccc(Cl)cc2)C1 ZINC000215903990 241153698 /nfs/dbraw/zinc/15/36/98/241153698.db2.gz SEGHKASOXFVFQA-OCCSQVGLSA-N 1 0 326.893 3.456 50 0 EGAARO C[NH+](C)C[C@@]1(O)CCN(Cc2ccc(SC3CCCCC3)o2)C1 ZINC000216246171 241178967 /nfs/dbraw/zinc/17/89/67/241178967.db2.gz DVYNXEHBTIQPPZ-SFHVURJKSA-N 1 0 338.517 3.203 50 0 EGAARO O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000216394229 241188806 /nfs/dbraw/zinc/18/88/06/241188806.db2.gz GVFRXEMWLPDKSM-INIZCTEOSA-N 1 0 340.389 3.335 50 0 EGAARO OCC[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1 ZINC000020996298 212196228 /nfs/dbraw/zinc/19/62/28/212196228.db2.gz XUDAGEMSDOEWDK-GOSISDBHSA-N 1 0 346.421 3.034 50 0 EGAARO CCn1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000244735117 243074146 /nfs/dbraw/zinc/07/41/46/243074146.db2.gz NTDGHGXVQXGORO-INIZCTEOSA-N 1 0 337.427 3.333 50 0 EGAARO c1ccc(-c2n[nH]c3c2C[N@H+](C2CSCCSC2)CC3)cc1 ZINC000020542703 212145937 /nfs/dbraw/zinc/14/59/37/212145937.db2.gz SFELALSLBSUTFB-UHFFFAOYSA-N 1 0 331.510 3.283 50 0 EGAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102746 212100876 /nfs/dbraw/zinc/10/08/76/212100876.db2.gz XASDZNDHZPVIQM-UHFFFAOYSA-N 1 0 343.858 3.263 50 0 EGAARO C[C@@H]1C[NH+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000019868141 212077247 /nfs/dbraw/zinc/07/72/47/212077247.db2.gz LOOLKABXCMMKJI-ZIAGYGMSSA-N 1 0 336.863 3.054 50 0 EGAARO COc1ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)cc1OC ZINC000019842248 212075816 /nfs/dbraw/zinc/07/58/16/212075816.db2.gz PSZJSPYOCDRXCB-UHFFFAOYSA-N 1 0 332.488 3.400 50 0 EGAARO COc1cc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cc(OC)c1O ZINC000019789313 212066857 /nfs/dbraw/zinc/06/68/57/212066857.db2.gz NNQCYMFRGHHYQH-RDJZCZTQSA-N 1 0 348.487 3.106 50 0 EGAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCc3ccncc3)c12 ZINC000012324186 211346967 /nfs/dbraw/zinc/34/69/67/211346967.db2.gz TYOFUHARUWWTPR-UHFFFAOYSA-N 1 0 338.459 3.007 50 0 EGAARO O=C(Cn1ccc2ccc(F)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012296402 211335361 /nfs/dbraw/zinc/33/53/61/211335361.db2.gz AWJAWEHNGOOJNY-FUHWJXTLSA-N 1 0 343.446 3.161 50 0 biogenic EGAARO CC(C)/C=C/C[N@@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012305668 211338392 /nfs/dbraw/zinc/33/83/92/211338392.db2.gz FAVQLQYDJFEVGB-ONEGZZNKSA-N 1 0 325.412 3.376 50 0 EGAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000012225733 211325145 /nfs/dbraw/zinc/32/51/45/211325145.db2.gz FXOQZPXDMJNVQS-MRXNPFEDSA-N 1 0 348.874 3.246 50 0 EGAARO Cc1ccc(C)c2c(=O)cc(C[NH2+][C@H](C)Cc3cncs3)[nH]c12 ZINC000091594709 218028018 /nfs/dbraw/zinc/02/80/18/218028018.db2.gz FWUQHFLQIRCJJI-CYBMUJFWSA-N 1 0 327.453 3.322 50 0 EGAARO OC[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1C[NH+]1CCCCC1 ZINC000091595650 218029325 /nfs/dbraw/zinc/02/93/25/218029325.db2.gz QDEKYDGMDHMMNT-HZPDHXFCSA-N 1 0 340.870 3.005 50 0 EGAARO C[NH+](C)[C@H]1CCN(Cc2ccc(Cl)c(F)c2)C[C@H]1CCCO ZINC000091678997 218046777 /nfs/dbraw/zinc/04/67/77/218046777.db2.gz GLDNMHNKJXFFRI-PBHICJAKSA-N 1 0 328.859 3.004 50 0 EGAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cccc4nonc43)C2)cc1 ZINC000011661689 211229758 /nfs/dbraw/zinc/22/97/58/211229758.db2.gz XYZLMMBZBWWGAG-INIZCTEOSA-N 1 0 326.375 3.438 50 0 EGAARO O=C(CCC1CCCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091876720 218082151 /nfs/dbraw/zinc/08/21/51/218082151.db2.gz ZVORPVJXOHFQAF-VQTJNVASSA-N 1 0 341.499 3.475 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)N1CCC[C@]3(CC[NH2+]C3)C1)c(C)ccc2C ZINC000091907674 218086963 /nfs/dbraw/zinc/08/69/63/218086963.db2.gz NRGGSLZGBCMNGZ-OAQYLSRUSA-N 1 0 339.483 3.238 50 0 EGAARO COCC[C@]1(CO)CCC[N@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000091998135 218102136 /nfs/dbraw/zinc/10/21/36/218102136.db2.gz ZTTZWGBFIKKILO-LJQANCHMSA-N 1 0 336.476 3.333 50 0 EGAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000092062140 218112267 /nfs/dbraw/zinc/11/22/67/218112267.db2.gz SMLDFOQZTHYSQB-LJQANCHMSA-N 1 0 339.435 3.015 50 0 EGAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](CCc1ccccc1)CC2 ZINC000095355175 218289688 /nfs/dbraw/zinc/28/96/88/218289688.db2.gz WTKPEXJSLMDWMA-FQEVSTJZSA-N 1 0 334.463 3.367 50 0 EGAARO Cc1cc(C)nc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000095365907 218297713 /nfs/dbraw/zinc/29/77/13/218297713.db2.gz NEJMNKXWYZWNHN-UHFFFAOYSA-N 1 0 338.455 3.009 50 0 EGAARO COc1ccc([C@@H]2CN(C(=O)c3cc(C)oc3C)C[C@H]2[NH+](C)C)cc1 ZINC000095369131 218301209 /nfs/dbraw/zinc/30/12/09/218301209.db2.gz NEKGVUVLCKTNFE-RBUKOAKNSA-N 1 0 342.439 3.075 50 0 EGAARO O=C(NCc1nc2ccccc2[nH]1)C1CC[NH+](C2CCCCC2)CC1 ZINC000095379562 218312148 /nfs/dbraw/zinc/31/21/48/218312148.db2.gz XYTKQSOFLJLQFF-UHFFFAOYSA-N 1 0 340.471 3.224 50 0 EGAARO CC(C)[NH+]1CCC(CC(=O)NCCCn2ncc3ccccc32)CC1 ZINC000095381382 218313420 /nfs/dbraw/zinc/31/34/20/218313420.db2.gz XWCOXXDOVJDVFS-UHFFFAOYSA-N 1 0 342.487 3.053 50 0 EGAARO Cc1ccc2[nH]c3c(ncn(CC[NH+](C(C)C)C(C)C)c3=O)c2c1 ZINC000004863056 210304407 /nfs/dbraw/zinc/30/44/07/210304407.db2.gz YBLPOPUJJIGVHK-UHFFFAOYSA-N 1 0 326.444 3.305 50 0 EGAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCC3=CCCCC3)C2=O)cc1 ZINC000004778718 210277130 /nfs/dbraw/zinc/27/71/30/210277130.db2.gz ZVQKARZSMYIVHK-SFHVURJKSA-N 1 0 342.439 3.197 50 0 EGAARO O=C(NCc1cccc(Cl)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172511054 257955437 /nfs/dbraw/zinc/95/54/37/257955437.db2.gz GJJLIXYEQPARPM-UHFFFAOYSA-N 1 0 335.879 3.500 50 0 EGAARO O=C(NCCC1(O)CCCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299769264 258083222 /nfs/dbraw/zinc/08/32/22/258083222.db2.gz LFXBOQVCICGOJA-OTWHNJEPSA-N 1 0 342.483 3.023 50 0 EGAARO O=C(NCC[NH+]1CCCC1)Nc1cccc(NC(=O)C2CCCC2)c1 ZINC000299780516 258089441 /nfs/dbraw/zinc/08/94/41/258089441.db2.gz CRIFQTPHISRIPE-UHFFFAOYSA-N 1 0 344.459 3.033 50 0 EGAARO O=C1NCCCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(F)c2)c1 ZINC000299783194 258091458 /nfs/dbraw/zinc/09/14/58/258091458.db2.gz UOKFLGSXDPFHFQ-IBGZPJMESA-N 1 0 342.414 3.163 50 0 EGAARO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299790129 258096082 /nfs/dbraw/zinc/09/60/82/258096082.db2.gz BBZOIAPHCHBHEI-INIZCTEOSA-N 1 0 337.851 3.105 50 0 EGAARO CC1=CC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@@H]2C1 ZINC000299791830 258097546 /nfs/dbraw/zinc/09/75/46/258097546.db2.gz DGKNGCUVFOHFEM-KGLIPLIRSA-N 1 0 329.831 3.136 50 0 EGAARO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCn3cccn3)CC2)c1 ZINC000299793555 258098862 /nfs/dbraw/zinc/09/88/62/258098862.db2.gz IABLQYQTRRLLPN-QGZVFWFLSA-N 1 0 340.471 3.321 50 0 EGAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000004552733 258051041 /nfs/dbraw/zinc/05/10/41/258051041.db2.gz UOTKOPPITKNZEF-UHFFFAOYSA-N 1 0 348.487 3.174 50 0 EGAARO COC(=O)c1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000055291896 132194330 /nfs/dbraw/zinc/19/43/30/132194330.db2.gz SVKNPLLOOOKDKE-UHFFFAOYSA-N 1 0 338.451 3.412 50 0 EGAARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000012660537 286188660 /nfs/dbraw/zinc/18/86/60/286188660.db2.gz VUJZEAKYGMRHEZ-JKSUJKDBSA-N 1 0 341.407 3.077 50 0 biogenic EGAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2)N3)C1 ZINC000004555603 276236856 /nfs/dbraw/zinc/23/68/56/276236856.db2.gz UHXUMBCPKWNLHJ-HNNXBMFYSA-N 1 0 329.425 3.261 50 0 EGAARO Cc1cc(C)c2c(ncnc2N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000095354073 280410663 /nfs/dbraw/zinc/41/06/63/280410663.db2.gz KZFKFQVCYFJOCP-UHFFFAOYSA-N 1 0 325.460 3.096 50 0 EGAARO CN(C)[C@@H](C(=O)NC(C)(C)C[NH+]1CCCCCC1)c1ccccc1F ZINC000092045950 289272351 /nfs/dbraw/zinc/27/23/51/289272351.db2.gz LIXBUTOVJQVEPQ-GOSISDBHSA-N 1 0 349.494 3.199 50 0 EGAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCO2 ZINC000000146717 452521855 /nfs/dbraw/zinc/52/18/55/452521855.db2.gz FZLDBHNRUKRSBM-UHFFFAOYSA-N 1 0 336.435 3.016 50 0 EGAARO c1coc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000000207675 452537366 /nfs/dbraw/zinc/53/73/66/452537366.db2.gz ZNGMBRXEPMMKLH-UHFFFAOYSA-N 1 0 325.456 3.066 50 0 EGAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCCCC2)C(=O)CCC1 ZINC000000572136 452626094 /nfs/dbraw/zinc/62/60/94/452626094.db2.gz UNJIHQZEAXZTTC-INIZCTEOSA-N 1 0 340.467 3.316 50 0 EGAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000000819270 452637079 /nfs/dbraw/zinc/63/70/79/452637079.db2.gz AZFMNNIWCNAVTG-UHFFFAOYSA-N 1 0 338.451 3.229 50 0 EGAARO COc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000002734936 452718425 /nfs/dbraw/zinc/71/84/25/452718425.db2.gz KUVPFMWMGIYZSH-UHFFFAOYSA-N 1 0 331.412 3.053 50 0 EGAARO Ic1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000002880448 452731902 /nfs/dbraw/zinc/73/19/02/452731902.db2.gz PUTMAMYIBZIZPO-UHFFFAOYSA-N 1 0 331.197 3.156 50 0 EGAARO C[N@H+](CCOC(=O)COc1ccc(Cl)cc1)Cc1ccccc1 ZINC000002902232 452733622 /nfs/dbraw/zinc/73/36/22/452733622.db2.gz SLYNGFZSWUOYIS-UHFFFAOYSA-N 1 0 333.815 3.394 50 0 EGAARO CC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000013326173 453458266 /nfs/dbraw/zinc/45/82/66/453458266.db2.gz WQYIGOSMSFARCY-LLVKDONJSA-N 1 0 345.270 3.361 50 0 EGAARO Cc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC000013425419 453462082 /nfs/dbraw/zinc/46/20/82/453462082.db2.gz HIJSDTDPOQRQQG-HNNXBMFYSA-N 1 0 345.850 3.176 50 0 EGAARO CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000013893848 453491218 /nfs/dbraw/zinc/49/12/18/453491218.db2.gz BYIGBTSEDRHFEO-UYAOXDASSA-N 1 0 345.389 3.377 50 0 EGAARO O=C1C[C@H]([NH2+]Cc2cccc3cccnc32)CN1Cc1cccc(F)c1 ZINC000014976472 453549882 /nfs/dbraw/zinc/54/98/82/453549882.db2.gz VPKFKYRGRLVHBE-IBGZPJMESA-N 1 0 349.409 3.265 50 0 EGAARO CN(Cc1cccnc1)C(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000015067126 453553143 /nfs/dbraw/zinc/55/31/43/453553143.db2.gz KWBBCUGDOLWROV-UHFFFAOYSA-N 1 0 349.478 3.064 50 0 EGAARO Cc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071102 453554249 /nfs/dbraw/zinc/55/42/49/453554249.db2.gz ZRSYQHOEDIEXQJ-SFHVURJKSA-N 1 0 344.478 3.244 50 0 EGAARO CC[N@@H+]1CCC[C@H]1Cn1cnc2c([nH]c3cccc(Cl)c32)c1=O ZINC000020479282 453666419 /nfs/dbraw/zinc/66/64/19/453666419.db2.gz HSUZCJBKRXUKKI-NSHDSACASA-N 1 0 330.819 3.016 50 0 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COCC[N@H+](CCn1c(=O)oc2ccccc21)Cc1sccc1C ZINC000055099104 214271873 /nfs/dbraw/zinc/27/18/73/214271873.db2.gz GOGDXIQFDWPZFW-UHFFFAOYSA-N 1 0 346.452 3.113 50 0 EGAARO CCOc1ccc(CN(CC[NH+](C)C)Cc2ccsc2)cc1CO ZINC000055242899 214293507 /nfs/dbraw/zinc/29/35/07/214293507.db2.gz QYJNKFGYJXRIBI-UHFFFAOYSA-N 1 0 348.512 3.203 50 0 EGAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004488486 210201126 /nfs/dbraw/zinc/20/11/26/210201126.db2.gz MFDYVUQIVFRHBY-UHFFFAOYSA-N 1 0 349.847 3.005 50 0 EGAARO CC(C)c1noc(C2CC[NH+](CCC(=O)N3CCC[C@H](C)C3)CC2)n1 ZINC000065431666 214906982 /nfs/dbraw/zinc/90/69/82/214906982.db2.gz GVWDPQUSGZITRC-HNNXBMFYSA-N 1 0 348.491 3.021 50 0 EGAARO O[C@@H](C[NH2+]C1CCCCC1)Cn1c2ccccc2nc1C(F)(F)F ZINC000003654636 210071410 /nfs/dbraw/zinc/07/14/10/210071410.db2.gz RYDHAHRXDOXXDH-ZDUSSCGKSA-N 1 0 341.377 3.338 50 0 EGAARO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc3cnccc32)C1 ZINC000067446742 215147477 /nfs/dbraw/zinc/14/74/77/215147477.db2.gz FJVVASITUIBIBR-MRXNPFEDSA-N 1 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OCC1(C[NH+]2CCCC2)CCN(Cc2cc(F)cc(Cl)c2)CC1 ZINC000219092684 241364840 /nfs/dbraw/zinc/36/48/40/241364840.db2.gz SONXESDBKQVIBL-UHFFFAOYSA-N 1 0 340.870 3.149 50 0 EGAARO COc1ccccc1/C=C/CN1CC[N@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000020913998 212185645 /nfs/dbraw/zinc/18/56/45/212185645.db2.gz FHWLUPWASBPFNA-IEJURRBGSA-N 1 0 346.515 3.123 50 0 EGAARO OCC1(CO)CCC[N@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000243892986 243028960 /nfs/dbraw/zinc/02/89/60/243028960.db2.gz ANFCUZIHXOLCHC-UHFFFAOYSA-N 1 0 325.408 3.153 50 0 EGAARO Cc1ccn(CC[NH+]2CCC(c3nc4cc(F)ccc4[nH]3)CC2)n1 ZINC000244685631 243057624 /nfs/dbraw/zinc/05/76/24/243057624.db2.gz ITRFXOZWEAKGNM-UHFFFAOYSA-N 1 0 327.407 3.087 50 0 EGAARO CC[NH+](CC)[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000020778642 212171789 /nfs/dbraw/zinc/17/17/89/212171789.db2.gz WJLBJNQIWMPKHJ-HNNXBMFYSA-N 1 0 334.851 3.306 50 0 EGAARO OCC[C@@H]1CN(Cc2cc(F)ccc2F)CC[N@@H+]1C1CCCCC1 ZINC000020450997 212130199 /nfs/dbraw/zinc/13/01/99/212130199.db2.gz JBHCUQJQQPAWDB-GOSISDBHSA-N 1 0 338.442 3.166 50 0 EGAARO C[NH+](C)CC[C@H]1CN(Cc2ccccc2OC2CCCC2)CCO1 ZINC000020453543 212131324 /nfs/dbraw/zinc/13/13/24/212131324.db2.gz CGCBPVBVFRXMON-IBGZPJMESA-N 1 0 332.488 3.161 50 0 EGAARO CC[NH+]1CCN(CCOc2ccc(Cl)cc2Br)CC1 ZINC000020390185 212124196 /nfs/dbraw/zinc/12/41/96/212124196.db2.gz LUYSYFNONKLLFA-UHFFFAOYSA-N 1 0 347.684 3.119 50 0 EGAARO Cc1cc(NC(=O)C[NH2+]Cc2ccccc2)ccc1Br ZINC000019893879 212079958 /nfs/dbraw/zinc/07/99/58/212079958.db2.gz NZQAWYQXKFYQEO-UHFFFAOYSA-N 1 0 333.229 3.486 50 0 EGAARO Cc1nc2ccccc2n1CCC[NH+]1CCC(Cn2ccnc2)CC1 ZINC000019774060 212064145 /nfs/dbraw/zinc/06/41/45/212064145.db2.gz DKLVNQUPQUZWRN-UHFFFAOYSA-N 1 0 337.471 3.344 50 0 EGAARO CN(Cc1cccc(Cl)c1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000014956662 211777293 /nfs/dbraw/zinc/77/72/93/211777293.db2.gz HYKGQJFABPLJCQ-UHFFFAOYSA-N 1 0 342.870 3.398 50 0 EGAARO CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]C(C)(C)C)C2=O)cc1 ZINC000012433247 211380761 /nfs/dbraw/zinc/38/07/61/211380761.db2.gz GYBBSPMYRLMFGJ-FQEVSTJZSA-N 1 0 332.488 3.052 50 0 EGAARO CN(C(=O)/C=C/c1cccnc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012308160 211341696 /nfs/dbraw/zinc/34/16/96/211341696.db2.gz IYGQQGPQDRDOGC-RJRNSMGGSA-N 1 0 349.478 3.260 50 0 EGAARO CC(=O)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012076504 211288408 /nfs/dbraw/zinc/28/84/08/211288408.db2.gz LVVCXWRYKIFSKO-FQEVSTJZSA-N 1 0 346.446 3.009 50 0 EGAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)C1CC1 ZINC000012073218 211286120 /nfs/dbraw/zinc/28/61/20/211286120.db2.gz KCPHCYHSHDDPQX-KRWDZBQOSA-N 1 0 332.463 3.339 50 0 EGAARO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@]1(O)C1CCOCC1 ZINC000091382299 218000400 /nfs/dbraw/zinc/00/04/00/218000400.db2.gz PDDSROYPWKWROA-QRWLVFNGSA-N 1 0 329.440 3.432 50 0 EGAARO Cc1nc[nH]c1CN(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011936389 211272953 /nfs/dbraw/zinc/27/29/53/211272953.db2.gz JXSUOKXESLHCFY-GOSISDBHSA-N 1 0 344.478 3.244 50 0 EGAARO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000011933038 211270475 /nfs/dbraw/zinc/27/04/75/211270475.db2.gz ZTISOVRXLWGJEQ-LJQANCHMSA-N 1 0 336.426 3.435 50 0 EGAARO C[N@H+](C[C@H]1CCCN(CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878155 211262874 /nfs/dbraw/zinc/26/28/74/211262874.db2.gz QFDKPXKLRTYTIL-QGZVFWFLSA-N 1 0 334.479 3.191 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)N1C[C@H]3CC[C@@H]1C[N@H+](C)C3)c(C)ccc2C ZINC000091690806 218048009 /nfs/dbraw/zinc/04/80/09/218048009.db2.gz OVOITMHWJFGWBZ-DLBZAZTESA-N 1 0 339.483 3.188 50 0 EGAARO CCn1nc(C(C)C)cc1C(=O)N(C)[C@H](C[NH+](C)C)c1ccccc1 ZINC000091664482 218042979 /nfs/dbraw/zinc/04/29/79/218042979.db2.gz GPAUJHZYQLJOII-LJQANCHMSA-N 1 0 342.487 3.401 50 0 EGAARO CCn1nc(C(C)C)cc1C(=O)N(C)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000091664481 218043617 /nfs/dbraw/zinc/04/36/17/218043617.db2.gz GPAUJHZYQLJOII-IBGZPJMESA-N 1 0 342.487 3.401 50 0 EGAARO COc1ccc([C@H]2CN(C(=O)c3cc(Cl)ccc3F)C[C@@H]2[NH3+])cc1 ZINC000091678313 218045452 /nfs/dbraw/zinc/04/54/52/218045452.db2.gz LPTSSXFHEPPVSB-WBVHZDCISA-N 1 0 348.805 3.055 50 0 EGAARO Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)n1 ZINC000091725173 218054788 /nfs/dbraw/zinc/05/47/88/218054788.db2.gz FZARPWODKMDPNP-AZUAARDMSA-N 1 0 335.451 3.013 50 0 EGAARO Cc1c[nH+]ccc1N1CCC[C@H](c2nccn2Cc2ccncc2)C1 ZINC000091738128 218055632 /nfs/dbraw/zinc/05/56/32/218055632.db2.gz YNGQQPNZHZWPPA-SFHVURJKSA-N 1 0 333.439 3.414 50 0 EGAARO CCc1ccc(C[NH+]2CCC3(CC(=O)N(CC=C(C)C)C3)CC2)nc1 ZINC000091746562 218058308 /nfs/dbraw/zinc/05/83/08/218058308.db2.gz RBTYEJJLIOWSBN-UHFFFAOYSA-N 1 0 341.499 3.425 50 0 EGAARO COCC[C@@]1(CO)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092080931 218116998 /nfs/dbraw/zinc/11/69/98/218116998.db2.gz SMBHHXOYERPUSV-INIZCTEOSA-N 1 0 331.378 3.316 50 0 EGAARO CC(=O)Nc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010326135 211164589 /nfs/dbraw/zinc/16/45/89/211164589.db2.gz PHMKLVJJRBVLEW-UHFFFAOYSA-N 1 0 337.423 3.493 50 0 EGAARO CC(CO)(CO)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000009485749 211090505 /nfs/dbraw/zinc/09/05/05/211090505.db2.gz KEWAJFXKJCLQFC-UHFFFAOYSA-N 1 0 330.211 3.086 50 0 EGAARO CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)nc1 ZINC000095392809 218325057 /nfs/dbraw/zinc/32/50/57/218325057.db2.gz JQTZEWIVJUSHBC-PZJWPPBQSA-N 1 0 336.483 3.135 50 0 EGAARO c1ccc(COc2ccccc2OCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000004868980 210308575 /nfs/dbraw/zinc/30/85/75/210308575.db2.gz JUPLZRUOTADCQX-GOSISDBHSA-N 1 0 327.424 3.413 50 0 EGAARO C[C@]1(NC(=O)C[NH+]2CCCCC2)CCCC[C@H]1c1ccc(O)cc1 ZINC000004827859 210289076 /nfs/dbraw/zinc/28/90/76/210289076.db2.gz RKVVOOFGAYILCJ-ICSRJNTNSA-N 1 0 330.472 3.411 50 0 EGAARO CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]([NH3+])CC1 ZINC000097468268 219026145 /nfs/dbraw/zinc/02/61/45/219026145.db2.gz USAVYMOZBPHJNC-LBPRGKRZSA-N 1 0 345.365 3.449 50 0 EGAARO CC(=O)c1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000004749116 210269226 /nfs/dbraw/zinc/26/92/26/210269226.db2.gz SLDZJQGFNWAMPR-UHFFFAOYSA-N 1 0 329.444 3.371 50 0 EGAARO Cc1cccc(Cl)c1OCCNC(=O)CC[C@H](C)[NH+]1CCCC1 ZINC000426405120 257969416 /nfs/dbraw/zinc/96/94/16/257969416.db2.gz JUICTKFQTHAIJQ-HNNXBMFYSA-N 1 0 338.879 3.408 50 0 EGAARO O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C[C@@H]2CC=CCC2)C1 ZINC000299772461 258085083 /nfs/dbraw/zinc/08/50/83/258085083.db2.gz YOKQNWGLVQSURV-RLLQIKCJSA-N 1 0 346.515 3.082 50 0 EGAARO Cc1ccc2c(c1)C[C@H](C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1)N2 ZINC000299796711 258100875 /nfs/dbraw/zinc/10/08/75/258100875.db2.gz RUEXBMPLLFSHOE-QGZVFWFLSA-N 1 0 329.488 3.099 50 0 EGAARO Cc1cccc(-c2nc(CNC(=O)[C@]3(C)CC[N@@H+](C)C3)cs2)c1 ZINC000299799325 258103030 /nfs/dbraw/zinc/10/30/30/258103030.db2.gz QSYQBEQYBUBZHF-GOSISDBHSA-N 1 0 329.469 3.077 50 0 EGAARO Cn1cc(C[N@H+](CCO)Cc2cccs2)c(-c2ccccc2F)n1 ZINC000013593782 258056066 /nfs/dbraw/zinc/05/60/66/258056066.db2.gz IQSAFCOVUWEVTO-UHFFFAOYSA-N 1 0 345.443 3.282 50 0 EGAARO CCOc1ccc(-c2ccc(C[N@H+](C)[C@H](C)CC(=O)NC)o2)cc1 ZINC000215968787 258072001 /nfs/dbraw/zinc/07/20/01/258072001.db2.gz PFPGLJSBGZYNBP-CQSZACIVSA-N 1 0 330.428 3.302 50 0 EGAARO Cn1nc(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)c2ccccc21 ZINC000299762233 258078475 /nfs/dbraw/zinc/07/84/75/258078475.db2.gz MOMLMRUNMGATAO-UHFFFAOYSA-N 1 0 340.471 3.102 50 0 EGAARO C[C@@H](NC(=O)CC[NH+]1CCCCCCC1)c1nc2ccccc2[nH]1 ZINC000299768780 258082631 /nfs/dbraw/zinc/08/26/31/258082631.db2.gz MIZIALLXPGBSKP-OAHLLOKOSA-N 1 0 328.460 3.396 50 0 EGAARO COc1ccc([C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2[NH+](C)C)cc1 ZINC000091476894 274116944 /nfs/dbraw/zinc/11/69/44/274116944.db2.gz GETBPTKYFVTNHG-FXAWDEMLSA-N 1 0 348.450 3.172 50 0 EGAARO C[NH+]1CCC([C@]2(O)c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000021299166 277035143 /nfs/dbraw/zinc/03/51/43/277035143.db2.gz HSLLZISLOQPUNP-FQEVSTJZSA-N 1 0 342.870 3.411 50 0 in-vitro EGAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@H+]1CC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072432698 280262340 /nfs/dbraw/zinc/26/23/40/280262340.db2.gz AZWPNCNLBLWUNJ-QGZVFWFLSA-N 1 0 333.819 3.156 50 0 EGAARO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c1 ZINC000000239857 452544450 /nfs/dbraw/zinc/54/44/50/452544450.db2.gz YLTGSPQHHXLLCQ-RDJZCZTQSA-N 1 0 346.471 3.040 50 0 EGAARO FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CC[NH2+]CC2)n1 ZINC000002554508 452704048 /nfs/dbraw/zinc/70/40/48/452704048.db2.gz HIELPGTZCKKRCS-UHFFFAOYSA-N 1 0 342.752 3.225 50 0 EGAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000002875996 452731699 /nfs/dbraw/zinc/73/16/99/452731699.db2.gz OKMGOOGYJCOXLR-UHFFFAOYSA-N 1 0 343.858 3.273 50 0 EGAARO CCOC(=O)C1CC[NH+](CCCOc2ccccc2Cl)CC1 ZINC000006702754 452973380 /nfs/dbraw/zinc/97/33/80/452973380.db2.gz RZAZNRZZCSGRHM-UHFFFAOYSA-N 1 0 325.836 3.384 50 0 EGAARO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1 ZINC000008577773 453218427 /nfs/dbraw/zinc/21/84/27/453218427.db2.gz NAWRTAFSXVAZIX-UHFFFAOYSA-N 1 0 349.500 3.026 50 0 EGAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)c1ccoc1 ZINC000012586666 453379475 /nfs/dbraw/zinc/37/94/75/453379475.db2.gz XRXIJVGUZBNNGH-UHFFFAOYSA-N 1 0 344.430 3.445 50 0 EGAARO OCCOc1ccccc1C[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000014980472 453549703 /nfs/dbraw/zinc/54/97/03/453549703.db2.gz MSCYHVWPIXHPBB-LJQANCHMSA-N 1 0 344.430 3.273 50 0 EGAARO Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860021 453587151 /nfs/dbraw/zinc/58/71/51/453587151.db2.gz HDYUWGCDPVVBDK-SFHVURJKSA-N 1 0 342.439 3.310 50 0 EGAARO CCC[NH+]1CCC(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)CC1 ZINC000016580311 453612259 /nfs/dbraw/zinc/61/22/59/453612259.db2.gz LSTIXLCVCPRVTQ-LJQANCHMSA-N 1 0 332.488 3.451 50 0 EGAARO CC[N@@H+]1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000019334945 453656554 /nfs/dbraw/zinc/65/65/54/453656554.db2.gz QYBLDNOQHXMDSP-QGZVFWFLSA-N 1 0 341.421 3.312 50 0 EGAARO CC[NH+]1CCN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)CC1 ZINC000019335214 453656626 /nfs/dbraw/zinc/65/66/26/453656626.db2.gz MIWSWPQMBVDCRF-UHFFFAOYSA-N 1 0 349.438 3.249 50 0 EGAARO COc1cc(C[N@@H+]2CCC[C@@H](CO)C2)ccc1OCc1ccccc1 ZINC000023281947 453708483 /nfs/dbraw/zinc/70/84/83/453708483.db2.gz UXIQTIAKLOTOFO-LJQANCHMSA-N 1 0 341.451 3.479 50 0 EGAARO Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582153 453818863 /nfs/dbraw/zinc/81/88/63/453818863.db2.gz IINZPFXRQKNWPR-KRWDZBQOSA-N 1 0 344.480 3.389 50 0 EGAARO COc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027584152 453819189 /nfs/dbraw/zinc/81/91/89/453819189.db2.gz UZIXXBUXYDHRPT-OAHLLOKOSA-N 1 0 330.453 3.324 50 0 EGAARO Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)[NH+](C)C)cc1 ZINC000028290557 453822910 /nfs/dbraw/zinc/82/29/10/453822910.db2.gz OPGKPXWCGDGLMR-IBGZPJMESA-N 1 0 340.467 3.410 50 0 EGAARO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000082107722 453924681 /nfs/dbraw/zinc/92/46/81/453924681.db2.gz DKXNRBYDVNKOPQ-GOSISDBHSA-N 1 0 327.403 3.140 50 0 EGAARO CCNc1nc(NCCNC(=O)Nc2cccc(Cl)c2)cc(C)[nH+]1 ZINC000082230332 453927631 /nfs/dbraw/zinc/92/76/31/453927631.db2.gz PIWZNIXUAAKUBA-UHFFFAOYSA-N 1 0 348.838 3.104 50 0 EGAARO CCC[N@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067954739 453983864 /nfs/dbraw/zinc/98/38/64/453983864.db2.gz OUIHLOIMANCAAE-HXUWFJFHSA-N 1 0 332.488 3.005 50 0 EGAARO Ic1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042772982 454024968 /nfs/dbraw/zinc/02/49/68/454024968.db2.gz HXFFKURWPKAWEO-LBPRGKRZSA-N 1 0 331.197 3.202 50 0 EGAARO Ic1ccc(COCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773903 454025287 /nfs/dbraw/zinc/02/52/87/454025287.db2.gz KUNOTBANLNLXPJ-LBPRGKRZSA-N 1 0 345.224 3.198 50 0 EGAARO CC(C)C[C@H](O)C1CC[NH+](Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000077287899 454086591 /nfs/dbraw/zinc/08/65/91/454086591.db2.gz YATNZLUWJHKFFN-IBGZPJMESA-N 1 0 340.471 3.158 50 0 EGAARO c1cnn(CCC2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2)c1 ZINC000077394598 454101924 /nfs/dbraw/zinc/10/19/24/454101924.db2.gz JPMNNAUKPCPLBR-UHFFFAOYSA-N 1 0 349.482 3.430 50 0 EGAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3ccc(N(C)C)nc3)C2)c1 ZINC000077439591 454106463 /nfs/dbraw/zinc/10/64/63/454106463.db2.gz KIOKSQGQKLQFMJ-INIZCTEOSA-N 1 0 341.455 3.154 50 0 EGAARO COc1ccc2ccccc2c1C[N@H+]1C[C@@H](C(C)C)[C@H](NC(C)=O)C1 ZINC000077535944 454119060 /nfs/dbraw/zinc/11/90/60/454119060.db2.gz KURZYTHNFDBRLN-AZUAARDMSA-N 1 0 340.467 3.441 50 0 EGAARO COc1ccc(Br)cc1C[NH2+]CCOc1ccccn1 ZINC000057356047 454121270 /nfs/dbraw/zinc/12/12/70/454121270.db2.gz OBCKIXBJTFRWSY-UHFFFAOYSA-N 1 0 337.217 3.021 50 0 EGAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccco3)nc2)c1 ZINC000077565957 454124190 /nfs/dbraw/zinc/12/41/90/454124190.db2.gz LOYLGIATVMEAQM-KRWDZBQOSA-N 1 0 337.427 3.378 50 0 EGAARO O=C(CCc1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095377974 454198819 /nfs/dbraw/zinc/19/88/19/454198819.db2.gz RDXYEEOTZVZZQM-TZIWHRDSSA-N 1 0 349.478 3.137 50 0 EGAARO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@@](C)(O)C3)c(C)o2)c1 ZINC000071748914 454212769 /nfs/dbraw/zinc/21/27/69/454212769.db2.gz AWYUHGCWEZQLQT-GOSISDBHSA-N 1 0 334.391 3.145 50 0 EGAARO CCCc1oncc1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071759882 454215554 /nfs/dbraw/zinc/21/55/54/454215554.db2.gz BXMITBGNFHFWPN-KRWDZBQOSA-N 1 0 333.476 3.210 50 0 EGAARO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 ZINC000095482847 454220886 /nfs/dbraw/zinc/22/08/86/454220886.db2.gz QTKBRVVITIGIOE-LRDDRELGSA-N 1 0 328.799 3.323 50 0 EGAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)c1ccc2ccn(C)c2c1 ZINC000095523811 454227872 /nfs/dbraw/zinc/22/78/72/454227872.db2.gz PGDFGCJFRSYAGX-INIZCTEOSA-N 1 0 347.462 3.355 50 0 EGAARO Cc1ccn2cc(C[N@@H+]3CCCC[C@H]3CCN3CCCC3=O)nc2c1 ZINC000072164198 454273781 /nfs/dbraw/zinc/27/37/81/454273781.db2.gz YDHBMRFGGGTOBS-SFHVURJKSA-N 1 0 340.471 3.010 50 0 EGAARO CC(C)[NH+]1CCN(c2ccc(-c3cccc(F)c3C(N)=O)cc2)CC1 ZINC000096136457 454290749 /nfs/dbraw/zinc/29/07/49/454290749.db2.gz CXBDNZLEQHIFEJ-UHFFFAOYSA-N 1 0 341.430 3.122 50 0 EGAARO CC(C)(CN1CCc2[nH]c3ccc(Cl)cc3c2C1)[NH+]1CCOCC1 ZINC000072463116 454295593 /nfs/dbraw/zinc/29/55/93/454295593.db2.gz GPDVVJJAWCNURH-UHFFFAOYSA-N 1 0 347.890 3.290 50 0 EGAARO c1ccc([C@H]2CC[N@@H+](CCNc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000096180489 454298561 /nfs/dbraw/zinc/29/85/61/454298561.db2.gz FXTBYJYYOILRQR-IBGZPJMESA-N 1 0 345.450 3.440 50 0 EGAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCSCC1 ZINC000061997590 454365351 /nfs/dbraw/zinc/36/53/51/454365351.db2.gz KKBQRPDZWUMLQT-FXRXJOCMSA-N 1 0 335.513 3.494 50 0 biogenic EGAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CC1CCCC1)C2 ZINC000091350917 454430054 /nfs/dbraw/zinc/43/00/54/454430054.db2.gz ALCDAZLUCZVHTN-ZWKOTPCHSA-N 1 0 345.487 3.295 50 0 EGAARO Cc1[nH]c2c(c1CC(=O)N1CC[NH+](CC3CC3)CC1)c(C)ccc2C ZINC000091547149 454445106 /nfs/dbraw/zinc/44/51/06/454445106.db2.gz IKBLVIPSOIWKQO-UHFFFAOYSA-N 1 0 339.483 3.190 50 0 EGAARO O=C(CC[N@H+]1CCC[C@@H](Oc2ccc(F)cc2)C1)Nc1nccs1 ZINC000065370519 454555309 /nfs/dbraw/zinc/55/53/09/454555309.db2.gz UVNNOSOSJVICCR-OAHLLOKOSA-N 1 0 349.431 3.154 50 0 EGAARO CC(=O)N(CC1=CCC[N@H+](CCCOc2ccccc2)C1)C1CC1 ZINC000065409870 454561451 /nfs/dbraw/zinc/56/14/51/454561451.db2.gz CLSLFJFPRXKSKK-UHFFFAOYSA-N 1 0 328.456 3.099 50 0 EGAARO Cc1ccccc1-c1ncc(C[NH+]2CCC3(CNC(=O)C3)CC2)s1 ZINC000065500277 454578714 /nfs/dbraw/zinc/57/87/14/454578714.db2.gz RHRIMYUWFGXFEI-UHFFFAOYSA-N 1 0 341.480 3.221 50 0 EGAARO Cc1noc(C)c1CCC[NH2+]Cc1nc(-c2ccccc2C)no1 ZINC000065528274 454585507 /nfs/dbraw/zinc/58/55/07/454585507.db2.gz DYBVOMNAPOYBTP-UHFFFAOYSA-N 1 0 326.400 3.372 50 0 EGAARO C[C@@H]([NH2+]Cc1cc(F)ccc1C(F)(F)F)C(=O)NC1CCCC1 ZINC000065533579 454586369 /nfs/dbraw/zinc/58/63/69/454586369.db2.gz MZTMXYUFFGBEKM-SNVBAGLBSA-N 1 0 332.341 3.381 50 0 EGAARO CNc1nc2sc(-c3cccc([C@@H](C)[NH3+])c3)nc2c2c1ncn2C ZINC000150057298 454880037 /nfs/dbraw/zinc/88/00/37/454880037.db2.gz CZRYSMBQRFAWQC-SECBINFHSA-N 1 0 338.440 3.306 50 0 EGAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000264447564 455215428 /nfs/dbraw/zinc/21/54/28/455215428.db2.gz UWJVDXJOQGYYSC-IBGZPJMESA-N 1 0 338.451 3.432 50 0 EGAARO C[NH+](C)CCCNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 ZINC000253414864 455841436 /nfs/dbraw/zinc/84/14/36/455841436.db2.gz YVICTTFGMIMPHO-KRWDZBQOSA-N 1 0 347.890 3.383 50 0 EGAARO CC[N@H+](C)C1(CNc2cc(C3CC(O)C3)nc(C)n2)CCCCC1 ZINC000219897512 456035994 /nfs/dbraw/zinc/03/59/94/456035994.db2.gz QKLZYHSHHXLOIJ-UHFFFAOYSA-N 1 0 332.492 3.090 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000220469263 456040753 /nfs/dbraw/zinc/04/07/53/456040753.db2.gz OMDUTSXHBARPAO-CQSZACIVSA-N 1 0 328.378 3.191 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263588844 456178486 /nfs/dbraw/zinc/17/84/86/456178486.db2.gz ZEHYKHOEBGWMCH-DLBZAZTESA-N 1 0 331.485 3.130 50 0 EGAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000299772642 456780014 /nfs/dbraw/zinc/78/00/14/456780014.db2.gz AOVSKQBTYOKMDY-GFCCVEGCSA-N 1 0 343.381 3.458 50 0 EGAARO [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(SCc3ccco3)cc2)C1 ZINC000299774235 456780583 /nfs/dbraw/zinc/78/05/83/456780583.db2.gz APMWJYJKGWLJSY-CYBMUJFWSA-N 1 0 331.441 3.384 50 0 EGAARO CCOc1ccc(CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C)C2CC2)cc1 ZINC000426433658 457829511 /nfs/dbraw/zinc/82/95/11/457829511.db2.gz MTTDSFUOBMKMQP-SFHVURJKSA-N 1 0 345.487 3.244 50 0 EGAARO COc1ccc(-c2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)c2)c(F)c1 ZINC000426487743 457839999 /nfs/dbraw/zinc/83/99/99/457839999.db2.gz ZCYQVKCJNYQIAQ-INIZCTEOSA-N 1 0 342.414 3.277 50 0 EGAARO Cc1nc(C)c(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)s1 ZINC000426545170 457853060 /nfs/dbraw/zinc/85/30/60/457853060.db2.gz SACMHTYHFWAQHT-UHFFFAOYSA-N 1 0 329.469 3.253 50 0 EGAARO c1ccc(C[N@H+]2C[C@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)cc1 ZINC000480584308 459206577 /nfs/dbraw/zinc/20/65/77/459206577.db2.gz SBUHYKCRRMEXHT-HDICACEKSA-N 1 0 330.435 3.198 50 0 EGAARO Fc1cccc(N2CCC([NH2+]CC3(Cn4ccnc4)CC3)CC2)c1 ZINC000534673154 459345544 /nfs/dbraw/zinc/34/55/44/459345544.db2.gz MARFCVPHEAOQLG-UHFFFAOYSA-N 1 0 328.435 3.061 50 0 EGAARO O=C(NC1(C[NH+]2CCCCC2)CC1)N1CCCC[C@@H]1c1nccs1 ZINC000534676129 459346076 /nfs/dbraw/zinc/34/60/76/459346076.db2.gz UIONTMFUKGMQJF-OAHLLOKOSA-N 1 0 348.516 3.398 50 0 EGAARO O=C([C@H]1CCCO1)N1CCC([NH2+]C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000584901131 459820856 /nfs/dbraw/zinc/82/08/56/459820856.db2.gz UXZPYNIKHKHORO-QGZVFWFLSA-N 1 0 348.874 3.089 50 0 EGAARO CCOC1CC[NH+](Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 ZINC000216416507 535399387 /nfs/dbraw/zinc/39/93/87/535399387.db2.gz HFQIYKQKUNIQLN-UHFFFAOYSA-N 1 0 327.428 3.153 50 0 EGAARO CN(CCC(=O)Nc1ccc(Cl)cc1)CC[N@H+](C)C1CCCC1 ZINC000244787837 536306996 /nfs/dbraw/zinc/30/69/96/536306996.db2.gz QEPKKWKZXAJTGW-UHFFFAOYSA-N 1 0 337.895 3.475 50 0 EGAARO CC(C)[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)n1cccc1 ZINC000575443470 548087004 /nfs/dbraw/zinc/08/70/04/548087004.db2.gz KQFHJESTNXQGAI-IBGZPJMESA-N 1 0 340.471 3.076 50 0 EGAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2cnc(-c3ccco3)nc2)n1 ZINC000670437764 548215801 /nfs/dbraw/zinc/21/58/01/548215801.db2.gz IJVLWSCYUOMTBX-UHFFFAOYSA-N 1 0 325.416 3.072 50 0 EGAARO Fc1ccc(Cn2ncnc2[C@@H]2CCCN(c3ccccn3)C2)cc1 ZINC000670450253 548216760 /nfs/dbraw/zinc/21/67/60/548216760.db2.gz SIUJMIFHEOUKES-MRXNPFEDSA-N 1 0 337.402 3.245 50 0 EGAARO O=C(NCCC1CC[NH+](C2CCCC2)CC1)c1onc2c1CCCC2 ZINC000670466100 548220017 /nfs/dbraw/zinc/22/00/17/548220017.db2.gz CPFHDSPTUQPHHM-UHFFFAOYSA-N 1 0 345.487 3.328 50 0 EGAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2ccon2)C1 ZINC000011771843 1291127774 /nfs/dbraw/zinc/12/77/74/1291127774.db2.gz BPXOSEPDYGUWEU-GOSISDBHSA-N 1 0 327.472 3.370 50 0 EGAARO CN(C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)o1 ZINC000012304139 1291131670 /nfs/dbraw/zinc/13/16/70/1291131670.db2.gz JFRCFCKZRQQABC-INIZCTEOSA-N 1 0 347.503 3.258 50 0 EGAARO O=c1c2c(ncn1C1CCCC1)sc1c2CC[C@H]([NH2+]C2CC2)C1 ZINC000019112254 1291191320 /nfs/dbraw/zinc/19/13/20/1291191320.db2.gz ZLGJRVRCIUAFBD-LBPRGKRZSA-N 1 0 329.469 3.182 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[NH2+]C2Cc3ccccc3C2)c(F)c1 ZINC000020776046 1291194951 /nfs/dbraw/zinc/19/49/51/1291194951.db2.gz HRICKTULEJCAQU-UHFFFAOYSA-N 1 0 337.398 3.481 50 0 EGAARO O=C(CSc1ccncc1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013169 1292418423 /nfs/dbraw/zinc/41/84/23/1292418423.db2.gz YGIBBSXQHVOOJZ-AWEZNQCLSA-N 1 0 347.509 3.016 50 0 EGAARO CC1=CCCC(C)=C[C@@H](O)[C@H]2[C@@H](C[NH+]3CCCCC3)C(=O)O[C@H]2C1 ZINC000257199017 1296587622 /nfs/dbraw/zinc/58/76/22/1296587622.db2.gz PBRLWNMMGXHHMD-AKHDSKFASA-N 1 0 333.472 3.068 50 0 biogenic EGAARO O=c1cc2c(nn1CC1CC[NH+](Cc3ccccc3)CC1)CCCC2 ZINC000585500363 1298041066 /nfs/dbraw/zinc/04/10/66/1298041066.db2.gz IBYDQHSRJBKJMO-UHFFFAOYSA-N 1 0 337.467 3.034 50 0 EGAARO C[C@@H]([NH2+]C1CSCCSC1)c1ccc2c(c1)OCCCO2 ZINC000822268530 1320066097 /nfs/dbraw/zinc/06/60/97/1320066097.db2.gz FTAHEUHHZWAQGC-GFCCVEGCSA-N 1 0 325.499 3.347 50 0 EGAARO CCC[C@@H](Cn1cnc2c(Cl)ccc(Cl)c2c1=O)[NH+](C)C ZINC000822790911 1320123791 /nfs/dbraw/zinc/12/37/91/1320123791.db2.gz ZPESYSCRUIMEDK-JTQLQIEISA-N 1 0 328.243 3.434 50 0 EGAARO CCOC[C@@H]1CCC[N@@H+]1Cc1ccc2cc(NC(C)=O)ccc2n1 ZINC000823318444 1320170100 /nfs/dbraw/zinc/17/01/00/1320170100.db2.gz CDSSCSMDKAIDPO-SFHVURJKSA-N 1 0 327.428 3.194 50 0 EGAARO CC(C)(C[NH2+][C@H](Cn1cccn1)c1ccccc1)N1CCCCC1 ZINC000952962771 1334625777 /nfs/dbraw/zinc/62/57/77/1334625777.db2.gz FXJKXDJFANIUQT-LJQANCHMSA-N 1 0 326.488 3.479 50 0 EGAARO CC[C@H](C)C(=O)Nc1ccccc1C(=O)NCC[NH+]1CCCCCC1 ZINC000952974079 1334627831 /nfs/dbraw/zinc/62/78/31/1334627831.db2.gz HPNLLEFUUIYVQC-INIZCTEOSA-N 1 0 345.487 3.277 50 0 EGAARO CC[C@@H](C(=O)Nc1ccccc1C[NH+]1CCCCC1)n1cccn1 ZINC000952985237 1334630577 /nfs/dbraw/zinc/63/05/77/1334630577.db2.gz FRXZYXZPDQSUHW-SFHVURJKSA-N 1 0 326.444 3.459 50 0 EGAARO CC(C)(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1Cl ZINC000952986379 1334630751 /nfs/dbraw/zinc/63/07/51/1334630751.db2.gz DTECJINTQAJFNI-CQSZACIVSA-N 1 0 337.851 3.405 50 0 EGAARO CC(=O)c1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)n(C)c1 ZINC000952988656 1334631380 /nfs/dbraw/zinc/63/13/80/1334631380.db2.gz OHGKNVFQMQMVJI-GOSISDBHSA-N 1 0 343.446 3.121 50 0 EGAARO CN(Cc1cnc2ccccc2c1)C(=O)CSCC[NH+]1CCCC1 ZINC001704352113 1416453293 /nfs/dbraw/zinc/45/32/93/1416453293.db2.gz SWTIGHCAJMUQMA-UHFFFAOYSA-N 1 0 343.496 3.022 50 0 EGAARO c1cnn(CCC2CC[NH+](C[C@@H]3CC(c4ccccc4)=NO3)CC2)c1 ZINC001704353878 1416453946 /nfs/dbraw/zinc/45/39/46/1416453946.db2.gz UWULUWFNDNXKKP-IBGZPJMESA-N 1 0 338.455 3.178 50 0 EGAARO Cc1c2cc(C)ccc2[nH]c1CN1CC[C@@]2(CO)CCC[N@@H+](C)[C@@H]2C1 ZINC001704358618 1416455726 /nfs/dbraw/zinc/45/57/26/1416455726.db2.gz PWKKAWIBQNZQRX-NHCUHLMSSA-N 1 0 341.499 3.063 50 0 EGAARO CC(C)(C)c1ccc(C(=O)CCC[NH+]2CCC([C@@H](O)CO)CC2)cc1 ZINC001772812774 1441417523 /nfs/dbraw/zinc/41/75/23/1441417523.db2.gz QJPJYBMWCBIVPI-FQEVSTJZSA-N 1 0 347.499 3.012 50 0 EGAARO CCSc1ncc(C[NH+]2CCC(Cc3ccc(=O)[nH]c3)CC2)cn1 ZINC001772819885 1441417786 /nfs/dbraw/zinc/41/77/86/1441417786.db2.gz WOWJKJQLJLDPTC-UHFFFAOYSA-N 1 0 344.484 3.144 50 0 EGAARO CC[C@H](C)Oc1cccc(C[NH+]2CCC(Cc3nncn3C)CC2)c1 ZINC000055282640 214301220 /nfs/dbraw/zinc/30/12/20/214301220.db2.gz OVTUYCFLYHSNSR-INIZCTEOSA-N 1 0 342.487 3.447 50 0 EGAARO Cc1ccc(C[N@H+](CCCO)Cc2ccc(-n3cncn3)cc2)s1 ZINC000055326845 214308196 /nfs/dbraw/zinc/30/81/96/214308196.db2.gz WFNIQBQLRYITLA-UHFFFAOYSA-N 1 0 342.468 3.022 50 0 EGAARO CC(C)Oc1cc(F)cc(-c2ccc(CN3CC[NH+](C)CC3)cn2)c1 ZINC000097759294 219056012 /nfs/dbraw/zinc/05/60/12/219056012.db2.gz ZQWVUBNQHLSRKE-UHFFFAOYSA-N 1 0 343.446 3.422 50 0 EGAARO C[NH+]1CCC(Oc2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000065362090 214874951 /nfs/dbraw/zinc/87/49/51/214874951.db2.gz ONKPICUJGBJYOB-UHFFFAOYSA-N 1 0 340.423 3.177 50 0 EGAARO CN(Cc1cccc2cnccc21)c1nc(CC[NH3+])nc2ccccc21 ZINC000065462174 214918380 /nfs/dbraw/zinc/91/83/80/214918380.db2.gz JNEYZVANYPDQNB-UHFFFAOYSA-N 1 0 343.434 3.316 50 0 EGAARO Fc1ccc(Oc2ncccc2C[NH2+][C@H]2CN3CCC2CC3)cc1F ZINC000067561057 215162050 /nfs/dbraw/zinc/16/20/50/215162050.db2.gz KVCIFETYQZWLNO-SFHVURJKSA-N 1 0 345.393 3.336 50 0 EGAARO O=C(OCc1ccccc1)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000042782930 213534504 /nfs/dbraw/zinc/53/45/04/213534504.db2.gz KLKSRGCKYXJOBW-UHFFFAOYSA-N 1 0 325.408 3.422 50 0 EGAARO O=C(c1cccnc1)[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067648847 215173293 /nfs/dbraw/zinc/17/32/93/215173293.db2.gz KNYIYDKFPKALQL-KRWDZBQOSA-N 1 0 347.418 3.018 50 0 EGAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000067695014 215188185 /nfs/dbraw/zinc/18/81/85/215188185.db2.gz RQNCAXVMUQOJPB-KBPBESRZSA-N 1 0 337.345 3.215 50 0 EGAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]C3(CC(C)C)CC3)C2=O)c1 ZINC000067773862 215209810 /nfs/dbraw/zinc/20/98/10/215209810.db2.gz AWKBEGZYODWIJZ-NRFANRHFSA-N 1 0 344.499 3.017 50 0 EGAARO C[N@H+](Cc1cnc(N2CCCC2)nc1)Cc1cccc2ncccc12 ZINC000067852239 215231593 /nfs/dbraw/zinc/23/15/93/215231593.db2.gz ZCKHBVHFJFKGBC-UHFFFAOYSA-N 1 0 333.439 3.257 50 0 EGAARO Ic1ccc(OCC[NH2+]C2CCCC2)cc1 ZINC000002845142 209926341 /nfs/dbraw/zinc/92/63/41/209926341.db2.gz DFVGZTVZXSOZBQ-UHFFFAOYSA-N 1 0 331.197 3.202 50 0 EGAARO C[C@H]1CCCc2sc3nc(NCCC[NH+](C)C)n4ncnc4c3c21 ZINC000002201641 209829663 /nfs/dbraw/zinc/82/96/63/209829663.db2.gz UQCCDZXWSMIPSZ-NSHDSACASA-N 1 0 344.488 3.142 50 0 EGAARO CC(C)=CCN1CC[N@H+](Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104409448 219385063 /nfs/dbraw/zinc/38/50/63/219385063.db2.gz YCIWFQOYGLJSFL-HXUWFJFHSA-N 1 0 339.483 3.070 50 0 EGAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Br)ccc1Cl ZINC000037975158 213179162 /nfs/dbraw/zinc/17/91/62/213179162.db2.gz JTGJJBGSIMXEEB-NSHDSACASA-N 1 0 345.668 3.317 50 0 EGAARO OCCOCC[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072121543 216013321 /nfs/dbraw/zinc/01/33/21/216013321.db2.gz FHMHRHMBNCDFCZ-OAHLLOKOSA-N 1 0 345.405 3.359 50 0 EGAARO c1cn(-c2ccc(C[N@H+]3CCC[C@H](OCc4ccccn4)C3)cc2)cn1 ZINC000072138729 216026614 /nfs/dbraw/zinc/02/66/14/216026614.db2.gz XSNJNWWXKKZDAC-NRFANRHFSA-N 1 0 348.450 3.449 50 0 EGAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N(Cc1cccc(O)c1)C1CC1 ZINC000072133789 216022713 /nfs/dbraw/zinc/02/27/13/216022713.db2.gz OQYZTCPWSDOJSF-INIZCTEOSA-N 1 0 336.435 3.274 50 0 EGAARO COc1ccccc1[C@@H]1C[N@H+](Cc2ccncc2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072150420 216038322 /nfs/dbraw/zinc/03/83/22/216038322.db2.gz KVVFMQHHVSFZNZ-KSEOMHKRSA-N 1 0 349.478 3.152 50 0 EGAARO COc1ccccc1N1CC[N@H+](Cc2cccc3nccnc23)[C@H](C)C1 ZINC000072151794 216039712 /nfs/dbraw/zinc/03/97/12/216039712.db2.gz QURKDMBQQOXCSC-MRXNPFEDSA-N 1 0 348.450 3.349 50 0 EGAARO CCc1cc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)ncn1 ZINC000072148979 216036347 /nfs/dbraw/zinc/03/63/47/216036347.db2.gz ATEXXEDBLMWGLW-HMXCVIKNSA-N 1 0 334.467 3.106 50 0 EGAARO c1csc(CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072150039 216037890 /nfs/dbraw/zinc/03/78/90/216037890.db2.gz GHQIDVCBNYRACR-QXAKKESOSA-N 1 0 325.481 3.205 50 0 EGAARO OC[C@]1(O)CCC[N@H+](Cc2ccc(SC3CCCCC3)o2)CC1 ZINC000072156447 216044968 /nfs/dbraw/zinc/04/49/68/216044968.db2.gz ZWZGKHHCWGRWIH-SFHVURJKSA-N 1 0 339.501 3.414 50 0 EGAARO C[C@@H](Cc1ccsc1)Nc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072157578 216046723 /nfs/dbraw/zinc/04/67/23/216046723.db2.gz UOWHGCQIBHRMFD-LBPRGKRZSA-N 1 0 337.452 3.246 50 0 EGAARO CC(C)(C[NH+]1CCC(Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000072167124 216057526 /nfs/dbraw/zinc/05/75/26/216057526.db2.gz KRFBYNZOWOTUQI-UHFFFAOYSA-N 1 0 334.479 3.191 50 0 EGAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174545 216064585 /nfs/dbraw/zinc/06/45/85/216064585.db2.gz DITADBCFKMQAFA-MRXNPFEDSA-N 1 0 336.439 3.358 50 0 EGAARO CC(C)(O)CCc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000072419506 216207512 /nfs/dbraw/zinc/20/75/12/216207512.db2.gz JAQWMYLQAGRPJQ-IBGZPJMESA-N 1 0 344.499 3.091 50 0 EGAARO CCc1cnc(C)nc1N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072422870 216211675 /nfs/dbraw/zinc/21/16/75/216211675.db2.gz FPVWBAAAMBLZAN-IBGZPJMESA-N 1 0 336.483 3.391 50 0 EGAARO Cn1ncc(C[N@@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1C1CC1 ZINC000072425942 216215823 /nfs/dbraw/zinc/21/58/23/216215823.db2.gz CEUFHYAYZSQEFS-GOSISDBHSA-N 1 0 337.467 3.321 50 0 EGAARO Cc1cc2nc(-c3ccccc3)cc(N(C)C[C@]3(C)CC[N@H+](C)C3)n2n1 ZINC000072433908 216228714 /nfs/dbraw/zinc/22/87/14/216228714.db2.gz MYGYWWCFCQDDJC-OAQYLSRUSA-N 1 0 349.482 3.483 50 0 EGAARO CC(C)(O)CCc1ccc(C[NH+]2CCC(Cn3ccnc3)CC2)cc1 ZINC000072448183 216237272 /nfs/dbraw/zinc/23/72/72/216237272.db2.gz UNXOCEMGJRGSOJ-UHFFFAOYSA-N 1 0 341.499 3.499 50 0 EGAARO CCc1nc2c(c(N[C@@H](CC)c3nc(C)c(C)s3)n1)CC[NH2+]CC2 ZINC000072447853 216237999 /nfs/dbraw/zinc/23/79/99/216237999.db2.gz YMJBKFYDUQRDHP-AWEZNQCLSA-N 1 0 345.516 3.364 50 0 EGAARO Cc1[nH]c2c(cccc2C[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)c1C ZINC000072458410 216243531 /nfs/dbraw/zinc/24/35/31/216243531.db2.gz IHQLRBCPIIEWHP-LJQANCHMSA-N 1 0 327.428 3.201 50 0 EGAARO C[C@@H](Nc1nc(C2CCCC2)nc2c1CC[NH2+]CC2)c1nccs1 ZINC000072462602 216245173 /nfs/dbraw/zinc/24/51/73/216245173.db2.gz ZDOKSPVCCZNQRM-GFCCVEGCSA-N 1 0 343.500 3.452 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072477091 216255750 /nfs/dbraw/zinc/25/57/50/216255750.db2.gz KACMLYFVFJGRED-MRXNPFEDSA-N 1 0 344.499 3.089 50 0 EGAARO OCc1ccc(C[NH+]2CCC(n3cc(C4CCCCC4)nn3)CC2)o1 ZINC000023478912 212379785 /nfs/dbraw/zinc/37/97/85/212379785.db2.gz HPJQFPGIOBKCRJ-UHFFFAOYSA-N 1 0 344.459 3.248 50 0 EGAARO CC(C)=CC[N@@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@@H]1CCO ZINC000023360684 212370251 /nfs/dbraw/zinc/37/02/51/212370251.db2.gz HKZBLWIFCZADHE-IBGZPJMESA-N 1 0 327.472 3.003 50 0 EGAARO Fc1ccc(N2CCC(N3CCC[C@H]([NH+]4CCCC4)C3)CC2)cc1 ZINC000022851666 212329472 /nfs/dbraw/zinc/32/94/72/212329472.db2.gz YJVOZTFNKNDSMP-FQEVSTJZSA-N 1 0 331.479 3.355 50 0 EGAARO CCOc1ccc(CN2CC[NH+](CC3CC3)CC2)c(OCC)c1C ZINC000215744386 241142999 /nfs/dbraw/zinc/14/29/99/241142999.db2.gz ZRDIGTQJWTXIOL-UHFFFAOYSA-N 1 0 332.488 3.320 50 0 EGAARO Cc1nc2ccc(Cl)cn2c1C(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000215770433 241145001 /nfs/dbraw/zinc/14/50/01/241145001.db2.gz XWXBOEPHJHLUEC-UHFFFAOYSA-N 1 0 348.878 3.243 50 0 EGAARO C[N@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C1CCSCC1 ZINC000216270228 241177281 /nfs/dbraw/zinc/17/72/81/241177281.db2.gz GEGWCEQBKFDBCQ-UHFFFAOYSA-N 1 0 348.512 3.015 50 0 EGAARO C[N@@H+]1CCN(Cc2cnc(-c3ccccn3)nc2)[C@@H](c2ccccc2)C1 ZINC000216284783 241180285 /nfs/dbraw/zinc/18/02/85/241180285.db2.gz GBKMIIXWBCLEBK-HXUWFJFHSA-N 1 0 345.450 3.027 50 0 EGAARO C[N@@H+](Cc1ccc2[nH]ccc2c1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000215498881 241128421 /nfs/dbraw/zinc/12/84/21/241128421.db2.gz AACAPERMIQVGRX-INIZCTEOSA-N 1 0 325.456 3.391 50 0 EGAARO CCCn1ccnc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000215563443 241131120 /nfs/dbraw/zinc/13/11/20/241131120.db2.gz ACQJSFZRPAPDKD-IBGZPJMESA-N 1 0 326.488 3.247 50 0 EGAARO OCC1(C[NH+]2CCCC2)CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000218984817 241358571 /nfs/dbraw/zinc/35/85/71/241358571.db2.gz YSHLTHMAHGHGNH-UHFFFAOYSA-N 1 0 340.870 3.149 50 0 EGAARO COc1ccc(CCN(C)[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000020999342 212197846 /nfs/dbraw/zinc/19/78/46/212197846.db2.gz XBZMBCUPBFQPOP-GOSISDBHSA-N 1 0 332.488 3.053 50 0 EGAARO CSc1ccccc1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000020995939 212195819 /nfs/dbraw/zinc/19/58/19/212195819.db2.gz HELAKCZOEMFCML-UHFFFAOYSA-N 1 0 338.436 3.475 50 0 EGAARO OC[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000020856152 212176653 /nfs/dbraw/zinc/17/66/53/212176653.db2.gz BHHUAQWFKXWFLY-IBGZPJMESA-N 1 0 333.435 3.496 50 0 EGAARO COCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(F)ccc1F ZINC000244764162 243076260 /nfs/dbraw/zinc/07/62/60/243076260.db2.gz PCJNRAWMPYJEQL-CQSZACIVSA-N 1 0 326.387 3.184 50 0 EGAARO CC(C)C[C@H]1COCC[N@@H+]1CCC(=O)NCc1cccc(Cl)c1 ZINC000244723588 243069441 /nfs/dbraw/zinc/06/94/41/243069441.db2.gz MEDXVSVWHBZIDQ-KRWDZBQOSA-N 1 0 338.879 3.093 50 0 EGAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2scnc2c1 ZINC000020426655 212127972 /nfs/dbraw/zinc/12/79/72/212127972.db2.gz ZNCNUUPYSFPONQ-GOEBONIOSA-N 1 0 329.469 3.291 50 0 EGAARO COc1ccccc1OC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000020255943 212114764 /nfs/dbraw/zinc/11/47/64/212114764.db2.gz WFJDTRRGGJBRGL-QGZVFWFLSA-N 1 0 332.488 3.413 50 0 EGAARO CCN(CC)CC[NH2+]C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000020112132 212103018 /nfs/dbraw/zinc/10/30/18/212103018.db2.gz IXWZZPQLSGSFEA-JFQNMGATSA-N 1 0 348.531 3.232 50 0 biogenic EGAARO O=C(NCc1ccco1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020102810 212100083 /nfs/dbraw/zinc/10/00/83/212100083.db2.gz YLQUMBQOMKYJMB-UHFFFAOYSA-N 1 0 332.831 3.461 50 0 EGAARO COc1cccc(CN2CC[NH+](C3CCC(C)CC3)CC2)c1OC ZINC000019788290 212066745 /nfs/dbraw/zinc/06/67/45/212066745.db2.gz WNYOGWMHNDOBCB-UHFFFAOYSA-N 1 0 332.488 3.400 50 0 EGAARO CC[C@H](C)[NH+]1CCN(Cc2cc(Br)ccc2OC)CC1 ZINC000019358987 212021582 /nfs/dbraw/zinc/02/15/82/212021582.db2.gz MJSJBRSJEVXTHY-ZDUSSCGKSA-N 1 0 341.293 3.374 50 0 EGAARO CC(=O)c1ccc(N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)nc1 ZINC000015064628 211794247 /nfs/dbraw/zinc/79/42/47/211794247.db2.gz PTTLUKBTJUVVOG-IBGZPJMESA-N 1 0 329.488 3.479 50 0 EGAARO O=C1CC[C@H]([NH2+]C2CCCCC2)CCN1CCOc1ccccc1 ZINC000012451192 211386332 /nfs/dbraw/zinc/38/63/32/211386332.db2.gz LDEYBJCSSVVTOL-SFHVURJKSA-N 1 0 330.472 3.369 50 0 EGAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000012075003 211286031 /nfs/dbraw/zinc/28/60/31/211286031.db2.gz IAZMVJDITFHLLZ-LJQANCHMSA-N 1 0 340.467 3.378 50 0 EGAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000091350714 217996418 /nfs/dbraw/zinc/99/64/18/217996418.db2.gz QTYYORVEFVRALI-LJQANCHMSA-N 1 0 344.499 3.315 50 0 EGAARO CCn1nc(CC(C)C)cc1C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000091391462 218000971 /nfs/dbraw/zinc/00/09/71/218000971.db2.gz RQJKVJJEYMPOAN-SFHVURJKSA-N 1 0 346.519 3.192 50 0 EGAARO Cc1ccc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccn3)C2)c1 ZINC000091551997 218021570 /nfs/dbraw/zinc/02/15/70/218021570.db2.gz BRXQNJSCROQBNS-UYAOXDASSA-N 1 0 349.478 3.435 50 0 EGAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1cc(C2CC2)on1 ZINC000011774851 211246649 /nfs/dbraw/zinc/24/66/49/211246649.db2.gz GMFPXAHVUIRZCO-INIZCTEOSA-N 1 0 331.460 3.327 50 0 EGAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C(C)(C)Oc1cccc(C)c1)C2 ZINC000091808412 218069936 /nfs/dbraw/zinc/06/99/36/218069936.db2.gz MPKDCNRQTRWZKB-QZTJIDSGSA-N 1 0 344.499 3.485 50 0 EGAARO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)[nH]n1 ZINC000091943842 218092752 /nfs/dbraw/zinc/09/27/52/218092752.db2.gz WWSOKTNCHJVRTB-QGZVFWFLSA-N 1 0 327.472 3.264 50 0 EGAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)cc[nH+]1 ZINC000092046145 218110998 /nfs/dbraw/zinc/11/09/98/218110998.db2.gz SDXZQENEUQFJFL-GOSISDBHSA-N 1 0 333.439 3.414 50 0 EGAARO CCOCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2 ZINC000095353178 218287470 /nfs/dbraw/zinc/28/74/70/218287470.db2.gz QLUJPBOTQWLNLP-IBGZPJMESA-N 1 0 344.499 3.141 50 0 EGAARO COc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1C ZINC000095370666 218303362 /nfs/dbraw/zinc/30/33/62/218303362.db2.gz PECGJJWFCHNYRY-PKOBYXMFSA-N 1 0 342.483 3.145 50 0 EGAARO COc1cccc([C@H]2CCN2C(=O)CC2CC[NH+](C(C)C)CC2)c1 ZINC000095381228 218313818 /nfs/dbraw/zinc/31/38/18/218313818.db2.gz GFJAUIHSBUNJQF-LJQANCHMSA-N 1 0 330.472 3.479 50 0 EGAARO CCc1cccc(OCCCN(C)C(=O)[C@H]2CCCCC[N@@H+]2C)c1 ZINC000095387518 218318984 /nfs/dbraw/zinc/31/89/84/218318984.db2.gz DJPGOKPKMPQUMM-LJQANCHMSA-N 1 0 332.488 3.351 50 0 EGAARO C[C@@H](Cc1ccsc1)NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095392110 218323835 /nfs/dbraw/zinc/32/38/35/218323835.db2.gz RSOMOINWWGLGKI-AWEZNQCLSA-N 1 0 332.469 3.301 50 0 EGAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000004872371 210310369 /nfs/dbraw/zinc/31/03/69/210310369.db2.gz KSRHTXHPUCCQJF-MRXNPFEDSA-N 1 0 328.799 3.070 50 0 EGAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000004865655 210305292 /nfs/dbraw/zinc/30/52/92/210305292.db2.gz IPLAQDHNOPLIEJ-NFAWXSAZSA-N 1 0 342.277 3.452 50 0 EGAARO CCOCC1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000097370478 219015644 /nfs/dbraw/zinc/01/56/44/219015644.db2.gz NOGPZQRSNONMPZ-UHFFFAOYSA-N 1 0 330.472 3.219 50 0 EGAARO CC(C)[NH+](C[C@H](O)COc1ccccc1Br)C(C)C ZINC000004819749 210286640 /nfs/dbraw/zinc/28/66/40/210286640.db2.gz HTMZGPXQMHHDSQ-ZDUSSCGKSA-N 1 0 330.266 3.308 50 0 EGAARO S=C(NCC[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000004749830 210269950 /nfs/dbraw/zinc/26/99/50/210269950.db2.gz YQEKOWIWTHUKPX-UHFFFAOYSA-N 1 0 342.306 3.221 50 0 EGAARO CN(C)c1cccc(-c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)c1 ZINC000426545109 257963950 /nfs/dbraw/zinc/96/39/50/257963950.db2.gz RMLQNCSXQYFIKZ-HXUWFJFHSA-N 1 0 337.467 3.373 50 0 EGAARO O=C(NCc1cnc2c(c1)CCC2)C1([NH+]2CCCCC2)CCCCC1 ZINC000426477182 257967663 /nfs/dbraw/zinc/96/76/63/257967663.db2.gz IQSRDBWLEQLORA-UHFFFAOYSA-N 1 0 341.499 3.375 50 0 EGAARO COc1cccc(CCc2nc3cccnc3n2C2CC[NH2+]CC2)c1 ZINC000299785961 258093116 /nfs/dbraw/zinc/09/31/16/258093116.db2.gz SHUQFOIEWNGKFX-UHFFFAOYSA-N 1 0 336.439 3.150 50 0 EGAARO COCC[N@@H+](Cc1cc(=O)c2cc(C)cc(C)c2[nH]1)C[C@@H]1CCCO1 ZINC000299791966 258097591 /nfs/dbraw/zinc/09/75/91/258097591.db2.gz DIRLVIIETRAXMS-KRWDZBQOSA-N 1 0 344.455 3.185 50 0 EGAARO Cc1ccc(C(=O)NCCC2CC[NH+](C(C)C)CC2)n1C(F)F ZINC000299796078 258100369 /nfs/dbraw/zinc/10/03/69/258100369.db2.gz MZFQDHOOKQHARZ-UHFFFAOYSA-N 1 0 327.419 3.432 50 0 EGAARO COc1ccc(C[NH2+]Cc2ccncc2)cc1OC[C@@H]1CCCCO1 ZINC000299760089 258077026 /nfs/dbraw/zinc/07/70/26/258077026.db2.gz RBJWCCNYGLZXCO-SFHVURJKSA-N 1 0 342.439 3.328 50 0 EGAARO O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)c1cccc(-c2ncc[nH]2)c1 ZINC000299760332 258077392 /nfs/dbraw/zinc/07/73/92/258077392.db2.gz QHFVEFRMDQOGSO-KRWDZBQOSA-N 1 0 338.455 3.214 50 0 EGAARO CO[C@]12CC[N@H+](Cc3nccn3C3CC3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299767640 258082385 /nfs/dbraw/zinc/08/23/85/258082385.db2.gz JEIDMXBCLMCFRU-CMKODMSKSA-N 1 0 345.487 3.157 50 0 EGAARO CSCCC[NH+]1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091713137 286666317 /nfs/dbraw/zinc/66/63/17/286666317.db2.gz NRZVMQIOJBCAKZ-UHFFFAOYSA-N 1 0 347.528 3.039 50 0 EGAARO CCC[C@H](C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091964969 276039627 /nfs/dbraw/zinc/03/96/27/276039627.db2.gz RKOCZCCMGJVJBP-KRWDZBQOSA-N 1 0 346.519 3.093 50 0 EGAARO Cc1ccc(N[C@](C)(C(=O)N2CCC([NH3+])CC2)c2ccccc2)cc1 ZINC000055269770 278835443 /nfs/dbraw/zinc/83/54/43/278835443.db2.gz BRKUIOAJIOZNTL-NRFANRHFSA-N 1 0 337.467 3.272 50 0 EGAARO Cc1ccc(-c2nc(-c3ccccc3)nn2-c2cc[nH+]c(C)c2)c(=O)[nH]1 ZINC000067852054 280291838 /nfs/dbraw/zinc/29/18/38/280291838.db2.gz MTPMEPSUNZOTQG-UHFFFAOYSA-N 1 0 343.390 3.301 50 0 EGAARO Cc1ccc([C@@H]2CN(C(=O)CCC(F)(F)F)C[C@H]2[NH+](C)C)cc1 ZINC000095519048 301744237 /nfs/dbraw/zinc/74/42/37/301744237.db2.gz MPILVSBHYDPLJI-LSDHHAIUSA-N 1 0 328.378 3.194 50 0 EGAARO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000000056794 452496006 /nfs/dbraw/zinc/49/60/06/452496006.db2.gz QELDJEKNFOQJOY-CYBMUJFWSA-N 1 0 341.407 3.170 50 0 EGAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1 ZINC000000342347 452565984 /nfs/dbraw/zinc/56/59/84/452565984.db2.gz QPMQPXRLVJTDPD-UHFFFAOYSA-N 1 0 344.846 3.129 50 0 EGAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000000360002 452571606 /nfs/dbraw/zinc/57/16/06/452571606.db2.gz YCJJKPFHLYUSRW-UHFFFAOYSA-N 1 0 335.407 3.437 50 0 EGAARO COc1ccc([N+]2=C3CCCCN3C[C@@]2(O)c2ccc(F)cc2)cc1 ZINC000000392165 452579596 /nfs/dbraw/zinc/57/95/96/452579596.db2.gz CBTMAPGKLWIZLU-HXUWFJFHSA-N 1 0 341.406 3.095 50 0 EGAARO CCOc1ccc2[nH]c3c(ncnc3NC[C@@H]3CCC[N@@H+]3CC)c2c1 ZINC000000536546 452618155 /nfs/dbraw/zinc/61/81/55/452618155.db2.gz BGJROBRBXVOHEE-ZDUSSCGKSA-N 1 0 339.443 3.406 50 0 EGAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000000819329 452637697 /nfs/dbraw/zinc/63/76/97/452637697.db2.gz DKMHMWBVBCASKE-UHFFFAOYSA-N 1 0 330.472 3.166 50 0 EGAARO CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CC[NH+](C)CC1 ZINC000002433549 452697342 /nfs/dbraw/zinc/69/73/42/452697342.db2.gz SWKNXBFOASDPPN-UHFFFAOYSA-N 1 0 349.482 3.327 50 0 EGAARO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000005163479 452841900 /nfs/dbraw/zinc/84/19/00/452841900.db2.gz CCOUWJDAGIUNQO-CYBMUJFWSA-N 1 0 343.427 3.076 50 0 EGAARO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000014967291 453549586 /nfs/dbraw/zinc/54/95/86/453549586.db2.gz OHVWRNRDKKHIDJ-SFHVURJKSA-N 1 0 326.440 3.333 50 0 EGAARO S=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000017072296 453629361 /nfs/dbraw/zinc/62/93/61/453629361.db2.gz ZRXGHNOBWHXGBS-UHFFFAOYSA-N 1 0 347.484 3.062 50 0 EGAARO CN(CC[NH+]1CCCCC1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000019227494 453655169 /nfs/dbraw/zinc/65/51/69/453655169.db2.gz HWJPYYPCFQQPOU-UHFFFAOYSA-N 1 0 334.851 3.308 50 0 EGAARO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)c1 ZINC000022892166 453701204 /nfs/dbraw/zinc/70/12/04/453701204.db2.gz PLXCWJYONICORG-LJQANCHMSA-N 1 0 333.907 3.479 50 0 EGAARO O=C(COc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027584137 453819245 /nfs/dbraw/zinc/81/92/45/453819245.db2.gz UQKDNKFSLHVMPX-INIZCTEOSA-N 1 0 330.453 3.080 50 0 EGAARO Cc1ccc([C@@H](CNc2ncc(Br)cn2)[NH+](C)C)cc1 ZINC000067369891 453926147 /nfs/dbraw/zinc/92/61/47/453926147.db2.gz GHZDEZNCHVBNCN-CQSZACIVSA-N 1 0 335.249 3.262 50 0 EGAARO C[N@@H+]1CCC[C@@H](CNC(=O)CSC23CC4CC(CC(C4)C2)C3)C1 ZINC000067712665 453959754 /nfs/dbraw/zinc/95/97/54/453959754.db2.gz YTGCHVHINIXYPV-ISOUWHGUSA-N 1 0 336.545 3.146 50 0 EGAARO Cc1ccsc1C[N@@H+]1CCN(Cc2cccs2)[C@H](CCO)C1 ZINC000043154226 454045622 /nfs/dbraw/zinc/04/56/22/454045622.db2.gz HWLXFLLOJFWAJN-OAHLLOKOSA-N 1 0 336.526 3.187 50 0 EGAARO Cc1cnc(CN2C[C@@]3(CCC[N@@H+](CCC(C)C)C3)CCC2=O)cn1 ZINC000077285052 454085933 /nfs/dbraw/zinc/08/59/33/454085933.db2.gz BABQATOKGBUYGF-FQEVSTJZSA-N 1 0 344.503 3.036 50 0 EGAARO C[NH+](C)C1(Cn2ccnc2-c2ccc3ccccc3n2)CCOCC1 ZINC000077378151 454099627 /nfs/dbraw/zinc/09/96/27/454099627.db2.gz FAFYIJHDRPENKW-UHFFFAOYSA-N 1 0 336.439 3.209 50 0 EGAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cc(C)[nH+]1 ZINC000077420194 454104640 /nfs/dbraw/zinc/10/46/40/454104640.db2.gz QUSFHNMDUIFMIC-HXUWFJFHSA-N 1 0 327.472 3.317 50 0 EGAARO O=C(C[N@@H+]1CCCC[C@H]1CCc1cccs1)NCc1ccccn1 ZINC000077423097 454105446 /nfs/dbraw/zinc/10/54/46/454105446.db2.gz RYZTXXJIZZGFFH-KRWDZBQOSA-N 1 0 343.496 3.247 50 0 EGAARO Cc1cc(N2CCC([C@H](C)[NH+]3CCOCC3)CC2)nc2ccccc12 ZINC000077470036 454109094 /nfs/dbraw/zinc/10/90/94/454109094.db2.gz ZMBLYQABHDIFDR-KRWDZBQOSA-N 1 0 339.483 3.480 50 0 EGAARO Cc1[nH]c2c(cccc2CN2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1C ZINC000077486432 454112271 /nfs/dbraw/zinc/11/22/71/454112271.db2.gz YDUKZVPVAXFTTE-OAQYLSRUSA-N 1 0 341.499 3.207 50 0 EGAARO COc1ccc(-c2nc(CN3CC[C@@H]([NH+](C)C)C3)c(C)o2)c(C)c1C ZINC000071661879 454210079 /nfs/dbraw/zinc/21/00/79/454210079.db2.gz ZUWUFHYNSVYDAA-MRXNPFEDSA-N 1 0 343.471 3.411 50 0 EGAARO Cc1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)ccc1O ZINC000071751314 454213478 /nfs/dbraw/zinc/21/34/78/454213478.db2.gz AWKJDOOUYWPOKM-SFHVURJKSA-N 1 0 330.472 3.283 50 0 EGAARO Cn1cnnc1Sc1ccc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)o1 ZINC000071756962 454214253 /nfs/dbraw/zinc/21/42/53/454214253.db2.gz HAVBYLSJOLOMCM-CUFDPUGPSA-N 1 0 330.457 3.037 50 0 EGAARO CCn1ccnc1-c1nccn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071753391 454214657 /nfs/dbraw/zinc/21/46/57/454214657.db2.gz LEPMPGYMEQLJNX-GOSISDBHSA-N 1 0 335.455 3.289 50 0 EGAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1C ZINC000046173724 454224743 /nfs/dbraw/zinc/22/47/43/454224743.db2.gz PIZUUTFIJZJKPK-GOSISDBHSA-N 1 0 340.471 3.183 50 0 EGAARO C[N@@H+]1CCC[C@H](c2nc(-c3ccncc3)nn2Cc2ccccc2)C1 ZINC000095510467 454225438 /nfs/dbraw/zinc/22/54/38/454225438.db2.gz BQAGAPUZTPAMPM-SFHVURJKSA-N 1 0 333.439 3.198 50 0 EGAARO CN(C)C(=O)C[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072143515 454272902 /nfs/dbraw/zinc/27/29/02/454272902.db2.gz HWLNHAXNLJVOHZ-AWEZNQCLSA-N 1 0 342.405 3.438 50 0 EGAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000049551022 454552118 /nfs/dbraw/zinc/55/21/18/454552118.db2.gz LQUHMOAPKGHIEW-LLVKDONJSA-N 1 0 332.275 3.282 50 0 EGAARO COc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000065363853 454553671 /nfs/dbraw/zinc/55/36/71/454553671.db2.gz HJFQLXFBXQXUQT-UHFFFAOYSA-N 1 0 340.423 3.421 50 0 EGAARO Cc1noc(C)c1C[N@H+]1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC000065386461 454557848 /nfs/dbraw/zinc/55/78/48/454557848.db2.gz XBYXSMSTRNVNFN-UHFFFAOYSA-N 1 0 331.460 3.120 50 0 EGAARO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613499 454942001 /nfs/dbraw/zinc/94/20/01/454942001.db2.gz NMAOABNYFXQXKE-QAPCUYQASA-N 1 0 325.456 3.173 50 0 EGAARO Cc1nc(CCN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cs1 ZINC000252500970 455815078 /nfs/dbraw/zinc/81/50/78/455815078.db2.gz UAMHCGZXCFBEPI-HXUWFJFHSA-N 1 0 341.524 3.169 50 0 EGAARO Cc1nccn1CC1CC[NH+](Cc2cc(-c3ccncc3)no2)CC1 ZINC000252500784 455815199 /nfs/dbraw/zinc/81/51/99/455815199.db2.gz TVINHTHERFEUHK-UHFFFAOYSA-N 1 0 337.427 3.154 50 0 EGAARO CCCO[C@H]1CCCN(C(=O)C2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000221440393 456043649 /nfs/dbraw/zinc/04/36/49/456043649.db2.gz ZBBNTWFJJATOMD-IBGZPJMESA-N 1 0 344.499 3.068 50 0 EGAARO OC1CC(c2cc(NCCC3CC[NH+](C4CCCC4)CC3)ncn2)C1 ZINC000223415615 456057429 /nfs/dbraw/zinc/05/74/29/456057429.db2.gz JMVNSJJJSCLIME-UHFFFAOYSA-N 1 0 344.503 3.172 50 0 EGAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccccc1 ZINC000263584897 456178562 /nfs/dbraw/zinc/17/85/62/456178562.db2.gz BWPXMFORXWCKOA-PKOBYXMFSA-N 1 0 345.487 3.431 50 0 biogenic EGAARO O=C(NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc(F)cc1F ZINC000299774801 456780379 /nfs/dbraw/zinc/78/03/79/456780379.db2.gz IMSLWHVMIXYBAL-OAHLLOKOSA-N 1 0 345.393 3.002 50 0 EGAARO CCC[C@@H]1C=CCN1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000426491408 457841776 /nfs/dbraw/zinc/84/17/76/457841776.db2.gz JRRBNPWRPZDKMP-LJQANCHMSA-N 1 0 341.499 3.400 50 0 EGAARO CO[C@]12CC[N@H+](Cc3nc(-c4cccs4)oc3C)[C@H]1C[C@H](O)CC2 ZINC000426551106 457854581 /nfs/dbraw/zinc/85/45/81/457854581.db2.gz LDHLSLKDQYGYCP-RPVQJOFSSA-N 1 0 348.468 3.216 50 0 EGAARO CCc1ccc(CN(C)C(=O)NCC2CC[NH+](CC(C)C)CC2)nc1 ZINC000426674352 457875243 /nfs/dbraw/zinc/87/52/43/457875243.db2.gz SVXCNGHXKDOUOA-UHFFFAOYSA-N 1 0 346.519 3.153 50 0 EGAARO C[NH+](C)[C@@H]1CCCN(C(=O)NCCCSCc2ccccc2)CC1 ZINC000584893074 459819743 /nfs/dbraw/zinc/81/97/43/459819743.db2.gz TXCAPPWPAPHYNO-GOSISDBHSA-N 1 0 349.544 3.436 50 0 EGAARO CCCCc1ccc(NC(=O)CCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000244602057 535090485 /nfs/dbraw/zinc/09/04/85/535090485.db2.gz DWWFJFFUHCDQLF-LJQANCHMSA-N 1 0 329.488 3.138 50 0 EGAARO C[C@H](CCn1cccn1)[NH2+]CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000584884785 564131460 /nfs/dbraw/zinc/13/14/60/564131460.db2.gz BAIWOOBWCQWLOR-CYBMUJFWSA-N 1 0 331.851 3.414 50 0 EGAARO c1cc(-c2cn(C[C@@H]3CCC[N@H+](Cc4ccccn4)C3)nn2)cs1 ZINC000023337238 1291234744 /nfs/dbraw/zinc/23/47/44/1291234744.db2.gz NJEVLVSLFCHTRR-OAHLLOKOSA-N 1 0 339.468 3.314 50 0 EGAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000067871899 1292176364 /nfs/dbraw/zinc/17/63/64/1292176364.db2.gz KZFVMDUOZYTTRI-OAHLLOKOSA-N 1 0 347.466 3.296 50 0 EGAARO CC(C)c1nccc(C[NH+]2CCC(OCc3cccnc3)CC2)n1 ZINC000072149080 1292275814 /nfs/dbraw/zinc/27/58/14/1292275814.db2.gz XHLSXTJJNVITOP-UHFFFAOYSA-N 1 0 326.444 3.176 50 0 EGAARO C[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256574 1298099249 /nfs/dbraw/zinc/09/92/49/1298099249.db2.gz KAEBKFIOXHOQHY-ZFWWWQNUSA-N 1 0 348.443 3.045 50 0 EGAARO O=C(N[C@H]1CC[N@H+](Cc2ccsc2)C1)c1ccc2ncsc2c1 ZINC000618256737 1298100175 /nfs/dbraw/zinc/10/01/75/1298100175.db2.gz LYLAEPUGOKACIA-AWEZNQCLSA-N 1 0 343.477 3.362 50 0 EGAARO c1ccc2c(c1)CC([N@@H+]1CCCN([C@@H]3COc4ccccc4C3)CC1)C2 ZINC000820414968 1319886874 /nfs/dbraw/zinc/88/68/74/1319886874.db2.gz MSPKZHYFOOBRTH-QFIPXVFZSA-N 1 0 348.490 3.165 50 0 EGAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3cccnc3)cc2)CC1 ZINC000823764826 1320204365 /nfs/dbraw/zinc/20/43/65/1320204365.db2.gz JEJGFGYVBHCBFT-UHFFFAOYSA-N 1 0 339.439 3.126 50 0 EGAARO Nc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)n1 ZINC000827573320 1320460801 /nfs/dbraw/zinc/46/08/01/1320460801.db2.gz BXIMCHJKJOBRMU-GOSISDBHSA-N 1 0 338.455 3.011 50 0 EGAARO O=C(NCCSCc1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000952868200 1334584244 /nfs/dbraw/zinc/58/42/44/1334584244.db2.gz DSUXFMLKKUCAOR-UHFFFAOYSA-N 1 0 332.513 3.445 50 0 EGAARO CSCC[C@@H](CO)[NH2+]C1CCN(c2ccc(C)c(Cl)c2)CC1 ZINC000952980228 1334628907 /nfs/dbraw/zinc/62/89/07/1334628907.db2.gz GCZLQJSQLGYVPP-HNNXBMFYSA-N 1 0 342.936 3.321 50 0 EGAARO c1csc(CN2CCC[C@H]([NH2+]Cc3nc4ccccc4[nH]3)C2)c1 ZINC000952960130 1334624849 /nfs/dbraw/zinc/62/48/49/1334624849.db2.gz UHYJEYOOILSQGT-AWEZNQCLSA-N 1 0 326.469 3.379 50 0 EGAARO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[N@@H+](C)C1CCCC1 ZINC000952967344 1334627260 /nfs/dbraw/zinc/62/72/60/1334627260.db2.gz YYLQQLXANVPRQM-UHFFFAOYSA-N 1 0 343.471 3.044 50 0 EGAARO O[C@@H](c1cccs1)C1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000952976258 1334628198 /nfs/dbraw/zinc/62/81/98/1334628198.db2.gz LQZYRYKJKCWINQ-QGZVFWFLSA-N 1 0 329.425 3.230 50 0 EGAARO O=C(c1cccc(-c2cccc(F)c2)c1)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000952979454 1334629230 /nfs/dbraw/zinc/62/92/30/1334629230.db2.gz YJUPTHMDCIOFNY-FGYAAKKASA-N 1 0 336.410 3.315 50 0 EGAARO CSc1cccc(CN2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000952987424 1334631438 /nfs/dbraw/zinc/63/14/38/1334631438.db2.gz KXJGSVLWUIFWBV-UHFFFAOYSA-N 1 0 330.453 3.350 50 0 EGAARO C[C@@]1(O)CCOC2(CC[NH+](Cc3ccc(F)cc3Cl)CC2)C1 ZINC001704313248 1416438954 /nfs/dbraw/zinc/43/89/54/1416438954.db2.gz HOSADSBQACORFL-MRXNPFEDSA-N 1 0 327.827 3.375 50 0 EGAARO Cc1nc[nH]c1CN(CC[NH+](C)C)C(=O)c1ccc(CC(C)C)cc1 ZINC001704330833 1416445635 /nfs/dbraw/zinc/44/56/35/1416445635.db2.gz HDHHTFODQGAHFP-UHFFFAOYSA-N 1 0 342.487 3.121 50 0 EGAARO Cc1nc(CN(CC[NH+](C)C)Cc2ccc([C@H]3CCCCO3)o2)c[nH]1 ZINC001704330079 1416445794 /nfs/dbraw/zinc/44/57/94/1416445794.db2.gz WKOVGIIFAIMTIT-GOSISDBHSA-N 1 0 346.475 3.117 50 0 EGAARO O[C@@H]1CCC[C@@]12CCC[N@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001704343265 1416449922 /nfs/dbraw/zinc/44/99/22/1416449922.db2.gz BANKRPSCBLUAHO-CVEARBPZSA-N 1 0 325.355 3.135 50 0 EGAARO CC(C)n1cc(C[N@@H+]2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)cn1 ZINC001704349629 1416452771 /nfs/dbraw/zinc/45/27/71/1416452771.db2.gz SRTFUSWZVMAKMA-PMACEKPBSA-N 1 0 345.487 3.182 50 0 EGAARO OC1(c2ccccc2)CC[NH+](C[C@@H]2CC(c3ccccc3)=NO2)CC1 ZINC001704353700 1416453620 /nfs/dbraw/zinc/45/36/20/1416453620.db2.gz ISFSIPBZKQVUOB-IBGZPJMESA-N 1 0 336.435 3.163 50 0 EGAARO CCCOc1ccccc1-c1nnc(N[C@@H](C)C[NH+]2CCCC2)o1 ZINC001772712265 1441417313 /nfs/dbraw/zinc/41/73/13/1441417313.db2.gz QKUOAPNRCHBMRB-AWEZNQCLSA-N 1 0 330.432 3.422 50 0 EGAARO Cc1nc2ccccc2nc1C[NH+]1CCC(Cc2ccc(=O)[nH]c2)CC1 ZINC001772807125 1441417423 /nfs/dbraw/zinc/41/74/23/1441417423.db2.gz JHAZBDVHNIASPR-UHFFFAOYSA-N 1 0 348.450 3.494 50 0 EGAARO C[C@@H](CCc1c[nH]c2ccccc12)[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC001772810078 1441417615 /nfs/dbraw/zinc/41/76/15/1441417615.db2.gz HGQNPNFBIQUIQM-INIZCTEOSA-N 1 0 339.483 3.433 50 0 EGAARO COc1ccc(C(=O)N2CCC([NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000004745676 210266589 /nfs/dbraw/zinc/26/65/89/210266589.db2.gz WIZIFABBTIAFEY-HZPDHXFCSA-N 1 0 330.472 3.278 50 0 EGAARO COc1cccc(COc2cccc(-c3nc4c([nH]3)C[NH2+]CC4)c2)c1 ZINC000097619344 219042027 /nfs/dbraw/zinc/04/20/27/219042027.db2.gz VIBKKJWJRILWBB-UHFFFAOYSA-N 1 0 335.407 3.310 50 0 EGAARO CC[C@@H](Nc1cccc(OC)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000055090374 214272036 /nfs/dbraw/zinc/27/20/36/214272036.db2.gz WDQDGBQUKHJVNR-QGZVFWFLSA-N 1 0 347.503 3.311 50 0 EGAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC000097756304 219053587 /nfs/dbraw/zinc/05/35/87/219053587.db2.gz SKPMQRFBQHDQAL-UXHICEINSA-N 1 0 334.463 3.419 50 0 EGAARO CCc1nccn1CCC[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055134087 214277580 /nfs/dbraw/zinc/27/75/80/214277580.db2.gz FOXJPLGSIPQZNW-UHFFFAOYSA-N 1 0 335.455 3.391 50 0 EGAARO CC(C)=CCC/C(C)=C/C[NH+]1CCC(n2cc(CCO)nn2)CC1 ZINC000055343768 214310168 /nfs/dbraw/zinc/31/01/68/214310168.db2.gz BOAJMLQNIUVWRT-REZTVBANSA-N 1 0 332.492 3.143 50 0 EGAARO CCN(CCOc1ccc(OC)cc1)C(=O)CC[C@H]1CCC[N@H+](C)C1 ZINC000055403707 214319797 /nfs/dbraw/zinc/31/97/97/214319797.db2.gz RNNYADYWCLOSIU-QGZVFWFLSA-N 1 0 348.487 3.045 50 0 EGAARO CC(=O)Nc1ccc(CN(CC[NH+](C)C)Cc2ccsc2)cc1 ZINC000055404281 214320257 /nfs/dbraw/zinc/32/02/57/214320257.db2.gz PVOJNILXSUGAGV-UHFFFAOYSA-N 1 0 331.485 3.270 50 0 EGAARO CCOc1ccc2nc(C[N@H+](C)[C@@H](C)Cc3cnccn3)ccc2c1 ZINC000097784982 219056619 /nfs/dbraw/zinc/05/66/19/219056619.db2.gz ULWZNJXUGZPWRX-HNNXBMFYSA-N 1 0 336.439 3.487 50 0 EGAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000097785019 219056951 /nfs/dbraw/zinc/05/69/51/219056951.db2.gz MDOVRMMNLOLCAF-LBPRGKRZSA-N 1 0 325.334 3.438 50 0 EGAARO CN1CCN([C@@H]2CC[N@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000097797543 219057602 /nfs/dbraw/zinc/05/76/02/219057602.db2.gz LGVYQQFDAHBXSO-JOCHJYFZSA-N 1 0 349.522 3.140 50 0 EGAARO COc1cc2c(cc1C[NH+]1CCC(c3noc(C)n3)CC1)CCC2 ZINC000097797598 219057904 /nfs/dbraw/zinc/05/79/04/219057904.db2.gz QPFSGLZDISBQNO-UHFFFAOYSA-N 1 0 327.428 3.255 50 0 EGAARO COc1cccc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)c1 ZINC000004678695 210244097 /nfs/dbraw/zinc/24/40/97/210244097.db2.gz ISQORNHHTZIOKA-UHFFFAOYSA-N 1 0 337.379 3.437 50 0 EGAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000004279501 210159330 /nfs/dbraw/zinc/15/93/30/210159330.db2.gz PXZKDSWGKAGWIE-OCCSQVGLSA-N 1 0 328.250 3.063 50 0 EGAARO CC(C)CC[C@@H](CC(=O)NCC[NH+](C)C)[C@H]1CCOC(C)(C)C1 ZINC000004084481 210116120 /nfs/dbraw/zinc/11/61/20/210116120.db2.gz LHZAEUFCMPVBIP-IRXDYDNUSA-N 1 0 326.525 3.312 50 0 biogenic EGAARO Cc1cc(NC(=O)C[NH+]2CCC(C)CC2)ccc1Br ZINC000003538691 210050210 /nfs/dbraw/zinc/05/02/10/210050210.db2.gz AYIYTCNDFCSDEB-UHFFFAOYSA-N 1 0 325.250 3.428 50 0 EGAARO COCCC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(C)cccc3C)C2)C1 ZINC000067459622 215149241 /nfs/dbraw/zinc/14/92/41/215149241.db2.gz QOXMMFWGOJPRFW-OAQYLSRUSA-N 1 0 344.499 3.154 50 0 EGAARO O=C(c1cccnc1)[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067648850 215173549 /nfs/dbraw/zinc/17/35/49/215173549.db2.gz KNYIYDKFPKALQL-QGZVFWFLSA-N 1 0 347.418 3.018 50 0 EGAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)c3cccc(N)c3)C2)cc1C ZINC000067654966 215175593 /nfs/dbraw/zinc/17/55/93/215175593.db2.gz CJDLUUOUGZXQSF-GOSISDBHSA-N 1 0 337.467 3.138 50 0 EGAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1nccnc1OC ZINC000067758292 215206750 /nfs/dbraw/zinc/20/67/50/215206750.db2.gz MSWPWIDEOOICBO-UHFFFAOYSA-N 1 0 329.400 3.272 50 0 EGAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C2 ZINC000067820233 215221883 /nfs/dbraw/zinc/22/18/83/215221883.db2.gz IHHPUNFQOUDPFJ-WDEREUQCSA-N 1 0 329.231 3.089 50 0 EGAARO COc1ccc(-c2nc(CN3CC[NH2+]C[C@@H]3C)c(C)o2)c(C)c1C ZINC000067847137 215228878 /nfs/dbraw/zinc/22/88/78/215228878.db2.gz RAJCYFLMJIWLEE-LBPRGKRZSA-N 1 0 329.444 3.069 50 0 EGAARO COc1cc(C)c(-c2nc(C[N@@H+]3CCC[C@H](CO)C3)c(C)o2)cc1C ZINC000067833761 215225117 /nfs/dbraw/zinc/22/51/17/215225117.db2.gz UTHOUWDPZYVBSC-INIZCTEOSA-N 1 0 344.455 3.480 50 0 EGAARO COC[C@@H]1CCCC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067895500 215244126 /nfs/dbraw/zinc/24/41/26/215244126.db2.gz OHKZVKROTKVKJC-SFHVURJKSA-N 1 0 336.439 3.397 50 0 EGAARO Cc1ccccc1-c1noc(CNC2CC[NH+](CC(C)C)CC2)n1 ZINC000067983249 215268534 /nfs/dbraw/zinc/26/85/34/215268534.db2.gz LRBLCFFEXSLVFP-UHFFFAOYSA-N 1 0 328.460 3.255 50 0 EGAARO CCOc1ccc(CN2CC[N@H+](CC(C)(C)C)C[C@H]2CCO)cc1 ZINC000104521209 219392934 /nfs/dbraw/zinc/39/29/34/219392934.db2.gz UOFRSORMUOCZPZ-GOSISDBHSA-N 1 0 334.504 3.000 50 0 EGAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000039478637 213237251 /nfs/dbraw/zinc/23/72/51/213237251.db2.gz FSXAHIIUDBPKFR-FQEVSTJZSA-N 1 0 339.483 3.070 50 0 EGAARO CCNc1cc(C)[nH+]c(NCCNC(=O)Nc2ccc(Cl)cc2)n1 ZINC000072117640 216012943 /nfs/dbraw/zinc/01/29/43/216012943.db2.gz GGZQIZACZLJXKT-UHFFFAOYSA-N 1 0 348.838 3.104 50 0 EGAARO CC1CC[NH+](Cc2ccc(C(=O)N3CC(c4cccnc4)C3)o2)CC1 ZINC000072122311 216014501 /nfs/dbraw/zinc/01/45/01/216014501.db2.gz FTZIHSBVMLZKSY-UHFFFAOYSA-N 1 0 339.439 3.146 50 0 EGAARO Cc1nc(C2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)cc(=O)[nH]1 ZINC000072140135 216026635 /nfs/dbraw/zinc/02/66/35/216026635.db2.gz NQYZUAKXGBUCLI-UHFFFAOYSA-N 1 0 349.438 3.056 50 0 EGAARO CCNc1ncc(C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000072131821 216020364 /nfs/dbraw/zinc/02/03/64/216020364.db2.gz PFNWULZZCRCFSJ-OAHLLOKOSA-N 1 0 344.434 3.339 50 0 EGAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072150045 216037731 /nfs/dbraw/zinc/03/77/31/216037731.db2.gz QDUNHZDMQGAKKM-OAQYLSRUSA-N 1 0 349.482 3.349 50 0 EGAARO O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000072150278 216037950 /nfs/dbraw/zinc/03/79/50/216037950.db2.gz UEWWZRYZRARGPG-HNNXBMFYSA-N 1 0 345.446 3.443 50 0 EGAARO c1cc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)n(-c2ccccc2)n1 ZINC000072162804 216052244 /nfs/dbraw/zinc/05/22/44/216052244.db2.gz NEBIPGUSQWXWAO-OAQYLSRUSA-N 1 0 348.450 3.449 50 0 EGAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(c2noc(C(C)C)n2)C1 ZINC000072166793 216057550 /nfs/dbraw/zinc/05/75/50/216057550.db2.gz XPVDKDWLFITOFX-INIZCTEOSA-N 1 0 329.448 3.079 50 0 EGAARO CCOC(=O)c1c(C)nc2n(CC[NH+](CC)CC)c3ccccc3n21 ZINC000000245159 209502464 /nfs/dbraw/zinc/50/24/64/209502464.db2.gz VDBVEQRJHAHJCG-UHFFFAOYSA-N 1 0 342.443 3.116 50 0 EGAARO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072429922 216221947 /nfs/dbraw/zinc/22/19/47/216221947.db2.gz AIDHAGPBYMQYHW-LJQANCHMSA-N 1 0 339.483 3.451 50 0 EGAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCCC1)c1ccc2c(c1)CCCO2 ZINC000072431447 216224204 /nfs/dbraw/zinc/22/42/04/216224204.db2.gz LEZJPGZUFMSJPA-MSOLQXFVSA-N 1 0 328.456 3.195 50 0 EGAARO CCOc1cc(C)c(CN2CCC[C@@](O)(C[NH+](C)C)C2)cc1C(C)C ZINC000072436278 216231543 /nfs/dbraw/zinc/23/15/43/216231543.db2.gz IHOXWBYPHWEJRV-OAQYLSRUSA-N 1 0 348.531 3.406 50 0 EGAARO COCCCN(Cc1coc(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000072457311 216242927 /nfs/dbraw/zinc/24/29/27/216242927.db2.gz JCDUQOHNUUGUHG-UHFFFAOYSA-N 1 0 343.471 3.274 50 0 EGAARO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072473646 216250234 /nfs/dbraw/zinc/25/02/34/216250234.db2.gz DKKNWAPLWCXQJF-GOSISDBHSA-N 1 0 345.535 3.171 50 0 EGAARO O=C(CCC[NH+]1CCCCC1)NC1CCN(c2ccc(F)cc2)CC1 ZINC000073033740 216342284 /nfs/dbraw/zinc/34/22/84/216342284.db2.gz XIUAXUBPJZBPPF-UHFFFAOYSA-N 1 0 347.478 3.177 50 0 EGAARO CCn1ncc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)c1C ZINC000023373730 212372132 /nfs/dbraw/zinc/37/21/32/212372132.db2.gz OLRHXVDLUDJEHY-GOSISDBHSA-N 1 0 330.451 3.105 50 0 EGAARO C[N@H+](Cc1nc(-c2cnccn2)no1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000023337693 212368510 /nfs/dbraw/zinc/36/85/10/212368510.db2.gz JKSVHABZUNAUEQ-HXUWFJFHSA-N 1 0 349.438 3.326 50 0 EGAARO COc1ccc(-c2ncc(C[N@H+](C)CCc3ccccn3)cn2)cc1 ZINC000216456122 241195431 /nfs/dbraw/zinc/19/54/31/241195431.db2.gz RMCNXAFINBSHIL-UHFFFAOYSA-N 1 0 334.423 3.222 50 0 EGAARO Cc1ccc2nc(SCCC(=O)N[C@H]3CC[N@@H+](C)C3)cc(C)c2c1 ZINC000219474480 241386942 /nfs/dbraw/zinc/38/69/42/241386942.db2.gz KXUJTHSDCJWHCH-HNNXBMFYSA-N 1 0 343.496 3.154 50 0 EGAARO Cc1nn2c(nc(C)cc2NCC[NH+](C)C)c1-c1ccc(F)cc1 ZINC000021798791 212252006 /nfs/dbraw/zinc/25/20/06/212252006.db2.gz DSDSZMAJNXYNME-UHFFFAOYSA-N 1 0 327.407 3.126 50 0 EGAARO C[C@@H]1CC(C)(C)N(C)c2ccc(C(=S)N3CCN(C)CC3)cc21 ZINC000226854926 242118367 /nfs/dbraw/zinc/11/83/67/242118367.db2.gz ALVKBFQJSMMOTI-CQSZACIVSA-N 1 0 331.529 3.332 50 0 EGAARO CCC1=NO[C@H](C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)C1 ZINC000244708083 243062576 /nfs/dbraw/zinc/06/25/76/243062576.db2.gz KNCUMQGAMDEMOS-HNNXBMFYSA-N 1 0 344.484 3.363 50 0 EGAARO Cc1cccc(CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)n1 ZINC000244673722 243052514 /nfs/dbraw/zinc/05/25/14/243052514.db2.gz HUKFLYWIEFXGMA-UHFFFAOYSA-N 1 0 341.455 3.187 50 0 EGAARO CC[NH+](CC)[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000020778638 212172145 /nfs/dbraw/zinc/17/21/45/212172145.db2.gz WJLBJNQIWMPKHJ-OAHLLOKOSA-N 1 0 334.851 3.306 50 0 EGAARO CC(C)[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000020468926 212135237 /nfs/dbraw/zinc/13/52/37/212135237.db2.gz ZOEVAKOJMWSCDE-UHFFFAOYSA-N 1 0 338.879 3.486 50 0 EGAARO Cc1ncc2c(c1-c1noc(CCCc3cccs3)n1)CC[NH2+]C2 ZINC000019940136 212088746 /nfs/dbraw/zinc/08/87/46/212088746.db2.gz WHLPUQRMQYPKBU-UHFFFAOYSA-N 1 0 340.452 3.323 50 0 EGAARO COc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1OC ZINC000019842237 212074939 /nfs/dbraw/zinc/07/49/39/212074939.db2.gz NXVJTMQQTWLWGI-KRWDZBQOSA-N 1 0 330.472 3.178 50 0 EGAARO COc1ccc(OC)c(CN2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000019781684 212065778 /nfs/dbraw/zinc/06/57/78/212065778.db2.gz JKMRZIHRKRDISS-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 biogenic EGAARO COc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1OC ZINC000019359670 212021168 /nfs/dbraw/zinc/02/11/68/212021168.db2.gz GMYDXKKARVEPSV-AEFFLSMTSA-N 1 0 332.488 3.400 50 0 EGAARO Cc1ncc2c(c1-c1noc([C@@H]3CCc4ccccc4C3)n1)CC[NH2+]C2 ZINC000019334255 212016223 /nfs/dbraw/zinc/01/62/23/212016223.db2.gz LUVBLYOURACQOW-MRXNPFEDSA-N 1 0 346.434 3.358 50 0 EGAARO CN(Cc1ccon1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000019300835 212014410 /nfs/dbraw/zinc/01/44/10/212014410.db2.gz HUHINVUQKXLLCX-INIZCTEOSA-N 1 0 331.435 3.200 50 0 EGAARO COc1cccc(CN2CC[NH+](Cc3ccccc3C)CC2)c1OC ZINC000019237230 212007549 /nfs/dbraw/zinc/00/75/49/212007549.db2.gz KRWMEXIBTCSJQK-UHFFFAOYSA-N 1 0 340.467 3.330 50 0 biogenic EGAARO CC(=O)c1ccc(C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)s1 ZINC000082096565 217463191 /nfs/dbraw/zinc/46/31/91/217463191.db2.gz TYGOABDEZSBZSH-UHFFFAOYSA-N 1 0 343.452 3.007 50 0 EGAARO CCC[C@@H]1CN(C(=O)c2[nH]c3c(cccc3F)c2C)C[C@H]1[NH+](C)C ZINC000082161024 217480979 /nfs/dbraw/zinc/48/09/79/217480979.db2.gz USUKJDQSKCLKOC-CZUORRHYSA-N 1 0 331.435 3.418 50 0 EGAARO CCC[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@H]1[NH+](C)C ZINC000082158488 217481168 /nfs/dbraw/zinc/48/11/68/217481168.db2.gz PXPODYXUUOTGNG-RHSMWYFYSA-N 1 0 329.419 3.176 50 0 EGAARO COc1cccc(-c2cc(CC3(O)CC[NH+](CC(C)C)CC3)on2)c1 ZINC000012455034 211387485 /nfs/dbraw/zinc/38/74/85/211387485.db2.gz GOEDXMWNCNTMFR-UHFFFAOYSA-N 1 0 344.455 3.376 50 0 EGAARO COCCN1CC[N@H+](Cc2ccc(-c3ccccc3)cc2)CCC1=O ZINC000012097107 211290716 /nfs/dbraw/zinc/29/07/16/211290716.db2.gz PWHFHFCEUJTFIZ-UHFFFAOYSA-N 1 0 338.451 3.034 50 0 EGAARO O=C(C[C@@H]1CCc2ccccc21)N(Cc1cccnc1)C1CC[NH2+]CC1 ZINC000091452001 218008285 /nfs/dbraw/zinc/00/82/85/218008285.db2.gz JXGYWQHBECFMJJ-IBGZPJMESA-N 1 0 349.478 3.282 50 0 EGAARO O=C1CCC2(CC[NH2+]CC2)CN1Cc1cc(C(F)(F)F)ccc1F ZINC000091468917 218010853 /nfs/dbraw/zinc/01/08/53/218010853.db2.gz ATERMDOJTGLOIZ-UHFFFAOYSA-N 1 0 344.352 3.337 50 0 EGAARO Cc1nnsc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000091593976 218028708 /nfs/dbraw/zinc/02/87/08/218028708.db2.gz LPANITKZPWTJST-DOTOQJQBSA-N 1 0 346.475 3.082 50 0 EGAARO C[C@H](C1CCN(Cc2nc(-c3ccccc3)no2)CC1)[NH+]1CCCC1 ZINC000011840178 211254454 /nfs/dbraw/zinc/25/44/54/211254454.db2.gz VSPGPDXWEFPFKD-MRXNPFEDSA-N 1 0 340.471 3.433 50 0 EGAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)C2(C)CC2)cc1 ZINC000011720774 211240553 /nfs/dbraw/zinc/24/05/53/211240553.db2.gz LDDDVRQDVOZLMK-UHFFFAOYSA-N 1 0 344.499 3.208 50 0 EGAARO O=C1C[C@@H]([NH2+]CCCC(F)(F)F)CN1CCc1cccc(Cl)c1 ZINC000011814923 211249426 /nfs/dbraw/zinc/24/94/26/211249426.db2.gz FNAOBENAOZSXBJ-CQSZACIVSA-N 1 0 348.796 3.416 50 0 EGAARO Cc1c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cnn1C ZINC000011754243 211242866 /nfs/dbraw/zinc/24/28/66/211242866.db2.gz DBDDNZIWEPKSAH-HNNXBMFYSA-N 1 0 331.847 3.477 50 0 EGAARO C[C@H](CCCC(C)(C)O)[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000011663638 211229256 /nfs/dbraw/zinc/22/92/56/211229256.db2.gz HDTWVKAEECRVTG-CYBMUJFWSA-N 1 0 345.443 3.225 50 0 EGAARO COCCn1ccnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000091860265 218079790 /nfs/dbraw/zinc/07/97/90/218079790.db2.gz BBBGUZWNDGMFDD-LJQANCHMSA-N 1 0 327.472 3.342 50 0 EGAARO CCC[C@]1(CO)CCCN(c2ccc(C[NH+]3CCCCC3)cn2)C1 ZINC000092004180 218103479 /nfs/dbraw/zinc/10/34/79/218103479.db2.gz WSIPDRZAWWTEQO-FQEVSTJZSA-N 1 0 331.504 3.447 50 0 EGAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](CCC(C)C)CC1 ZINC000091951547 218093295 /nfs/dbraw/zinc/09/32/95/218093295.db2.gz ZCZILYSEDIZJEV-UHFFFAOYSA-N 1 0 344.507 3.077 50 0 EGAARO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000092588721 218152245 /nfs/dbraw/zinc/15/22/45/218152245.db2.gz HUMPNELPZMVVIA-IBGZPJMESA-N 1 0 338.451 3.496 50 0 EGAARO COC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010330758 211163746 /nfs/dbraw/zinc/16/37/46/211163746.db2.gz CNRVBAGJGJFBCW-UHFFFAOYSA-N 1 0 338.407 3.321 50 0 EGAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1ccc2ccccc2c1 ZINC000010111257 211148434 /nfs/dbraw/zinc/14/84/34/211148434.db2.gz VODYPLAMMCFBNL-UHFFFAOYSA-N 1 0 346.496 3.384 50 0 EGAARO Brc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000095080927 218274470 /nfs/dbraw/zinc/27/44/70/218274470.db2.gz WOYRWTDKOVKIGQ-UHFFFAOYSA-N 1 0 332.245 3.166 50 0 EGAARO COc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cc1OC ZINC000005067868 210381394 /nfs/dbraw/zinc/38/13/94/210381394.db2.gz XQRUAQPJPDZNAL-DOTOQJQBSA-N 1 0 346.471 3.040 50 0 EGAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)CCC[C@H]2CCCO2)cc1 ZINC000097346777 219014049 /nfs/dbraw/zinc/01/40/49/219014049.db2.gz NQTMBCZSZOZYQJ-SFHVURJKSA-N 1 0 329.444 3.476 50 0 EGAARO CC(C)c1cc(Br)ccc1OCCC[NH2+]C[C@@H](C)O ZINC000004832955 210292168 /nfs/dbraw/zinc/29/21/68/210292168.db2.gz YBTAEROJPHDXAC-GFCCVEGCSA-N 1 0 330.266 3.312 50 0 EGAARO O=C([C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCCCC1 ZINC000004746248 210268999 /nfs/dbraw/zinc/26/89/99/210268999.db2.gz SKOTZEXQVSGLMG-QGZVFWFLSA-N 1 0 344.455 3.030 50 0 EGAARO Cc1ccc(-c2cccc(C[N@@H+](C)CC3(CO)CCOCC3)c2)o1 ZINC000097594978 219036998 /nfs/dbraw/zinc/03/69/98/219036998.db2.gz ZNWJZXNWAWMZET-UHFFFAOYSA-N 1 0 329.440 3.476 50 0 EGAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000426689301 257958826 /nfs/dbraw/zinc/95/88/26/257958826.db2.gz RMXCRMIBFGZFCY-INIZCTEOSA-N 1 0 348.805 3.404 50 0 EGAARO CCCC[N@@H+]1CCn2nc(CNc3cc(C)nc(C(C)C)n3)cc2C1 ZINC000299772543 258084562 /nfs/dbraw/zinc/08/45/62/258084562.db2.gz AZLQCLCEXKRXBM-UHFFFAOYSA-N 1 0 342.491 3.333 50 0 EGAARO Cc1ccc(O)cc1C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000299776186 258086578 /nfs/dbraw/zinc/08/65/78/258086578.db2.gz LHYNUHSMNJDLHX-UHFFFAOYSA-N 1 0 338.451 3.310 50 0 EGAARO CC[C@H](CO)[N@H+](Cc1cccnc1)Cc1cccc(-n2cccn2)c1 ZINC000055061152 258061035 /nfs/dbraw/zinc/06/10/35/258061035.db2.gz XZWIGPKYVXGOAY-LJQANCHMSA-N 1 0 336.439 3.040 50 0 EGAARO Cn1cnc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1 ZINC000299767300 258082225 /nfs/dbraw/zinc/08/22/25/258082225.db2.gz JONSENSQIHADLD-UAGQMJEPSA-N 1 0 335.411 3.163 50 0 EGAARO COc1c2c(cc3c1[C@H](C[C@H](O)c1ccccc1)[N@H+](C)CC3)OCO2 ZINC000000486096 286188680 /nfs/dbraw/zinc/18/86/80/286188680.db2.gz VUJZEAKYGMRHEZ-HOTGVXAUSA-N 1 0 341.407 3.077 50 0 biogenic EGAARO COc1ccccc1N1C[C@@H]2C[C@@H](c3ccco3)[N@@H+]3CCC[C@@]23C1=O ZINC000012438677 274161427 /nfs/dbraw/zinc/16/14/27/274161427.db2.gz PFHYHNMNKSHJTL-UVFQYZLESA-N 1 0 338.407 3.231 50 0 EGAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C[C@@H]2CCCO2)c2c1cccc2Cl ZINC000028296739 274660829 /nfs/dbraw/zinc/66/08/29/274660829.db2.gz KWEHSTSZMZGFJG-GJZGRUSLSA-N 1 0 336.863 3.041 50 0 EGAARO CC1(C)CC(NC(=O)c2ccc(Br)cc2)CC(C)(C)[NH2+]1 ZINC000003096001 275808926 /nfs/dbraw/zinc/80/89/26/275808926.db2.gz PQVNDHCLBIRTNW-UHFFFAOYSA-N 1 0 339.277 3.488 50 0 EGAARO CCC[C@@H](C)C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000091964964 276021889 /nfs/dbraw/zinc/02/18/89/276021889.db2.gz RKOCZCCMGJVJBP-QGZVFWFLSA-N 1 0 346.519 3.093 50 0 EGAARO C[N@@H+]1CCCC[C@@H]1C(=O)N(CCc1ccccc1)Cc1ccco1 ZINC000097475562 277042867 /nfs/dbraw/zinc/04/28/67/277042867.db2.gz RWHNPTAHUHBYRN-LJQANCHMSA-N 1 0 326.440 3.335 50 0 EGAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1cccc(O)c1 ZINC000008741234 277310840 /nfs/dbraw/zinc/31/08/40/277310840.db2.gz RNFORCCVXGTWQA-QGZVFWFLSA-N 1 0 335.363 3.182 50 0 EGAARO Cc1sc2nc(CC[NH3+])nc(N(C)CCC[C@@H]3CCCO3)c2c1C ZINC000065456389 294081763 /nfs/dbraw/zinc/08/17/63/294081763.db2.gz KVONKUBGPNZMSA-CQSZACIVSA-N 1 0 348.516 3.205 50 0 EGAARO COc1ccc(CN2CCC([N@@H+]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC000000207750 452537867 /nfs/dbraw/zinc/53/78/67/452537867.db2.gz WPZPVCJGLDFIFY-INIZCTEOSA-N 1 0 332.488 3.400 50 0 EGAARO COc1cc(OC)cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000000239849 452542628 /nfs/dbraw/zinc/54/26/28/452542628.db2.gz YLTGSPQHHXLLCQ-DOTOQJQBSA-N 1 0 346.471 3.040 50 0 EGAARO CC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000000269650 452552349 /nfs/dbraw/zinc/55/23/49/452552349.db2.gz BYIGBTSEDRHFEO-ICSRJNTNSA-N 1 0 345.389 3.377 50 0 EGAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+]2CCCCC2)C(=O)CCC1 ZINC000000572135 452626386 /nfs/dbraw/zinc/62/63/86/452626386.db2.gz UNJIHQZEAXZTTC-MRXNPFEDSA-N 1 0 340.467 3.316 50 0 EGAARO CCCCOc1cc(C(=O)NCC[NH+](CC)CC)c2ccccc2n1 ZINC000001530939 452667049 /nfs/dbraw/zinc/66/70/49/452667049.db2.gz PUFQVTATUTYEAL-UHFFFAOYSA-N 1 0 343.471 3.485 50 0 fda EGAARO OCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000002846218 452730114 /nfs/dbraw/zinc/73/01/14/452730114.db2.gz ZPZPYTMGKBNQPF-UHFFFAOYSA-N 1 0 336.229 3.110 50 0 EGAARO CCOc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000009340676 453251305 /nfs/dbraw/zinc/25/13/05/453251305.db2.gz JSEFPADDBUQKMT-QGZVFWFLSA-N 1 0 328.412 3.245 50 0 EGAARO CCc1ccc(C[NH+]2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)o1 ZINC000012581616 453378463 /nfs/dbraw/zinc/37/84/63/453378463.db2.gz BJKHNIJBVQLKDE-SFHVURJKSA-N 1 0 348.487 3.129 50 0 EGAARO CSC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000012710233 453391873 /nfs/dbraw/zinc/39/18/73/453391873.db2.gz GMDSBMSRXJSGPW-AWEZNQCLSA-N 1 0 338.521 3.256 50 0 EGAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1c(F)cccc1F ZINC000012713513 453393450 /nfs/dbraw/zinc/39/34/50/453393450.db2.gz AZGHXJJYTIWWOE-MRXNPFEDSA-N 1 0 344.405 3.402 50 0 EGAARO CSC[C@@H](C)[N@@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012750591 453399146 /nfs/dbraw/zinc/39/91/46/453399146.db2.gz GAINHCCEARAJRU-LLVKDONJSA-N 1 0 332.425 3.180 50 0 EGAARO COc1ccc(OC)c(NC(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000016622124 453616111 /nfs/dbraw/zinc/61/61/11/453616111.db2.gz HZGRWIJCHDADGU-CQSZACIVSA-N 1 0 347.459 3.090 50 0 EGAARO CCOc1cc(C[NH2+]CCc2ccc3c(c2)OCO3)ccc1OC ZINC000016667446 453619502 /nfs/dbraw/zinc/61/95/02/453619502.db2.gz DJVSALPJVQWOOA-UHFFFAOYSA-N 1 0 329.396 3.155 50 0 EGAARO CC1(C)C[NH2+]C2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000019327201 453656091 /nfs/dbraw/zinc/65/60/91/453656091.db2.gz SULIKMMARSUTLI-UHFFFAOYSA-N 1 0 348.800 3.022 50 0 EGAARO COc1cc(CN2CC[NH+](C3CCC(C)CC3)CC2)cc(OC)c1 ZINC000019900062 453660715 /nfs/dbraw/zinc/66/07/15/453660715.db2.gz PXLDDMSXEWOPEO-UHFFFAOYSA-N 1 0 332.488 3.400 50 0 EGAARO O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170428 453672683 /nfs/dbraw/zinc/67/26/83/453672683.db2.gz AUWCZIZCVUOYGK-GOSISDBHSA-N 1 0 348.462 3.462 50 0 EGAARO COc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027584299 453819076 /nfs/dbraw/zinc/81/90/76/453819076.db2.gz JGIUBDMOOZSCEA-INIZCTEOSA-N 1 0 330.453 3.324 50 0 EGAARO COc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027584297 453819166 /nfs/dbraw/zinc/81/91/66/453819166.db2.gz JGIUBDMOOZSCEA-MRXNPFEDSA-N 1 0 330.453 3.324 50 0 EGAARO Cc1ccccc1NC(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000028579966 453823912 /nfs/dbraw/zinc/82/39/12/453823912.db2.gz WIKQIAMEZJXVIG-UHFFFAOYSA-N 1 0 344.503 3.067 50 0 EGAARO c1cc2c(ncnc2NC2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000032500677 453875794 /nfs/dbraw/zinc/87/57/94/453875794.db2.gz YIJGSJKEBXBTJF-UHFFFAOYSA-N 1 0 325.441 3.163 50 0 EGAARO Cn1cnnc1CC1CC[NH+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000082092381 453923206 /nfs/dbraw/zinc/92/32/06/453923206.db2.gz WCPQWYQBQKHRTP-MRXNPFEDSA-N 1 0 346.500 3.183 50 0 EGAARO CCc1cnc(C)nc1NCc1cc2n(n1)CCC[N@H+](CC(C)C)C2 ZINC000082108891 453924686 /nfs/dbraw/zinc/92/46/86/453924686.db2.gz WPEFFMNCPDYICU-UHFFFAOYSA-N 1 0 342.491 3.018 50 0 EGAARO NC(=O)c1cccc2c1cccc2-c1cc(F)cc2c1O[C@@H](C[NH3+])C2 ZINC000067690329 453957715 /nfs/dbraw/zinc/95/77/15/453957715.db2.gz UQDDLOSWYWGBSH-CYBMUJFWSA-N 1 0 336.366 3.007 50 0 EGAARO O=C(c1ccoc1)N1CCC[N@@H+](CCCOc2ccc(F)cc2)CC1 ZINC000055060045 453958611 /nfs/dbraw/zinc/95/86/11/453958611.db2.gz JAJWVZPKEKYBRF-UHFFFAOYSA-N 1 0 346.402 3.036 50 0 EGAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000077286862 454086062 /nfs/dbraw/zinc/08/60/62/454086062.db2.gz NLRRKQBKPKCXDB-KRWDZBQOSA-N 1 0 342.405 3.128 50 0 EGAARO CC(C)CCN1C[C@]2(CCC[N@H+](Cc3ccccn3)C2)CCC1=O ZINC000077320429 454090793 /nfs/dbraw/zinc/09/07/93/454090793.db2.gz HIGLOFKYOPVLRS-HXUWFJFHSA-N 1 0 329.488 3.332 50 0 EGAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3ccc(N(C)C)nc3)C2)c1 ZINC000077439594 454105959 /nfs/dbraw/zinc/10/59/59/454105959.db2.gz KIOKSQGQKLQFMJ-MRXNPFEDSA-N 1 0 341.455 3.154 50 0 EGAARO COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2CCn2ccnc2)c1C ZINC000077440347 454106387 /nfs/dbraw/zinc/10/63/87/454106387.db2.gz UKLMPUCBRCLRPL-QGZVFWFLSA-N 1 0 328.460 3.348 50 0 EGAARO Brc1cccc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000069465650 454108949 /nfs/dbraw/zinc/10/89/49/454108949.db2.gz LMLGBVOIWFMIDK-UHFFFAOYSA-N 1 0 332.245 3.166 50 0 EGAARO CCCC[C@@H]1C(=O)N(C)CCN1Cc1cc(C[NH+]2CCCC2)cs1 ZINC000077484984 454111125 /nfs/dbraw/zinc/11/11/25/454111125.db2.gz LDVIAMUARCTPPK-GOSISDBHSA-N 1 0 349.544 3.177 50 0 EGAARO Cc1ncsc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077489330 454112434 /nfs/dbraw/zinc/11/24/34/454112434.db2.gz MUZHELSKPDOPBW-UHFFFAOYSA-N 1 0 343.496 3.232 50 0 EGAARO Cc1nc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c(C)o1 ZINC000077522082 454117295 /nfs/dbraw/zinc/11/72/95/454117295.db2.gz GKAUBMFNZHQCET-UHFFFAOYSA-N 1 0 341.455 3.072 50 0 EGAARO COc1ccc2c(c1)CC[N@@H+](Cc1ccc3nsnc3c1)CC2 ZINC000095373162 454199426 /nfs/dbraw/zinc/19/94/26/454199426.db2.gz DTKLTYNRTHPVNL-UHFFFAOYSA-N 1 0 325.437 3.301 50 0 EGAARO COc1cc2ccccc2cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000071376428 454205643 /nfs/dbraw/zinc/20/56/43/454205643.db2.gz CEJCEBUNTCOFBM-UHFFFAOYSA-N 1 0 326.440 3.310 50 0 EGAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+]C1CCCC1 ZINC000071746127 454211963 /nfs/dbraw/zinc/21/19/63/454211963.db2.gz JSPVAQMQXYIKEP-UHFFFAOYSA-N 1 0 329.444 3.021 50 0 EGAARO COCC[NH+]1CCC(c2nccn2Cc2cc(F)ccc2C)CC1 ZINC000071730274 454212137 /nfs/dbraw/zinc/21/21/37/454212137.db2.gz MULZAASUDFSXBW-UHFFFAOYSA-N 1 0 331.435 3.205 50 0 EGAARO Cc1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)ccc1O ZINC000071751315 454212708 /nfs/dbraw/zinc/21/27/08/454212708.db2.gz AWKJDOOUYWPOKM-GOSISDBHSA-N 1 0 330.472 3.283 50 0 EGAARO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCC[N@@H+]1CC1CC1 ZINC000071756940 454214201 /nfs/dbraw/zinc/21/42/01/454214201.db2.gz NMAYFEYLGVKUKA-LJQANCHMSA-N 1 0 340.471 3.145 50 0 EGAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Cc2ccc(Cl)cc2F)C1 ZINC000071754914 454214287 /nfs/dbraw/zinc/21/42/87/454214287.db2.gz VNMQRZLHLWUWCF-CYBMUJFWSA-N 1 0 326.843 3.260 50 0 EGAARO CC(C)[C@@H]1C[N@H+](CCn2ccnc2)CCCN1Cc1ccc(F)cc1 ZINC000071758989 454215599 /nfs/dbraw/zinc/21/55/99/454215599.db2.gz FPHKNANNBCOGBW-FQEVSTJZSA-N 1 0 344.478 3.255 50 0 EGAARO C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1cccnc1)CC2 ZINC000095509037 454225056 /nfs/dbraw/zinc/22/50/56/454225056.db2.gz NIQCCLZNAAWIBI-LJQANCHMSA-N 1 0 335.451 3.176 50 0 EGAARO C[NH+](C)CCC[C@H]1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O ZINC000095857869 454232059 /nfs/dbraw/zinc/23/20/59/454232059.db2.gz CWNJEYNRTSTRHF-OALUTQOASA-N 1 0 336.435 3.302 50 0 EGAARO O=C(Cn1ccc2ccc(F)cc21)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096125614 454289520 /nfs/dbraw/zinc/28/95/20/454289520.db2.gz AWJAWEHNGOOJNY-SJLPKXTDSA-N 1 0 343.446 3.161 50 0 EGAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000096151680 454294830 /nfs/dbraw/zinc/29/48/30/454294830.db2.gz WGNUCMCVQAFNJJ-MRXNPFEDSA-N 1 0 340.427 3.480 50 0 EGAARO COc1ccc([C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000062005042 454364723 /nfs/dbraw/zinc/36/47/23/454364723.db2.gz LIVALQLXZZFAIF-NRFANRHFSA-N 1 0 340.467 3.168 50 0 EGAARO [NH3+][C@H]1CN(C(=O)c2ccccc2OCc2ccccc2)C[C@@H]1C1CC1 ZINC000091351021 454429584 /nfs/dbraw/zinc/42/95/84/454429584.db2.gz DJMTXFDPWHFINA-MOPGFXCFSA-N 1 0 336.435 3.075 50 0 EGAARO O=C(CC1CCCCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091637011 454453947 /nfs/dbraw/zinc/45/39/47/454453947.db2.gz BAFLNRQPPPWUJL-VQTJNVASSA-N 1 0 341.499 3.475 50 0 EGAARO O=C(CC[NH+]1CCCCCCC1)N(CCCO)Cc1cccs1 ZINC000063872129 454457665 /nfs/dbraw/zinc/45/76/65/454457665.db2.gz FRMNLJJWEWWKCX-UHFFFAOYSA-N 1 0 338.517 3.115 50 0 EGAARO CCCCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(F)cc1)C2 ZINC000092020266 454504384 /nfs/dbraw/zinc/50/43/84/454504384.db2.gz JXWTWIVZMJJCLV-PKOBYXMFSA-N 1 0 348.462 3.065 50 0 EGAARO CCOc1ccc([C@H](O)C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000065255292 454545787 /nfs/dbraw/zinc/54/57/87/454545787.db2.gz AZGCCFJMPAKXCX-OAQYLSRUSA-N 1 0 340.467 3.249 50 0 EGAARO CC(C)[C@@H]1C=CCN1C(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065374643 454556520 /nfs/dbraw/zinc/55/65/20/454556520.db2.gz GPWQPVQYVXZPED-KRWDZBQOSA-N 1 0 348.874 3.264 50 0 EGAARO CCC[NH+]1CCC(CC(=O)NCc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000065418658 454564385 /nfs/dbraw/zinc/56/43/85/454564385.db2.gz GOWOZJUOSGOFQX-HNNXBMFYSA-N 1 0 330.472 3.138 50 0 EGAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1onc2ccccc21 ZINC000065466220 454572058 /nfs/dbraw/zinc/57/20/58/454572058.db2.gz DXRJJYCFQNGOFO-UHFFFAOYSA-N 1 0 343.452 3.402 50 0 EGAARO Cc1cc(-n2nc(C(C)C)nc2Cn2c3ccccc3oc2=O)cc[nH+]1 ZINC000065533743 454586873 /nfs/dbraw/zinc/58/68/73/454586873.db2.gz NCDHUOJTOYGKDJ-UHFFFAOYSA-N 1 0 349.394 3.050 50 0 EGAARO CCOc1ccccc1NC(=O)CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000139797271 454811987 /nfs/dbraw/zinc/81/19/87/454811987.db2.gz JGKDNHSXZDEUFC-UHFFFAOYSA-N 1 0 332.444 3.059 50 0 EGAARO O=C(NCc1ccoc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000171194793 455044022 /nfs/dbraw/zinc/04/40/22/455044022.db2.gz QHSYWCHOUSKZTC-UHFFFAOYSA-N 1 0 341.455 3.130 50 0 EGAARO C[N@H+](Cc1ccc(OCCn2ccnc2)cc1)C1CCSCC1 ZINC000215907423 456027159 /nfs/dbraw/zinc/02/71/59/456027159.db2.gz JPPSOVHJXKYYIU-UHFFFAOYSA-N 1 0 331.485 3.290 50 0 EGAARO Cc1ncsc1CN(Cc1ccccc1)C(=O)N[C@H](C)C[NH+](C)C ZINC000426545042 457852363 /nfs/dbraw/zinc/85/23/63/457852363.db2.gz KKOWVJBKJDAMON-CQSZACIVSA-N 1 0 346.500 3.113 50 0 EGAARO Cn1c(SCC2CCC(F)(F)CC2)nnc1C1CC[NH2+]CC1 ZINC000426715837 457884275 /nfs/dbraw/zinc/88/42/75/457884275.db2.gz HUKXDAJANFSZCV-UHFFFAOYSA-N 1 0 330.448 3.200 50 0 EGAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccn(C(F)F)n1 ZINC000584898802 459820523 /nfs/dbraw/zinc/82/05/23/459820523.db2.gz NJPGXUXPPFNXBH-MRXNPFEDSA-N 1 0 348.397 3.235 50 0 EGAARO Cc1cc(NCC[C@H](C)[NH+]2CCN(C)CC2)nc2ccc(F)cc12 ZINC000534590175 478160444 /nfs/dbraw/zinc/16/04/44/478160444.db2.gz NDYZCSHRAAPOGE-HNNXBMFYSA-N 1 0 330.451 3.120 50 0 EGAARO CCC[NH+]1CCC(CC(=O)NC[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000095508174 519842239 /nfs/dbraw/zinc/84/22/39/519842239.db2.gz WQPDJMGTQVLRCZ-QGZVFWFLSA-N 1 0 338.879 3.002 50 0 EGAARO CC[C@@]1(C(N)=O)CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215138568 536033430 /nfs/dbraw/zinc/03/34/30/536033430.db2.gz COSIKYKXBUSFFF-LJQANCHMSA-N 1 0 330.476 3.002 50 0 EGAARO CCCSCC(=O)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000221208009 547244057 /nfs/dbraw/zinc/24/40/57/547244057.db2.gz FDXFQMREUJYQKO-MSOLQXFVSA-N 1 0 332.513 3.253 50 0 EGAARO CN(Cc1cnc(-c2ccccc2)s1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584886920 548099313 /nfs/dbraw/zinc/09/93/13/548099313.db2.gz YAYXPSGIEMKOQB-CABCVRRESA-N 1 0 329.469 3.286 50 0 EGAARO CC[C@H](NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000670448882 548216647 /nfs/dbraw/zinc/21/66/47/548216647.db2.gz IRUKLQJIKDRFOG-KRWDZBQOSA-N 1 0 343.496 3.381 50 0 EGAARO Cc1cccc(Cl)c1S(=O)(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000670450078 548217281 /nfs/dbraw/zinc/21/72/81/548217281.db2.gz CHGJBVYBHXRJIA-OAHLLOKOSA-N 1 0 344.908 3.047 50 0 EGAARO CC(C)c1nnc([C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2C2CC2)[nH]1 ZINC000685942272 550456433 /nfs/dbraw/zinc/45/64/33/550456433.db2.gz HLZQUYTXILGCCS-MSOLQXFVSA-N 1 0 340.471 3.046 50 0 EGAARO C[N@@H+](Cc1c[nH]nc1-c1cccc2ccccc21)C[C@H]1COCCO1 ZINC000012316909 1291132003 /nfs/dbraw/zinc/13/20/03/1291132003.db2.gz HFIIUTUKNKNYQE-KRWDZBQOSA-N 1 0 337.423 3.077 50 0 EGAARO COCCNC(=O)CCC1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000015067632 1291146181 /nfs/dbraw/zinc/14/61/81/1291146181.db2.gz JCVXUTZGPBIGNJ-OALUTQOASA-N 1 0 348.531 3.234 50 0 EGAARO Cc1ccc2[nH]c(CNC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)nc2c1 ZINC000023543367 1291236906 /nfs/dbraw/zinc/23/69/06/1291236906.db2.gz VJPLBDWTAWOBQT-ZDUSSCGKSA-N 1 0 340.452 3.287 50 0 EGAARO Cc1cccc2[nH]nc(-c3cc(NCC[NH+](C)C)nc4[nH]ccc43)c21 ZINC000072148098 1292276825 /nfs/dbraw/zinc/27/68/25/1292276825.db2.gz DJESGDHDOMOVNT-UHFFFAOYSA-N 1 0 334.427 3.388 50 0 EGAARO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000827861543 1292390316 /nfs/dbraw/zinc/39/03/16/1292390316.db2.gz LTRYTXDQZODRCG-CQSZACIVSA-N 1 0 349.525 3.145 50 0 EGAARO CN(Cc1nc2ccccc2[nH]1)C(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000827887593 1292394880 /nfs/dbraw/zinc/39/48/80/1292394880.db2.gz PIBCGOVSASHWQA-UHFFFAOYSA-N 1 0 342.487 3.468 50 0 EGAARO O=C(NCc1cccc(F)c1)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013055 1292417844 /nfs/dbraw/zinc/41/78/44/1292417844.db2.gz MDIQEZLABPPTHT-INIZCTEOSA-N 1 0 347.459 3.351 50 0 EGAARO Cc1cc(F)ccc1N1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000828827573 1292504732 /nfs/dbraw/zinc/50/47/32/1292504732.db2.gz GFHPBYQWEZVSBS-UHFFFAOYSA-N 1 0 328.431 3.385 50 0 EGAARO CCC(C)(C)NC(=O)N(CCCn1ccnc1)Cc1ccncc1 ZINC000822635466 1320107010 /nfs/dbraw/zinc/10/70/10/1320107010.db2.gz PURFYWZGRCAVLW-UHFFFAOYSA-N 1 0 329.448 3.069 50 0 EGAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000825562194 1320346518 /nfs/dbraw/zinc/34/65/18/1320346518.db2.gz FBWYTQGKXMXEQZ-CYBMUJFWSA-N 1 0 335.860 3.191 50 0 EGAARO c1cnn(CCC[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)c1 ZINC000952959831 1334624945 /nfs/dbraw/zinc/62/49/45/1334624945.db2.gz XLQOWZIAAAKOBA-UHFFFAOYSA-N 1 0 341.484 3.095 50 0 EGAARO CC(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)C1 ZINC000952963319 1334625839 /nfs/dbraw/zinc/62/58/39/1334625839.db2.gz GUHDWXYXVQREOV-IBGZPJMESA-N 1 0 337.467 3.485 50 0 EGAARO Cc1ccc(C[N@H+](CCC(N)=O)CCc2ccccc2)c(F)c1F ZINC000952973241 1334627751 /nfs/dbraw/zinc/62/77/51/1334627751.db2.gz RWSTZSBZIUFTHK-UHFFFAOYSA-N 1 0 332.394 3.193 50 0 EGAARO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]Cc1c(CO)cnc(C)c1O ZINC000952990619 1334631783 /nfs/dbraw/zinc/63/17/83/1334631783.db2.gz ZPVYCJNLQSTAJL-KRWDZBQOSA-N 1 0 342.439 3.288 50 0 EGAARO Cc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]Cc1c(CO)cnc(C)c1O ZINC000952990621 1334631817 /nfs/dbraw/zinc/63/18/17/1334631817.db2.gz ZPVYCJNLQSTAJL-QGZVFWFLSA-N 1 0 342.439 3.288 50 0 EGAARO Cc1ncsc1C[N@H+]1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1 ZINC001704344043 1416449905 /nfs/dbraw/zinc/44/99/05/1416449905.db2.gz NTECPFOZVIXZGU-CRAIPNDOSA-N 1 0 339.464 3.035 50 0 EGAARO C[N@@H+](Cc1nnc(-c2cccnc2)o1)C[C@H]1CCN(c2ccccc2)C1 ZINC001704349777 1416452576 /nfs/dbraw/zinc/45/25/76/1416452576.db2.gz WOLHIJFFZCFOMH-MRXNPFEDSA-N 1 0 349.438 3.090 50 0 EGAARO COc1cc(C)c(C[N@@H+]2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)cc1C ZINC001704350545 1416452692 /nfs/dbraw/zinc/45/26/92/1416452692.db2.gz NXKLMEOSGCCYCW-XLIONFOSSA-N 1 0 344.455 3.298 50 0 EGAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3cc(C4CC4)on3)o2)CC1 ZINC001704352835 1416453078 /nfs/dbraw/zinc/45/30/78/1416453078.db2.gz ZLUDPCTYNXYFCD-UHFFFAOYSA-N 1 0 343.427 3.307 50 0 EGAARO O=c1ccc(CC2CC[NH+](CCOc3ccc(F)cc3)CC2)c[nH]1 ZINC001772807178 1441417377 /nfs/dbraw/zinc/41/73/77/1441417377.db2.gz QGORIIWWYVTSIJ-UHFFFAOYSA-N 1 0 330.403 3.260 50 0 EGAARO Cn1ccc(C2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1=O ZINC001772809173 1441417559 /nfs/dbraw/zinc/41/75/59/1441417559.db2.gz OCWBYPSXDDMSFN-UHFFFAOYSA-N 1 0 346.858 3.297 50 0 EGAARO O=c1cc(C2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc[nH]1 ZINC001772817677 1441417667 /nfs/dbraw/zinc/41/76/67/1441417667.db2.gz UOJIXUCFZHWUAB-RBUKOAKNSA-N 1 0 329.488 3.231 50 0 EGAARO Cc1cc(N2CCC3(CC2)C[N@H+](C)CCO3)nc2ccc(Cl)cc12 ZINC001772815138 1441417709 /nfs/dbraw/zinc/41/77/09/1441417709.db2.gz JNHWEOYVXJCTNW-UHFFFAOYSA-N 1 0 345.874 3.498 50 0 EGAARO