smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3n2C)c(C)c1OC ZINC000287122888 1015216229 /nfs/dbraw/zinc/21/62/29/1015216229.db2.gz ZJARCOSSKOYRPL-AWEZNQCLSA-N 1 0 339.439 3.750 50 0 EHAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000169781504 1032646752 /nfs/dbraw/zinc/64/67/52/1032646752.db2.gz OJOUWIQOPXJXGT-HNNXBMFYSA-N 1 0 338.854 3.560 50 0 EHAARO CC(C)C[N@H+](Cc1cccnc1)C1CN(C(=O)CC2CCCCC2)C1 ZINC000257182519 1038436361 /nfs/dbraw/zinc/43/63/61/1038436361.db2.gz GPNUZEDXUZMJGU-UHFFFAOYSA-N 1 0 343.515 3.721 50 0 EHAARO O=C1CCC2(CC[NH+](Cc3ccco3)CC2)N1Cc1ccc(F)cc1 ZINC000675016816 1039874924 /nfs/dbraw/zinc/87/49/24/1039874924.db2.gz MFNHNSWDHJJQJX-UHFFFAOYSA-N 1 0 342.414 3.576 50 0 EHAARO CCc1nc(C)cc(NC[C@H](c2ccc(Cl)cc2)n2ccnc2)n1 ZINC000888094706 1043206022 /nfs/dbraw/zinc/20/60/22/1043206022.db2.gz ARGLJHAFFGMPHR-MRXNPFEDSA-N 1 0 341.846 3.899 50 0 EHAARO CCCC[C@@H]1C[N@H+](CCC(=O)N[C@@H](C)CC)Cc2ccccc2O1 ZINC000011870246 1129087538 /nfs/dbraw/zinc/08/75/38/1129087538.db2.gz MPTABDQFUILGFO-FUHWJXTLSA-N 1 0 332.488 3.745 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)[nH]c2ccccc12 ZINC000011712644 1129344016 /nfs/dbraw/zinc/34/40/16/1129344016.db2.gz XNAKHZFSUOIVAF-INIZCTEOSA-N 1 0 339.483 3.747 50 0 EHAARO Cc1cc(C(=O)Nc2cccc(-c3nc(C[NH3+])c(C)o3)c2)c(C)o1 ZINC000827469525 1131380505 /nfs/dbraw/zinc/38/05/05/1131380505.db2.gz IZOUHVCPWZYGSD-UHFFFAOYSA-N 1 0 325.368 3.571 50 0 EHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cnc2c(c1)CCCC2 ZINC000828199767 1131426090 /nfs/dbraw/zinc/42/60/90/1131426090.db2.gz SAOPMMBTDBDKLK-UHFFFAOYSA-N 1 0 335.451 3.809 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)o1 ZINC000065287794 1131537007 /nfs/dbraw/zinc/53/70/07/1131537007.db2.gz RWSALXCJZUSYCO-SFHVURJKSA-N 1 0 336.439 3.607 50 0 EHAARO COCc1ncc(C)n1C[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000575548109 1131572239 /nfs/dbraw/zinc/57/22/39/1131572239.db2.gz GVCLURYZZKGUQU-IBGZPJMESA-N 1 0 327.472 3.559 50 0 EHAARO Cc1nnc(SCc2nc(C(C)C)nn2-c2cc[nH+]cc2C)s1 ZINC000065383750 1132106037 /nfs/dbraw/zinc/10/60/37/1132106037.db2.gz MTNUCVMQMRPKSD-UHFFFAOYSA-N 1 0 346.485 3.546 50 0 EHAARO COc1cc(C[NH2+]Cc2cccc(C3(C)OCCO3)c2)ccc1C ZINC000585118523 1137009382 /nfs/dbraw/zinc/00/93/82/1137009382.db2.gz RYSIRJGGWLJSPA-UHFFFAOYSA-N 1 0 327.424 3.513 50 0 EHAARO CCSc1ncc(C[N@H+](Cc2ccccc2C)[C@H](C)COC)cn1 ZINC000952868213 1137483010 /nfs/dbraw/zinc/48/30/10/1137483010.db2.gz FMKOPMZNFFXUDA-MRXNPFEDSA-N 1 0 345.512 3.934 50 0 EHAARO C[C@H](c1ccccc1)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000952884207 1137483373 /nfs/dbraw/zinc/48/33/73/1137483373.db2.gz VZYSVIHMLXNSAJ-TZMCWYRMSA-N 1 0 338.377 3.596 50 0 EHAARO O=C(NCc1ccc(F)c(Cl)c1)C1([NH+]2CCCC2)CCCCC1 ZINC000952866975 1137483767 /nfs/dbraw/zinc/48/37/67/1137483767.db2.gz HMQFNMMHMVUFDF-UHFFFAOYSA-N 1 0 338.854 3.894 50 0 EHAARO CSc1ccc(/C=C/C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000003356534 1138093275 /nfs/dbraw/zinc/09/32/75/1138093275.db2.gz VIVFENXCHAXTMW-DHZHZOJOSA-N 1 0 332.513 3.847 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000097696166 219048468 /nfs/dbraw/zinc/04/84/68/219048468.db2.gz YSXHHLLMLXLHEC-KRWDZBQOSA-N 1 0 347.466 3.863 50 0 EHAARO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000004271651 210157004 /nfs/dbraw/zinc/15/70/04/210157004.db2.gz BQIZKNNDBAZESK-UHFFFAOYSA-N 1 0 340.389 3.796 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000010017771 201793001 /nfs/dbraw/zinc/79/30/01/201793001.db2.gz QAFZGWVABSZAJO-OAQYLSRUSA-N 1 0 332.447 3.801 50 0 EHAARO C[C@@H](Cc1ccccc1F)[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000011934314 201819773 /nfs/dbraw/zinc/81/97/73/201819773.db2.gz RJPIOPPCGABURE-HNNXBMFYSA-N 1 0 332.463 3.528 50 0 EHAARO CSc1ccc2cc(C[N@H+](C)[C@@H](C)c3ccncc3)c(=O)[nH]c2c1 ZINC000067491129 215154006 /nfs/dbraw/zinc/15/40/06/215154006.db2.gz HUWPABPVUYRKPH-ZDUSSCGKSA-N 1 0 339.464 3.838 50 0 EHAARO CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]C3CCN(C)CC3)C2)cc1 ZINC000019742777 202017936 /nfs/dbraw/zinc/01/79/36/202017936.db2.gz XRXYYHWXDORXSE-QFIPXVFZSA-N 1 0 343.559 3.533 50 0 EHAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](CCCSC)CC1 ZINC000019742250 202018547 /nfs/dbraw/zinc/01/85/47/202018547.db2.gz NBEDTJUCXAPELO-UHFFFAOYSA-N 1 0 335.513 3.628 50 0 EHAARO CCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1OC ZINC000020175461 202036040 /nfs/dbraw/zinc/03/60/40/202036040.db2.gz XVXWWBFSBXFBOS-INIZCTEOSA-N 1 0 335.831 3.571 50 0 EHAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100487 202031203 /nfs/dbraw/zinc/03/12/03/202031203.db2.gz KFMAGQRBCSUAAE-UHFFFAOYSA-N 1 0 332.463 3.877 50 0 EHAARO Cc1ccc([C@@H](CC[NH2+]CCN(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000020566489 202049158 /nfs/dbraw/zinc/04/91/58/202049158.db2.gz OFXYFIUSQDZZBQ-WOJBJXKFSA-N 1 0 332.532 3.825 50 0 EHAARO CCOc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000021148694 202062490 /nfs/dbraw/zinc/06/24/90/202062490.db2.gz YJUMJFRYSFIEDI-KRWDZBQOSA-N 1 0 330.472 3.566 50 0 EHAARO CCN(CC[NH+](CC)CC)Cc1ccc(F)c(Br)c1 ZINC000022027713 202077513 /nfs/dbraw/zinc/07/75/13/202077513.db2.gz GCCWTCTUEHDEEM-UHFFFAOYSA-N 1 0 331.273 3.752 50 0 EHAARO COC(=O)c1ccc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000023360322 202103071 /nfs/dbraw/zinc/10/30/71/202103071.db2.gz YJOHCRPXMUWLEK-HXUWFJFHSA-N 1 0 344.499 3.608 50 0 EHAARO CCc1cccc2c(C(=O)[C@@H](NCC[NH+](C)C)c3ccccc3)c[nH]c21 ZINC000023466401 202104517 /nfs/dbraw/zinc/10/45/17/202104517.db2.gz PDFWGKIYIYKUMC-NRFANRHFSA-N 1 0 349.478 3.806 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1sccc1-n1cccc1 ZINC000026025025 202137953 /nfs/dbraw/zinc/13/79/53/202137953.db2.gz IMAFIKMFPVHBGA-UHFFFAOYSA-N 1 0 339.464 3.530 50 0 EHAARO Cc1nc2ccccc2nc1NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000026729577 202148004 /nfs/dbraw/zinc/14/80/04/202148004.db2.gz BDCZSUSFTFTRMJ-OAHLLOKOSA-N 1 0 332.451 3.797 50 0 EHAARO Cc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2CCCC3)cc1 ZINC000027788682 202160245 /nfs/dbraw/zinc/16/02/45/202160245.db2.gz GGWDHHIZARQUJU-UHFFFAOYSA-N 1 0 347.438 3.848 50 0 EHAARO COc1ccccc1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027139634 202152693 /nfs/dbraw/zinc/15/26/93/202152693.db2.gz OAHIOLHVYXQJRU-UHFFFAOYSA-N 1 0 338.451 3.862 50 0 EHAARO COc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580748 202157361 /nfs/dbraw/zinc/15/73/61/202157361.db2.gz ZWUHJJDRYUIKCG-INIZCTEOSA-N 1 0 344.480 3.714 50 0 EHAARO CCOc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027664297 202159514 /nfs/dbraw/zinc/15/95/14/202159514.db2.gz NXMKPXJEYNPHSY-KRWDZBQOSA-N 1 0 344.480 3.714 50 0 EHAARO Cc1ccc2[nH]c(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2c1 ZINC000029512756 202188631 /nfs/dbraw/zinc/18/86/31/202188631.db2.gz PSFADPWRLITTTO-MRXNPFEDSA-N 1 0 327.453 3.571 50 0 EHAARO Cc1nccnc1[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000187870053 236322200 /nfs/dbraw/zinc/32/22/00/236322200.db2.gz XZRALEUPZDEYTE-OAHLLOKOSA-N 1 0 345.874 3.837 50 0 EHAARO COc1cccc(Cl)c1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000188468619 202236257 /nfs/dbraw/zinc/23/62/57/202236257.db2.gz ZTOXFUHTZDPTLZ-UHFFFAOYSA-N 1 0 337.876 3.564 50 0 EHAARO Cc1ccsc1C[N@H+](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000032836226 202238058 /nfs/dbraw/zinc/23/80/58/202238058.db2.gz FNMMIFDOLFVUGM-UHFFFAOYSA-N 1 0 342.464 3.565 50 0 EHAARO CC[N@H+](CC(=O)N1CCc2ccccc21)[C@H](C)c1cccc(OC)c1 ZINC000032927272 202242960 /nfs/dbraw/zinc/24/29/60/202242960.db2.gz UNGZZUGREJPEKE-MRXNPFEDSA-N 1 0 338.451 3.667 50 0 EHAARO C[NH+](C)CCCNC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000032999470 202246127 /nfs/dbraw/zinc/24/61/27/202246127.db2.gz RJJZVMMQNXMVMQ-UHFFFAOYSA-N 1 0 342.508 3.577 50 0 EHAARO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036095500 202314643 /nfs/dbraw/zinc/31/46/43/202314643.db2.gz SIZGBYKHBJAINL-IBGZPJMESA-N 1 0 331.431 3.786 50 0 EHAARO CCC[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COc1ccccc1C ZINC000036099744 202315117 /nfs/dbraw/zinc/31/51/17/202315117.db2.gz STWKMOINMIFHTQ-GOSISDBHSA-N 1 0 349.421 3.925 50 0 EHAARO Clc1ccc2cccnc2c1C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000071876377 202353110 /nfs/dbraw/zinc/35/31/10/202353110.db2.gz ITRWCULNRLTCFV-HNNXBMFYSA-N 1 0 341.846 3.534 50 0 EHAARO COc1ccccc1OC1CN(Cc2cccc([C@H](C)[NH+](C)C)c2)C1 ZINC000072478851 216258227 /nfs/dbraw/zinc/25/82/27/216258227.db2.gz SFRTXKRPANDASR-INIZCTEOSA-N 1 0 340.467 3.581 50 0 EHAARO C[C@H](C(=O)N1CCC[C@H]1c1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000225330809 201036627 /nfs/dbraw/zinc/03/66/27/201036627.db2.gz WAMLNCSTJCKBBF-JVPBZIDWSA-N 1 0 326.415 3.825 50 0 EHAARO CCN(C(=O)[C@H](C)OCC(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000229687300 201044234 /nfs/dbraw/zinc/04/42/34/201044234.db2.gz LZVFHDBCMJLOFT-CMKODMSKSA-N 1 0 346.515 3.732 50 0 EHAARO Brc1cccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000008328840 201363475 /nfs/dbraw/zinc/36/34/75/201363475.db2.gz UABVKWVXZLZYFB-CHWSQXEVSA-N 1 0 325.275 3.953 50 0 EHAARO COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000330031626 201363680 /nfs/dbraw/zinc/36/36/80/201363680.db2.gz BHGUFXXUZKNTMY-ZDUSSCGKSA-N 1 0 346.862 3.655 50 0 EHAARO Cc1ccoc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022681009 212316331 /nfs/dbraw/zinc/31/63/31/212316331.db2.gz JIZPEPYSLJGTLE-HNNXBMFYSA-N 1 0 332.469 3.853 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)c1ccnn1C ZINC000193294608 240095339 /nfs/dbraw/zinc/09/53/39/240095339.db2.gz NZQCXNHXZDTHOC-HNNXBMFYSA-N 1 0 339.414 3.989 50 0 EHAARO CCn1ccc2cc(C[NH+]3CCC(O)(c4cccnc4)CC3)ccc21 ZINC000215100043 241106152 /nfs/dbraw/zinc/10/61/52/241106152.db2.gz LZTBALJDCKFXDA-UHFFFAOYSA-N 1 0 335.451 3.540 50 0 EHAARO Cc1noc(CC2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000216332925 241182704 /nfs/dbraw/zinc/18/27/04/241182704.db2.gz KLGIIDMDBMQPRP-UHFFFAOYSA-N 1 0 339.361 3.852 50 0 EHAARO CCCOc1c(Br)cc(Br)cc1C[NH2+]C ZINC000020929689 212190595 /nfs/dbraw/zinc/19/05/95/212190595.db2.gz KHVXKTANGUSQBY-UHFFFAOYSA-N 1 0 337.055 3.720 50 0 EHAARO C[C@H](C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1)c1ccccc1 ZINC000005045794 201635748 /nfs/dbraw/zinc/63/57/48/201635748.db2.gz OMHFDWJGTXEJPE-GOSISDBHSA-N 1 0 328.500 3.761 50 0 EHAARO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cc(C)n(C)n1)OC(C)C ZINC000242324494 243016954 /nfs/dbraw/zinc/01/69/54/243016954.db2.gz ZBTGKPRWCSPZJK-KXBFYZLASA-N 1 0 331.460 3.554 50 0 EHAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000243893040 243029013 /nfs/dbraw/zinc/02/90/13/243029013.db2.gz ANUKZPKDVJPUBV-LJQANCHMSA-N 1 0 339.414 3.805 50 0 EHAARO O=C(Nc1cccc(C[NH2+]C2CCOCC2)c1)c1ccccc1Cl ZINC000069595755 203025684 /nfs/dbraw/zinc/02/56/84/203025684.db2.gz UZUVBRQEZVTAIE-UHFFFAOYSA-N 1 0 344.842 3.861 50 0 EHAARO C[NH+](C)CCCOc1ccc2c(c1)Sc1ccccc1C[C@@H]2O ZINC000252502570 243824788 /nfs/dbraw/zinc/82/47/88/243824788.db2.gz UQYFXIWGFHTVMG-KRWDZBQOSA-N 1 0 329.465 3.758 50 0 EHAARO CC[C@@H]1C[N@H+](Cc2cccs2)CCC(=O)N1Cc1ccccc1 ZINC000071752102 203107476 /nfs/dbraw/zinc/10/74/76/203107476.db2.gz KUGMJJSTCGCYKW-QGZVFWFLSA-N 1 0 328.481 3.761 50 0 EHAARO Cc1c2cccc(Cl)c2[nH]c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071759904 203109421 /nfs/dbraw/zinc/10/94/21/203109421.db2.gz JAAOVBWIVCQMQI-UHFFFAOYSA-N 1 0 345.874 3.717 50 0 EHAARO COc1cc(-c2nccn2-c2cccc(C[NH+]3CCCC3)c2)ccc1O ZINC000071764761 203111059 /nfs/dbraw/zinc/11/10/59/203111059.db2.gz OHEZPINETFFLFG-UHFFFAOYSA-N 1 0 349.434 3.849 50 0 EHAARO CCOC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000071853775 203129171 /nfs/dbraw/zinc/12/91/71/203129171.db2.gz AXDVENYLWVXPGA-UHFFFAOYSA-N 1 0 341.411 3.569 50 0 EHAARO COc1cccc([C@@H](C[NH2+]Cc2ccccc2OC)N2CCCC2)c1 ZINC000071798757 203114704 /nfs/dbraw/zinc/11/47/04/203114704.db2.gz ZCGJWKXKBABLJU-HXUWFJFHSA-N 1 0 340.467 3.631 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000072131760 203166510 /nfs/dbraw/zinc/16/65/10/203166510.db2.gz GRKDTLKLBFFUDS-MRXNPFEDSA-N 1 0 328.504 3.583 50 0 EHAARO CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)s1 ZINC000072137268 203168261 /nfs/dbraw/zinc/16/82/61/203168261.db2.gz NHMIGMNKVHUKJW-MRXNPFEDSA-N 1 0 345.512 3.902 50 0 EHAARO CN(Cc1cc(-c2cccs2)n[nH]1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072150318 203172357 /nfs/dbraw/zinc/17/23/57/203172357.db2.gz ZQJSULCYULMYOQ-MAUKXSAKSA-N 1 0 344.528 3.835 50 0 EHAARO Fc1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000072152852 203172380 /nfs/dbraw/zinc/17/23/80/203172380.db2.gz CRWXRLQFWOOCAZ-INIZCTEOSA-N 1 0 340.870 3.556 50 0 EHAARO Cc1cc(-c2cc(NC3CC[NH2+]CC3)nc3[nH]ccc32)nc(C)c1C ZINC000072164859 203177486 /nfs/dbraw/zinc/17/74/86/203177486.db2.gz MDNMYLNGVCMZTF-UHFFFAOYSA-N 1 0 335.455 3.714 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)n1 ZINC000072171474 203180981 /nfs/dbraw/zinc/18/09/81/203180981.db2.gz JEMIEDLDDSJQPV-MRXNPFEDSA-N 1 0 331.435 3.642 50 0 EHAARO O=C(CCC[NH+]1CCCCC1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000074350241 203286667 /nfs/dbraw/zinc/28/66/67/203286667.db2.gz ODDOFIZJRIYMBP-NRFANRHFSA-N 1 0 337.467 3.553 50 0 EHAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000077299945 203378231 /nfs/dbraw/zinc/37/82/31/203378231.db2.gz MVGMGDGBANONAM-HXUWFJFHSA-N 1 0 349.482 3.573 50 0 EHAARO O=C(c1ccc([C@@H]2CCC[NH2+]2)s1)N1CCC(c2ccncc2)CC1 ZINC000077303473 203379003 /nfs/dbraw/zinc/37/90/03/203379003.db2.gz HFIYEIQHWAXZSK-INIZCTEOSA-N 1 0 341.480 3.587 50 0 EHAARO c1csc(C[N@@H+]2CCCN(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000077376832 203384039 /nfs/dbraw/zinc/38/40/39/203384039.db2.gz JTISYYVTOMMNSN-UHFFFAOYSA-N 1 0 340.452 3.510 50 0 EHAARO Cc1nc(C[N@H+](C)C[C@H]2CCN(c3ccccc3)C2)c2ccccn12 ZINC000077407799 203387165 /nfs/dbraw/zinc/38/71/65/203387165.db2.gz LTOOOZRGMNYNQD-GOSISDBHSA-N 1 0 334.467 3.601 50 0 EHAARO Cc1nc(C[N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)c2ccccn12 ZINC000077407798 203387278 /nfs/dbraw/zinc/38/72/78/203387278.db2.gz LTOOOZRGMNYNQD-SFHVURJKSA-N 1 0 334.467 3.601 50 0 EHAARO O=C(NC1CC[NH+](C2CC2)CC1)N1CCCCC[C@H]1c1ccco1 ZINC000077549225 203394816 /nfs/dbraw/zinc/39/48/16/203394816.db2.gz ZBSXUNZUJOLTJI-KRWDZBQOSA-N 1 0 331.460 3.533 50 0 EHAARO CC[NH+](CC)CCN(Cc1cccs1)c1nn2cc(C)nc2s1 ZINC000079098993 203439433 /nfs/dbraw/zinc/43/94/33/203439433.db2.gz UYUPOOWMYXLJQH-UHFFFAOYSA-N 1 0 349.529 3.509 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)[C@@H](CC)C1 ZINC000089948896 203606603 /nfs/dbraw/zinc/60/66/03/203606603.db2.gz JCTAEAFBGUJITN-XJKSGUPXSA-N 1 0 326.843 3.606 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c(C)n1 ZINC000091739661 203648603 /nfs/dbraw/zinc/64/86/03/203648603.db2.gz LYKIIEGROPAGPF-GFCCVEGCSA-N 1 0 340.402 3.781 50 0 EHAARO C[C@@H](C[C@H](C)[NH2+]CC1(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000095455519 203745885 /nfs/dbraw/zinc/74/58/85/203745885.db2.gz QLFYYPJFPUXHQI-HOTGVXAUSA-N 1 0 332.488 4.000 50 0 EHAARO CCC[NH+](CCC)Cc1ccc(-c2nc(-c3cccnn3)no2)cc1 ZINC000095505519 203752035 /nfs/dbraw/zinc/75/20/35/203752035.db2.gz CEJNFEUUIOWUSU-UHFFFAOYSA-N 1 0 337.427 3.816 50 0 EHAARO Cc1ccc([C@@H]2CCCCCN2C(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000155791016 206035267 /nfs/dbraw/zinc/03/52/67/206035267.db2.gz GLJHJUWHZAGSJD-SFHVURJKSA-N 1 0 345.487 3.842 50 0 EHAARO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000095420050 218360832 /nfs/dbraw/zinc/36/08/32/218360832.db2.gz FGUAEMKPZBXKIX-INIZCTEOSA-N 1 0 330.453 3.613 50 0 EHAARO CN1CC[C@H](C[NH2+]Cc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447475 218391944 /nfs/dbraw/zinc/39/19/44/218391944.db2.gz GCNBJVGWDQVHRK-WBMJQRKESA-N 1 0 339.867 3.718 50 0 EHAARO O=c1c2ccccc2oc(-c2ccco2)c1OCC[NH+]1CCCCC1 ZINC000012000439 207060846 /nfs/dbraw/zinc/06/08/46/207060846.db2.gz OIXGEZRFYBTCEL-UHFFFAOYSA-N 1 0 339.391 3.918 50 0 EHAARO CCc1cnc(C)nc1N1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000096132719 218618442 /nfs/dbraw/zinc/61/84/42/218618442.db2.gz SHBHSJUHFSMYLU-UHFFFAOYSA-N 1 0 349.482 3.587 50 0 EHAARO C[C@@H](Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1cc2ccccc2o1 ZINC000097232185 219000596 /nfs/dbraw/zinc/00/05/96/219000596.db2.gz VZKIBJQHHQRFOI-CYBMUJFWSA-N 1 0 337.423 3.766 50 0 EHAARO Cc1ccoc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000057586163 257853349 /nfs/dbraw/zinc/85/33/49/257853349.db2.gz UASVFCRVPNPOTN-HZPDHXFCSA-N 1 0 340.467 3.996 50 0 EHAARO O=C(NCc1ccc(F)cc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299793352 258098416 /nfs/dbraw/zinc/09/84/16/258098416.db2.gz IPOLJAKHDOIXGW-ZCNNSNEGSA-N 1 0 338.426 3.668 50 0 EHAARO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000299800970 258104054 /nfs/dbraw/zinc/10/40/54/258104054.db2.gz XKCWYROBXZCUAX-HNNXBMFYSA-N 1 0 348.368 3.854 50 0 EHAARO CCCC[NH2+]CCOCCOc1ccc(Br)cc1C ZINC000003001823 520692210 /nfs/dbraw/zinc/69/22/10/520692210.db2.gz GTYJXTFKEXSBKW-UHFFFAOYSA-N 1 0 330.266 3.543 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1 ZINC000252486150 524116121 /nfs/dbraw/zinc/11/61/21/524116121.db2.gz FTFUAJAEUGQSQX-VXGBXAGGSA-N 1 0 330.448 3.567 50 0 EHAARO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000170048431 564105035 /nfs/dbraw/zinc/10/50/35/564105035.db2.gz PBYTXVZQHWVBSU-ABAIWWIYSA-N 1 0 341.282 3.659 50 0 EHAARO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000000259100 563267968 /nfs/dbraw/zinc/26/79/68/563267968.db2.gz FHSHHCFXYUDHHS-UHFFFAOYSA-N 1 0 348.240 3.916 50 0 EHAARO NNc1[nH+]c(-c2ccccc2)nc(-c2ccccc2)c1Br ZINC000000331494 563285011 /nfs/dbraw/zinc/28/50/11/563285011.db2.gz VTTJSKIAMXNAIU-UHFFFAOYSA-N 1 0 341.212 3.859 50 0 EHAARO CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1 ZINC000000360102 563293376 /nfs/dbraw/zinc/29/33/76/563293376.db2.gz JBPDYZAYTXQVAY-LJQANCHMSA-N 1 0 341.451 3.933 50 0 EHAARO CC[N@H+](CCC(=O)Nc1cc(OC)ccc1OC)Cc1ccccc1 ZINC000000455151 563323626 /nfs/dbraw/zinc/32/36/26/563323626.db2.gz YTTHQSLTSRFSDP-UHFFFAOYSA-N 1 0 342.439 3.555 50 0 EHAARO Cc1[nH]c2c(cc(Br)cc2Br)c1CC[NH3+] ZINC000001235008 563381073 /nfs/dbraw/zinc/38/10/73/563381073.db2.gz JGCRNIYCSLYWCZ-UHFFFAOYSA-N 1 0 332.039 3.503 50 0 EHAARO O[C@@H](C[NH2+]CCc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002057086 563420182 /nfs/dbraw/zinc/42/01/82/563420182.db2.gz ULYPFEFNGKFKSF-IBGZPJMESA-N 1 0 344.458 3.988 50 0 EHAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(F)c(Br)c1)[NH2+]CC2 ZINC000004031351 563492556 /nfs/dbraw/zinc/49/25/56/563492556.db2.gz ZJANSNICGZFVPW-GLQYFDAESA-N 1 0 328.225 3.544 50 0 EHAARO C[C@H]1S[C@@H](c2c(Cl)cccc2Cl)N(CCC[NH+](C)C)C1=O ZINC000005046059 563519740 /nfs/dbraw/zinc/51/97/40/563519740.db2.gz FWIUTAMHBUJCPA-BMIGLBTASA-N 1 0 347.311 3.908 50 0 EHAARO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1ccncc1 ZINC000097370658 563595751 /nfs/dbraw/zinc/59/57/51/563595751.db2.gz DZDGCRWMZAIELD-HUUCEWRRSA-N 1 0 337.423 3.698 50 0 EHAARO Cc1ccccc1[N+]1=C2CCCCCN2[C@](O)(c2ccc(F)cc2)C1 ZINC000002974628 563623516 /nfs/dbraw/zinc/62/35/16/563623516.db2.gz LQUKBNBILWGWAX-OAQYLSRUSA-N 1 0 339.434 3.784 50 0 EHAARO Cc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCCC3)c(C)c1 ZINC000002966445 563624324 /nfs/dbraw/zinc/62/43/24/563624324.db2.gz MZWMCPLPPCGNQO-QFIPXVFZSA-N 1 0 335.471 3.872 50 0 EHAARO Cc1c(C[NH2+]CCO)c2ccccc2n1Cc1ccccc1Cl ZINC000010315495 563646859 /nfs/dbraw/zinc/64/68/59/563646859.db2.gz CSEFTYNUSHTBJD-UHFFFAOYSA-N 1 0 328.843 3.733 50 0 EHAARO c1ccc2sc(N3CCC[C@@H]([NH2+]C4CCSCC4)C3)nc2c1 ZINC000011878955 563651762 /nfs/dbraw/zinc/65/17/62/563651762.db2.gz MWUPKCKIEZALEB-CQSZACIVSA-N 1 0 333.526 3.750 50 0 EHAARO COc1cccc(CC[C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000012072540 563653100 /nfs/dbraw/zinc/65/31/00/563653100.db2.gz UUUWDDFGJAISNM-SFHVURJKSA-N 1 0 327.472 3.582 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012314966 563657655 /nfs/dbraw/zinc/65/76/55/563657655.db2.gz QUXHAIUKNQRNNR-QPHYPNAHSA-N 1 0 330.447 3.606 50 0 EHAARO CC(C)[N@H+](CCO)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000012434250 563660728 /nfs/dbraw/zinc/66/07/28/563660728.db2.gz BGWWUNRXLKGRPV-UHFFFAOYSA-N 1 0 335.451 3.946 50 0 EHAARO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012471383 563661915 /nfs/dbraw/zinc/66/19/15/563661915.db2.gz AKQPFJTXYNGMGO-HSZRJFAPSA-N 1 0 335.491 3.861 50 0 EHAARO CC[NH+](CC)CCCNC(=O)c1csc(Nc2ccc(C)cc2)n1 ZINC000004412096 563688207 /nfs/dbraw/zinc/68/82/07/563688207.db2.gz OSTJLFMDKRHCFM-UHFFFAOYSA-N 1 0 346.500 3.657 50 0 EHAARO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000014113459 563742065 /nfs/dbraw/zinc/74/20/65/563742065.db2.gz IYKRZVIZOIDMLZ-UHFFFAOYSA-N 1 0 328.387 3.682 50 0 EHAARO CC(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000014231282 563752836 /nfs/dbraw/zinc/75/28/36/563752836.db2.gz COEXZMNRFNNFKV-UHFFFAOYSA-N 1 0 348.512 3.869 50 0 EHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CC2CCCCC2)c1 ZINC000014884124 563766502 /nfs/dbraw/zinc/76/65/02/563766502.db2.gz BCGXVFVQGRBTEK-IBGZPJMESA-N 1 0 344.499 3.746 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2C)N3)C1 ZINC000004556130 563779167 /nfs/dbraw/zinc/77/91/67/563779167.db2.gz PGVIOIQHMUMYCB-MRXNPFEDSA-N 1 0 327.453 3.863 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000015860259 563796983 /nfs/dbraw/zinc/79/69/83/563796983.db2.gz BSCRAVPZJDETCD-MRXNPFEDSA-N 1 0 332.831 3.808 50 0 EHAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)NCCc1ccc(Cl)cc1 ZINC000016695445 563821112 /nfs/dbraw/zinc/82/11/12/563821112.db2.gz GVNBIRWSWSSEJR-IBGZPJMESA-N 1 0 342.870 3.666 50 0 EHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000023228422 563866250 /nfs/dbraw/zinc/86/62/50/563866250.db2.gz USQNHOOYSWQEAH-OAHLLOKOSA-N 1 0 347.890 3.777 50 0 EHAARO c1ccc2nc(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)ccc2c1 ZINC000177586751 563916288 /nfs/dbraw/zinc/91/62/88/563916288.db2.gz FTRIRWCBZOYNLB-FQEVSTJZSA-N 1 0 340.467 3.785 50 0 EHAARO Cc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)s1 ZINC000039479064 563922539 /nfs/dbraw/zinc/92/25/39/563922539.db2.gz ZEDURXFUUGOQRM-GOSISDBHSA-N 1 0 336.545 3.505 50 0 EHAARO Cn1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc2ccccc21 ZINC000040266338 563922937 /nfs/dbraw/zinc/92/29/37/563922937.db2.gz JDPDDAYQXKVRBP-UHFFFAOYSA-N 1 0 347.462 3.573 50 0 EHAARO CC(C)[C@@H](C)[N@H+](CCn1c(=O)oc2ccccc21)Cc1ccco1 ZINC000055414017 563934784 /nfs/dbraw/zinc/93/47/84/563934784.db2.gz RDHRTFFAKMAVPJ-OAHLLOKOSA-N 1 0 328.412 3.734 50 0 EHAARO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](CCC(C)C)CC3)n2)cc1 ZINC000058217652 563940069 /nfs/dbraw/zinc/94/00/69/563940069.db2.gz ASHFIDLLZDEFAV-KRWDZBQOSA-N 1 0 342.487 3.770 50 0 EHAARO O=C(Nc1ccccc1Oc1ccccc1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065373892 563958730 /nfs/dbraw/zinc/95/87/30/563958730.db2.gz JTKCGZJALOSHPD-CVEARBPZSA-N 1 0 337.423 3.837 50 0 EHAARO COCC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067434538 563962303 /nfs/dbraw/zinc/96/23/03/563962303.db2.gz TUDRFZZBUARAJJ-UHFFFAOYSA-N 1 0 333.435 3.748 50 0 EHAARO COCC[C@@H]1CCCC[N@@H+]1Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067540157 563962318 /nfs/dbraw/zinc/96/23/18/563962318.db2.gz ZUHCISXYUSWUEB-INIZCTEOSA-N 1 0 334.847 3.573 50 0 EHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccco3)CC2)cc1C ZINC000067541279 563962350 /nfs/dbraw/zinc/96/23/50/563962350.db2.gz NCMAHLJFMKUSEE-UHFFFAOYSA-N 1 0 326.440 3.538 50 0 EHAARO C[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2nn(C)c3ccccc32)c1 ZINC000067643642 563962402 /nfs/dbraw/zinc/96/24/02/563962402.db2.gz VUXZGBIXGBWHPT-HNNXBMFYSA-N 1 0 348.450 3.810 50 0 EHAARO Cc1n[nH]c(C)c1C[NH+]1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067688310 563962500 /nfs/dbraw/zinc/96/25/00/563962500.db2.gz JVQJWBXKGYXDGO-UHFFFAOYSA-N 1 0 349.482 3.720 50 0 EHAARO O=C(NC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1)c1ccsc1 ZINC000067714480 563962568 /nfs/dbraw/zinc/96/25/68/563962568.db2.gz VRIUTNAQSQNQJM-AWEZNQCLSA-N 1 0 334.872 3.653 50 0 EHAARO CCCO[C@@H]1CCC[N@H+](Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000067722923 563962584 /nfs/dbraw/zinc/96/25/84/563962584.db2.gz YEVXJZMEMCRYOG-MRXNPFEDSA-N 1 0 334.847 3.573 50 0 EHAARO c1[nH]nc(C2CC[NH+](Cc3ccncc3)CC2)c1Cc1ccccc1 ZINC000067724213 563962631 /nfs/dbraw/zinc/96/26/31/563962631.db2.gz DZLOTZYSSWSJCR-UHFFFAOYSA-N 1 0 332.451 3.775 50 0 EHAARO OCCCC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067743089 563962663 /nfs/dbraw/zinc/96/26/63/563962663.db2.gz NQUGPHKUKINTGN-UHFFFAOYSA-N 1 0 347.462 3.874 50 0 EHAARO COc1ccc(-c2nc(C[NH+]3CCCCC3)c(C)o2)c(OC)c1C ZINC000067787670 563962728 /nfs/dbraw/zinc/96/27/28/563962728.db2.gz GEDZQSDAAQRLOR-UHFFFAOYSA-N 1 0 330.428 3.962 50 0 EHAARO Cc1cc(NCc2cccnc2Oc2c(C)cccc2C)nc(N)[nH+]1 ZINC000067850495 563962897 /nfs/dbraw/zinc/96/28/97/563962897.db2.gz UPJAUIGKINLXTC-UHFFFAOYSA-N 1 0 335.411 3.783 50 0 EHAARO O[C@@H]1C[N@@H+](C2CCCCCCC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067869215 563962922 /nfs/dbraw/zinc/96/29/22/563962922.db2.gz SWXQUGBZCXALCG-ZWKOTPCHSA-N 1 0 331.456 3.678 50 0 EHAARO C[N@H+](CC[C@H]1CCCCO1)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067909146 563963050 /nfs/dbraw/zinc/96/30/50/563963050.db2.gz KBAKLLBSCIYWGP-MRXNPFEDSA-N 1 0 334.847 3.573 50 0 EHAARO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](C[C@H](C)CO)C2 ZINC000067934272 563963097 /nfs/dbraw/zinc/96/30/97/563963097.db2.gz GWNGQQWNPHZZIK-ZDUSSCGKSA-N 1 0 347.480 3.555 50 0 EHAARO CO[C@@H](C)c1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000067921233 563963110 /nfs/dbraw/zinc/96/31/10/563963110.db2.gz CLJYMTGZCWMNTO-KRWDZBQOSA-N 1 0 340.467 3.934 50 0 EHAARO CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(F)ccc(C)c3Cl)C2)C1 ZINC000067947970 563963171 /nfs/dbraw/zinc/96/31/71/563963171.db2.gz MFJYQOQWAJBBKZ-SFHVURJKSA-N 1 0 338.854 3.622 50 0 EHAARO COc1cc(-c2ccccc2)ccc1C[N@H+](C)C1CCS(=O)CC1 ZINC000097080845 563967235 /nfs/dbraw/zinc/96/72/35/563967235.db2.gz XHGGIRGSDOEMAG-UHFFFAOYSA-N 1 0 343.492 3.705 50 0 EHAARO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCCNc2cc[nH+]cc2)cc1 ZINC000097097362 563967464 /nfs/dbraw/zinc/96/74/64/563967464.db2.gz ADBBKOAATLLISX-WOJBJXKFSA-N 1 0 337.467 3.927 50 0 EHAARO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cc2cc(Cl)ccc2o1 ZINC000097034619 563971218 /nfs/dbraw/zinc/97/12/18/563971218.db2.gz IGDNKLINJRCIMZ-JTQLQIEISA-N 1 0 329.849 3.560 50 0 EHAARO CC(=O)N1CCC([NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000097081516 563972927 /nfs/dbraw/zinc/97/29/27/563972927.db2.gz VEOHLLVIBAOHFC-KRWDZBQOSA-N 1 0 326.843 3.777 50 0 EHAARO c1ccc(CC[N@@H+]2CCC[C@@H](CNc3cc(C4CC4)ncn3)C2)cc1 ZINC000091486118 563975426 /nfs/dbraw/zinc/97/54/26/563975426.db2.gz BMVDXCNOCGNPGY-SFHVURJKSA-N 1 0 336.483 3.721 50 0 EHAARO CC[C@@H]1CN(C(=O)c2cc3cccc(Cl)c3n2C)CC[N@@H+]1C(C)C ZINC000091416808 563975428 /nfs/dbraw/zinc/97/54/28/563975428.db2.gz GKSWCELAEIVZQK-OAHLLOKOSA-N 1 0 347.890 3.777 50 0 EHAARO COc1ccc([C@H](C)[N@H+](C)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000091678588 563975692 /nfs/dbraw/zinc/97/56/92/563975692.db2.gz PAMRQGHQBCBBGT-ZDUSSCGKSA-N 1 0 340.398 3.869 50 0 EHAARO COCCn1ccnc1[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000091808376 563975781 /nfs/dbraw/zinc/97/57/81/563975781.db2.gz PZGHAIGOKZGWSA-KRWDZBQOSA-N 1 0 345.512 3.501 50 0 EHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000092077553 563976037 /nfs/dbraw/zinc/97/60/37/563976037.db2.gz JDMIWNRSBLYJLL-LJQANCHMSA-N 1 0 326.484 3.515 50 0 EHAARO CCn1ccnc1[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000092107902 563976047 /nfs/dbraw/zinc/97/60/47/563976047.db2.gz NIIHSIPHEDFMAI-ZDUSSCGKSA-N 1 0 349.837 3.644 50 0 EHAARO CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 ZINC000095357532 563976760 /nfs/dbraw/zinc/97/67/60/563976760.db2.gz JORZKPWMBPKYPP-RBBKRZOGSA-N 1 0 335.495 3.740 50 0 EHAARO COc1ccc(NC(=O)N2CCC[N@@H+](C3CCCCC3)CC2)c(F)c1 ZINC000096164824 563979929 /nfs/dbraw/zinc/97/99/29/563979929.db2.gz ZGFXNEHTEQMTOO-UHFFFAOYSA-N 1 0 349.450 3.707 50 0 EHAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000097713678 563981792 /nfs/dbraw/zinc/98/17/92/563981792.db2.gz IYMKUHQLXYVTSR-LJQANCHMSA-N 1 0 325.456 3.533 50 0 EHAARO CC(C)CCSCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000084510797 563983279 /nfs/dbraw/zinc/98/32/79/563983279.db2.gz XIKSTYFDNAWION-UHFFFAOYSA-N 1 0 334.529 3.678 50 0 EHAARO CC(C)C[N@H+](C[C@@H](O)c1ccccc1)[C@H](C)c1nc(C2CC2)no1 ZINC000248237424 563983835 /nfs/dbraw/zinc/98/38/35/563983835.db2.gz MZKVMPOGWXOPGN-RHSMWYFYSA-N 1 0 329.444 3.700 50 0 EHAARO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C[N@H+](Cc2ccccn2)C2CC2)C1 ZINC000408518861 563993085 /nfs/dbraw/zinc/99/30/85/563993085.db2.gz GDGSUIRWKKWUCR-CVEARBPZSA-N 1 0 345.487 3.739 50 0 EHAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000408519230 563993091 /nfs/dbraw/zinc/99/30/91/563993091.db2.gz YBIDRYLDGYOMOP-LALPHHSUSA-N 1 0 328.378 3.537 50 0 EHAARO CC[C@H](C[NH+](C)C)NC(=O)c1cccc(-c2cccc(C(C)=O)c2)c1 ZINC000426503627 563996236 /nfs/dbraw/zinc/99/62/36/563996236.db2.gz WGODFZHQXJYJOC-HXUWFJFHSA-N 1 0 338.451 3.626 50 0 EHAARO O=C1Nc2ccc(F)cc2[C@@]12CC[NH2+][C@H]2c1ccc(F)c(Cl)c1 ZINC000061718723 564000408 /nfs/dbraw/zinc/00/04/08/564000408.db2.gz SFSASMOUQJJOHM-DOTOQJQBSA-N 1 0 334.753 3.543 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000017245218 564011475 /nfs/dbraw/zinc/01/14/75/564011475.db2.gz IESQPBKYIUAJGX-FXAWDEMLSA-N 1 0 325.452 3.968 50 0 EHAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC ZINC000004891714 564013927 /nfs/dbraw/zinc/01/39/27/564013927.db2.gz VJYRQBDVSYCBBN-UHFFFAOYSA-N 1 0 331.456 3.771 50 0 EHAARO [NH3+]CCc1c[nH]c2ccc(OC(=O)Nc3ccc(Cl)cc3)cc12 ZINC000003145131 564014086 /nfs/dbraw/zinc/01/40/86/564014086.db2.gz AZOIVJXRBKFFHR-UHFFFAOYSA-N 1 0 329.787 3.933 50 0 EHAARO CSCC[C@@H]([NH2+][C@H]1CCC12CCCC2)c1nnc2ccccn21 ZINC000189047678 564014568 /nfs/dbraw/zinc/01/45/68/564014568.db2.gz NNEGYBILKXPAAR-CABCVRRESA-N 1 0 330.501 3.836 50 0 EHAARO c1csc([C@@H]2CCCN2Cc2csc(-c3ncccn3)n2)c1 ZINC000051231148 564022684 /nfs/dbraw/zinc/02/26/84/564022684.db2.gz MTWKBRUQQJRAEN-ZDUSSCGKSA-N 1 0 328.466 3.999 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccncc1 ZINC000106830177 564026639 /nfs/dbraw/zinc/02/66/39/564026639.db2.gz YLLVFNMVCPYWCN-SFTDATJTSA-N 1 0 349.478 3.657 50 0 EHAARO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H](C)CC2)no1 ZINC000107346339 564026906 /nfs/dbraw/zinc/02/69/06/564026906.db2.gz PIMXOBBSCTZDSA-RDTXWAMCSA-N 1 0 327.428 3.785 50 0 EHAARO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000044891298 564027483 /nfs/dbraw/zinc/02/74/83/564027483.db2.gz REKDWOWKZCGERG-ZIAGYGMSSA-N 1 0 333.457 3.538 50 0 EHAARO Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000108171210 564028003 /nfs/dbraw/zinc/02/80/03/564028003.db2.gz BLDZPJHKJWLPGW-TZIWHRDSSA-N 1 0 330.516 3.958 50 0 EHAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485564 564028287 /nfs/dbraw/zinc/02/82/87/564028287.db2.gz GQEVWHPZQRHIRL-QRQLOZEOSA-N 1 0 349.478 3.538 50 0 EHAARO O=C(Nc1cccc(C[NH2+]Cc2ccncc2)c1)c1ccc(F)cc1 ZINC000048781106 564032218 /nfs/dbraw/zinc/03/22/18/564032218.db2.gz FWJUBKQBGGJXRL-UHFFFAOYSA-N 1 0 335.382 3.763 50 0 EHAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccccc1Cl ZINC000114203030 564032928 /nfs/dbraw/zinc/03/29/28/564032928.db2.gz CGBQOAWQQGGPEZ-MRXNPFEDSA-N 1 0 332.835 3.619 50 0 EHAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2C(F)(F)F)on1 ZINC000066391166 564033197 /nfs/dbraw/zinc/03/31/97/564033197.db2.gz OAEVOKSUQYOEQR-MNOVXSKESA-N 1 0 341.333 3.680 50 0 EHAARO C[N@H+](Cc1ccc2ccccc2c1)Cc1cc(=O)n2ccsc2n1 ZINC000008127069 564034746 /nfs/dbraw/zinc/03/47/46/564034746.db2.gz CQRGAGQCLCGFHG-UHFFFAOYSA-N 1 0 335.432 3.541 50 0 EHAARO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000222019857 564036668 /nfs/dbraw/zinc/03/66/68/564036668.db2.gz BHQMKURDJARWLI-UHFFFAOYSA-N 1 0 333.259 3.998 50 0 EHAARO Cc1ccc(C2(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000223388581 564039748 /nfs/dbraw/zinc/03/97/48/564039748.db2.gz LMFNSAMGAXRNLF-HXUWFJFHSA-N 1 0 348.490 3.665 50 0 EHAARO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1O ZINC000225424565 564046575 /nfs/dbraw/zinc/04/65/75/564046575.db2.gz IHJHWGUWYOBRFJ-RHSMWYFYSA-N 1 0 327.424 3.835 50 0 EHAARO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000225668280 564049224 /nfs/dbraw/zinc/04/92/24/564049224.db2.gz GVMGBYIZLTYKPN-FXAWDEMLSA-N 1 0 340.467 3.644 50 0 EHAARO Brc1cc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)cs1 ZINC000030918733 564049961 /nfs/dbraw/zinc/04/99/61/564049961.db2.gz GZCHWISQZDMFMM-UHFFFAOYSA-N 1 0 348.269 3.986 50 0 EHAARO C[C@@H](c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1)[NH+]1CCCC1 ZINC000426641420 564051433 /nfs/dbraw/zinc/05/14/33/564051433.db2.gz SRLAFUPDIDWAIX-HNNXBMFYSA-N 1 0 338.455 3.606 50 0 EHAARO Cc1sc([C@H](C)NC(=O)[C@@H]2CC[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000237457775 564051481 /nfs/dbraw/zinc/05/14/81/564051481.db2.gz TUKPBMQADGCXOI-GXFFZTMASA-N 1 0 349.887 3.559 50 0 EHAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)c2)n1 ZINC000252499364 564053512 /nfs/dbraw/zinc/05/35/12/564053512.db2.gz RZIGRMPGEBCEKR-SFHVURJKSA-N 1 0 335.455 3.592 50 0 EHAARO CC(C)C[NH2+]CCC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000004346239 564058128 /nfs/dbraw/zinc/05/81/28/564058128.db2.gz HGKFJXVQNJYWAF-UHFFFAOYSA-N 1 0 338.495 3.961 50 0 EHAARO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)c4cnccn4)CC3)c2c1 ZINC000184470683 564063330 /nfs/dbraw/zinc/06/33/30/564063330.db2.gz JGUITHCOPNRUST-CQSZACIVSA-N 1 0 336.439 3.907 50 0 EHAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000248380004 564063484 /nfs/dbraw/zinc/06/34/84/564063484.db2.gz OQLLYWLIHPTKFE-KXBFYZLASA-N 1 0 326.415 3.840 50 0 EHAARO C=C1[NH+]=C(N)S[C@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000001410006 564065357 /nfs/dbraw/zinc/06/53/57/564065357.db2.gz TXLCFGPLTWLGAM-LLVKDONJSA-N 1 0 331.224 3.543 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C(C)=O)s1)c1ccccc1 ZINC000012742995 564065507 /nfs/dbraw/zinc/06/55/07/564065507.db2.gz FBCBTGITNFFANR-MRXNPFEDSA-N 1 0 344.480 3.764 50 0 EHAARO C[N@H+](CCC(=O)N1CCCCC1)Cc1cccc(C(F)(F)F)c1 ZINC000053113337 564066733 /nfs/dbraw/zinc/06/67/33/564066733.db2.gz APIXLZYFYVLTBF-UHFFFAOYSA-N 1 0 328.378 3.540 50 0 EHAARO Cc1csc(=O)n1CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000084267986 564067614 /nfs/dbraw/zinc/06/76/14/564067614.db2.gz MRIXBZVLWGHEIQ-UHFFFAOYSA-N 1 0 330.497 3.563 50 0 EHAARO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000078870253 564069973 /nfs/dbraw/zinc/06/99/73/564069973.db2.gz JFRSRINCEVTWCK-BXUZGUMPSA-N 1 0 334.847 3.949 50 0 EHAARO C[S@](=O)c1ccc(C[NH2+]CC2(Sc3ccccc3)CC2)cc1 ZINC000085322917 564072657 /nfs/dbraw/zinc/07/26/57/564072657.db2.gz YLGNSYCXFPMFPO-JOCHJYFZSA-N 1 0 331.506 3.839 50 0 EHAARO CCc1nccn1CC1CCN(C(=O)Nc2c(F)cccc2F)CC1 ZINC000085436355 564073206 /nfs/dbraw/zinc/07/32/06/564073206.db2.gz GVTCMJYIWFFHCN-UHFFFAOYSA-N 1 0 348.397 3.668 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000078897505 564075184 /nfs/dbraw/zinc/07/51/84/564075184.db2.gz NYUFYUFJCPFYIJ-ABAIWWIYSA-N 1 0 346.368 3.581 50 0 EHAARO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C1 ZINC000129846482 564081716 /nfs/dbraw/zinc/08/17/16/564081716.db2.gz WDXMOROHCUQYNZ-HOTGVXAUSA-N 1 0 348.453 3.732 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000090667985 564085822 /nfs/dbraw/zinc/08/58/22/564085822.db2.gz KSXPNQOIEYQLMH-SJORKVTESA-N 1 0 339.483 3.966 50 0 EHAARO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccnc(OCC(F)F)c1)CCC2 ZINC000091411496 564087612 /nfs/dbraw/zinc/08/76/12/564087612.db2.gz CZYXBDZIFJDDER-GFCCVEGCSA-N 1 0 339.411 3.658 50 0 EHAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000242389226 564088534 /nfs/dbraw/zinc/08/85/34/564088534.db2.gz ZVIKUQAKSZZNHK-BBRMVZONSA-N 1 0 332.444 3.902 50 0 EHAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590794 564092588 /nfs/dbraw/zinc/09/25/88/564092588.db2.gz KVIUSGQCPPWZQT-UHFFFAOYSA-N 1 0 339.414 3.554 50 0 EHAARO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(C)n1C1CC1 ZINC000089575618 564092961 /nfs/dbraw/zinc/09/29/61/564092961.db2.gz NSAFRSMNOBIDJZ-VBKZILBWSA-N 1 0 331.504 3.680 50 0 EHAARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3cccs3)cc1)C2 ZINC000426612730 564094220 /nfs/dbraw/zinc/09/42/20/564094220.db2.gz XZVIXNNSWZKUPB-FQEVSTJZSA-N 1 0 340.492 3.973 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(C)s3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426689859 564094383 /nfs/dbraw/zinc/09/43/83/564094383.db2.gz LYFBFGAGKJTUEG-NZSAHSFTSA-N 1 0 335.513 3.995 50 0 EHAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000006877210 564100358 /nfs/dbraw/zinc/10/03/58/564100358.db2.gz PIWYWMPLRNOVQB-UHFFFAOYSA-N 1 0 333.451 3.802 50 0 EHAARO CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000065497461 564106511 /nfs/dbraw/zinc/10/65/11/564106511.db2.gz WOJMXVSOJDQDAG-ULKQQTICSA-N 1 0 348.490 3.740 50 0 EHAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000065592289 564108019 /nfs/dbraw/zinc/10/80/19/564108019.db2.gz YAAJYKPAVJIZKT-KRWDZBQOSA-N 1 0 335.451 3.591 50 0 EHAARO Cc1cc(N[C@H](C)Cc2ccsc2)cc(N2CC[NH+](C)CC2)c1 ZINC000170608793 564109735 /nfs/dbraw/zinc/10/97/35/564109735.db2.gz YNCMWPCCIFMYSH-MRXNPFEDSA-N 1 0 329.513 3.851 50 0 EHAARO O=C(NCC1(c2cccs2)CCCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000170615885 564110006 /nfs/dbraw/zinc/11/00/06/564110006.db2.gz WFLAORZCJJEMKH-MRXNPFEDSA-N 1 0 332.513 3.693 50 0 EHAARO COc1cccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000013325224 564111530 /nfs/dbraw/zinc/11/15/30/564111530.db2.gz YJFQKULLHWKFBE-UHFFFAOYSA-N 1 0 325.412 3.935 50 0 EHAARO c1ccc2c(c1)nc(-c1cccnc1)nc2NC1CC[NH+](C2CC2)CC1 ZINC000014327447 564112457 /nfs/dbraw/zinc/11/24/57/564112457.db2.gz KQRGAYJFMCYYKH-UHFFFAOYSA-N 1 0 345.450 3.731 50 0 EHAARO O=C(OC1CC[NH+](Cc2ccsc2)CC1)[C@H]1C[C@@H]1c1ccco1 ZINC000076090693 564115619 /nfs/dbraw/zinc/11/56/19/564115619.db2.gz NEMKGVDQXWCHIH-HOTGVXAUSA-N 1 0 331.437 3.652 50 0 EHAARO CCCOc1ccc(OCCOCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000002823748 564117026 /nfs/dbraw/zinc/11/70/26/564117026.db2.gz HPPAFXHZWSOYJV-QZTJIDSGSA-N 1 0 335.488 3.849 50 0 EHAARO C[C@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237426659 564117743 /nfs/dbraw/zinc/11/77/43/564117743.db2.gz ARUYYMKTPLOQMX-NHYWBVRUSA-N 1 0 337.250 3.913 50 0 EHAARO Cc1nc(-c2cccc(C(=O)O[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cs1 ZINC000252502976 564119857 /nfs/dbraw/zinc/11/98/57/564119857.db2.gz UWDUJTYKGHHOSE-SJORKVTESA-N 1 0 342.464 3.902 50 0 EHAARO C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252512387 564120163 /nfs/dbraw/zinc/12/01/63/564120163.db2.gz QBIAFLACXLVAPU-UXPWSPDFSA-N 1 0 341.499 3.796 50 0 EHAARO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065966857 564122649 /nfs/dbraw/zinc/12/26/49/564122649.db2.gz SRDUBKNCUUNEHH-HNNXBMFYSA-N 1 0 339.483 3.795 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1F ZINC000007850606 564124234 /nfs/dbraw/zinc/12/42/34/564124234.db2.gz JWMCHCGTUZDWNT-UHFFFAOYSA-N 1 0 326.415 3.742 50 0 EHAARO CCCc1cc(NCC[NH+](C)C)n2nc(C)c(-c3ccccc3)c2n1 ZINC000002440077 564135147 /nfs/dbraw/zinc/13/51/47/564135147.db2.gz DHPWMVRBNLIVTM-UHFFFAOYSA-N 1 0 337.471 3.631 50 0 EHAARO Cc1nc(CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000277100727 564137932 /nfs/dbraw/zinc/13/79/32/564137932.db2.gz TZBZBYJUQHRNGA-HOTGVXAUSA-N 1 0 340.851 3.906 50 0 EHAARO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000095377717 564139353 /nfs/dbraw/zinc/13/93/53/564139353.db2.gz HWZMMXOOLJOUJQ-UHFFFAOYSA-N 1 0 338.517 3.528 50 0 EHAARO c1cn(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc12 ZINC000095419291 564139818 /nfs/dbraw/zinc/13/98/18/564139818.db2.gz DKKITYXFKNDLBH-UHFFFAOYSA-N 1 0 348.494 3.681 50 0 EHAARO Cc1cc([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c(C)s1 ZINC000095419662 564139865 /nfs/dbraw/zinc/13/98/65/564139865.db2.gz IIMDDRFKLWLIJU-ZDUSSCGKSA-N 1 0 332.469 3.913 50 0 EHAARO c1cnn(-c2ncccc2C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000095420120 564139920 /nfs/dbraw/zinc/13/99/20/564139920.db2.gz NVYPSSKXSNCPAJ-SFHVURJKSA-N 1 0 346.434 3.803 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc2c(c1)CCC2 ZINC000095420592 564139940 /nfs/dbraw/zinc/13/99/40/564139940.db2.gz BGNOSORHEPVEAM-HNNXBMFYSA-N 1 0 343.492 3.571 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccc2c(c1)CCC2 ZINC000095420593 564139971 /nfs/dbraw/zinc/13/99/71/564139971.db2.gz BGNOSORHEPVEAM-OAHLLOKOSA-N 1 0 343.492 3.571 50 0 EHAARO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cncc(F)c1 ZINC000095421046 564140002 /nfs/dbraw/zinc/14/00/02/564140002.db2.gz POJUCCZQAXUCFV-OLZOCXBDSA-N 1 0 335.373 3.676 50 0 EHAARO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C)c1c(C)nn(C)c1C ZINC000095423450 564140199 /nfs/dbraw/zinc/14/01/99/564140199.db2.gz XIKBZGDBBPPIHC-RHSMWYFYSA-N 1 0 342.487 3.803 50 0 EHAARO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cncc(F)c1 ZINC000095968625 564143229 /nfs/dbraw/zinc/14/32/29/564143229.db2.gz JIYNKOMJAHWFOF-RJCAOGMDSA-N 1 0 349.450 3.802 50 0 EHAARO CCCC[C@H]([NH2+]CC(=O)NCCOC)c1ccc(Cl)cc1Cl ZINC000095974979 564143542 /nfs/dbraw/zinc/14/35/42/564143542.db2.gz DAYPGJUSZYNWHO-HNNXBMFYSA-N 1 0 347.286 3.577 50 0 EHAARO CC(C)COc1ccc(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000096003646 564144472 /nfs/dbraw/zinc/14/44/72/564144472.db2.gz LYBVSHZMABSEBV-YKSBVNFPSA-N 1 0 345.508 3.931 50 0 EHAARO C[N@H+](CCCCCO)CCOc1ccccc1Cc1ccccc1 ZINC000096026614 564144977 /nfs/dbraw/zinc/14/49/77/564144977.db2.gz LXSDRITVQNOVBJ-UHFFFAOYSA-N 1 0 327.468 3.751 50 0 EHAARO CC[NH+](CC)CCSC1=C(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000096027430 564144989 /nfs/dbraw/zinc/14/49/89/564144989.db2.gz NNRGTQSEKNJBGS-UHFFFAOYSA-N 1 0 345.917 3.891 50 0 EHAARO CC(C)C[N@H+](CN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000097029966 564149181 /nfs/dbraw/zinc/14/91/81/564149181.db2.gz QIUDTZHOSNICGY-CYBMUJFWSA-N 1 0 349.862 3.575 50 0 EHAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1c1ccncc1 ZINC000057154193 564153348 /nfs/dbraw/zinc/15/33/48/564153348.db2.gz XVGHNTYXVVEIBU-NRFANRHFSA-N 1 0 349.478 3.657 50 0 EHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1 ZINC000057318482 564153573 /nfs/dbraw/zinc/15/35/73/564153573.db2.gz WREFQIDRTBUGRR-GOSISDBHSA-N 1 0 329.444 3.898 50 0 EHAARO CCCC[N@H+](C)CCCNC(=O)CSCc1ccccc1Cl ZINC000003005891 564154315 /nfs/dbraw/zinc/15/43/15/564154315.db2.gz ARRHNTSRIVSGBF-UHFFFAOYSA-N 1 0 342.936 3.811 50 0 EHAARO CCC[NH+]1CCC(Nc2ccc(Cl)c(C[S@@](C)=O)c2)CC1 ZINC000132983590 564157504 /nfs/dbraw/zinc/15/75/04/564157504.db2.gz XAAOYCDZTRJALQ-NRFANRHFSA-N 1 0 328.909 3.505 50 0 EHAARO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](C)c1ccccc1 ZINC000003349378 564157537 /nfs/dbraw/zinc/15/75/37/564157537.db2.gz IXCXLGDLLRCSKO-HKUYNNGSSA-N 1 0 327.468 3.943 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cncc(F)c1 ZINC000670439497 564157669 /nfs/dbraw/zinc/15/76/69/564157669.db2.gz BTNVEIJOORRLNY-LJQANCHMSA-N 1 0 341.430 3.568 50 0 EHAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000058219042 564158094 /nfs/dbraw/zinc/15/80/94/564158094.db2.gz KEODVKSYSSGUQD-FQYNAJQUSA-N 1 0 338.495 3.739 50 0 EHAARO COc1ccccc1NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003434491 564158144 /nfs/dbraw/zinc/15/81/44/564158144.db2.gz SOZYGEVFHHKEJE-INIZCTEOSA-N 1 0 343.427 3.637 50 0 EHAARO CC(=O)NC1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000133692835 564159690 /nfs/dbraw/zinc/15/96/90/564159690.db2.gz KGQQRYGPPKQAPH-UYSNPLJNSA-N 1 0 346.368 3.856 50 0 EHAARO c1ccc(N2CCOCC2)c(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000066991479 564164903 /nfs/dbraw/zinc/16/49/03/564164903.db2.gz ZZSNBBPPUSFEBI-IBGZPJMESA-N 1 0 338.451 3.527 50 0 EHAARO C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000068344999 564167567 /nfs/dbraw/zinc/16/75/67/564167567.db2.gz SRDUBKNCUUNEHH-OAHLLOKOSA-N 1 0 339.483 3.795 50 0 EHAARO C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000068718196 564167644 /nfs/dbraw/zinc/16/76/44/564167644.db2.gz GUSPVNZQCIRZLJ-RYUDHWBXSA-N 1 0 329.271 3.553 50 0 EHAARO [NH3+][C@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccccc1 ZINC000429110211 564167935 /nfs/dbraw/zinc/16/79/35/564167935.db2.gz QBHZCFAGJRTCNL-LJQANCHMSA-N 1 0 336.460 3.748 50 0 EHAARO O=C(Cc1ccccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000040081356 564167962 /nfs/dbraw/zinc/16/79/62/564167962.db2.gz HWVOHCKCRMXTCO-UHFFFAOYSA-N 1 0 342.870 3.795 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000008940107 564168078 /nfs/dbraw/zinc/16/80/78/564168078.db2.gz PHYUWWKBPPUWRE-GOEBONIOSA-N 1 0 339.483 3.507 50 0 EHAARO O=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000040120635 564168224 /nfs/dbraw/zinc/16/82/24/564168224.db2.gz ICYYEJIQJICFTO-RBUKOAKNSA-N 1 0 343.471 3.756 50 0 EHAARO CC1CCC([NH+]2CCC(N(C)C(=O)Nc3cccnc3)CC2)CC1 ZINC000069414658 564169223 /nfs/dbraw/zinc/16/92/23/564169223.db2.gz IGOPHHAOGVGCGC-UHFFFAOYSA-N 1 0 330.476 3.588 50 0 EHAARO C[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCCC1 ZINC000040475926 564169739 /nfs/dbraw/zinc/16/97/39/564169739.db2.gz XAUMJFNOSWDATH-UHFFFAOYSA-N 1 0 342.262 3.935 50 0 EHAARO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000040528274 564170382 /nfs/dbraw/zinc/17/03/82/564170382.db2.gz REZYYXDTEFBQPW-IEBWSBKVSA-N 1 0 345.464 3.528 50 0 EHAARO c1ncn(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2Oc2cccnc2)n1 ZINC000069599144 564170835 /nfs/dbraw/zinc/17/08/35/564170835.db2.gz KHDCAVACIKIDPK-SFHVURJKSA-N 1 0 349.438 3.520 50 0 EHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccoc2C)CC1 ZINC000009471062 564173841 /nfs/dbraw/zinc/17/38/41/564173841.db2.gz GFXIIFWHTKKMOL-UHFFFAOYSA-N 1 0 347.846 3.636 50 0 EHAARO CC(C)C1CCC([NH+]2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000175928767 1019002780 /nfs/dbraw/zinc/00/27/80/1019002780.db2.gz BDZLTXPUHRINRG-DQVLVPHSSA-N 1 0 330.516 3.552 50 0 EHAARO C[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccc(C(F)(F)F)cc1 ZINC000290652643 1022143367 /nfs/dbraw/zinc/14/33/67/1022143367.db2.gz FLGMOYTVNKXHGP-LBPRGKRZSA-N 1 0 326.362 3.511 50 0 EHAARO C[C@@H](C(=O)N(C)Cc1cccc(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000510522229 1022627507 /nfs/dbraw/zinc/62/75/07/1022627507.db2.gz HODZHBHHOXPIIC-AWEZNQCLSA-N 1 0 342.405 3.928 50 0 EHAARO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237173815 1023081682 /nfs/dbraw/zinc/08/16/82/1023081682.db2.gz YEBTXAXAYJMUGW-HXUWFJFHSA-N 1 0 334.463 3.702 50 0 EHAARO c1cn(-c2ccc(-c3nc4c[nH]n(Cc5ccccc5)c-4n3)cc2)cn1 ZINC000102562748 1034243475 /nfs/dbraw/zinc/24/34/75/1034243475.db2.gz UCILXWKCXGLMAK-UHFFFAOYSA-N 1 0 340.390 3.660 50 0 EHAARO CCC[C@]1(COC)CCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000194939625 1035174926 /nfs/dbraw/zinc/17/49/26/1035174926.db2.gz GWAYSKFCUQJIGM-LJQANCHMSA-N 1 0 329.444 3.560 50 0 EHAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000023373046 1035246820 /nfs/dbraw/zinc/24/68/20/1035246820.db2.gz YTIXSRCGCNKUAF-OAQYLSRUSA-N 1 0 341.543 3.914 50 0 EHAARO C[NH+]1CCC(Cc2ccc(C(=O)NCC3CCCCC3)cc2)CC1 ZINC000257180840 1038409944 /nfs/dbraw/zinc/40/99/44/1038409944.db2.gz DXFHLKCYPPOLOW-UHFFFAOYSA-N 1 0 328.500 3.881 50 0 EHAARO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCC(Oc3cnccn3)CC1)CC2 ZINC000190159545 1038681672 /nfs/dbraw/zinc/68/16/72/1038681672.db2.gz VDFWQMQBYIEORY-HTWSVDAQSA-N 1 0 327.403 3.583 50 0 EHAARO c1ccc(-c2nc(CC[C@@H]3CCC[N@@H+]3Cc3cccnc3)no2)cc1 ZINC000675019827 1039883054 /nfs/dbraw/zinc/88/30/54/1039883054.db2.gz JXJSLPYILOYEJN-SFHVURJKSA-N 1 0 334.423 3.729 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)C=CCC2)Cc1ccccc1 ZINC000170612255 1040352584 /nfs/dbraw/zinc/35/25/84/1040352584.db2.gz INDZQJHJXRGTEQ-OAQYLSRUSA-N 1 0 334.463 3.549 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000014903565 1040433715 /nfs/dbraw/zinc/43/37/15/1040433715.db2.gz SAMPQRGSUFBHED-HHNLSAEISA-N 1 0 328.481 3.961 50 0 EHAARO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000137519635 1040769060 /nfs/dbraw/zinc/76/90/60/1040769060.db2.gz FYOBJCRHWKRNKK-CUYAVPTFSA-N 1 0 343.515 3.526 50 0 EHAARO C[C@H]([NH2+]C1CCN(C)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000888098544 1043261176 /nfs/dbraw/zinc/26/11/76/1043261176.db2.gz KJDPCRSTPWEPIE-NSHDSACASA-N 1 0 336.277 3.675 50 0 EHAARO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc2c(c1)OCO2 ZINC000154493747 1122667168 /nfs/dbraw/zinc/66/71/68/1122667168.db2.gz HEKPUIFJQAKCQD-AWEZNQCLSA-N 1 0 349.434 3.880 50 0 EHAARO Cc1nc(NC(=O)[C@@H]2CCC[NH2+]C2)sc1Cc1ccccc1Cl ZINC000154645263 1122755076 /nfs/dbraw/zinc/75/50/76/1122755076.db2.gz ITLHFAJNPRNULT-CYBMUJFWSA-N 1 0 349.887 3.634 50 0 EHAARO Cn1ccc2cc(C[NH+]3CCC(OCc4ccccn4)CC3)ccc21 ZINC000825640353 1131283678 /nfs/dbraw/zinc/28/36/78/1131283678.db2.gz CCDJGVWKUFXSEL-UHFFFAOYSA-N 1 0 335.451 3.755 50 0 EHAARO CCCC[NH2+][C@@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 ZINC000012203651 1129416904 /nfs/dbraw/zinc/41/69/04/1129416904.db2.gz VNBBTINCDACJLB-MRXNPFEDSA-N 1 0 330.451 3.826 50 0 EHAARO CC(C)C[N@H+](Cc1ccncc1)C1CN(C(=O)CCC2CCCC2)C1 ZINC000581775876 1132353353 /nfs/dbraw/zinc/35/33/53/1132353353.db2.gz ADZLKAIELPAFOT-UHFFFAOYSA-N 1 0 343.515 3.721 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000581788060 1132356409 /nfs/dbraw/zinc/35/64/09/1132356409.db2.gz RFAKJETVLANQAB-SFHVURJKSA-N 1 0 335.536 3.863 50 0 EHAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)c1ccccc1)CCO2 ZINC000581820049 1132375778 /nfs/dbraw/zinc/37/57/78/1132375778.db2.gz RONYHKHNGWOLEH-UHFFFAOYSA-N 1 0 338.451 3.563 50 0 EHAARO COc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585081435 1136967022 /nfs/dbraw/zinc/96/70/22/1136967022.db2.gz HIFVHYIODZUWRM-SFHVURJKSA-N 1 0 337.423 3.618 50 0 EHAARO CCCCN(Cc1nnc(C2CC2)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000585116287 1137005948 /nfs/dbraw/zinc/00/59/48/1137005948.db2.gz OXUFKLFBDKBYSR-UHFFFAOYSA-N 1 0 334.508 3.858 50 0 EHAARO CC1=NO[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000585133832 1137020274 /nfs/dbraw/zinc/02/02/74/1137020274.db2.gz XAGBFXJTOIINCX-MRXNPFEDSA-N 1 0 326.400 3.560 50 0 EHAARO CCc1cc2c(ncn(Cc3nc4cc(C)c(C)cc4[nH]3)c2=O)s1 ZINC000042496519 1137375082 /nfs/dbraw/zinc/37/50/82/1137375082.db2.gz BVGCAYKYTPCESM-UHFFFAOYSA-N 1 0 338.436 3.562 50 0 EHAARO COc1cccc2c1CC[C@@H]([NH2+]CCc1ccc(-n3cccn3)cc1)C2 ZINC000192438715 1137455661 /nfs/dbraw/zinc/45/56/61/1137455661.db2.gz WEJBCJCQHOAHSL-LJQANCHMSA-N 1 0 347.462 3.571 50 0 EHAARO CC(C)c1ccc(O[C@@H](C)C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000952845790 1137482481 /nfs/dbraw/zinc/48/24/81/1137482481.db2.gz WXHCLVIPGKNQCW-HNNXBMFYSA-N 1 0 340.458 3.896 50 0 EHAARO c1csc(CN2CCC[C@H]([NH2+]Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000952868795 1137482885 /nfs/dbraw/zinc/48/28/85/1137482885.db2.gz AXCFIKJQODGHKW-KRWDZBQOSA-N 1 0 325.481 3.984 50 0 EHAARO CC1(C)CC(CC(=O)Nc2cccc(-n3cccn3)c2)CC(C)(C)[NH2+]1 ZINC000952982250 1137485373 /nfs/dbraw/zinc/48/53/73/1137485373.db2.gz YIPVCPWXZSTPAD-UHFFFAOYSA-N 1 0 340.471 3.758 50 0 EHAARO OCC1(CCOc2ccccc2)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012300540 201836200 /nfs/dbraw/zinc/83/62/00/201836200.db2.gz IJRFBQHYRSGCEN-IBGZPJMESA-N 1 0 329.484 3.886 50 0 EHAARO CC(C)(C)[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000012381490 201842927 /nfs/dbraw/zinc/84/29/27/201842927.db2.gz YMFAQPKPDMLVLA-UHFFFAOYSA-N 1 0 327.424 3.925 50 0 EHAARO CCc1ccc2[nH]c3nc(SCC[NH+]4CCCCC4)nnc3c2c1 ZINC000013624498 201904420 /nfs/dbraw/zinc/90/44/20/201904420.db2.gz JJJIFAFWMFFZRY-UHFFFAOYSA-N 1 0 341.484 3.647 50 0 EHAARO CCOc1cc(CN2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)ccc1OC ZINC000019831780 202022653 /nfs/dbraw/zinc/02/26/53/202022653.db2.gz DXNPGRXEKLISFW-HKUYNNGSSA-N 1 0 346.515 3.790 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000020443264 202041257 /nfs/dbraw/zinc/04/12/57/202041257.db2.gz UZMUDPKMXJNPEM-GFCCVEGCSA-N 1 0 329.835 3.661 50 0 aggregator EHAARO COc1ccc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)o2)cc1Cl ZINC000020477314 202043881 /nfs/dbraw/zinc/04/38/81/202043881.db2.gz BZQORBIUJOEMMG-KRWDZBQOSA-N 1 0 346.858 3.792 50 0 EHAARO c1cn(CCC[NH+]2CCCCC2)nc1-c1cccc(-c2cncnc2)c1 ZINC000020784893 202054674 /nfs/dbraw/zinc/05/46/74/202054674.db2.gz KSMGFVATKRTBAZ-UHFFFAOYSA-N 1 0 347.466 3.883 50 0 EHAARO Cc1cc(C)n(-c2cccc(C[NH2+][C@@H]3COc4ccccc4C3)c2)n1 ZINC000020996104 202060298 /nfs/dbraw/zinc/06/02/98/202060298.db2.gz DCSPIPMWBUPBCF-IBGZPJMESA-N 1 0 333.435 3.582 50 0 EHAARO C[C@@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021783070 202070784 /nfs/dbraw/zinc/07/07/84/202070784.db2.gz OPZGAZGQEDUUDK-VQTJNVASSA-N 1 0 345.870 3.664 50 0 EHAARO CN(Cc1ccon1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000023541865 202105966 /nfs/dbraw/zinc/10/59/66/202105966.db2.gz SEPUIXINVCFTII-KRWDZBQOSA-N 1 0 347.890 3.715 50 0 EHAARO CCn1c(C)cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1=O ZINC000024022889 202111197 /nfs/dbraw/zinc/11/11/97/202111197.db2.gz GLWVVMWSKFOXKE-IBGZPJMESA-N 1 0 344.430 3.597 50 0 EHAARO CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027581342 202157789 /nfs/dbraw/zinc/15/77/89/202157789.db2.gz PEQMLNBCJXYRRG-INIZCTEOSA-N 1 0 344.480 3.714 50 0 EHAARO CC[C@@H]([NH2+][C@@H]1CCSc2c(F)cccc21)C(=O)Nc1cc(C)on1 ZINC000030504766 202196144 /nfs/dbraw/zinc/19/61/44/202196144.db2.gz WIZSOVOWABQGIY-ZIAGYGMSSA-N 1 0 349.431 3.666 50 0 EHAARO O=C(Nc1ccc2scnc2c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000187986748 236371980 /nfs/dbraw/zinc/37/19/80/236371980.db2.gz YAEKSXBMPULBOK-AWEZNQCLSA-N 1 0 344.484 3.636 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccccc3F)cc2)CC1 ZINC000032869845 202239140 /nfs/dbraw/zinc/23/91/40/202239140.db2.gz HUBIJBOPKQKTFL-UHFFFAOYSA-N 1 0 342.418 3.612 50 0 EHAARO Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000035404020 202302300 /nfs/dbraw/zinc/30/23/00/202302300.db2.gz LZMLLWOOFIFMAF-OAQYLSRUSA-N 1 0 347.462 3.652 50 0 EHAARO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103031 202315959 /nfs/dbraw/zinc/31/59/59/202315959.db2.gz GMJBHLDNUTZORM-HXUWFJFHSA-N 1 0 345.458 3.861 50 0 EHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCc1ccsc1 ZINC000036389797 202324523 /nfs/dbraw/zinc/32/45/23/202324523.db2.gz JYTAJSUWAVDRCH-MJGOQNOKSA-N 1 0 340.492 3.824 50 0 EHAARO Cc1nnc2n1C[C@@H](C[NH2+]Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000071877322 202352725 /nfs/dbraw/zinc/35/27/25/202352725.db2.gz WMWZCFCGPFQRCA-LJQANCHMSA-N 1 0 346.478 3.914 50 0 EHAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc2c1OCCO2 ZINC000075584102 202382572 /nfs/dbraw/zinc/38/25/72/202382572.db2.gz OWBUDVAYUWELNG-INIZCTEOSA-N 1 0 341.455 3.577 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000058416306 201143513 /nfs/dbraw/zinc/14/35/13/201143513.db2.gz RTNYIJGSKIKCGR-QGZVFWFLSA-N 1 0 342.487 3.613 50 0 EHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cn(C)c2ccccc12 ZINC000253403616 201186983 /nfs/dbraw/zinc/18/69/83/201186983.db2.gz HGUWLMAJNIIWLA-QFBILLFUSA-N 1 0 339.483 3.515 50 0 biogenic EHAARO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3[nH]c2=O)cc1 ZINC000097201210 201381767 /nfs/dbraw/zinc/38/17/67/201381767.db2.gz IWRNNMDTFZFPGC-HXUWFJFHSA-N 1 0 349.434 3.659 50 0 EHAARO O[C@H](COCc1ccccc1F)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993400 202677376 /nfs/dbraw/zinc/67/73/76/202677376.db2.gz IQXGCLGFGGGVNA-AZUAARDMSA-N 1 0 329.415 3.540 50 0 EHAARO CC(C)Cc1cn(C2CC[NH+](C[C@H](C)c3ccccc3)CC2)nn1 ZINC000055108868 202680392 /nfs/dbraw/zinc/68/03/92/202680392.db2.gz GHQNSLKQWNGPEU-KRWDZBQOSA-N 1 0 326.488 3.917 50 0 EHAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCc2ccccc21 ZINC000216118228 241165455 /nfs/dbraw/zinc/16/54/55/241165455.db2.gz UFWCVBKWCVWBGP-IBGZPJMESA-N 1 0 340.492 3.559 50 0 EHAARO O[C@]1(c2ccc(Cl)cc2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000000407420 201468878 /nfs/dbraw/zinc/46/88/78/201468878.db2.gz TURNCXIWHSWEIA-FQEVSTJZSA-N 1 0 341.862 3.990 50 0 EHAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(OC)c1OC ZINC000005322563 201646861 /nfs/dbraw/zinc/64/68/61/201646861.db2.gz ZATHUAACPPQTJN-UHFFFAOYSA-N 1 0 331.456 3.627 50 0 EHAARO Cc1ccc(OCC[NH+]2CCC([C@H](O)c3ccccn3)CC2)c(C)c1 ZINC000244659870 243055232 /nfs/dbraw/zinc/05/52/32/243055232.db2.gz HKDSARLCFQKTRT-NRFANRHFSA-N 1 0 340.467 3.523 50 0 EHAARO O=C(NC[C@@H]1CCCCC[NH2+]1)c1cc(N2CCCCC2)ccc1Cl ZINC000244763933 243076704 /nfs/dbraw/zinc/07/67/04/243076704.db2.gz OYDBBMILMRHMRS-HNNXBMFYSA-N 1 0 349.906 3.592 50 0 EHAARO COc1ccc2c(C[N@@H+]3CC[C@H](c4ccccc4)C3)cc(=O)oc2c1 ZINC000069664550 203033835 /nfs/dbraw/zinc/03/38/35/203033835.db2.gz RDNKQTPUSZYVAS-INIZCTEOSA-N 1 0 335.403 3.791 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(F)c2)CC1 ZINC000069558050 203018788 /nfs/dbraw/zinc/01/87/88/203018788.db2.gz CNNQPTVAYRUKSN-UHFFFAOYSA-N 1 0 327.403 3.584 50 0 EHAARO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)no1 ZINC000071762312 203111144 /nfs/dbraw/zinc/11/11/44/203111144.db2.gz OQIUQIJXGORTML-KGLIPLIRSA-N 1 0 346.862 3.825 50 0 EHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)o1 ZINC000072139130 203168494 /nfs/dbraw/zinc/16/84/94/203168494.db2.gz HVROTXWODHMZRS-OAHLLOKOSA-N 1 0 344.430 3.623 50 0 EHAARO Cc1cccc(-c2ncc(CN3CC([N@H+]4CCCC[C@@H]4C)C3)cn2)c1 ZINC000072143340 203168981 /nfs/dbraw/zinc/16/89/81/203168981.db2.gz XTAYQAUAADWLII-KRWDZBQOSA-N 1 0 336.483 3.511 50 0 EHAARO O=C1Nc2ccccc2[C@]12CCC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000072164401 203178191 /nfs/dbraw/zinc/17/81/91/203178191.db2.gz BQQGUHPTBSTXHP-OAQYLSRUSA-N 1 0 331.419 3.654 50 0 EHAARO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(F)c2)CC1 ZINC000072306055 203199232 /nfs/dbraw/zinc/19/92/32/203199232.db2.gz WSWZXQGXBFRWKJ-UHFFFAOYSA-N 1 0 341.430 3.954 50 0 EHAARO C[N@H+](Cc1ccc2nsnc2c1)Cc1cccc(-n2cccn2)c1 ZINC000072457857 203227610 /nfs/dbraw/zinc/22/76/10/203227610.db2.gz NATLIRFUQRFTKR-UHFFFAOYSA-N 1 0 335.436 3.509 50 0 EHAARO Cn1c(C(=O)N2CCCC[C@@H]2CC[NH+](C)C)ccc1-c1ccccc1 ZINC000072462895 203227797 /nfs/dbraw/zinc/22/77/97/203227797.db2.gz WDEFKTPVORKGMI-GOSISDBHSA-N 1 0 339.483 3.639 50 0 EHAARO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000075142629 203307546 /nfs/dbraw/zinc/30/75/46/203307546.db2.gz RHEBITLETBOUKH-MAUKXSAKSA-N 1 0 326.440 3.571 50 0 EHAARO c1nc(-c2ccccc2)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)s1 ZINC000077287175 203376798 /nfs/dbraw/zinc/37/67/98/203376798.db2.gz RUGCWMMWYONSJS-MRXNPFEDSA-N 1 0 344.480 3.628 50 0 EHAARO O=C(c1ccc([C@H]2CCC[NH2+]2)s1)N1CCC(c2ccncc2)CC1 ZINC000077303479 203380603 /nfs/dbraw/zinc/38/06/03/203380603.db2.gz HFIYEIQHWAXZSK-MRXNPFEDSA-N 1 0 341.480 3.587 50 0 EHAARO c1cnn(CCC2CC[NH+](Cc3cnc(CC4CCCC4)[nH]3)CC2)c1 ZINC000077356583 203383216 /nfs/dbraw/zinc/38/32/16/203383216.db2.gz JKUXQLSHZIMCPD-UHFFFAOYSA-N 1 0 341.503 3.641 50 0 EHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077357599 203383519 /nfs/dbraw/zinc/38/35/19/203383519.db2.gz BXAQUBPULRURCR-KRWDZBQOSA-N 1 0 329.492 3.657 50 0 EHAARO c1coc(-c2cccc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)c2)c1 ZINC000077471752 203390210 /nfs/dbraw/zinc/39/02/10/203390210.db2.gz LCLHOUFZXLVLLS-HXUWFJFHSA-N 1 0 340.467 3.633 50 0 EHAARO Cc1nc(C)c(Cn2ccnc2-c2cc(C[NH+](C)C)cs2)s1 ZINC000077517970 203393076 /nfs/dbraw/zinc/39/30/76/203393076.db2.gz BBGLQWBZQWLKQO-UHFFFAOYSA-N 1 0 332.498 3.795 50 0 EHAARO COc1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000089432689 203577602 /nfs/dbraw/zinc/57/76/02/203577602.db2.gz AVQRSXCEGMQWEE-JQHSSLGASA-N 1 0 335.875 3.828 50 0 EHAARO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCC(F)(F)F ZINC000089930190 203604294 /nfs/dbraw/zinc/60/42/94/203604294.db2.gz MBMUSJSHTBPAGU-KBPBESRZSA-N 1 0 342.405 3.602 50 0 EHAARO Cc1ccc(Br)cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000095946255 203772176 /nfs/dbraw/zinc/77/21/76/203772176.db2.gz YDPATUFBKOJLFA-UHFFFAOYSA-N 1 0 342.281 3.563 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@@H](C)C[C@@H](O)c3ccccc3)CC2)n1 ZINC000095978061 203782670 /nfs/dbraw/zinc/78/26/70/203782670.db2.gz NPIMJQACTMELJZ-KBXCAEBGSA-N 1 0 345.512 3.522 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cl)c1F)c1cccs1 ZINC000043450617 204273407 /nfs/dbraw/zinc/27/34/07/204273407.db2.gz YFWFTMQWCVZCRJ-LBPRGKRZSA-N 1 0 341.839 3.965 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000047038647 204336206 /nfs/dbraw/zinc/33/62/06/204336206.db2.gz LDYAAIHAQWIREY-ZIAGYGMSSA-N 1 0 340.870 3.967 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000047416281 204338220 /nfs/dbraw/zinc/33/82/20/204338220.db2.gz VJHJXSPYGDBIEP-CHWSQXEVSA-N 1 0 326.843 3.577 50 0 EHAARO CC[C@H](C)Oc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1 ZINC000155793922 206035895 /nfs/dbraw/zinc/03/58/95/206035895.db2.gz TXWMFEWPNHRFCQ-INIZCTEOSA-N 1 0 343.471 3.732 50 0 EHAARO Brc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000004985650 206497855 /nfs/dbraw/zinc/49/78/55/206497855.db2.gz CYENNPXAFDJUIP-UHFFFAOYSA-N 1 0 337.305 3.899 50 0 EHAARO CC[NH2+]Cc1cccc(NC(=O)c2sccc2Br)c1 ZINC000108657550 206529506 /nfs/dbraw/zinc/52/95/06/206529506.db2.gz IJLKKFCFOZUNPN-UHFFFAOYSA-N 1 0 339.258 3.872 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(F)cc1Cl ZINC000095419761 218359315 /nfs/dbraw/zinc/35/93/15/218359315.db2.gz AZSPKAFOKPMQSB-CYBMUJFWSA-N 1 0 344.821 3.970 50 0 EHAARO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc2ccccc2n1 ZINC000095422225 218364267 /nfs/dbraw/zinc/36/42/67/218364267.db2.gz KLFZYGPTEBLUNK-IIBYNOLFSA-N 1 0 347.462 3.585 50 0 EHAARO O=C(CC[NH+]1CCCCC1)Nc1cccc(NCc2ccco2)c1 ZINC000095429075 218371717 /nfs/dbraw/zinc/37/17/17/218371717.db2.gz MWOIVKWUMNBRND-UHFFFAOYSA-N 1 0 327.428 3.706 50 0 EHAARO COc1cccc(-c2cnc(-c3cccnc3)nc2[C@H]2CCC[NH2+]C2)c1 ZINC000299778113 258087731 /nfs/dbraw/zinc/08/77/31/258087731.db2.gz PSHGGMLQAIHGEJ-INIZCTEOSA-N 1 0 346.434 3.681 50 0 EHAARO CC[C@H](C)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 ZINC000055060982 132193243 /nfs/dbraw/zinc/19/32/43/132193243.db2.gz HQIAKMYEODCDRY-JKSUJKDBSA-N 1 0 329.488 3.559 50 0 EHAARO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000055544071 132196127 /nfs/dbraw/zinc/19/61/27/132196127.db2.gz ZQXRQPTYOWAKSV-UHFFFAOYSA-N 1 0 330.859 3.979 50 0 EHAARO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@@]23C1=O ZINC000012713583 518190933 /nfs/dbraw/zinc/19/09/33/518190933.db2.gz WEZSNFXBQNPHJX-FUDKSRODSA-N 1 0 346.474 3.933 50 0 EHAARO CC(C)[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000000066593 519684508 /nfs/dbraw/zinc/68/45/08/519684508.db2.gz UBRIEFQYAOTSQP-UHFFFAOYSA-N 1 0 338.480 3.889 50 0 EHAARO C[N@H+](CCCNC(=O)c1ccccc1OC(F)F)Cc1ccccc1 ZINC000025553206 522770301 /nfs/dbraw/zinc/77/03/01/522770301.db2.gz SBTCRBIWZITGLY-UHFFFAOYSA-N 1 0 348.393 3.540 50 0 EHAARO CCOc1ccccc1NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229636481 535530916 /nfs/dbraw/zinc/53/09/16/535530916.db2.gz UTJTUYYUZBDINL-BZUAXINKSA-N 1 0 333.476 3.573 50 0 EHAARO COc1ccc(F)c(F)c1C[N@@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000216214896 536599416 /nfs/dbraw/zinc/59/94/16/536599416.db2.gz FJZLMLSRFYFARS-AWEZNQCLSA-N 1 0 335.398 3.615 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@]3(CCCO3)CC2)cc(Cl)c1OC ZINC000215416163 536754609 /nfs/dbraw/zinc/75/46/09/536754609.db2.gz GCDXTPZESBGCPY-GOSISDBHSA-N 1 0 339.863 3.892 50 0 EHAARO COc1ccc(SC[C@H](O)C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000000108743 563229009 /nfs/dbraw/zinc/22/90/09/563229009.db2.gz VADJDVLFKQUAKK-OAHLLOKOSA-N 1 0 337.872 3.591 50 0 EHAARO C[NH+](C)CCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000000112185 563229982 /nfs/dbraw/zinc/22/99/82/563229982.db2.gz WAZQPMOJYKQVKE-UHFFFAOYSA-N 1 0 326.831 3.924 50 0 EHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000239647 563264975 /nfs/dbraw/zinc/26/49/75/563264975.db2.gz SSZGFUHBLYAGJB-OAHLLOKOSA-N 1 0 342.405 3.786 50 0 EHAARO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccccc1 ZINC000000360104 563293388 /nfs/dbraw/zinc/29/33/88/563293388.db2.gz JBPDYZAYTXQVAY-IBGZPJMESA-N 1 0 341.451 3.933 50 0 EHAARO CCOc1ccc([C@@]2(C)N(O)[C@@H](CC)C(c3ccccc3)[N+]2=O)cc1 ZINC000000460207 563326115 /nfs/dbraw/zinc/32/61/15/563326115.db2.gz ZDBDMQMQRXWMFY-ICSRJNTNSA-N 1 0 340.423 3.741 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000001408185 563388245 /nfs/dbraw/zinc/38/82/45/563388245.db2.gz NFLCLMQFIWHNOP-CYBMUJFWSA-N 1 0 332.194 3.840 50 0 EHAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3ccc(F)cc3Cl)c2)C1 ZINC000584901880 563417203 /nfs/dbraw/zinc/41/72/03/563417203.db2.gz DACWBWCOGWFGTH-INIZCTEOSA-N 1 0 346.833 3.922 50 0 EHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3ccc(F)cc3Cl)c2)C1 ZINC000584901881 563417300 /nfs/dbraw/zinc/41/73/00/563417300.db2.gz DACWBWCOGWFGTH-MRXNPFEDSA-N 1 0 346.833 3.922 50 0 EHAARO C[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)[NH+]1CCCCCC1 ZINC000004510891 563503931 /nfs/dbraw/zinc/50/39/31/563503931.db2.gz BAWJYYKAXLBQTP-INIZCTEOSA-N 1 0 331.481 3.878 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)o1 ZINC000004592190 563505815 /nfs/dbraw/zinc/50/58/15/563505815.db2.gz AHKUJDNAMPTOQC-UHFFFAOYSA-N 1 0 346.858 3.770 50 0 EHAARO COc1cc(C[NH2+]Cc2cccs2)cc(Br)c1OC ZINC000004670839 563507228 /nfs/dbraw/zinc/50/72/28/563507228.db2.gz NAXQTHSJIXSZPN-UHFFFAOYSA-N 1 0 342.258 3.818 50 0 EHAARO Cc1cc(Cl)cc(Br)c1OCC[NH2+]C[C@@H]1CCCO1 ZINC000004870151 563514725 /nfs/dbraw/zinc/51/47/25/563514725.db2.gz DQOZTKHUZLYITD-LBPRGKRZSA-N 1 0 348.668 3.558 50 0 EHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1cccc(C)c1 ZINC000005019347 563518948 /nfs/dbraw/zinc/51/89/48/563518948.db2.gz SIHMHIXGRSYBON-IBGZPJMESA-N 1 0 341.451 3.851 50 0 EHAARO Fc1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000005041230 563519340 /nfs/dbraw/zinc/51/93/40/563519340.db2.gz UTZOEIUUDJECTA-UHFFFAOYSA-N 1 0 343.471 3.777 50 0 EHAARO CN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2)N3)C1 ZINC000005151284 563521217 /nfs/dbraw/zinc/52/12/17/563521217.db2.gz LDTFDSOEKZQFEV-LZNQSLFOSA-N 1 0 325.437 3.506 50 0 EHAARO C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000006703203 563580792 /nfs/dbraw/zinc/58/07/92/563580792.db2.gz IAHBXAQLRIVBSD-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO Cc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002966197 563624295 /nfs/dbraw/zinc/62/42/95/563624295.db2.gz CTSDKNYMHKHBBJ-FQEVSTJZSA-N 1 0 341.862 3.909 50 0 EHAARO Cc1ccc(COc2ccc(C[NH2+]CCCn3ccnc3)cc2)cc1 ZINC000010314117 563646962 /nfs/dbraw/zinc/64/69/62/563646962.db2.gz RMXHLZLKUDHIOU-UHFFFAOYSA-N 1 0 335.451 3.950 50 0 EHAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCO)c(C)o2)cc1C ZINC000012027349 563652645 /nfs/dbraw/zinc/65/26/45/563652645.db2.gz HUXPGTPXQYKVSZ-KRWDZBQOSA-N 1 0 344.455 3.704 50 0 EHAARO c1ccc(Oc2ncccc2C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000012307708 563657581 /nfs/dbraw/zinc/65/75/81/563657581.db2.gz JNXWHZGWXVBRSI-UHFFFAOYSA-N 1 0 348.402 3.935 50 0 EHAARO Cn1cc(C[N@H+](C)C[C@H]2CCCCO2)c(-c2cccc(Cl)c2)n1 ZINC000012314836 563657598 /nfs/dbraw/zinc/65/75/98/563657598.db2.gz BDSFAKYLCPRPRS-QGZVFWFLSA-N 1 0 333.863 3.741 50 0 EHAARO CC(C)c1ccccc1OC(C)(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000012383099 563659379 /nfs/dbraw/zinc/65/93/79/563659379.db2.gz VWGOYKURPPQMLK-UHFFFAOYSA-N 1 0 346.515 3.956 50 0 EHAARO c1ccc(-c2nc3c(c(N4CC[NH+](C5CCCC5)CC4)n2)CCC3)cc1 ZINC000012387389 563659718 /nfs/dbraw/zinc/65/97/18/563659718.db2.gz ASXFYKWNMRLDEI-UHFFFAOYSA-N 1 0 348.494 3.697 50 0 EHAARO OCC1(Cc2ccc(Cl)cc2)CC[NH+](Cc2cccnc2)CC1 ZINC000012449406 563661080 /nfs/dbraw/zinc/66/10/80/563661080.db2.gz OZSWFCSAEYSBMJ-UHFFFAOYSA-N 1 0 330.859 3.552 50 0 EHAARO CN1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)CC1 ZINC000032611352 563665390 /nfs/dbraw/zinc/66/53/90/563665390.db2.gz IMKOCFWOQJDHEP-UHFFFAOYSA-N 1 0 329.252 3.596 50 0 EHAARO Cc1ccc(-n2ncc3c2ncnc3NCCc2ccccc2)cc1 ZINC000004354851 563665704 /nfs/dbraw/zinc/66/57/04/563665704.db2.gz SNSMHFATIROEEI-UHFFFAOYSA-N 1 0 329.407 3.779 50 0 EHAARO C[NH+](C)CCN(C(=O)C1CCCCC1)c1nc2c(cccc2F)s1 ZINC000004359281 563668185 /nfs/dbraw/zinc/66/81/85/563668185.db2.gz DMIAQXSMJAUEKF-UHFFFAOYSA-N 1 0 349.475 3.910 50 0 EHAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccco3)sc2c(C)c1 ZINC000004359401 563668276 /nfs/dbraw/zinc/66/82/76/563668276.db2.gz MWXMNUAHZVROBY-UHFFFAOYSA-N 1 0 343.452 3.715 50 0 EHAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@H]3CCc4ccccc43)nc(=O)c2c1C ZINC000014158758 563745610 /nfs/dbraw/zinc/74/56/10/563745610.db2.gz UANIRZWBPZCKLM-NHYWBVRUSA-N 1 0 339.464 3.940 50 0 EHAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]C3CCSCC3)c2C)cc1 ZINC000015067869 563775573 /nfs/dbraw/zinc/77/55/73/563775573.db2.gz REWFDLHNUMVACR-CYBMUJFWSA-N 1 0 331.485 3.736 50 0 EHAARO C[C@@H](c1cccs1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167009 563856509 /nfs/dbraw/zinc/85/65/09/563856509.db2.gz BOTLDFFQHMDJME-GJZGRUSLSA-N 1 0 347.484 3.881 50 0 EHAARO Cc1nc(NCc2cc(-c3ccccc3)no2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000039518798 563922687 /nfs/dbraw/zinc/92/26/87/563922687.db2.gz FXMIIKPDXUVRIQ-MRXNPFEDSA-N 1 0 349.438 3.519 50 0 EHAARO CCCCC(=O)Nc1ccc(C(=O)N(CC)CC[NH+](CC)CC)cc1 ZINC000055306997 563934304 /nfs/dbraw/zinc/93/43/04/563934304.db2.gz MMVDTQPCGLLXHM-UHFFFAOYSA-N 1 0 347.503 3.619 50 0 EHAARO O=C(CSCc1ccncc1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000058118676 563937536 /nfs/dbraw/zinc/93/75/36/563937536.db2.gz SKWTWWYORIJMHM-UHFFFAOYSA-N 1 0 341.480 3.549 50 0 EHAARO COc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000058164899 563938673 /nfs/dbraw/zinc/93/86/73/563938673.db2.gz RVLFPHAHJRLWTH-NSHDSACASA-N 1 0 336.794 3.605 50 0 EHAARO COc1c(C[NH2+][C@H](c2ccc(OC)cc2)C2CC2)c(C(C)C)nn1C ZINC000058405337 563944959 /nfs/dbraw/zinc/94/49/59/563944959.db2.gz IABNGTQYJKYKIT-IBGZPJMESA-N 1 0 343.471 3.802 50 0 EHAARO O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)N1CCCc2ccccc21 ZINC000058420848 563945831 /nfs/dbraw/zinc/94/58/31/563945831.db2.gz UGNANZMNDFQOFQ-IBGZPJMESA-N 1 0 336.435 3.509 50 0 EHAARO Cc1ccc(CC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1 ZINC000058429944 563946200 /nfs/dbraw/zinc/94/62/00/563946200.db2.gz JZFSFKCKANPWPR-MRXNPFEDSA-N 1 0 337.467 3.803 50 0 EHAARO C[C@@H](c1ccc(-c2ccc3c(c2)OCCC3=O)cc1)[NH+]1CCOCC1 ZINC000065383865 563959190 /nfs/dbraw/zinc/95/91/90/563959190.db2.gz FGMKIFUSTGOTJC-HNNXBMFYSA-N 1 0 337.419 3.712 50 0 EHAARO Cc1ccccc1-n1cc(C2=CC[N@H+](CCc3ccccn3)CC2)cn1 ZINC000065464581 563961274 /nfs/dbraw/zinc/96/12/74/563961274.db2.gz FFJRXYRWIUIBCC-UHFFFAOYSA-N 1 0 344.462 3.908 50 0 EHAARO C[NH+](C)Cc1ccc(Oc2cc(C(=O)N3CCCCC3)ccn2)cc1 ZINC000067673297 563962446 /nfs/dbraw/zinc/96/24/46/563962446.db2.gz UZXSPWKMVKDOSB-UHFFFAOYSA-N 1 0 339.439 3.562 50 0 EHAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)Cc3sccc3C)cc2c1 ZINC000067713637 563962536 /nfs/dbraw/zinc/96/25/36/563962536.db2.gz OUZBACWXXAPWIW-UHFFFAOYSA-N 1 0 328.437 3.539 50 0 EHAARO COc1ccc(C[C@@H]2CC[C@H](C[NH+]3CCCC3)O2)cc1C(F)(F)F ZINC000067697017 563962542 /nfs/dbraw/zinc/96/25/42/563962542.db2.gz MZPFUQWUDYAEJB-LSDHHAIUSA-N 1 0 343.389 3.900 50 0 EHAARO Cc1ccc(CN(C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)o1 ZINC000011217516 563962643 /nfs/dbraw/zinc/96/26/43/563962643.db2.gz NJDIYGMCJAOXOZ-IBGZPJMESA-N 1 0 332.419 3.672 50 0 EHAARO CCN(C)C(=O)c1ccc(Oc2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000067803938 563962787 /nfs/dbraw/zinc/96/27/87/563962787.db2.gz GAQGHXABSKZTHT-UHFFFAOYSA-N 1 0 339.439 3.562 50 0 EHAARO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)[C@H](c3ccccn3)C3CC3)cc2c1 ZINC000067834329 563962894 /nfs/dbraw/zinc/96/28/94/563962894.db2.gz ZBGJALMCZSWOCY-FQEVSTJZSA-N 1 0 333.435 3.815 50 0 EHAARO Cc1nc2c(c(NCc3ccccc3-c3ccccc3)n1)CC[NH2+]C2 ZINC000067854811 563962944 /nfs/dbraw/zinc/96/29/44/563962944.db2.gz YIMRORDBOLONLA-UHFFFAOYSA-N 1 0 330.435 3.710 50 0 EHAARO Clc1c2ccccc2sc1CNc1ncnc2c1CC[NH2+]C2 ZINC000067880937 563962968 /nfs/dbraw/zinc/96/29/68/563962968.db2.gz HGMXLJGABWPGGF-UHFFFAOYSA-N 1 0 330.844 3.603 50 0 EHAARO CSc1ccc(-c2nc(CN3CCC[C@@H](C[NH3+])C3)c(C)o2)cc1 ZINC000067935126 563963078 /nfs/dbraw/zinc/96/30/78/563963078.db2.gz NZUFBPWDRBJYSY-AWEZNQCLSA-N 1 0 331.485 3.543 50 0 EHAARO CC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(F)ccc(C)c3Cl)C2)C1 ZINC000067947969 563963130 /nfs/dbraw/zinc/96/31/30/563963130.db2.gz MFJYQOQWAJBBKZ-GOSISDBHSA-N 1 0 338.854 3.622 50 0 EHAARO CCCC[NH2+]Cc1ccccc1OCC(=O)Nc1ccccc1OC ZINC000004670868 563963606 /nfs/dbraw/zinc/96/36/06/563963606.db2.gz MCMOPGNXKSFALF-UHFFFAOYSA-N 1 0 342.439 3.602 50 0 EHAARO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C(=O)Nc2ncccn2)CC1 ZINC000060478750 563963717 /nfs/dbraw/zinc/96/37/17/563963717.db2.gz KKSFZCPEWKQVNT-ZDUSSCGKSA-N 1 0 344.846 3.542 50 0 EHAARO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000097034441 563966933 /nfs/dbraw/zinc/96/69/33/563966933.db2.gz QAALMNGLMABZJY-KSZLIROESA-N 1 0 345.487 3.510 50 0 EHAARO Clc1cnccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000097034218 563966948 /nfs/dbraw/zinc/96/69/48/563966948.db2.gz QPVLWHVRRCCJKT-SFHVURJKSA-N 1 0 330.815 3.747 50 0 EHAARO Fc1cc(F)cc(CN2C[C@H](n3ccnc3)Cc3ccccc32)c1 ZINC000097059039 563971894 /nfs/dbraw/zinc/97/18/94/563971894.db2.gz SFJKEJUKGLPVRJ-GOSISDBHSA-N 1 0 325.362 3.965 50 0 EHAARO CCc1ccccc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082115321 563972398 /nfs/dbraw/zinc/97/23/98/563972398.db2.gz FPNSVDKSBHPHBO-UHFFFAOYSA-N 1 0 335.451 3.648 50 0 EHAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000091575360 563975544 /nfs/dbraw/zinc/97/55/44/563975544.db2.gz BDXLJLYTOBYRGH-IBGZPJMESA-N 1 0 332.875 3.565 50 0 EHAARO CC(C)c1cc([C@H]2CCCN2Cc2cc(=O)c3ccccc3[nH]2)no1 ZINC000091663845 563975641 /nfs/dbraw/zinc/97/56/41/563975641.db2.gz CJMKDEMEESHCKJ-GOSISDBHSA-N 1 0 337.423 3.977 50 0 EHAARO CCc1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ncn1 ZINC000095390922 563976905 /nfs/dbraw/zinc/97/69/05/563976905.db2.gz SEWMCQCPCLJOSF-KRWDZBQOSA-N 1 0 330.863 3.941 50 0 EHAARO Cc1cccc(CSCCCNC(=O)[C@@H]2CCCCC[N@H+]2C)c1 ZINC000095383199 563976936 /nfs/dbraw/zinc/97/69/36/563976936.db2.gz GYXFMXXBGUFCGS-SFHVURJKSA-N 1 0 334.529 3.609 50 0 EHAARO COc1ccc(NC(=O)NC[C@@H](c2cccc(C)c2)[NH+](C)C)c(C)c1 ZINC000096166029 563979986 /nfs/dbraw/zinc/97/99/86/563979986.db2.gz GBPSMEYDLWIZBJ-IBGZPJMESA-N 1 0 341.455 3.736 50 0 EHAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000247746190 563981334 /nfs/dbraw/zinc/98/13/34/563981334.db2.gz RPOMHHYLUHXVNV-AEFFLSMTSA-N 1 0 335.444 3.602 50 0 EHAARO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000100009785 563982262 /nfs/dbraw/zinc/98/22/62/563982262.db2.gz IUOWKWOLHMLRTR-BBWFWOEESA-N 1 0 345.487 3.885 50 0 EHAARO C[C@@H](c1ccncc1)N(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000000263861 563989842 /nfs/dbraw/zinc/98/98/42/563989842.db2.gz QUZMSUDUQVLPDK-AWEZNQCLSA-N 1 0 346.862 3.892 50 0 EHAARO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000408515996 563992852 /nfs/dbraw/zinc/99/28/52/563992852.db2.gz DMPUUBYENNJPLH-KKXDTOCCSA-N 1 0 349.425 3.622 50 0 EHAARO COc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)cc1O ZINC000061556521 563994558 /nfs/dbraw/zinc/99/45/58/563994558.db2.gz UGDKGEOXMVIJJV-UHFFFAOYSA-N 1 0 349.814 3.505 50 0 EHAARO C[C@@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC[N@@H+]1C ZINC000182863369 564001268 /nfs/dbraw/zinc/00/12/68/564001268.db2.gz WOAVPRXAFSJWMU-APWZRJJASA-N 1 0 344.503 3.989 50 0 EHAARO C[NH2+][C@@H](C(=O)c1ccc(Br)cc1)[C@@H](OC)c1ccccc1 ZINC000061886115 564002264 /nfs/dbraw/zinc/00/22/64/564002264.db2.gz YPTXQQNKIBOVCU-RDJZCZTQSA-N 1 0 348.240 3.608 50 0 EHAARO CC(C)Oc1ccc(NC(=O)NCC2=CC[N@H+](C)CC2)c(Cl)c1 ZINC000275381335 564008764 /nfs/dbraw/zinc/00/87/64/564008764.db2.gz BHSZAYVFCRGZBV-UHFFFAOYSA-N 1 0 337.851 3.511 50 0 EHAARO c1ccc(N2CC[NH+](Cn3c4ccccc4c4ccccc43)CC2)nc1 ZINC000017246145 564011446 /nfs/dbraw/zinc/01/14/46/564011446.db2.gz BMXPWCAQUZNXIF-UHFFFAOYSA-N 1 0 342.446 3.969 50 0 EHAARO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000047301929 564026114 /nfs/dbraw/zinc/02/61/14/564026114.db2.gz CGPLTZSHPYKGJB-SFHVURJKSA-N 1 0 336.479 3.819 50 0 EHAARO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000003441481 564026347 /nfs/dbraw/zinc/02/63/47/564026347.db2.gz ORYSDSTYPZRZIM-RYRKJORJSA-N 1 0 337.891 3.730 50 0 EHAARO C[C@@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000044907009 564027688 /nfs/dbraw/zinc/02/76/88/564027688.db2.gz CCKZOZYBPJBTJE-QMMMGPOBSA-N 1 0 342.262 3.791 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000045462696 564028437 /nfs/dbraw/zinc/02/84/37/564028437.db2.gz NTXDJCNGTJKOIT-HXUWFJFHSA-N 1 0 343.515 3.826 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccoc2)C1 ZINC000048343389 564031255 /nfs/dbraw/zinc/03/12/55/564031255.db2.gz CNOQWFCFKIURQC-IYBDPMFKSA-N 1 0 326.440 3.688 50 0 EHAARO COc1cc(C[NH2+]Cc2cccc3ccccc32)ccc1OCCO ZINC000048784196 564032258 /nfs/dbraw/zinc/03/22/58/564032258.db2.gz KPGVQRBHMXMKCC-UHFFFAOYSA-N 1 0 337.419 3.509 50 0 EHAARO Cc1cc(N2CCCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cc[nH+]1 ZINC000220643826 564035986 /nfs/dbraw/zinc/03/59/86/564035986.db2.gz GJBRNSNKNWETNQ-UHFFFAOYSA-N 1 0 349.478 3.621 50 0 EHAARO CN(C[C@@]1(C)CC[N@H+](C)C1)C(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000221290405 564036112 /nfs/dbraw/zinc/03/61/12/564036112.db2.gz PVUQOVLTQOOSAB-NRFANRHFSA-N 1 0 340.442 3.907 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cccc2ccccc21 ZINC000028308044 564045881 /nfs/dbraw/zinc/04/58/81/564045881.db2.gz QOBKFCFUYPMBNY-OAHLLOKOSA-N 1 0 334.419 3.555 50 0 EHAARO Cc1ccsc1C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244866357 564052359 /nfs/dbraw/zinc/05/23/59/564052359.db2.gz VUQVGIUSGYWPCK-KRWDZBQOSA-N 1 0 328.481 3.699 50 0 EHAARO Cc1[nH]nc(C(C)C)c1-c1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000534634279 564061342 /nfs/dbraw/zinc/06/13/42/564061342.db2.gz JUHIBPGZKHQRPV-UHFFFAOYSA-N 1 0 342.487 3.532 50 0 EHAARO CCCC[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccnc1 ZINC000534651536 564061384 /nfs/dbraw/zinc/06/13/84/564061384.db2.gz YWCMGIUUCOIASC-IBGZPJMESA-N 1 0 344.503 3.583 50 0 EHAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@@H+](C1CCCC1)C2 ZINC000012702100 564063481 /nfs/dbraw/zinc/06/34/81/564063481.db2.gz UCTOADRYIAOYMV-FQEVSTJZSA-N 1 0 348.437 3.722 50 0 EHAARO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000083877792 564064131 /nfs/dbraw/zinc/06/41/31/564064131.db2.gz GLDOMKPTUDCZSS-CQSZACIVSA-N 1 0 333.501 3.937 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000084736288 564069931 /nfs/dbraw/zinc/06/99/31/564069931.db2.gz QCRHQKCDGVAUBA-ACJLOTCBSA-N 1 0 344.430 3.699 50 0 EHAARO Cc1nccn1C[C@H]1CCC[N@@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000104639826 564074997 /nfs/dbraw/zinc/07/49/97/564074997.db2.gz YHNKFBGZWZSVCW-WMZOPIPTSA-N 1 0 337.471 3.514 50 0 EHAARO Cc1cccc(CN(Cc2cccc(C)n2)C[C@@H]2CCCCO2)n1 ZINC000085904638 564075171 /nfs/dbraw/zinc/07/51/71/564075171.db2.gz JGHCPDVWHPAELH-FQEVSTJZSA-N 1 0 325.456 3.665 50 0 EHAARO CC(C)Sc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000129890471 564081823 /nfs/dbraw/zinc/08/18/23/564081823.db2.gz CBZCGVJMOYRCLH-CVEARBPZSA-N 1 0 349.544 3.841 50 0 EHAARO Cc1noc(C2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)n1 ZINC000053640797 564082210 /nfs/dbraw/zinc/08/22/10/564082210.db2.gz AXSRCBMDTWENGD-UHFFFAOYSA-N 1 0 335.835 3.680 50 0 EHAARO C[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cc2cc(Cl)ccc2o1 ZINC000130060622 564082883 /nfs/dbraw/zinc/08/28/83/564082883.db2.gz VMANCCXWQUJTTM-OLZOCXBDSA-N 1 0 349.862 3.740 50 0 EHAARO COCc1ccc([C@H]2CCCN2[C@H]2CCc3ccccc3NC2=O)o1 ZINC000248831907 564083013 /nfs/dbraw/zinc/08/30/13/564083013.db2.gz INIZJUMRPLFTJS-MSOLQXFVSA-N 1 0 340.423 3.516 50 0 EHAARO CC[NH+](CC)CCC[C@@H](C)NC(=S)Nc1ccc(C(C)=O)cc1 ZINC000006318291 564084588 /nfs/dbraw/zinc/08/45/88/564084588.db2.gz FEFORINXZXFZFQ-CQSZACIVSA-N 1 0 335.517 3.686 50 0 EHAARO Cc1csc(C2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)n1 ZINC000092787385 564089099 /nfs/dbraw/zinc/08/90/99/564089099.db2.gz NNBYZPQGVZCWNV-UHFFFAOYSA-N 1 0 342.512 3.826 50 0 EHAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036096984 564095977 /nfs/dbraw/zinc/09/59/77/564095977.db2.gz WJRXJZKIODXEEB-GOSISDBHSA-N 1 0 333.859 3.992 50 0 EHAARO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000006905199 564101100 /nfs/dbraw/zinc/10/11/00/564101100.db2.gz PGEQEXJBSSHWGB-HXUWFJFHSA-N 1 0 347.499 3.650 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1F ZINC000007447601 564108627 /nfs/dbraw/zinc/10/86/27/564108627.db2.gz YONYTUFVXFIOAR-UHFFFAOYSA-N 1 0 344.405 3.881 50 0 EHAARO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)sc1-c1ccccc1 ZINC000526052559 564108660 /nfs/dbraw/zinc/10/86/60/564108660.db2.gz ZMXVPICDKPHGKT-OAHLLOKOSA-N 1 0 328.481 3.938 50 0 EHAARO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(F)c(F)c(F)c1 ZINC000089904545 564114966 /nfs/dbraw/zinc/11/49/66/564114966.db2.gz HIQKRAQTZLBOIZ-GFCCVEGCSA-N 1 0 335.373 3.819 50 0 EHAARO C[C@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000089905714 564115105 /nfs/dbraw/zinc/11/51/05/564115105.db2.gz FGVKKZBNYATEJT-SFHVURJKSA-N 1 0 336.479 3.819 50 0 EHAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000089937355 564115520 /nfs/dbraw/zinc/11/55/20/564115520.db2.gz STHVDXLEQPUMKF-MKBNYLNASA-N 1 0 328.378 3.613 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948892 564115761 /nfs/dbraw/zinc/11/57/61/564115761.db2.gz WISOIQISVLGWSO-SUMWQHHRSA-N 1 0 338.854 3.606 50 0 EHAARO C[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(C)(C)C[NH+](C)C ZINC000170639391 564117609 /nfs/dbraw/zinc/11/76/09/564117609.db2.gz AWWDPZUJBFYWJB-LBPRGKRZSA-N 1 0 332.517 3.958 50 0 EHAARO Cc1cc([C@@H]2CCCN2CC(=O)N2CCC[C@H]2c2ccsc2)on1 ZINC000252467560 564118793 /nfs/dbraw/zinc/11/87/93/564118793.db2.gz RUJXDPGOGMYVNL-HOTGVXAUSA-N 1 0 345.468 3.545 50 0 EHAARO Cc1ccc(NC(=O)C2CC[NH+](CCSC(C)(C)C)CC2)nc1 ZINC000252485118 564119273 /nfs/dbraw/zinc/11/92/73/564119273.db2.gz GNSLEDNBRSNMFN-UHFFFAOYSA-N 1 0 335.517 3.572 50 0 EHAARO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C)c(Cl)c1)c1ccncc1 ZINC000194733832 564122066 /nfs/dbraw/zinc/12/20/66/564122066.db2.gz QBUXGWCEVHTJHY-GOSISDBHSA-N 1 0 332.831 3.612 50 0 EHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(C)cc1 ZINC000002221665 564124071 /nfs/dbraw/zinc/12/40/71/564124071.db2.gz VIIAGDWVLDNOPX-HXUWFJFHSA-N 1 0 337.467 3.903 50 0 EHAARO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1cccc(-c2ncco2)c1 ZINC000253370663 564130357 /nfs/dbraw/zinc/13/03/57/564130357.db2.gz ULGNNHDZKHFOFQ-AYOQOUSVSA-N 1 0 341.455 3.643 50 0 EHAARO C[C@H]1C[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000253419262 564130965 /nfs/dbraw/zinc/13/09/65/564130965.db2.gz FBAORFZEBXCIDI-QSFXBCCZSA-N 1 0 340.442 3.762 50 0 EHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1csc(Cl)n1 ZINC000253428076 564131233 /nfs/dbraw/zinc/13/12/33/564131233.db2.gz HTKXMVKSJRQFFA-CQSZACIVSA-N 1 0 335.904 3.893 50 0 EHAARO Cc1nc(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)o1 ZINC000584898741 564131700 /nfs/dbraw/zinc/13/17/00/564131700.db2.gz QHRKAIJYCREPNX-SFHVURJKSA-N 1 0 341.455 3.639 50 0 EHAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000078897976 564137374 /nfs/dbraw/zinc/13/73/74/564137374.db2.gz LEKAMMQRPQIESZ-DYVFJYSZSA-N 1 0 328.481 3.638 50 0 EHAARO Cc1ccc(-c2ncc(CN3CCO[C@@H](c4ccco4)C3)s2)o1 ZINC000093841817 564138030 /nfs/dbraw/zinc/13/80/30/564138030.db2.gz ULHVFGJGZVTVQL-MRXNPFEDSA-N 1 0 330.409 3.878 50 0 EHAARO O=C(c1cc2ccccc2[nH]1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000095347308 564139192 /nfs/dbraw/zinc/13/91/92/564139192.db2.gz UDNNIEGRBIFFDA-UHFFFAOYSA-N 1 0 347.462 3.559 50 0 EHAARO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CCO2 ZINC000095412225 564139678 /nfs/dbraw/zinc/13/96/78/564139678.db2.gz NIDBOGLAODWHOF-IBGZPJMESA-N 1 0 337.467 3.912 50 0 EHAARO C[C@@H]([NH2+]Cc1cccs1)c1ccc(OCc2nccn2C)cc1 ZINC000095419352 564139812 /nfs/dbraw/zinc/13/98/12/564139812.db2.gz HBQANFMTCLKYRF-CQSZACIVSA-N 1 0 327.453 3.911 50 0 EHAARO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCc4ccc(F)cc43)cn2)n1 ZINC000095420490 564139887 /nfs/dbraw/zinc/13/98/87/564139887.db2.gz GEAVOFLUYVDSAS-LJQANCHMSA-N 1 0 336.414 3.800 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)cc1F ZINC000095421788 564140036 /nfs/dbraw/zinc/14/00/36/564140036.db2.gz HJPPSUNPCXBTMH-CYBMUJFWSA-N 1 0 330.403 3.686 50 0 EHAARO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(SC(F)F)cc1 ZINC000095422427 564140097 /nfs/dbraw/zinc/14/00/97/564140097.db2.gz IIOZZMKXPQEWEG-CYBMUJFWSA-N 1 0 344.471 3.763 50 0 EHAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095422412 564140114 /nfs/dbraw/zinc/14/01/14/564140114.db2.gz UDAOEQFULLSWJS-NWDGAFQWSA-N 1 0 342.443 3.987 50 0 EHAARO Cc1cnc([C@H]([NH2+][C@@H](C)CC(=O)N2CCCCCC2)C2CC2)s1 ZINC000095423345 564140185 /nfs/dbraw/zinc/14/01/85/564140185.db2.gz YHZSJQPEDCMJFM-SUMWQHHRSA-N 1 0 335.517 3.673 50 0 EHAARO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](C)c2cccc(Cl)c2)c1 ZINC000095452896 564140597 /nfs/dbraw/zinc/14/05/97/564140597.db2.gz PTIXUMXLHIOPHJ-UGSOOPFHSA-N 1 0 349.858 3.784 50 0 EHAARO CC1(C)[C@H]([NH2+]C2CCN(CCc3ccncc3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000095971785 564143415 /nfs/dbraw/zinc/14/34/15/564143415.db2.gz QZYJKRRQYOUOFT-QHAWAJNXSA-N 1 0 341.543 3.893 50 0 EHAARO CC(C)c1ocnc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000096418531 564147926 /nfs/dbraw/zinc/14/79/26/564147926.db2.gz DWBMTVANCXYLIL-UHFFFAOYSA-N 1 0 340.427 3.567 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)c1 ZINC000096476720 564148472 /nfs/dbraw/zinc/14/84/72/564148472.db2.gz BGDAMYXTJDSUGI-ZDUSSCGKSA-N 1 0 344.480 3.628 50 0 EHAARO C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(OCc2nccn2C)cc1 ZINC000096479284 564148578 /nfs/dbraw/zinc/14/85/78/564148578.db2.gz RCFQAZVHWTWOSF-RHSMWYFYSA-N 1 0 331.485 3.545 50 0 EHAARO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)no1 ZINC000096489542 564148698 /nfs/dbraw/zinc/14/86/98/564148698.db2.gz WJCYNPHGBUGMIM-WBMJQRKESA-N 1 0 343.427 3.550 50 0 EHAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]Cc1ccccc1CO ZINC000097160058 564149477 /nfs/dbraw/zinc/14/94/77/564149477.db2.gz CPKROCBBVILTEV-UHFFFAOYSA-N 1 0 349.478 3.639 50 0 EHAARO O=C(C[NH2+]CC1CCCCC1)Nc1ccc(N2CCCCC2)cc1 ZINC000002645158 564151801 /nfs/dbraw/zinc/15/18/01/564151801.db2.gz RBIKBCMUVKQJHW-UHFFFAOYSA-N 1 0 329.488 3.785 50 0 EHAARO C[C@@H](CCc1ccco1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057137162 564153282 /nfs/dbraw/zinc/15/32/82/564153282.db2.gz QFOCDHPSEOFTGU-KRWDZBQOSA-N 1 0 340.467 3.629 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccncc1 ZINC000057153607 564153313 /nfs/dbraw/zinc/15/33/13/564153313.db2.gz YLLVFNMVCPYWCN-NHCUHLMSSA-N 1 0 349.478 3.657 50 0 EHAARO CC[NH+]1CCC(N(C(=O)CCc2c[nH]c3ccccc23)C2CC2)CC1 ZINC000057370772 564153826 /nfs/dbraw/zinc/15/38/26/564153826.db2.gz RPMFNROFBHDNLN-UHFFFAOYSA-N 1 0 339.483 3.576 50 0 EHAARO CC(C)(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000029899013 564154670 /nfs/dbraw/zinc/15/46/70/564154670.db2.gz HRGQJMZPWFIGCB-GOSISDBHSA-N 1 0 340.467 3.901 50 0 EHAARO Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C)CC2)cc1 ZINC000004248010 564161284 /nfs/dbraw/zinc/16/12/84/564161284.db2.gz HJNVHZHWEDIPKE-FQEVSTJZSA-N 1 0 347.462 3.960 50 0 EHAARO Cc1cnccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670467175 564162623 /nfs/dbraw/zinc/16/26/23/564162623.db2.gz NOVUISCHOABHNX-HXUWFJFHSA-N 1 0 337.467 3.737 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(F)cc1F ZINC000066969994 564164860 /nfs/dbraw/zinc/16/48/60/564164860.db2.gz JBPWOXGSAJHXIG-CQSZACIVSA-N 1 0 332.394 3.652 50 0 EHAARO O[C@@H](C[NH2+]Cc1csc(-c2ccsc2)n1)c1ccccc1F ZINC000067216453 564165362 /nfs/dbraw/zinc/16/53/62/564165362.db2.gz CITCBHPWBZJTBS-HNNXBMFYSA-N 1 0 334.441 3.834 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000040120671 564168236 /nfs/dbraw/zinc/16/82/36/564168236.db2.gz LWSVIIJUDTXURZ-CABCVRRESA-N 1 0 347.484 3.847 50 0 EHAARO C[C@H]([C@H](C)[NH2+]Cc1ccccc1OCc1ccccn1)n1cccn1 ZINC000069414721 564169217 /nfs/dbraw/zinc/16/92/17/564169217.db2.gz GCLIKTKKRYTTNG-DLBZAZTESA-N 1 0 336.439 3.596 50 0 EHAARO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000009868725 564174716 /nfs/dbraw/zinc/17/47/16/564174716.db2.gz ZEUDVFYNRPPHQM-CYBMUJFWSA-N 1 0 331.412 3.572 50 0 EHAARO c1csc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cn3ccnc3)cc2)c1 ZINC000042228389 564174764 /nfs/dbraw/zinc/17/47/64/564174764.db2.gz GLQUODKSXPUMGT-UHFFFAOYSA-N 1 0 349.463 3.673 50 0 EHAARO COc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)c2ccccc12 ZINC000009917324 564174802 /nfs/dbraw/zinc/17/48/02/564174802.db2.gz MKPYHAFRYARCEA-UHFFFAOYSA-N 1 0 348.446 3.840 50 0 EHAARO CC1CC[NH+](CCCNC(=O)Nc2nc3ccccc3s2)CC1 ZINC000010201820 564175111 /nfs/dbraw/zinc/17/51/11/564175111.db2.gz KHKLYEICHZMPGV-UHFFFAOYSA-N 1 0 332.473 3.540 50 0 EHAARO C[NH+]1CCC(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)CC1 ZINC000292032390 1027463924 /nfs/dbraw/zinc/46/39/24/1027463924.db2.gz CWEZGHUNWRLOFQ-UHFFFAOYSA-N 1 0 341.282 3.610 50 0 EHAARO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc2ccncc2s1 ZINC000657933668 1033684155 /nfs/dbraw/zinc/68/41/55/1033684155.db2.gz WIIKZGUZOUXCDV-VIFPVBQESA-N 1 0 340.374 3.899 50 0 EHAARO O=C1CCCN1Cc1cccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000177994393 1035492969 /nfs/dbraw/zinc/49/29/69/1035492969.db2.gz FWCICKODDVLVSJ-HXUWFJFHSA-N 1 0 338.426 3.725 50 0 EHAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC000187306508 1037311339 /nfs/dbraw/zinc/31/13/39/1037311339.db2.gz FHHPYJLPPKEWHC-GOSISDBHSA-N 1 0 344.430 3.535 50 0 EHAARO Cc1ccc(C[N@@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)o1 ZINC000257186430 1038472681 /nfs/dbraw/zinc/47/26/81/1038472681.db2.gz ZCLFANMKUBRROU-LJQANCHMSA-N 1 0 326.440 3.822 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)Cc2ccccc2)CC1 ZINC000257188984 1038502883 /nfs/dbraw/zinc/50/28/83/1038502883.db2.gz NHYUCVGVAMJARM-FQEVSTJZSA-N 1 0 328.500 3.732 50 0 EHAARO CCN1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257196599 1038561141 /nfs/dbraw/zinc/56/11/41/1038561141.db2.gz YNHQCRDCSDHNRX-HXUWFJFHSA-N 1 0 338.499 3.562 50 0 EHAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000330877610 1040887427 /nfs/dbraw/zinc/88/74/27/1040887427.db2.gz XPNBYKIRIXCQFW-FUHWJXTLSA-N 1 0 332.488 3.526 50 0 EHAARO CCO[C@H](C[NH2+]Cc1sccc1C1OCCO1)c1ccccc1 ZINC000888097869 1043255395 /nfs/dbraw/zinc/25/53/95/1043255395.db2.gz RDRPJLAXIVJWGC-MRXNPFEDSA-N 1 0 333.453 3.661 50 0 EHAARO Cc1nc(C)c(C(=O)Nc2ccccc2C[NH+]2CCCCC2)s1 ZINC000825272110 1131261912 /nfs/dbraw/zinc/26/19/12/1131261912.db2.gz AXTGFHLPYPNCQQ-UHFFFAOYSA-N 1 0 329.469 3.998 50 0 EHAARO CC[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccncc1 ZINC000163783310 1125238014 /nfs/dbraw/zinc/23/80/14/1125238014.db2.gz DUPOOIXWCVZNQI-NCYVPVAZSA-N 1 0 335.451 3.955 50 0 EHAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CCOCC2)c1 ZINC000012702503 1129454253 /nfs/dbraw/zinc/45/42/53/1129454253.db2.gz QQLIGIIHYNBUBR-IBGZPJMESA-N 1 0 325.456 3.635 50 0 EHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N1CCCCCCC1)C[C@@H](C)O2 ZINC000014989781 1129593387 /nfs/dbraw/zinc/59/33/87/1129593387.db2.gz IMXATPRVPUKHCU-GOSISDBHSA-N 1 0 344.499 3.761 50 0 EHAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(OCc2ccccn2)cc1)n1cccn1 ZINC000069368758 1130197379 /nfs/dbraw/zinc/19/73/79/1130197379.db2.gz GZFMWPFVHNFBDW-DLBZAZTESA-N 1 0 336.439 3.596 50 0 EHAARO CN(CC[N@H+](C)C1CCCC1)C(=O)/C=C/c1nc2ccccc2s1 ZINC000823659062 1131074231 /nfs/dbraw/zinc/07/42/31/1131074231.db2.gz FWPPQELDAIDDNH-VAWYXSNFSA-N 1 0 343.496 3.642 50 0 EHAARO COc1cccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1F ZINC000824795507 1131219475 /nfs/dbraw/zinc/21/94/75/1131219475.db2.gz NBCFRCJJPFANNJ-UHFFFAOYSA-N 1 0 328.387 3.682 50 0 EHAARO COc1ccc(C[N@@H+]2CC[C@H](n3c(C)cnc3C3CC3)C2)cc1C ZINC000575549507 1131572631 /nfs/dbraw/zinc/57/26/31/1131572631.db2.gz MTGVOOKOKSOWTF-SFHVURJKSA-N 1 0 325.456 3.833 50 0 EHAARO Cc1ccc(C[NH+]2CC(c3ncc(C)n3Cc3cccnc3)C2)s1 ZINC000575554784 1131573079 /nfs/dbraw/zinc/57/30/79/1131573079.db2.gz VBSIWAKLGIYRGD-UHFFFAOYSA-N 1 0 338.480 3.604 50 0 EHAARO O=C(CCC1CCCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000581784297 1132359189 /nfs/dbraw/zinc/35/91/89/1132359189.db2.gz QFJPQWIBWKIMES-IBGZPJMESA-N 1 0 348.531 3.593 50 0 EHAARO Cc1c[nH+]c(CC2CCN(C(=O)C(C)C)CC2)n1Cc1ccccc1 ZINC000581817071 1132374478 /nfs/dbraw/zinc/37/44/78/1132374478.db2.gz YVFQZYMWGGQPIW-UHFFFAOYSA-N 1 0 339.483 3.677 50 0 EHAARO O=C(CC1CCCC1)N1CCOc2ccc(C[NH+]3CCCC3)cc2C1 ZINC000581820091 1132375478 /nfs/dbraw/zinc/37/54/78/1132375478.db2.gz YQXBIALSPKSXBT-UHFFFAOYSA-N 1 0 342.483 3.584 50 0 EHAARO c1csc(-c2cnc(C[NH2+][C@@H]3CCc4ccccc4OC3)o2)c1 ZINC000585080295 1136964437 /nfs/dbraw/zinc/96/44/37/1136964437.db2.gz ZLLUIJYIFUDXMY-CQSZACIVSA-N 1 0 326.421 3.887 50 0 EHAARO CC(C)(C)OC(=O)N1CCC(c2cc(C[NH2+]C3(C)CCC3)on2)CC1 ZINC000585117401 1137010129 /nfs/dbraw/zinc/01/01/29/1137010129.db2.gz ASYKODOPVKNOII-UHFFFAOYSA-N 1 0 349.475 3.821 50 0 EHAARO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000192148993 1137025680 /nfs/dbraw/zinc/02/56/80/1137025680.db2.gz FYLQYIIUZNJPAK-HNNXBMFYSA-N 1 0 335.407 3.760 50 0 EHAARO CCCCC(=O)Nc1ccc(NC(=O)[C@H](C)C[NH+](C)C)cc1Cl ZINC000952864587 1137483529 /nfs/dbraw/zinc/48/35/29/1137483529.db2.gz KINCDVJLXKELKL-GFCCVEGCSA-N 1 0 339.867 3.605 50 0 EHAARO c1ccc2[nH]c([C@@H]3CCC[N@H+](C4CSCCSC4)C3)nc2c1 ZINC000952867869 1137483667 /nfs/dbraw/zinc/48/36/67/1137483667.db2.gz ULRGKVWTSVSHNE-CYBMUJFWSA-N 1 0 333.526 3.591 50 0 EHAARO CN(CC[N@H+](C)C1CCCC1)C(=O)[C@@]1(c2cccs2)CC1(C)C ZINC000952966292 1137483954 /nfs/dbraw/zinc/48/39/54/1137483954.db2.gz GYEPCMROFFRYEC-IBGZPJMESA-N 1 0 334.529 3.749 50 0 EHAARO Cc1nc2cc(C[NH2+]Cc3cc(C)ccc3-n3cccn3)ccc2n1C ZINC000952971406 1137484199 /nfs/dbraw/zinc/48/41/99/1137484199.db2.gz DTDFYAVBHJFLBS-UHFFFAOYSA-N 1 0 345.450 3.666 50 0 EHAARO CCOc1ccc([C@H](CC)[NH2+]Cc2cnn3c2nc(C)cc3C)cc1 ZINC000952971986 1137484333 /nfs/dbraw/zinc/48/43/33/1137484333.db2.gz AKIGXDZQCHZETK-IBGZPJMESA-N 1 0 338.455 3.986 50 0 EHAARO CCOc1ccc(CN(C)[C@@H](COC)c2ccccn2)cc1Cl ZINC000952974113 1137484485 /nfs/dbraw/zinc/48/44/85/1137484485.db2.gz LBTSNUUCBFJRNU-KRWDZBQOSA-N 1 0 334.847 3.953 50 0 EHAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCn1cnc(C)c1C ZINC000952988078 1137485557 /nfs/dbraw/zinc/48/55/57/1137485557.db2.gz AQRSVPLNEGXSSO-UHFFFAOYSA-N 1 0 328.243 3.605 50 0 EHAARO CCCn1cc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)c(C)n1 ZINC000952985873 1137485585 /nfs/dbraw/zinc/48/55/85/1137485585.db2.gz BECFGUGIADACEU-UHFFFAOYSA-N 1 0 340.471 3.840 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000097696167 219048871 /nfs/dbraw/zinc/04/88/71/219048871.db2.gz YSXHHLLMLXLHEC-QGZVFWFLSA-N 1 0 347.466 3.863 50 0 EHAARO O=C(CSc1ccc2ccccc2c1)NC1CC[NH+](C2CC2)CC1 ZINC000009961576 201791238 /nfs/dbraw/zinc/79/12/38/201791238.db2.gz IGIQVMNZPVQHLM-UHFFFAOYSA-N 1 0 340.492 3.675 50 0 EHAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H]([NH2+]C2CCOCC2)C1 ZINC000015069397 201949703 /nfs/dbraw/zinc/94/97/03/201949703.db2.gz QFFPQOZLKQVAIA-GOSISDBHSA-N 1 0 325.456 3.654 50 0 EHAARO CSc1ccc2cc(C[N@H+](C)[C@H](C)c3ccncc3)c(=O)[nH]c2c1 ZINC000067491131 215154146 /nfs/dbraw/zinc/15/41/46/215154146.db2.gz HUWPABPVUYRKPH-CYBMUJFWSA-N 1 0 339.464 3.838 50 0 EHAARO c1ccc(C2CCC([NH+]3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000019364257 202006280 /nfs/dbraw/zinc/00/62/80/202006280.db2.gz VJFHPQIITGJXST-UHFFFAOYSA-N 1 0 335.495 3.926 50 0 EHAARO Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000019879420 202024833 /nfs/dbraw/zinc/02/48/33/202024833.db2.gz ZXTDMEVOZZTVJO-LJQANCHMSA-N 1 0 325.481 3.875 50 0 EHAARO Cc1ncc2c(c1-c1noc(-c3cc(F)ccc3Cl)n1)CC[NH2+]C2 ZINC000019952807 202027237 /nfs/dbraw/zinc/02/72/37/202027237.db2.gz XAMWGAJXWLGBHD-UHFFFAOYSA-N 1 0 344.777 3.545 50 0 EHAARO Cc1ccc([C@H](CC[NH2+]CCN(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000020566494 202048735 /nfs/dbraw/zinc/04/87/35/202048735.db2.gz OFXYFIUSQDZZBQ-PMACEKPBSA-N 1 0 332.532 3.825 50 0 EHAARO Cc1cc2c3nnc(SCC[NH+]4CCCCC4)nc3[nH]c2c(C)c1 ZINC000020623876 202051054 /nfs/dbraw/zinc/05/10/54/202051054.db2.gz YDVRKCOFGCMRHM-UHFFFAOYSA-N 1 0 341.484 3.701 50 0 EHAARO CC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170207 202063312 /nfs/dbraw/zinc/06/33/12/202063312.db2.gz KFESWWHZXAIWTH-NHCUHLMSSA-N 1 0 343.442 3.539 50 0 EHAARO c1[nH]c2ccccc2c1CCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022454838 202085486 /nfs/dbraw/zinc/08/54/86/202085486.db2.gz BUTXFZSOKHLWFQ-UHFFFAOYSA-N 1 0 333.479 3.918 50 0 EHAARO Cc1ccc(CCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000022682847 202090206 /nfs/dbraw/zinc/09/02/06/202090206.db2.gz YCMDFUUDYQIJCJ-FQEVSTJZSA-N 1 0 342.458 3.794 50 0 EHAARO c1ccc(C[N@@H+]2CCC[C@@H](Nc3nncc(-c4ccccc4)n3)C2)cc1 ZINC000023380462 202103140 /nfs/dbraw/zinc/10/31/40/202103140.db2.gz KUXJCPUIHOGROY-LJQANCHMSA-N 1 0 345.450 3.615 50 0 EHAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000024794807 202121576 /nfs/dbraw/zinc/12/15/76/202121576.db2.gz OUTAEUUEGZAKOB-UHFFFAOYSA-N 1 0 339.414 3.858 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)cc2c1C ZINC000025328940 202130279 /nfs/dbraw/zinc/13/02/79/202130279.db2.gz MBIJLCJZXJNFJF-GOSISDBHSA-N 1 0 341.480 3.879 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)c1cccs1 ZINC000025784433 202136806 /nfs/dbraw/zinc/13/68/06/202136806.db2.gz IZTWRQOMMLBUFT-ZDUSSCGKSA-N 1 0 344.814 3.712 50 0 EHAARO Cc1ccc([C@H](CNC(=O)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000027582246 202158188 /nfs/dbraw/zinc/15/81/88/202158188.db2.gz BZOZQMVMVOXZGS-NRFANRHFSA-N 1 0 336.479 3.881 50 0 EHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000027664230 202159495 /nfs/dbraw/zinc/15/94/95/202159495.db2.gz JJSXNGMNTZGSTA-INIZCTEOSA-N 1 0 332.444 3.844 50 0 EHAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000040002626 202166512 /nfs/dbraw/zinc/16/65/12/202166512.db2.gz SXUKTICYBXUYRJ-IRXDYDNUSA-N 1 0 340.467 3.668 50 0 EHAARO C[N@H+](CC(=O)Nc1ccccc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000029810368 202191701 /nfs/dbraw/zinc/19/17/01/202191701.db2.gz TUNXAHBRCXSHAW-MRXNPFEDSA-N 1 0 346.377 3.846 50 0 EHAARO Clc1cc(C[n+]2ccc(Cc3ccccc3)cc2)cc2c1OCO2 ZINC000029393911 202186082 /nfs/dbraw/zinc/18/60/82/202186082.db2.gz POSPMRPRQNXVAX-UHFFFAOYSA-N 1 0 338.814 3.995 50 0 EHAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000030908493 202200442 /nfs/dbraw/zinc/20/04/42/202200442.db2.gz AAFWZSXNBWJVQJ-FQEVSTJZSA-N 1 0 348.450 3.561 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000032779401 202234832 /nfs/dbraw/zinc/23/48/32/202234832.db2.gz QNZCMYGMCGITDS-INIZCTEOSA-N 1 0 341.455 3.613 50 0 EHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000032804087 202235858 /nfs/dbraw/zinc/23/58/58/202235858.db2.gz CWXOXMNEWZNCPM-IBGZPJMESA-N 1 0 326.440 3.684 50 0 EHAARO Fc1cc2cccnc2c(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000032825147 202236647 /nfs/dbraw/zinc/23/66/47/202236647.db2.gz CNHWJGJVOYXVCR-UHFFFAOYSA-N 1 0 335.426 3.692 50 0 EHAARO Cc1ccc(NC(=O)[C@@H]([NH2+]CCc2ccccn2)c2ccccc2)cc1 ZINC000033040235 202247982 /nfs/dbraw/zinc/24/79/82/202247982.db2.gz PGLLWVGFEKNRME-NRFANRHFSA-N 1 0 345.446 3.902 50 0 EHAARO Cc1ccc(CNC(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000033312172 202257189 /nfs/dbraw/zinc/25/71/89/202257189.db2.gz XSWBFMOTXJKMKV-GOSISDBHSA-N 1 0 343.515 3.649 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCC(n2cccc2)CC1 ZINC000069620762 202287639 /nfs/dbraw/zinc/28/76/39/202287639.db2.gz RVDFPKGOWQBTKD-TUNPWDSISA-N 1 0 343.515 3.695 50 0 EHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cc(C)ccc1C)[C@@H](C)CC ZINC000036031950 202313410 /nfs/dbraw/zinc/31/34/10/202313410.db2.gz AMJPXWUZBPWAJA-PKOBYXMFSA-N 1 0 335.488 3.608 50 0 EHAARO CC(C)OC[C@H](O)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103511 202316513 /nfs/dbraw/zinc/31/65/13/202316513.db2.gz KSFHUSZMMUAVQX-QGZVFWFLSA-N 1 0 337.460 3.675 50 0 EHAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000072267585 202359189 /nfs/dbraw/zinc/35/91/89/202359189.db2.gz JFWXSIUPFQNNGY-LJQANCHMSA-N 1 0 335.455 3.626 50 0 EHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000229870584 201044539 /nfs/dbraw/zinc/04/45/39/201044539.db2.gz HMKFKASBVMNXAW-HTAPYJJXSA-N 1 0 348.490 3.670 50 0 EHAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2ccc(F)cc2)nc1C ZINC000257173759 201192088 /nfs/dbraw/zinc/19/20/88/201192088.db2.gz WMWBYTMUMNBRQY-UHFFFAOYSA-N 1 0 343.446 3.658 50 0 EHAARO C[NH+](C)CC1CCN(C(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000058249003 202747947 /nfs/dbraw/zinc/74/79/47/202747947.db2.gz VPBLHIGGURYPQV-UHFFFAOYSA-N 1 0 343.443 3.807 50 0 EHAARO c1nc(C2CCCCC2)ncc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000215753070 241142418 /nfs/dbraw/zinc/14/24/18/241142418.db2.gz ZJAAPSKTLULOJC-UHFFFAOYSA-N 1 0 342.531 3.975 50 0 EHAARO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(OCCn2ccnc2)cc1 ZINC000215840179 241151243 /nfs/dbraw/zinc/15/12/43/241151243.db2.gz WCQXLJHLHMEEPA-QGZVFWFLSA-N 1 0 336.439 3.550 50 0 EHAARO Cn1ccnc1CCC[N@H+](C)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000216192213 241172914 /nfs/dbraw/zinc/17/29/14/241172914.db2.gz JHLQSJNVRBCSSE-UHFFFAOYSA-N 1 0 344.459 3.747 50 0 EHAARO CSc1ccc(C[NH+]2CCC(OCc3ccccn3)CC2)cc1 ZINC000216403770 241188438 /nfs/dbraw/zinc/18/84/38/241188438.db2.gz ZNEWGIRHXGPYKO-UHFFFAOYSA-N 1 0 328.481 3.985 50 0 EHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1F ZINC000000350681 201462845 /nfs/dbraw/zinc/46/28/45/201462845.db2.gz DXZQQEGAZYMJPN-IBGZPJMESA-N 1 0 341.430 3.734 50 0 EHAARO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000227200462 242127559 /nfs/dbraw/zinc/12/75/59/242127559.db2.gz UBWQYEJYEDQQDU-LDRMICATSA-N 1 0 349.478 3.606 50 0 EHAARO Cc1ccc(S[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000002881656 201550270 /nfs/dbraw/zinc/55/02/70/201550270.db2.gz LOXARIBRQQCSPJ-AWEZNQCLSA-N 1 0 334.529 3.901 50 0 EHAARO CSc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000241776860 243001263 /nfs/dbraw/zinc/00/12/63/243001263.db2.gz RTEFOPISLSIBHI-HOCLYGCPSA-N 1 0 333.501 3.665 50 0 EHAARO Cc1cccc(NC(=O)CC[N@@H+](C)[C@H](C)Cc2ncccc2C)c1C ZINC000243885893 243027099 /nfs/dbraw/zinc/02/70/99/243027099.db2.gz ADHFCFHTHMPTJK-QGZVFWFLSA-N 1 0 339.483 3.898 50 0 EHAARO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2c[nH]nc2C)cc1 ZINC000069564091 203020257 /nfs/dbraw/zinc/02/02/57/203020257.db2.gz GEERWDUKRMEFQQ-FQEVSTJZSA-N 1 0 339.414 3.939 50 0 EHAARO C[C@H]1CCCC[N@@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000071769750 203111519 /nfs/dbraw/zinc/11/15/19/203111519.db2.gz RSGZFCYQCKXIQH-SFHVURJKSA-N 1 0 336.479 3.723 50 0 EHAARO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000071831336 203123030 /nfs/dbraw/zinc/12/30/30/203123030.db2.gz DQZFLCJGRCZKIJ-HNNXBMFYSA-N 1 0 340.471 3.616 50 0 EHAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1sc2ccccc2c1C ZINC000071837234 203124616 /nfs/dbraw/zinc/12/46/16/203124616.db2.gz XCYLPYVKIFYOCZ-CQSZACIVSA-N 1 0 343.496 3.866 50 0 EHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)NC(C)C)C2)cc1 ZINC000072147067 203171328 /nfs/dbraw/zinc/17/13/28/203171328.db2.gz SBRZBLFOMXRDIB-LJQANCHMSA-N 1 0 331.504 3.557 50 0 EHAARO O[C@@]1(c2ccccc2)CC[N@H+](CCc2ccccn2)[C@H]2CCCC[C@@H]21 ZINC000072156521 203174548 /nfs/dbraw/zinc/17/45/48/203174548.db2.gz MFNWRRLFBJPJFZ-FDFHNCONSA-N 1 0 336.479 3.776 50 0 EHAARO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000072163352 203177506 /nfs/dbraw/zinc/17/75/06/203177506.db2.gz ZOIUYRQKLJXIGG-NRFANRHFSA-N 1 0 336.479 3.839 50 0 EHAARO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@H](C)c1cccnc1 ZINC000072286302 203192837 /nfs/dbraw/zinc/19/28/37/203192837.db2.gz GYOKXRYUFMEONL-PBHICJAKSA-N 1 0 346.500 3.539 50 0 EHAARO C/C=C/C=C/C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000072291505 203195089 /nfs/dbraw/zinc/19/50/89/203195089.db2.gz YKJMWONUGJGGSO-YTXTXJHMSA-N 1 0 327.472 3.535 50 0 EHAARO CC(C)c1noc(-c2ccc(NC3CC[NH+](C(C)C)CC3)nc2)n1 ZINC000072454345 203226779 /nfs/dbraw/zinc/22/67/79/203226779.db2.gz OBXSLPDSTYYIFG-UHFFFAOYSA-N 1 0 329.448 3.540 50 0 EHAARO CCOC[C@@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073672042 203271376 /nfs/dbraw/zinc/27/13/76/203271376.db2.gz MQLPCSBTINAJPY-MRXNPFEDSA-N 1 0 339.439 3.714 50 0 EHAARO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000075142632 203307247 /nfs/dbraw/zinc/30/72/47/203307247.db2.gz RHEBITLETBOUKH-YJBOKZPZSA-N 1 0 326.440 3.571 50 0 EHAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3ccnc(C(C)C)n3)C2)c1 ZINC000077440693 203389733 /nfs/dbraw/zinc/38/97/33/203389733.db2.gz BJLKCWAWMZKEOT-HNNXBMFYSA-N 1 0 341.455 3.607 50 0 EHAARO O=C1CCCN1CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091265466 203629625 /nfs/dbraw/zinc/62/96/25/203629625.db2.gz PURHSVOOGLGGSB-QGZVFWFLSA-N 1 0 340.389 3.759 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004743579 206495155 /nfs/dbraw/zinc/49/51/55/206495155.db2.gz SPZABYOQAAZMLA-UHFFFAOYSA-N 1 0 331.456 3.771 50 0 EHAARO Cc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)c(OCc2ccco2)c1 ZINC000095969181 218473979 /nfs/dbraw/zinc/47/39/79/218473979.db2.gz PHLQUWYFZFGTGQ-HNNXBMFYSA-N 1 0 325.412 3.751 50 0 EHAARO CCCCOc1ccc(C(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000012442742 207145136 /nfs/dbraw/zinc/14/51/36/207145136.db2.gz YZFYWHYTNPJNSA-UHFFFAOYSA-N 1 0 332.488 3.716 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccsc1 ZINC000013011158 207274900 /nfs/dbraw/zinc/27/49/00/207274900.db2.gz SEAYEHOAHXEIHZ-CQSZACIVSA-N 1 0 342.386 3.800 50 0 EHAARO Cc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)s1 ZINC000092645196 257972640 /nfs/dbraw/zinc/97/26/40/257972640.db2.gz CAKPNGUKGBGTDU-UHFFFAOYSA-N 1 0 329.513 3.590 50 0 EHAARO FC(F)(F)c1ccc2c(c1)nc([C@@H]1CCCO1)n2C1CC[NH2+]CC1 ZINC000299795534 258099637 /nfs/dbraw/zinc/09/96/37/258099637.db2.gz MNNBQBBLAVWRKD-HNNXBMFYSA-N 1 0 339.361 3.831 50 0 EHAARO Cc1cc(N2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)n2nccc2n1 ZINC000072477840 258064868 /nfs/dbraw/zinc/06/48/68/258064868.db2.gz NAYJMZIIKPDWHV-HNNXBMFYSA-N 1 0 346.438 3.606 50 0 EHAARO Cc1cc(N2CCN(C(=O)c3cc(C)c(C)cc3C)CC2)cc(C)[nH+]1 ZINC000020776508 135722451 /nfs/dbraw/zinc/72/24/51/135722451.db2.gz HNSNLORNWNIAHZ-UHFFFAOYSA-N 1 0 337.467 3.586 50 0 EHAARO COc1ccccc1C1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000215170420 537016161 /nfs/dbraw/zinc/01/61/61/537016161.db2.gz RRZFAILRABEOTQ-UHFFFAOYSA-N 1 0 325.456 3.536 50 0 EHAARO CC[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000010474750 563647986 /nfs/dbraw/zinc/64/79/86/563647986.db2.gz QGPBYPKXXFIUBZ-UHFFFAOYSA-N 1 0 337.055 3.720 50 0 EHAARO COC1=Cc2ccccc2[C@@](O)(C2CC[NH+](C)CC2)c2ccsc21 ZINC000000347413 563288046 /nfs/dbraw/zinc/28/80/46/563288046.db2.gz AAYKXJAFSKIHRK-FQEVSTJZSA-N 1 0 341.476 3.784 50 0 in-vitro EHAARO CC[NH+](CC)C[C@@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000000351091 563289453 /nfs/dbraw/zinc/28/94/53/563289453.db2.gz HKIGNQYJMXLHTG-OAHLLOKOSA-N 1 0 328.481 3.992 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000001408184 563388123 /nfs/dbraw/zinc/38/81/23/563388123.db2.gz NFLCLMQFIWHNOP-ZDUSSCGKSA-N 1 0 332.194 3.840 50 0 EHAARO FC(F)(F)c1ccc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)c2c1 ZINC000002243300 563427725 /nfs/dbraw/zinc/42/77/25/563427725.db2.gz PVWMDWKIYNFTGQ-UHFFFAOYSA-N 1 0 349.278 3.682 50 0 EHAARO O[C@@H](C[NH2+]CCc1ccccc1)Cn1c2ccccc2c2c1CCCC2 ZINC000003618130 563487206 /nfs/dbraw/zinc/48/72/06/563487206.db2.gz AQNRERQKCDUYAR-IBGZPJMESA-N 1 0 348.490 3.713 50 0 EHAARO O=C(Nc1ccc(F)c(Cl)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000004804946 563511644 /nfs/dbraw/zinc/51/16/44/563511644.db2.gz CUYNPZBFBXHDOQ-UHFFFAOYSA-N 1 0 339.842 3.961 50 0 EHAARO C[NH+](C)CCOC(=O)[C@H](C[C@@H]1CCCO1)c1cccc2ccccc21 ZINC000005674778 563545068 /nfs/dbraw/zinc/54/50/68/563545068.db2.gz WINDMCCYDFPNPV-FXAWDEMLSA-N 1 0 341.451 3.597 50 0 EHAARO O=C(NCc1ccccc1-c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000157641651 563642677 /nfs/dbraw/zinc/64/26/77/563642677.db2.gz LYRKPLNIHZUFEE-UHFFFAOYSA-N 1 0 328.843 3.623 50 0 EHAARO Cc1ccnc(N2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000011820851 563651133 /nfs/dbraw/zinc/65/11/33/563651133.db2.gz CVKDNNHTFJLCJH-HXUWFJFHSA-N 1 0 336.483 3.524 50 0 EHAARO COc1cc(-c2nc(C[N@@H+]3CCCC[C@H]3CCO)c(C)o2)ccc1F ZINC000012297733 563657334 /nfs/dbraw/zinc/65/73/34/563657334.db2.gz QWRPIYYHCZPIHP-HNNXBMFYSA-N 1 0 348.418 3.535 50 0 EHAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000012470439 563661817 /nfs/dbraw/zinc/66/18/17/563661817.db2.gz ZHGSOKJLARQEBZ-LJQANCHMSA-N 1 0 338.455 3.608 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)c1OC ZINC000012580116 563663808 /nfs/dbraw/zinc/66/38/08/563663808.db2.gz SILBCKPSPJCXRC-SFHVURJKSA-N 1 0 344.430 3.919 50 0 EHAARO OC[C@@]1(CCOc2ccccc2)CCC[N@H+](CCc2ccccc2)C1 ZINC000012715529 563669147 /nfs/dbraw/zinc/66/91/47/563669147.db2.gz PUNZOOJILYHJHK-JOCHJYFZSA-N 1 0 339.479 3.773 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(F)cc1F ZINC000012795557 563672785 /nfs/dbraw/zinc/67/27/85/563672785.db2.gz SPSIDASNKMZDSP-SFHVURJKSA-N 1 0 345.393 3.923 50 0 EHAARO COc1ccc([C@H](CNC(=O)Nc2ccccc2)[NH+]2CCCC2)cc1 ZINC000012984504 563682084 /nfs/dbraw/zinc/68/20/84/563682084.db2.gz HWAIHLFYOVYAHZ-IBGZPJMESA-N 1 0 339.439 3.654 50 0 EHAARO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000013057472 563686818 /nfs/dbraw/zinc/68/68/18/563686818.db2.gz IDWIJYWLGUTPOU-ZDUSSCGKSA-N 1 0 327.815 3.507 50 0 EHAARO COc1cc(NC(=O)C[N@H+](C)C2CCCCC2)c(OC)cc1Cl ZINC000013323073 563694570 /nfs/dbraw/zinc/69/45/70/563694570.db2.gz VIDADYOQOPRPDC-UHFFFAOYSA-N 1 0 340.851 3.560 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccs2)n(-c2ccccc2)n1 ZINC000014180704 563747369 /nfs/dbraw/zinc/74/73/69/563747369.db2.gz RVGJYIITLCNEAJ-CQSZACIVSA-N 1 0 340.452 3.532 50 0 EHAARO Fc1cccc(N[C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000015067008 563775536 /nfs/dbraw/zinc/77/55/36/563775536.db2.gz GSIQZZLFSWRGJU-INIZCTEOSA-N 1 0 342.443 3.907 50 0 EHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2)N3)C1 ZINC000004553986 563778027 /nfs/dbraw/zinc/77/80/27/563778027.db2.gz QWFWXHNTTBPADI-INIZCTEOSA-N 1 0 343.452 3.649 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)o1 ZINC000015860260 563796975 /nfs/dbraw/zinc/79/69/75/563796975.db2.gz BSCRAVPZJDETCD-INIZCTEOSA-N 1 0 332.831 3.808 50 0 EHAARO O=C(c1csc2ccccc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000016602507 563815850 /nfs/dbraw/zinc/81/58/50/563815850.db2.gz RMGYBEOFPREEMF-UHFFFAOYSA-N 1 0 328.481 3.992 50 0 EHAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000023282903 563919412 /nfs/dbraw/zinc/91/94/12/563919412.db2.gz QTGNGOOBUAPRHM-QGZVFWFLSA-N 1 0 342.458 3.978 50 0 EHAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000072268666 563920917 /nfs/dbraw/zinc/92/09/17/563920917.db2.gz NMDKTLUXSYOYFM-JKSUJKDBSA-N 1 0 343.496 3.662 50 0 EHAARO CCCc1n(CC)c2ccccc2[n+]1C[C@@H](O)COC1CCCCC1 ZINC000013572221 563930371 /nfs/dbraw/zinc/93/03/71/563930371.db2.gz UJBTTXGLMQHAKF-QGZVFWFLSA-N 1 0 345.507 3.611 50 0 EHAARO Cc1nc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)c(C)s1 ZINC000269866605 563932661 /nfs/dbraw/zinc/93/26/61/563932661.db2.gz SSDJXCHSFBUJOK-NVXWUHKLSA-N 1 0 341.480 3.516 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1cccn1-c1nccs1 ZINC000055107413 563933638 /nfs/dbraw/zinc/93/36/38/563933638.db2.gz RQNWYMYYKSXMSZ-OAHLLOKOSA-N 1 0 347.509 3.768 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(C)=O)cc1 ZINC000055132952 563933798 /nfs/dbraw/zinc/93/37/98/563933798.db2.gz NXQBVJHNMDOLEE-FQEVSTJZSA-N 1 0 329.415 3.801 50 0 EHAARO CNc1ncccc1C[N@@H+]1CCC[C@@H](COc2ccc(C)cc2)C1 ZINC000055182909 563933842 /nfs/dbraw/zinc/93/38/42/563933842.db2.gz BVGBZQJTEZBNNO-QGZVFWFLSA-N 1 0 325.456 3.723 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)cc1 ZINC000058049570 563936957 /nfs/dbraw/zinc/93/69/57/563936957.db2.gz HWUVCCYJVUIJAX-UHFFFAOYSA-N 1 0 325.387 3.618 50 0 EHAARO C[N@H+](Cc1ccccc1NC(=O)CCn1ccnc1)C1CCCCC1 ZINC000058264508 563941037 /nfs/dbraw/zinc/94/10/37/563941037.db2.gz QXIWARDDTWTVJN-UHFFFAOYSA-N 1 0 340.471 3.676 50 0 EHAARO CC1CC[NH+](CCNc2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000058407273 563945135 /nfs/dbraw/zinc/94/51/35/563945135.db2.gz SFQLEZSUSXACFR-UHFFFAOYSA-N 1 0 347.466 3.836 50 0 EHAARO FC(F)(F)c1cccc(C[C@@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000065405809 563960085 /nfs/dbraw/zinc/96/00/85/563960085.db2.gz BEQFOGJUESVQGW-QGZVFWFLSA-N 1 0 336.357 3.544 50 0 EHAARO CCCn1ccnc1C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065526420 563961830 /nfs/dbraw/zinc/96/18/30/563961830.db2.gz VMRDOBFFVWSDBZ-LJQANCHMSA-N 1 0 347.466 3.740 50 0 EHAARO Cc1cc(-n2cccn2)ccc1-c1nccn1CC[C@H]1CCC[N@H+]1C ZINC000067851359 563962938 /nfs/dbraw/zinc/96/29/38/563962938.db2.gz RSPRWIQTDTWVQK-QGZVFWFLSA-N 1 0 335.455 3.529 50 0 EHAARO COc1cc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C2CC2)ccc1O ZINC000097109563 563967963 /nfs/dbraw/zinc/96/79/63/563967963.db2.gz CQTRMNFCNPAWFS-UHFFFAOYSA-N 1 0 349.434 3.751 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C[C@H](C)O)c2ccccc2)c1 ZINC000097228494 563970602 /nfs/dbraw/zinc/97/06/02/563970602.db2.gz IOSBXVZHCTUGDU-TWOQFEAHSA-N 1 0 340.467 3.850 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)s2)o1 ZINC000097081305 563972793 /nfs/dbraw/zinc/97/27/93/563972793.db2.gz ZCDSMADWMXFSFS-TZMCWYRMSA-N 1 0 332.469 3.871 50 0 EHAARO Cc1ccc(CSc2ncc(C[NH+]3CCCCC3)c(=O)[nH]2)cc1 ZINC000043804334 563974282 /nfs/dbraw/zinc/97/42/82/563974282.db2.gz BDQKLJYMTSOACW-UHFFFAOYSA-N 1 0 329.469 3.769 50 0 EHAARO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091848225 563975849 /nfs/dbraw/zinc/97/58/49/563975849.db2.gz CCBSGZKALPKOJC-LJQANCHMSA-N 1 0 347.528 3.599 50 0 EHAARO Cc1ncsc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000092020685 563975945 /nfs/dbraw/zinc/97/59/45/563975945.db2.gz OLIQJVHVQZKSHK-FUHWJXTLSA-N 1 0 345.487 3.687 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cccc(Nc2cc[nH+]cc2)c1 ZINC000072289387 563976308 /nfs/dbraw/zinc/97/63/08/563976308.db2.gz VDXHLRCQCOYXPQ-CYBMUJFWSA-N 1 0 349.438 3.667 50 0 EHAARO CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095356809 563976745 /nfs/dbraw/zinc/97/67/45/563976745.db2.gz UDAKTDFINCIACV-IBGZPJMESA-N 1 0 344.499 3.686 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000095368347 563976794 /nfs/dbraw/zinc/97/67/94/563976794.db2.gz YIZKAEXAEHPZKG-MRXNPFEDSA-N 1 0 333.863 3.702 50 0 EHAARO CC(C)[NH+]1CCC(CC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000095375229 563976863 /nfs/dbraw/zinc/97/68/63/563976863.db2.gz LMUBLPMQVDTISR-INIZCTEOSA-N 1 0 335.517 3.707 50 0 EHAARO O=C(c1cccc2cnccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095377729 563976864 /nfs/dbraw/zinc/97/68/64/563976864.db2.gz ISZBCGQKBRIYIT-IEBWSBKVSA-N 1 0 349.478 3.571 50 0 EHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCc1cccc(Cl)c1Cl ZINC000095373732 563976868 /nfs/dbraw/zinc/97/68/68/563976868.db2.gz YWJBBDKHGBAHQY-AWEZNQCLSA-N 1 0 329.271 3.527 50 0 EHAARO O=C(CC[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1)NC1CC1 ZINC000095498220 563977067 /nfs/dbraw/zinc/97/70/67/563977067.db2.gz GCGYSLQZNRNCGV-UHFFFAOYSA-N 1 0 348.490 3.737 50 0 EHAARO CSc1cccc(CN(C)C(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000097805486 563981945 /nfs/dbraw/zinc/98/19/45/563981945.db2.gz CGQYLLOVJURRNZ-UHFFFAOYSA-N 1 0 344.480 3.870 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000237241221 563991121 /nfs/dbraw/zinc/99/11/21/563991121.db2.gz XJSBMVQSRJQSAQ-YUTCNCBUSA-N 1 0 341.282 3.555 50 0 EHAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)c1ccccc1C(F)(F)F ZINC000408519162 563993094 /nfs/dbraw/zinc/99/30/94/563993094.db2.gz KYBTUTIUMIJNER-JHJVBQTASA-N 1 0 328.378 3.537 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000005072077 563994207 /nfs/dbraw/zinc/99/42/07/563994207.db2.gz AKFHETQLWDXQGI-CYBMUJFWSA-N 1 0 331.301 3.552 50 0 EHAARO O=C(CCc1ccc(Cl)s1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044314976 563995069 /nfs/dbraw/zinc/99/50/69/563995069.db2.gz MNAAOKZTQMPKNJ-OAHLLOKOSA-N 1 0 348.899 3.725 50 0 EHAARO Cc1nn2c(nc(C)cc2NCC[NH+](C)C)c1-c1ccc(Cl)cc1 ZINC000005557317 564005436 /nfs/dbraw/zinc/00/54/36/564005436.db2.gz PLLMLCHEXRLQPJ-UHFFFAOYSA-N 1 0 343.862 3.640 50 0 EHAARO Cc1c(COC(C)C)cccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236602140 564005660 /nfs/dbraw/zinc/00/56/60/564005660.db2.gz HLRPTESQKCQXSF-ZNXRZULTSA-N 1 0 330.472 3.779 50 0 EHAARO Cc1nnc([C@@H](C)N2CCc3sc(-c4csc(C)n4)cc3C2)o1 ZINC000180881629 564013632 /nfs/dbraw/zinc/01/36/32/564013632.db2.gz HIZZSQDULBGHMB-SECBINFHSA-N 1 0 346.481 3.991 50 0 EHAARO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCCCCC1 ZINC000008132510 564016075 /nfs/dbraw/zinc/01/60/75/564016075.db2.gz CDTHIWPUENVKLY-FQEVSTJZSA-N 1 0 325.452 3.969 50 0 EHAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000015184682 564024061 /nfs/dbraw/zinc/02/40/61/564024061.db2.gz OWIVHDPVOGLMAY-AWEZNQCLSA-N 1 0 345.439 3.880 50 0 EHAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(c1ccccc1)c1ccccc1 ZINC000046993507 564025606 /nfs/dbraw/zinc/02/56/06/564025606.db2.gz QHEVYQLMQVNZQY-WOJBJXKFSA-N 1 0 334.463 3.562 50 0 EHAARO CCS[C@@H]1CCCC[N@@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000106852889 564026698 /nfs/dbraw/zinc/02/66/98/564026698.db2.gz CFBXXFHLHSCIDB-UKRRQHHQSA-N 1 0 332.473 3.800 50 0 EHAARO Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000045743404 564028647 /nfs/dbraw/zinc/02/86/47/564028647.db2.gz RKHYHCSAKZAGGN-ROUUACIJSA-N 1 0 343.515 3.647 50 0 EHAARO CCCNC(=O)c1cccc(C[NH2+]Cc2ccc(SC)cc2)c1 ZINC000047794351 564029747 /nfs/dbraw/zinc/02/97/47/564029747.db2.gz OFHQDQGUCAJKBT-UHFFFAOYSA-N 1 0 328.481 3.838 50 0 EHAARO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000048709606 564032086 /nfs/dbraw/zinc/03/20/86/564032086.db2.gz RCDNHDOQMGBXSY-CQSZACIVSA-N 1 0 340.471 3.837 50 0 EHAARO COc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc(OC)c1 ZINC000048747456 564032197 /nfs/dbraw/zinc/03/21/97/564032197.db2.gz MLVJUJHSWXHDNZ-UHFFFAOYSA-N 1 0 341.386 3.523 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(F)cc1 ZINC000008157214 564034769 /nfs/dbraw/zinc/03/47/69/564034769.db2.gz HZZNFJIBGKPXFX-MRXNPFEDSA-N 1 0 331.391 3.767 50 0 EHAARO COc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c2ccccc12 ZINC000030670923 564049936 /nfs/dbraw/zinc/04/99/36/564049936.db2.gz OCDQWOJGDXDBJR-UHFFFAOYSA-N 1 0 340.467 3.585 50 0 EHAARO Clc1cccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685940465 564051385 /nfs/dbraw/zinc/05/13/85/564051385.db2.gz BEABLYKFAUJXKC-UGSOOPFHSA-N 1 0 344.846 3.549 50 0 EHAARO C[NH2+]CCN(C)C(=O)c1cccc(CSc2ccc(C)cc2C)c1 ZINC000237358876 564051480 /nfs/dbraw/zinc/05/14/80/564051480.db2.gz OTNSDVRAWCAHGN-UHFFFAOYSA-N 1 0 342.508 3.887 50 0 EHAARO Cc1ccncc1C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241277734 564051939 /nfs/dbraw/zinc/05/19/39/564051939.db2.gz LISUTRPWCXXSGN-BEFAXECRSA-N 1 0 347.865 3.965 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1Cn1cncn1 ZINC000244796097 564052355 /nfs/dbraw/zinc/05/23/55/564052355.db2.gz RSRRUMNPCUDAMS-HXUWFJFHSA-N 1 0 348.450 3.672 50 0 EHAARO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000252478138 564053348 /nfs/dbraw/zinc/05/33/48/564053348.db2.gz AEEAPZCDGIIUNV-GOSISDBHSA-N 1 0 339.439 3.646 50 0 EHAARO O=C(CCC(F)(F)F)NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000252489292 564053474 /nfs/dbraw/zinc/05/34/74/564053474.db2.gz JNQYCPGWCRHLLY-OAHLLOKOSA-N 1 0 346.368 3.811 50 0 EHAARO Cc1nc2ccccc2n1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000012547293 564058932 /nfs/dbraw/zinc/05/89/32/564058932.db2.gz LVHZOXJICWPPEK-UHFFFAOYSA-N 1 0 333.435 3.897 50 0 EHAARO CNC(=O)COc1ccccc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000534663994 564061633 /nfs/dbraw/zinc/06/16/33/564061633.db2.gz RFTZCRALDSAWIW-MRXNPFEDSA-N 1 0 338.451 3.635 50 0 EHAARO CC1(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000293909629 564062767 /nfs/dbraw/zinc/06/27/67/564062767.db2.gz FXYPGAIRBVUSSZ-UHFFFAOYSA-N 1 0 326.484 3.691 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000012692333 564063296 /nfs/dbraw/zinc/06/32/96/564063296.db2.gz PHYUWWKBPPUWRE-GDBMZVCRSA-N 1 0 339.483 3.507 50 0 EHAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000083877556 564064116 /nfs/dbraw/zinc/06/41/16/564064116.db2.gz ULHVKLFCEVLOFM-VQTJNVASSA-N 1 0 338.451 3.506 50 0 EHAARO CC(C)CCSCC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000084510790 564068337 /nfs/dbraw/zinc/06/83/37/564068337.db2.gz ZSYLACCRRXEKQB-QGZVFWFLSA-N 1 0 332.513 3.777 50 0 EHAARO O=C(CCSc1ccccn1)Nc1ccccc1C[NH+]1CCCC1 ZINC000087104364 564077236 /nfs/dbraw/zinc/07/72/36/564077236.db2.gz VDTPEFWPWNAOKH-UHFFFAOYSA-N 1 0 341.480 3.798 50 0 EHAARO CCCCOc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000015880104 564077353 /nfs/dbraw/zinc/07/73/53/564077353.db2.gz WAHIQNTWRHRICO-UHFFFAOYSA-N 1 0 345.468 3.562 50 0 EHAARO Cc1ccc(NC(=O)NC(=O)[C@H](C)N(C)Cc2cccs2)c(C)c1 ZINC000012932933 564078919 /nfs/dbraw/zinc/07/89/19/564078919.db2.gz HQQDVATUIILPCT-AWEZNQCLSA-N 1 0 345.468 3.534 50 0 EHAARO Cc1ccc([C@@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000075108244 564080195 /nfs/dbraw/zinc/08/01/95/564080195.db2.gz NWSTVOAQXXPSFX-HZPDHXFCSA-N 1 0 348.537 3.812 50 0 EHAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC2)c1 ZINC000008428738 564082230 /nfs/dbraw/zinc/08/22/30/564082230.db2.gz SZAYCOFPTMCZFS-UHFFFAOYSA-N 1 0 333.435 3.859 50 0 EHAARO C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cc2cc(Cl)ccc2o1 ZINC000130060156 564082860 /nfs/dbraw/zinc/08/28/60/564082860.db2.gz VMANCCXWQUJTTM-CHWSQXEVSA-N 1 0 349.862 3.740 50 0 EHAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O ZINC000006244289 564083239 /nfs/dbraw/zinc/08/32/39/564083239.db2.gz SJFRZKMEDLGQOP-UHFFFAOYSA-N 1 0 332.444 3.888 50 0 EHAARO c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090543073 564084646 /nfs/dbraw/zinc/08/46/46/564084646.db2.gz KIHPVFXNHLCTQG-BPQIPLTHSA-N 1 0 335.538 3.661 50 0 EHAARO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000241862559 564088426 /nfs/dbraw/zinc/08/84/26/564088426.db2.gz SRCBQPGZXAXEHF-FUHWJXTLSA-N 1 0 326.465 3.905 50 0 EHAARO Cc1cn2c(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)c(C)nc2s1 ZINC000091958843 564088781 /nfs/dbraw/zinc/08/87/81/564088781.db2.gz IJCMEEVLYUYNTH-HOCLYGCPSA-N 1 0 345.468 3.694 50 0 EHAARO CCCN(C(=O)c1ccc(OC)cc1OCC[NH3+])C1CCCCCC1 ZINC000426497560 564093903 /nfs/dbraw/zinc/09/39/03/564093903.db2.gz YQAFZRWQRSQLBA-UHFFFAOYSA-N 1 0 348.487 3.608 50 0 EHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1C ZINC000036100592 564096109 /nfs/dbraw/zinc/09/61/09/564096109.db2.gz HLCCWTUDUHSESG-HXUWFJFHSA-N 1 0 327.468 3.955 50 0 EHAARO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)s1 ZINC000036101108 564096121 /nfs/dbraw/zinc/09/61/21/564096121.db2.gz ARLARXAARAEDCR-OAHLLOKOSA-N 1 0 337.485 3.828 50 0 EHAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000036489972 564102560 /nfs/dbraw/zinc/10/25/60/564102560.db2.gz OQLLYWLIHPTKFE-BEFAXECRSA-N 1 0 326.415 3.840 50 0 EHAARO CCCN(C)C(=O)c1c(C)oc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000065291966 564104684 /nfs/dbraw/zinc/10/46/84/564104684.db2.gz TVOCBUVQJFOLKA-UHFFFAOYSA-N 1 0 344.430 3.767 50 0 EHAARO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000170048975 564105042 /nfs/dbraw/zinc/10/50/42/564105042.db2.gz RTXWLOMAYYPZNO-KGLIPLIRSA-N 1 0 346.377 3.501 50 0 EHAARO COc1ccc(NC(=O)CCCC[NH+](C)C)cc1OC1CCCC1 ZINC000065608718 564108239 /nfs/dbraw/zinc/10/82/39/564108239.db2.gz GQZRFVXQYUVLDW-UHFFFAOYSA-N 1 0 334.460 3.687 50 0 EHAARO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000065622734 564108478 /nfs/dbraw/zinc/10/84/78/564108478.db2.gz CHCFMHFMXNPGQU-UHFFFAOYSA-N 1 0 348.450 3.945 50 0 EHAARO COc1cccc(C(=O)NC2CC[NH+]([C@@H](C)c3occc3C)CC2)c1 ZINC000170601069 564109365 /nfs/dbraw/zinc/10/93/65/564109365.db2.gz GDGUNGTXZQRDFU-HNNXBMFYSA-N 1 0 342.439 3.552 50 0 EHAARO C[C@@H]1CCC[C@@H](CC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000170608316 564109723 /nfs/dbraw/zinc/10/97/23/564109723.db2.gz RKPTXYMUJQEMHJ-IAGOWNOFSA-N 1 0 338.561 3.681 50 0 EHAARO Cn1ccnc1COc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000089761470 564113577 /nfs/dbraw/zinc/11/35/77/564113577.db2.gz XSUVWKRTUFWAGO-UHFFFAOYSA-N 1 0 348.450 3.559 50 0 EHAARO CC(C)c1nn(C)cc1CNc1cccc(C[NH+]2CCSCC2)c1 ZINC000089891135 564114884 /nfs/dbraw/zinc/11/48/84/564114884.db2.gz KNNFCWDMOJDBME-UHFFFAOYSA-N 1 0 344.528 3.704 50 0 EHAARO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccccc1)CC1CCC1 ZINC000252511381 564120089 /nfs/dbraw/zinc/12/00/89/564120089.db2.gz GEEPZPGWBFNJLF-UXHICEINSA-N 1 0 341.499 3.625 50 0 EHAARO Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(C)c2)cc1Cl ZINC000195445840 564123465 /nfs/dbraw/zinc/12/34/65/564123465.db2.gz PAEMZBTZLNZVTR-UHFFFAOYSA-N 1 0 337.872 3.650 50 0 EHAARO CCCc1noc(-c2cccc(C[NH2+][C@@H](C)C3CCOCC3)c2)n1 ZINC000195540649 564123655 /nfs/dbraw/zinc/12/36/55/564123655.db2.gz QWSFWRAUJPXXKQ-AWEZNQCLSA-N 1 0 329.444 3.594 50 0 EHAARO COC1(C[NH2+][C@H](c2cccc(Cl)c2F)C2CC2)CCOCC1 ZINC000195557735 564123740 /nfs/dbraw/zinc/12/37/40/564123740.db2.gz HEJZCUQMFGAKCN-INIZCTEOSA-N 1 0 327.827 3.715 50 0 EHAARO C[C@@H]([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000195558321 564123744 /nfs/dbraw/zinc/12/37/44/564123744.db2.gz OYYAXAILFKUAOA-WSVYEEACSA-N 1 0 343.279 3.847 50 0 EHAARO Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)ccc1Br ZINC000195553806 564123760 /nfs/dbraw/zinc/12/37/60/564123760.db2.gz SDADPSNBFJASEF-FTLABTOESA-N 1 0 332.307 3.565 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000007828385 564124047 /nfs/dbraw/zinc/12/40/47/564124047.db2.gz COHHIGFDKVMPNA-UHFFFAOYSA-N 1 0 349.478 3.869 50 0 EHAARO C[NH+](C)C[C@H](CNC(=O)C(C1CC1)C1CC1)c1ccc(Cl)cc1 ZINC000253417508 564130810 /nfs/dbraw/zinc/13/08/10/564130810.db2.gz KNUVJTVHZPKNHT-INIZCTEOSA-N 1 0 334.891 3.538 50 0 EHAARO CCCc1cc(CNC(=O)c2ccc([C@@H](C)[NH+]3CCCCC3)o2)on1 ZINC000584885898 564131468 /nfs/dbraw/zinc/13/14/68/564131468.db2.gz VLHFSVKHNOAJKE-CQSZACIVSA-N 1 0 345.443 3.697 50 0 EHAARO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000253431370 564131832 /nfs/dbraw/zinc/13/18/32/564131832.db2.gz GWCYOXOQMXOOOS-UZLBHIALSA-N 1 0 344.499 3.627 50 0 EHAARO Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCC2)n3C)cc1 ZINC000002350224 564132581 /nfs/dbraw/zinc/13/25/81/564132581.db2.gz VEQLBWRFFPGRDK-UHFFFAOYSA-N 1 0 348.450 3.730 50 0 EHAARO O=C(Nc1cccc(C[NH2+]Cc2ccc(F)cc2)c1)c1ccncc1 ZINC000055171879 564134362 /nfs/dbraw/zinc/13/43/62/564134362.db2.gz AEGHQJSEZOHYJE-UHFFFAOYSA-N 1 0 335.382 3.763 50 0 EHAARO Cc1cncc(CN2CCC[C@H]([N@H+](C)Cc3cncc(C)c3)CC2)c1 ZINC000225500900 564135577 /nfs/dbraw/zinc/13/55/77/564135577.db2.gz UQLWSEBSRRFIJI-NRFANRHFSA-N 1 0 338.499 3.580 50 0 EHAARO Cc1ccc(C)c(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000020218769 564139088 /nfs/dbraw/zinc/13/90/88/564139088.db2.gz CMNVBHHREHSQNL-HXUWFJFHSA-N 1 0 344.886 3.812 50 0 EHAARO CC[N@H+](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 ZINC000095356855 564139278 /nfs/dbraw/zinc/13/92/78/564139278.db2.gz JFQOHTDMQIWPPL-OAQYLSRUSA-N 1 0 334.463 3.645 50 0 EHAARO CN(C(=O)c1coc2ccccc12)C1CC[NH+](Cc2ccncc2)CC1 ZINC000095396704 564139477 /nfs/dbraw/zinc/13/94/77/564139477.db2.gz LSGHUYWXQJYJKW-UHFFFAOYSA-N 1 0 349.434 3.564 50 0 EHAARO c1c(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)nc2n1CCCC2 ZINC000095420216 564139937 /nfs/dbraw/zinc/13/99/37/564139937.db2.gz QDFMBRHLUUJGAC-GOSISDBHSA-N 1 0 337.467 3.798 50 0 EHAARO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)c(F)c(F)c1 ZINC000095420496 564139945 /nfs/dbraw/zinc/13/99/45/564139945.db2.gz IIUQBYDTHWOEOJ-VHSXEESVSA-N 1 0 340.311 3.639 50 0 EHAARO c1cnn(-c2ncccc2C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)c1 ZINC000095420119 564139951 /nfs/dbraw/zinc/13/99/51/564139951.db2.gz NVYPSSKXSNCPAJ-GOSISDBHSA-N 1 0 346.434 3.803 50 0 EHAARO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2sc(C(C)C)nc2C)c1 ZINC000095423007 564140148 /nfs/dbraw/zinc/14/01/48/564140148.db2.gz YLPOXIBTCSDAHH-CYBMUJFWSA-N 1 0 345.512 3.828 50 0 EHAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000095946722 564142245 /nfs/dbraw/zinc/14/22/45/564142245.db2.gz ULCSOXXQGPXUKG-LRDDRELGSA-N 1 0 344.842 3.953 50 0 EHAARO Fc1cccc(Cl)c1CN1CCC([NH2+]Cc2cccnc2)CC1 ZINC000095967087 564142984 /nfs/dbraw/zinc/14/29/84/564142984.db2.gz XHNIJOXZHZBJBL-UHFFFAOYSA-N 1 0 333.838 3.628 50 0 EHAARO C[C@H](CCc1cccn1C)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000095968614 564143190 /nfs/dbraw/zinc/14/31/90/564143190.db2.gz MQPAAUFQRLSRCG-WSTZPKSXSA-N 1 0 325.500 3.771 50 0 EHAARO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc2ccccc2n1 ZINC000095969226 564143378 /nfs/dbraw/zinc/14/33/78/564143378.db2.gz DSCVZDJDOYTSMP-HOCLYGCPSA-N 1 0 336.414 3.698 50 0 EHAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000095986366 564143913 /nfs/dbraw/zinc/14/39/13/564143913.db2.gz VYCMFQCEAAHWGU-OAHLLOKOSA-N 1 0 343.393 3.584 50 0 EHAARO COc1cc(F)c([C@@H](C)[NH2+]Cc2c(C)nc3ccccn32)cc1OC ZINC000095985184 564143931 /nfs/dbraw/zinc/14/39/31/564143931.db2.gz RRAHNIACZCUTQY-GFCCVEGCSA-N 1 0 343.402 3.650 50 0 EHAARO Cc1cc(C)n(C[C@@H](C)C[NH2+][C@H](CCc2ccccc2)C(F)F)n1 ZINC000095996293 564144226 /nfs/dbraw/zinc/14/42/26/564144226.db2.gz TZFAJFBURTXBDS-KBXCAEBGSA-N 1 0 335.442 3.992 50 0 EHAARO CC(C)COc1ccc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000096003643 564144469 /nfs/dbraw/zinc/14/44/69/564144469.db2.gz LYBVSHZMABSEBV-GBXCKJPGSA-N 1 0 345.508 3.931 50 0 EHAARO C[C@H](Cc1ccsc1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000096478062 564148520 /nfs/dbraw/zinc/14/85/20/564148520.db2.gz KUXXAOYPXGXORU-MRXNPFEDSA-N 1 0 342.508 3.821 50 0 EHAARO Clc1cc(Cl)cc(CN2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC000096502326 564148802 /nfs/dbraw/zinc/14/88/02/564148802.db2.gz IHLOWOSNWRPJDV-UHFFFAOYSA-N 1 0 343.298 3.726 50 0 EHAARO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000055404173 564149765 /nfs/dbraw/zinc/14/97/65/564149765.db2.gz CRDMMPKFDURCLO-KBPBESRZSA-N 1 0 343.446 3.533 50 0 EHAARO CC(C)(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000029899017 564154638 /nfs/dbraw/zinc/15/46/38/564154638.db2.gz HRGQJMZPWFIGCB-SFHVURJKSA-N 1 0 340.467 3.901 50 0 EHAARO Cc1ccoc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000057586158 564155049 /nfs/dbraw/zinc/15/50/49/564155049.db2.gz UASVFCRVPNPOTN-IYBDPMFKSA-N 1 0 340.467 3.996 50 0 EHAARO CCC[NH+]1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000003350457 564157601 /nfs/dbraw/zinc/15/76/01/564157601.db2.gz KQSFUAGQTYFWHU-UHFFFAOYSA-N 1 0 338.480 3.890 50 0 EHAARO c1nc(-c2ccccc2)sc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000066973201 564164923 /nfs/dbraw/zinc/16/49/23/564164923.db2.gz BXCRSBFYQPESMK-UHFFFAOYSA-N 1 0 330.453 3.585 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000040097674 564168024 /nfs/dbraw/zinc/16/80/24/564168024.db2.gz WWVLFTJTJCVYQR-CQSZACIVSA-N 1 0 341.839 3.965 50 0 EHAARO C[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000040120489 564168193 /nfs/dbraw/zinc/16/81/93/564168193.db2.gz OZDQCQONSXHERI-OLZOCXBDSA-N 1 0 341.402 3.530 50 0 EHAARO C[N@H+](CCCn1c2ccccc2oc1=O)[C@@H]1CCCc2ccccc21 ZINC000069350386 564168883 /nfs/dbraw/zinc/16/88/83/564168883.db2.gz FXGVRASFOLEBDC-GOSISDBHSA-N 1 0 336.435 3.994 50 0 EHAARO C[N@@H+]1CC[C@H](CNC(=O)C2=CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245658569 564172246 /nfs/dbraw/zinc/17/22/46/564172246.db2.gz FEUXQEVDVYPQJI-RHSMWYFYSA-N 1 0 336.838 3.698 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000009849816 564174698 /nfs/dbraw/zinc/17/46/98/564174698.db2.gz PVBYVWDKEQMFAX-AWEZNQCLSA-N 1 0 347.846 3.505 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(F)cc2)cc1 ZINC000009875288 564174727 /nfs/dbraw/zinc/17/47/27/564174727.db2.gz ANKBNSDAYVZLMU-UHFFFAOYSA-N 1 0 343.446 3.667 50 0 EHAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000246522769 564175048 /nfs/dbraw/zinc/17/50/48/564175048.db2.gz UUJUXCSTNKTQKE-SNRMKQJTSA-N 1 0 333.497 3.717 50 0 EHAARO COc1ccc(C[C@@H](C)[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000106136815 564177282 /nfs/dbraw/zinc/17/72/82/564177282.db2.gz JCOZZQNWKWNBJN-HZPDHXFCSA-N 1 0 343.467 3.864 50 0 EHAARO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cnn1C1CCCC1 ZINC000138227784 1027091314 /nfs/dbraw/zinc/09/13/14/1027091314.db2.gz UFHBKHGTEJJAEO-OAHLLOKOSA-N 1 0 346.519 3.547 50 0 EHAARO O[C@H](C[NH2+]C1CCCCCCC1)COCc1ccccc1Cl ZINC000006937397 1030104870 /nfs/dbraw/zinc/10/48/70/1030104870.db2.gz SNVNADSJRFMJGY-QGZVFWFLSA-N 1 0 325.880 3.920 50 0 EHAARO COc1ccc2nc(CN3CCC[C@H]([NH+]4CCCC4)CC3)sc2c1 ZINC000187067031 1037192289 /nfs/dbraw/zinc/19/22/89/1037192289.db2.gz RXDREEDNWRFCDM-HNNXBMFYSA-N 1 0 345.512 3.755 50 0 EHAARO COc1cccc2c1CC[C@@H]([NH2+]Cc1nc3cc(C)ccc3n1C)C2 ZINC000190527909 1037269503 /nfs/dbraw/zinc/26/95/03/1037269503.db2.gz PILOGJLHQUCVLE-MRXNPFEDSA-N 1 0 335.451 3.537 50 0 EHAARO Cc1cccc(NC(=O)N2CC(F)(F)C[C@H]2C[NH+]2CCCC2)c1C ZINC000257193259 1038538241 /nfs/dbraw/zinc/53/82/41/1038538241.db2.gz XTXQMSCFDNZTEH-HNNXBMFYSA-N 1 0 337.414 3.641 50 0 EHAARO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)/C=C\c1cccs1 ZINC000098063073 1039475702 /nfs/dbraw/zinc/47/57/02/1039475702.db2.gz OEJDAGWFTSZUTL-QXMHVHEDSA-N 1 0 328.481 3.788 50 0 EHAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000011665433 1128856039 /nfs/dbraw/zinc/85/60/39/1128856039.db2.gz TWXPQRAMEFKBKS-LJQANCHMSA-N 1 0 338.451 3.964 50 0 EHAARO O=C(/C=C\c1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033848665 1123196358 /nfs/dbraw/zinc/19/63/58/1123196358.db2.gz KZWUJDSUPVYGEO-HJWRWDBZSA-N 1 0 326.465 3.542 50 0 EHAARO Cc1ccc2[nH]c(C[NH2+]C3CCN(c4ccccc4C)CC3)nc2c1 ZINC000825206904 1131257661 /nfs/dbraw/zinc/25/76/61/1131257661.db2.gz YRJFCNHGPJNZCO-UHFFFAOYSA-N 1 0 334.467 3.938 50 0 EHAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cccnc2)C1 ZINC000012297745 1129499131 /nfs/dbraw/zinc/49/91/31/1129499131.db2.gz BLBADUBWTBTCEX-IBGZPJMESA-N 1 0 330.859 3.552 50 0 EHAARO CC(C)(C)c1ccc(OCc2nnc([C@@H]3CCC[C@H]([NH3+])C3)[nH]2)cc1 ZINC000827541533 1131383766 /nfs/dbraw/zinc/38/37/66/1131383766.db2.gz GSFUQMDXACRXPS-HIFRSBDPSA-N 1 0 328.460 3.666 50 0 EHAARO CC(=O)Nc1ccc2nc(C[N@H+](C)CCC[C@H]3CCCO3)ccc2c1 ZINC000823709306 1131080295 /nfs/dbraw/zinc/08/02/95/1131080295.db2.gz VXWVTKDZTFFFHV-IBGZPJMESA-N 1 0 341.455 3.584 50 0 EHAARO COc1ccc2c(c1)CCC[C@H]2NC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000824751196 1131216287 /nfs/dbraw/zinc/21/62/87/1131216287.db2.gz RBWVCXBFAKYUJE-LJQANCHMSA-N 1 0 342.483 3.597 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000581806348 1132368743 /nfs/dbraw/zinc/36/87/43/1132368743.db2.gz PNCZDEAMLIPLIT-IBGZPJMESA-N 1 0 337.467 3.865 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000581807150 1132369989 /nfs/dbraw/zinc/36/99/89/1132369989.db2.gz JNEOMOGWYOGEOZ-CQSZACIVSA-N 1 0 329.469 3.683 50 0 EHAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000581808004 1132371231 /nfs/dbraw/zinc/37/12/31/1132371231.db2.gz JFCDFKRSHMSYTN-UHFFFAOYSA-N 1 0 336.439 3.534 50 0 EHAARO c1sc(-c2ccc(C[NH+]3CCCCC3)cc2)nc1C1OCCO1 ZINC000585120658 1137012157 /nfs/dbraw/zinc/01/21/57/1137012157.db2.gz CQOBBPXTLRPQHV-UHFFFAOYSA-N 1 0 330.453 3.841 50 0 EHAARO OC1(CCC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000630061455 1137299001 /nfs/dbraw/zinc/29/90/01/1137299001.db2.gz XGXKOTADXMSFJW-ICSRJNTNSA-N 1 0 328.500 3.639 50 0 EHAARO COc1cccc2c1CC[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)C2 ZINC000192443234 1137455693 /nfs/dbraw/zinc/45/56/93/1137455693.db2.gz BPAZXKSGNZUKRA-LLVKDONJSA-N 1 0 342.386 3.818 50 0 EHAARO Cc1ccc([C@@H]([NH2+]Cc2cccc(OCCO)c2)c2ccncc2)cc1 ZINC000952868617 1137482934 /nfs/dbraw/zinc/48/29/34/1137482934.db2.gz BRJKPVFXUHFLPU-JOCHJYFZSA-N 1 0 348.446 3.640 50 0 EHAARO CC(C)Oc1cccc(C(=O)NCc2cnc3n2CCCC3)c1Cl ZINC000952876737 1137483165 /nfs/dbraw/zinc/48/31/65/1137483165.db2.gz VVTBRKMPGCMDGM-UHFFFAOYSA-N 1 0 347.846 3.590 50 0 EHAARO c1csc(-c2ncc(CN3CCO[C@@H](c4ccccc4)C3)cn2)c1 ZINC000952978981 1137484791 /nfs/dbraw/zinc/48/47/91/1137484791.db2.gz MKPWOSAEEAWZLL-QGZVFWFLSA-N 1 0 337.448 3.779 50 0 EHAARO CC(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2ccco2)C1 ZINC000952967965 1137484940 /nfs/dbraw/zinc/48/49/40/1137484940.db2.gz DRLKZTNOFXSXEQ-KRWDZBQOSA-N 1 0 326.440 3.683 50 0 EHAARO CC[N@H+](C)C[C@@H](C)CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000952985113 1137485487 /nfs/dbraw/zinc/48/54/87/1137485487.db2.gz BRTOERRJJAOMAW-ZDUSSCGKSA-N 1 0 334.847 3.918 50 0 EHAARO CC(C)(C)Oc1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000115777056 1141345729 /nfs/dbraw/zinc/34/57/29/1141345729.db2.gz ZGCQITVDLIBDFU-UHFFFAOYSA-N 1 0 345.487 3.956 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)s1 ZINC000008429996 201748973 /nfs/dbraw/zinc/74/89/73/201748973.db2.gz OBUACEKYAHAOGZ-UHFFFAOYSA-N 1 0 334.872 3.927 50 0 EHAARO COc1cccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)c1 ZINC000008613191 201754337 /nfs/dbraw/zinc/75/43/37/201754337.db2.gz CHHARMHHFVNUFC-SFHVURJKSA-N 1 0 330.472 3.566 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000012991467 201880022 /nfs/dbraw/zinc/88/00/22/201880022.db2.gz YGYVRJRMTSPBSN-UHFFFAOYSA-N 1 0 328.843 3.866 50 0 EHAARO Cc1cccnc1C[C@@H](C)N(C)C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020149323 202033745 /nfs/dbraw/zinc/03/37/45/202033745.db2.gz NMCIFNLODLKHFE-CABCVRRESA-N 1 0 343.496 3.579 50 0 EHAARO CCc1ccc([C@@](C)(O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440877 202041854 /nfs/dbraw/zinc/04/18/54/202041854.db2.gz JULWLWYVTQJTON-FCHUYYIVSA-N 1 0 339.479 3.573 50 0 EHAARO COc1ccc(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000020472873 202044123 /nfs/dbraw/zinc/04/41/23/202044123.db2.gz FDMQLKLVORZYDG-SFHVURJKSA-N 1 0 344.499 3.541 50 0 EHAARO Cc1ccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000020868984 202055993 /nfs/dbraw/zinc/05/59/93/202055993.db2.gz RNXSUYCOKFWOIP-IBGZPJMESA-N 1 0 344.499 3.631 50 0 EHAARO CC(C)CC[NH2+]Cc1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000020576799 202049220 /nfs/dbraw/zinc/04/92/20/202049220.db2.gz XXXNKLXJUXYLBU-UHFFFAOYSA-N 1 0 347.532 3.845 50 0 EHAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc(OCc2ccccc2)c1 ZINC000022078358 202078962 /nfs/dbraw/zinc/07/89/62/202078962.db2.gz WDSDWHQNSMKURR-XMSQKQJNSA-N 1 0 336.479 3.934 50 0 EHAARO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)no2)cc1 ZINC000021805601 202070908 /nfs/dbraw/zinc/07/09/08/202070908.db2.gz DNCUQCYXOFVENL-IBGZPJMESA-N 1 0 349.434 3.683 50 0 EHAARO Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024749252 202120437 /nfs/dbraw/zinc/12/04/37/202120437.db2.gz LTQVBAFFGIYOEP-UHFFFAOYSA-N 1 0 337.467 3.590 50 0 EHAARO COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c1OC ZINC000025356149 202129485 /nfs/dbraw/zinc/12/94/85/202129485.db2.gz BNQSEAKUQSAOGK-HNNXBMFYSA-N 1 0 337.423 3.740 50 0 EHAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000012387758 202134586 /nfs/dbraw/zinc/13/45/86/202134586.db2.gz KNTYLBVFQLUHBW-INIZCTEOSA-N 1 0 326.465 3.898 50 0 EHAARO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(C)c1 ZINC000026643378 202147038 /nfs/dbraw/zinc/14/70/38/202147038.db2.gz VOKYCNKEECNSRY-OAQYLSRUSA-N 1 0 337.463 3.932 50 0 EHAARO Cn1cc(C[NH2+]Cc2ccccc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000027393017 202154828 /nfs/dbraw/zinc/15/48/28/202154828.db2.gz OGFWHXUXBYRITD-UHFFFAOYSA-N 1 0 349.434 3.538 50 0 EHAARO COc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027580387 202157146 /nfs/dbraw/zinc/15/71/46/202157146.db2.gz JXDPJXVWNXDCPX-QGZVFWFLSA-N 1 0 344.480 3.714 50 0 EHAARO O=C(Cc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000028288151 202169639 /nfs/dbraw/zinc/16/96/39/202169639.db2.gz OOQNEOVFECYQHG-KRWDZBQOSA-N 1 0 328.481 3.634 50 0 EHAARO O[C@H](C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1ccccc1F ZINC000028909474 202178311 /nfs/dbraw/zinc/17/83/11/202178311.db2.gz BWUFJGJRZAMXID-GOSISDBHSA-N 1 0 340.398 3.880 50 0 EHAARO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029810759 202191161 /nfs/dbraw/zinc/19/11/61/202191161.db2.gz XAWNEKLVZMCCOA-INIZCTEOSA-N 1 0 348.899 3.979 50 0 EHAARO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCc2ccccc21 ZINC000029483028 202188504 /nfs/dbraw/zinc/18/85/04/202188504.db2.gz UZJZUKCVNLPVGK-OAHLLOKOSA-N 1 0 334.341 3.662 50 0 EHAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1n[nH]c2ccccc21 ZINC000031620335 202207005 /nfs/dbraw/zinc/20/70/05/202207005.db2.gz PDKIMZBYRRODST-UHFFFAOYSA-N 1 0 334.423 3.801 50 0 EHAARO O=C(/C=C/c1cccs1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000032217094 202222753 /nfs/dbraw/zinc/22/27/53/202222753.db2.gz CLXQNIZSZZRKFW-ZGKFYVQTSA-N 1 0 326.465 3.715 50 0 EHAARO CC(C)OCc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000032674931 202230267 /nfs/dbraw/zinc/23/02/67/202230267.db2.gz CJABPBZYLBWEMV-HXUWFJFHSA-N 1 0 340.467 3.644 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000032721270 202230907 /nfs/dbraw/zinc/23/09/07/202230907.db2.gz PDLBHELPGNEERP-NRFANRHFSA-N 1 0 345.446 3.802 50 0 EHAARO CCC[NH+]1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]c2C)CC1 ZINC000033139644 202250639 /nfs/dbraw/zinc/25/06/39/202250639.db2.gz KSYQYBHMHCVRNZ-UHFFFAOYSA-N 1 0 339.483 3.775 50 0 EHAARO CC(C)C[N@@H+](Cc1ccc(F)cc1F)C[C@@H](O)COc1ccccc1 ZINC000036099622 202314499 /nfs/dbraw/zinc/31/44/99/202314499.db2.gz LXDYAXIPODNLGK-GOSISDBHSA-N 1 0 349.421 3.863 50 0 EHAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000036102551 202316824 /nfs/dbraw/zinc/31/68/24/202316824.db2.gz FTRHOUABDLLNBQ-LJQANCHMSA-N 1 0 331.431 3.784 50 0 EHAARO COc1cccc(N(C(C)=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000037559456 202347091 /nfs/dbraw/zinc/34/70/91/202347091.db2.gz NBANTJZTTFKOOB-UHFFFAOYSA-N 1 0 338.451 3.713 50 0 EHAARO O=C(CC1CC[NH+](CCSc2ccccc2)CC1)N1CCCC1 ZINC000074349889 202373275 /nfs/dbraw/zinc/37/32/75/202373275.db2.gz ALXMMHIHPYSPIB-UHFFFAOYSA-N 1 0 332.513 3.503 50 0 EHAARO C[N@@H+]1C[C@@H](CNC(=O)Nc2ccccc2Cl)[C@@H](c2cccs2)C1 ZINC000227150506 201038742 /nfs/dbraw/zinc/03/87/42/201038742.db2.gz ZQBHOSGLZDBSEY-OLZOCXBDSA-N 1 0 349.887 3.868 50 0 EHAARO CC(C)C[C@@H](C)NC(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000075457192 201177695 /nfs/dbraw/zinc/17/76/95/201177695.db2.gz SRVWXMCUMQPDIG-MRXNPFEDSA-N 1 0 341.499 3.931 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000299739913 202543130 /nfs/dbraw/zinc/54/31/30/202543130.db2.gz SUMMZYBDXVPSDQ-AHLTXXRQSA-N 1 0 341.282 3.683 50 0 EHAARO CCOc1cccc(C[NH2+]Cc2cccc(NC(=O)C(C)C)c2)c1 ZINC000048686308 202610131 /nfs/dbraw/zinc/61/01/31/202610131.db2.gz VAFURTZSFYDPAT-UHFFFAOYSA-N 1 0 326.440 3.970 50 0 EHAARO C[C@@H](CO)C[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055254547 202686883 /nfs/dbraw/zinc/68/68/83/202686883.db2.gz XORHCONOETYOAX-CQSZACIVSA-N 1 0 338.373 3.731 50 0 EHAARO CCn1c(C)cc(O)c([C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1=O ZINC000022697545 212317859 /nfs/dbraw/zinc/31/78/59/212317859.db2.gz RYCTXYPXUCHORG-GOSISDBHSA-N 1 0 346.496 3.765 50 0 EHAARO CC(C)Cc1ccc(C[NH+]2CCC3(CC2)CCNC(=O)CC3)s1 ZINC000215202800 241112113 /nfs/dbraw/zinc/11/21/13/241112113.db2.gz NWXXCBXMPMCGMS-UHFFFAOYSA-N 1 0 334.529 3.829 50 0 EHAARO COc1ccc2[nH]c(C[NH+]3CCC(Cn4cccn4)CC3)c(C)c2c1 ZINC000215728368 241139851 /nfs/dbraw/zinc/13/98/51/241139851.db2.gz OYXTYSGQNDRLHB-UHFFFAOYSA-N 1 0 338.455 3.594 50 0 EHAARO COc1cccc2ccc(C[N@H+](C)Cc3ccc4c(c3)CN(C)C4)nc21 ZINC000216458355 241194924 /nfs/dbraw/zinc/19/49/24/241194924.db2.gz QFOCSQZFXRXNHT-UHFFFAOYSA-N 1 0 347.462 3.821 50 0 EHAARO COc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000000316712 201459575 /nfs/dbraw/zinc/45/95/75/201459575.db2.gz AZJUPOOOQKUGQB-UHFFFAOYSA-N 1 0 332.488 3.544 50 0 EHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1F ZINC000000350682 201462651 /nfs/dbraw/zinc/46/26/51/201462651.db2.gz DXZQQEGAZYMJPN-LJQANCHMSA-N 1 0 341.430 3.734 50 0 EHAARO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000225729021 242007266 /nfs/dbraw/zinc/00/72/66/242007266.db2.gz RILFARAQJKSPHG-CJNGLKHVSA-N 1 0 349.862 3.558 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[N@H+](CCO)Cc2ccccc2)cc1C ZINC000004678985 201611173 /nfs/dbraw/zinc/61/11/73/201611173.db2.gz PGUMUAWYIVZDFW-UHFFFAOYSA-N 1 0 335.451 3.688 50 0 EHAARO Cc1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)nc(N(C)C)n1 ZINC000241815954 243004319 /nfs/dbraw/zinc/00/43/19/243004319.db2.gz SEKMGBRWZCVKBR-NRFANRHFSA-N 1 0 346.478 3.925 50 0 EHAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 ZINC000067947811 202948908 /nfs/dbraw/zinc/94/89/08/202948908.db2.gz CDMQEUUBRUCINH-IUYQLWOBSA-N 1 0 340.423 3.988 50 0 EHAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000090608921 202995113 /nfs/dbraw/zinc/99/51/13/202995113.db2.gz XDNNQRWNFOAJQV-KRWDZBQOSA-N 1 0 349.544 3.885 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@H](C)[C@H]3COc4ccccc43)CC2)n1 ZINC000090845033 203040769 /nfs/dbraw/zinc/04/07/69/203040769.db2.gz BFFHPDGSQVCJEA-RHSMWYFYSA-N 1 0 343.496 3.575 50 0 EHAARO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCCCCF)CC1 ZINC000252503919 243827159 /nfs/dbraw/zinc/82/71/59/243827159.db2.gz VHHIWBNTLXSCIA-UHFFFAOYSA-N 1 0 327.831 3.525 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1Cn1ccnc1-c1cnc(C2CCCCC2)nc1 ZINC000071575376 203099636 /nfs/dbraw/zinc/09/96/36/203099636.db2.gz DUOOYWXMECECRW-GOSISDBHSA-N 1 0 339.487 3.872 50 0 EHAARO CC(=O)Nc1ccc2nc(C[N@H+]3C[C@@H]4CC(C)=CC[C@@H]4C3)ccc2c1 ZINC000071752161 203107826 /nfs/dbraw/zinc/10/78/26/203107826.db2.gz IKSCHFOAEZBEET-MSOLQXFVSA-N 1 0 335.451 3.981 50 0 EHAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](CCc3ccccn3)C2)cc1 ZINC000071753959 203108570 /nfs/dbraw/zinc/10/85/70/203108570.db2.gz ZWXXKQAJGUYROI-KRWDZBQOSA-N 1 0 340.492 3.941 50 0 EHAARO COc1cc(O)ccc1-c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071764946 203109987 /nfs/dbraw/zinc/10/99/87/203109987.db2.gz LUQGDKMCKKRHIX-KRWDZBQOSA-N 1 0 349.434 3.711 50 0 EHAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC000072133512 203166958 /nfs/dbraw/zinc/16/69/58/203166958.db2.gz OSLFQEONVFOFOY-CQSZACIVSA-N 1 0 346.368 3.725 50 0 EHAARO CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)s1 ZINC000072137269 203167775 /nfs/dbraw/zinc/16/77/75/203167775.db2.gz NHMIGMNKVHUKJW-INIZCTEOSA-N 1 0 345.512 3.902 50 0 EHAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)Nc2ccccc2)CC1 ZINC000072140292 203167843 /nfs/dbraw/zinc/16/78/43/203167843.db2.gz KQLCYZPYJONTGR-UHFFFAOYSA-N 1 0 337.467 3.857 50 0 EHAARO CN(Cc1ccc2ncccc2c1)C(=O)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000072143180 203167859 /nfs/dbraw/zinc/16/78/59/203167859.db2.gz PPGBCYCTKYXBRH-FQEVSTJZSA-N 1 0 345.446 3.584 50 0 EHAARO CC(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cc1 ZINC000072144016 203170472 /nfs/dbraw/zinc/17/04/72/203170472.db2.gz STTYZILFZMYNDD-UHFFFAOYSA-N 1 0 326.415 3.741 50 0 EHAARO CCc1nc(C)sc1CN(Cc1ccncc1)C1CC[NH+](C)CC1 ZINC000072153378 203174075 /nfs/dbraw/zinc/17/40/75/203174075.db2.gz XIOFPDZGYGAPIJ-UHFFFAOYSA-N 1 0 344.528 3.505 50 0 EHAARO OCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cccc(F)c2)c1 ZINC000072475839 203232171 /nfs/dbraw/zinc/23/21/71/203232171.db2.gz TXIDMQIGVMTBCL-HXUWFJFHSA-N 1 0 329.415 3.924 50 0 EHAARO CN1C[C@]2(CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)OC1=O ZINC000072423858 203220302 /nfs/dbraw/zinc/22/03/02/203220302.db2.gz ONZSHHDWKZNZCE-QFIPXVFZSA-N 1 0 348.446 3.674 50 0 EHAARO CN1C[C@]2(CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)OC1=O ZINC000072429833 203223227 /nfs/dbraw/zinc/22/32/27/203223227.db2.gz QOYQJKUVFLEIOK-NRFANRHFSA-N 1 0 336.435 3.770 50 0 EHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc2nsnc2c1 ZINC000077302067 203378448 /nfs/dbraw/zinc/37/84/48/203378448.db2.gz DTDLCROHEGEJCL-INIZCTEOSA-N 1 0 341.484 3.641 50 0 EHAARO CCOCc1cc(CN2CCC[N@@H+](C3CCCC3)CC2)ccc1OC ZINC000077386454 203384880 /nfs/dbraw/zinc/38/48/80/203384880.db2.gz SXKILGOBSLFQPN-UHFFFAOYSA-N 1 0 346.515 3.682 50 0 EHAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000077420141 203387328 /nfs/dbraw/zinc/38/73/28/203387328.db2.gz JTGGINWIMFCGGS-IBGZPJMESA-N 1 0 335.455 3.514 50 0 EHAARO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CCc2cccs2)o1 ZINC000077439985 203388433 /nfs/dbraw/zinc/38/84/33/203388433.db2.gz MPIHVFIJEPRQDJ-AWEZNQCLSA-N 1 0 332.469 3.688 50 0 EHAARO Cc1ccc([C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077471719 203390409 /nfs/dbraw/zinc/39/04/09/203390409.db2.gz GTSXTSCWNXMTPU-RBUKOAKNSA-N 1 0 340.492 3.551 50 0 EHAARO OC1CC[NH+](Cc2ccccc2NCc2ccc(Cl)s2)CC1 ZINC000089813926 203593760 /nfs/dbraw/zinc/59/37/60/203593760.db2.gz QKOXLJXEMCCPGF-UHFFFAOYSA-N 1 0 336.888 3.970 50 0 EHAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc3cc(Cl)ccc3n1)C2 ZINC000102146448 204033959 /nfs/dbraw/zinc/03/39/59/204033959.db2.gz FOUDYUXCARCJIW-QWHZDKJVSA-N 1 0 329.875 3.660 50 0 EHAARO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1F ZINC000108372390 204261592 /nfs/dbraw/zinc/26/15/92/204261592.db2.gz ICVJLKFKJRHNHB-JDFRZJQESA-N 1 0 325.449 3.540 50 0 EHAARO CC[NH+](CC)CC1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000049077142 204366817 /nfs/dbraw/zinc/36/68/17/204366817.db2.gz JGFPTQCNGXMALB-UHFFFAOYSA-N 1 0 341.499 3.681 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000129373184 205192102 /nfs/dbraw/zinc/19/21/02/205192102.db2.gz LZTPYZUNFXVPAW-CABCVRRESA-N 1 0 338.377 3.786 50 0 EHAARO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803864 206117694 /nfs/dbraw/zinc/11/76/94/206117694.db2.gz AGEQNJHVJLUIKM-XJKSGUPXSA-N 1 0 346.521 3.920 50 0 EHAARO CC1(C)CC(NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC(C)(C)[NH2+]1 ZINC000096165361 218640117 /nfs/dbraw/zinc/64/01/17/218640117.db2.gz URBIVIRCZFDCDH-UHFFFAOYSA-N 1 0 341.459 3.507 50 0 EHAARO C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000096493491 218871172 /nfs/dbraw/zinc/87/11/72/218871172.db2.gz VRTJDYPFUJYNQA-LLVKDONJSA-N 1 0 341.860 3.562 50 0 EHAARO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CCCC1 ZINC000097374483 219017383 /nfs/dbraw/zinc/01/73/83/219017383.db2.gz MDCKLQPEDTUZEP-GFCCVEGCSA-N 1 0 347.459 3.531 50 0 EHAARO C[C@@H](c1ccc(-c2cccc(OCC(N)=O)c2)cc1)[NH+]1CCCCC1 ZINC000426541786 257964087 /nfs/dbraw/zinc/96/40/87/257964087.db2.gz YJPQLGFXHCIEBI-INIZCTEOSA-N 1 0 338.451 3.765 50 0 EHAARO O=C(CCC[NH+]1CCCCCC1)NCc1ccc2ccccc2n1 ZINC000299771449 258083640 /nfs/dbraw/zinc/08/36/40/258083640.db2.gz XIVAKCWKBYPNBG-UHFFFAOYSA-N 1 0 325.456 3.507 50 0 EHAARO C[NH+](C)CC(C)(C)CNC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299779457 258088903 /nfs/dbraw/zinc/08/89/03/258088903.db2.gz RWWWFFQBFSEOEH-UHFFFAOYSA-N 1 0 334.851 3.598 50 0 EHAARO c1ncc(C[NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)s1 ZINC000135986237 258070344 /nfs/dbraw/zinc/07/03/44/258070344.db2.gz OAURNWIEVXBUAG-UHFFFAOYSA-N 1 0 334.448 3.831 50 0 EHAARO Fc1ccccc1CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000299765331 258080308 /nfs/dbraw/zinc/08/03/08/258080308.db2.gz MDMDSDCGGMOCRB-LJQANCHMSA-N 1 0 329.415 3.716 50 0 EHAARO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000240225407 527174765 /nfs/dbraw/zinc/17/47/65/527174765.db2.gz DHQBITVJZLAHDJ-RYUDHWBXSA-N 1 0 328.243 3.742 50 0 EHAARO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1 ZINC000241720952 535912810 /nfs/dbraw/zinc/91/28/10/535912810.db2.gz QTPHZYPCBNFQIZ-WBVHZDCISA-N 1 0 328.481 3.951 50 0 EHAARO COc1ccc2[nH+]c(C)cc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000005638031 537048442 /nfs/dbraw/zinc/04/84/42/537048442.db2.gz JGPZOOUILAFLSU-UHFFFAOYSA-N 1 0 333.435 3.878 50 0 EHAARO c1ccc(-c2cc(NCCN3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000000408692 563307705 /nfs/dbraw/zinc/30/77/05/563307705.db2.gz GSUHOMSETADTQR-UHFFFAOYSA-N 1 0 333.435 3.646 50 0 EHAARO CC[NH+](CC)CCNC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000002006202 563417967 /nfs/dbraw/zinc/41/79/67/563417967.db2.gz MFLHBPGLWSOMTJ-UHFFFAOYSA-N 1 0 332.488 3.571 50 0 EHAARO C[NH+](C)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000002596798 563443770 /nfs/dbraw/zinc/44/37/70/563443770.db2.gz HZXOVCBKJUESLO-UHFFFAOYSA-N 1 0 333.435 3.583 50 0 EHAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(C)cc1Br ZINC000002824217 563452920 /nfs/dbraw/zinc/45/29/20/563452920.db2.gz XZORRJGRPUBUJO-CYBMUJFWSA-N 1 0 330.266 3.541 50 0 EHAARO CC[C@]1(O)C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C[C@@H]1CC(C)C ZINC000003876054 563490153 /nfs/dbraw/zinc/49/01/53/563490153.db2.gz TUNMGCULOKMBNJ-MDKPJZGXSA-N 1 0 347.499 3.810 50 0 EHAARO COc1ccc(-c2noc(C[NH+]3[C@H](C)CCC[C@H]3C)n2)cc1OC ZINC000004487212 563503489 /nfs/dbraw/zinc/50/34/89/563503489.db2.gz IVQNNXPHXLZQCV-CHWSQXEVSA-N 1 0 331.416 3.517 50 0 EHAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccccc1F ZINC000004998015 563518191 /nfs/dbraw/zinc/51/81/91/563518191.db2.gz XYZHLPQTEAIRDD-QGZVFWFLSA-N 1 0 345.414 3.682 50 0 EHAARO Cc1c(Cl)cccc1NC(=S)NC1CC[NH+](C(C)C)CC1 ZINC000005041835 563519906 /nfs/dbraw/zinc/51/99/06/563519906.db2.gz GNERMRUKZGQKJS-UHFFFAOYSA-N 1 0 325.909 3.808 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1)c1ccccc1 ZINC000008535331 563631955 /nfs/dbraw/zinc/63/19/55/563631955.db2.gz KSGJBPSKDOKAHP-MRXNPFEDSA-N 1 0 340.467 3.831 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2F)CC1 ZINC000009062896 563641460 /nfs/dbraw/zinc/64/14/60/563641460.db2.gz YBTYXOKYFKRTOT-UHFFFAOYSA-N 1 0 326.415 3.985 50 0 EHAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)cc1F ZINC000011840724 563651326 /nfs/dbraw/zinc/65/13/26/563651326.db2.gz ASOVXYWVJVZTMX-KRWDZBQOSA-N 1 0 344.405 3.976 50 0 EHAARO CSc1cccc(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)c1 ZINC000011958132 563652161 /nfs/dbraw/zinc/65/21/61/563652161.db2.gz XRBXTVGIGVGYAZ-UHFFFAOYSA-N 1 0 332.513 3.679 50 0 EHAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c(OC)c1 ZINC000012373098 563658832 /nfs/dbraw/zinc/65/88/32/563658832.db2.gz JIJVKJSSDXXYSA-OAHLLOKOSA-N 1 0 331.456 3.931 50 0 EHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000012581888 563663821 /nfs/dbraw/zinc/66/38/21/563663821.db2.gz RVTCNQBVZIHZAO-SFHVURJKSA-N 1 0 347.462 3.977 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(F)cc1F ZINC000012795553 563672734 /nfs/dbraw/zinc/67/27/34/563672734.db2.gz SPSIDASNKMZDSP-GOSISDBHSA-N 1 0 345.393 3.923 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1F ZINC000012980768 563681261 /nfs/dbraw/zinc/68/12/61/563681261.db2.gz ZXMAMIOWWQBRKM-GOSISDBHSA-N 1 0 327.403 3.784 50 0 EHAARO Cc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(C)cc2)cc1 ZINC000013301755 563694251 /nfs/dbraw/zinc/69/42/51/563694251.db2.gz LUQRDFCAWSXCMR-JOCHJYFZSA-N 1 0 335.471 3.954 50 0 EHAARO O=C(NCCSCc1ccco1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013680356 563710491 /nfs/dbraw/zinc/71/04/91/563710491.db2.gz RIQRQIIGYAWIKV-UHFFFAOYSA-N 1 0 344.480 3.539 50 0 EHAARO Fc1cccc(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000013691015 563712230 /nfs/dbraw/zinc/71/22/30/563712230.db2.gz YUHOJNNEBQAJSN-QGZVFWFLSA-N 1 0 335.492 3.863 50 0 EHAARO COc1cccc2cc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3)oc21 ZINC000032740405 563721029 /nfs/dbraw/zinc/72/10/29/563721029.db2.gz VCMWOGGXXNJTHM-SFHVURJKSA-N 1 0 336.435 3.806 50 0 EHAARO Cc1cc(C)c(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1C ZINC000014880063 563766563 /nfs/dbraw/zinc/76/65/63/563766563.db2.gz AUCNUARGKRROIM-UHFFFAOYSA-N 1 0 346.478 3.929 50 0 EHAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+]1CC1CC1 ZINC000014949725 563767517 /nfs/dbraw/zinc/76/75/17/563767517.db2.gz RVROWFMVSKZQIE-QGZVFWFLSA-N 1 0 327.453 3.623 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc(F)cc1 ZINC000014949522 563767625 /nfs/dbraw/zinc/76/76/25/563767625.db2.gz TVHQRVHWIWEYBU-HXUWFJFHSA-N 1 0 340.442 3.653 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000016604017 563816600 /nfs/dbraw/zinc/81/66/00/563816600.db2.gz HITGBEPHXSCZGZ-UHFFFAOYSA-N 1 0 336.479 3.887 50 0 EHAARO CC(C)(C)C1CCC([N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1 ZINC000016672182 563820302 /nfs/dbraw/zinc/82/03/02/563820302.db2.gz MTZCWOHQHHJQGX-VEZWFGLTSA-N 1 0 328.500 3.872 50 0 EHAARO COc1ccc(/C=C/c2ccc3ccccc3[n+]2C)c(OC)c1OC ZINC000016998868 563828396 /nfs/dbraw/zinc/82/83/96/563828396.db2.gz YPDMWQRZQQPFQX-JLHYYAGUSA-N 1 0 336.411 3.861 50 0 EHAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000020538695 563859386 /nfs/dbraw/zinc/85/93/86/563859386.db2.gz RJWOSVQCFNIABQ-JOCHJYFZSA-N 1 0 349.522 3.782 50 0 EHAARO CC1CC[NH+](CCCNC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000043262989 563861247 /nfs/dbraw/zinc/86/12/47/563861247.db2.gz CMFVKGHORXXIFJ-UHFFFAOYSA-N 1 0 327.831 3.723 50 0 EHAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000247038674 563862820 /nfs/dbraw/zinc/86/28/20/563862820.db2.gz VDJAQVGANJUISD-PWSUYJOCSA-N 1 0 328.243 3.694 50 0 EHAARO COc1ccccc1N1CC[NH+]([C@H](C)CCc2ccc(O)cc2)CC1 ZINC000023283317 563919390 /nfs/dbraw/zinc/91/93/90/563919390.db2.gz VTDNKKOWQRDNNO-QGZVFWFLSA-N 1 0 340.467 3.544 50 0 EHAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000023282905 563919392 /nfs/dbraw/zinc/91/93/92/563919392.db2.gz QTGNGOOBUAPRHM-KRWDZBQOSA-N 1 0 342.458 3.978 50 0 EHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000269233671 563920611 /nfs/dbraw/zinc/92/06/11/563920611.db2.gz AYOCPCGWAZBDCL-BZPMIXESSA-N 1 0 343.298 3.758 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000269239522 563920614 /nfs/dbraw/zinc/92/06/14/563920614.db2.gz CGOFZMUMEOHHOW-OJXGSEEGSA-N 1 0 341.282 3.683 50 0 EHAARO CCOC(=O)CCCCCC(=O)c1ccccc1C[NH+]1CCCC1 ZINC000043211595 563925404 /nfs/dbraw/zinc/92/54/04/563925404.db2.gz URDNYZHDRSCTDW-UHFFFAOYSA-N 1 0 331.456 3.979 50 0 EHAARO Fc1cccc2ncnc(N3CCC[N@H+](Cc4cccs4)CC3)c12 ZINC000054058703 563932800 /nfs/dbraw/zinc/93/28/00/563932800.db2.gz DQOUQCVQZOUPAI-UHFFFAOYSA-N 1 0 342.443 3.543 50 0 EHAARO CS[C@H](C)CC[N@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055071766 563933488 /nfs/dbraw/zinc/93/34/88/563933488.db2.gz VOTGOVIWGYGPAM-OAHLLOKOSA-N 1 0 344.480 3.954 50 0 EHAARO CCOC(=O)c1n[nH]cc1C[N@H+](Cc1sccc1C)C1CCCC1 ZINC000055090647 563933656 /nfs/dbraw/zinc/93/36/56/563933656.db2.gz PQVGWFRCEIOYEB-UHFFFAOYSA-N 1 0 347.484 3.901 50 0 EHAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000058275402 563941371 /nfs/dbraw/zinc/94/13/71/563941371.db2.gz NEGXBUMKWHYOEV-OAHLLOKOSA-N 1 0 335.451 3.783 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000058421563 563945847 /nfs/dbraw/zinc/94/58/47/563945847.db2.gz JPHJCQNDDMEGPP-QGZVFWFLSA-N 1 0 330.451 3.526 50 0 EHAARO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000096423800 563951899 /nfs/dbraw/zinc/95/18/99/563951899.db2.gz GNLRJGWCWFPPOL-CQSZACIVSA-N 1 0 345.418 3.530 50 0 EHAARO CC(=O)N(c1nc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cs1)C1CC1 ZINC000096429075 563952276 /nfs/dbraw/zinc/95/22/76/563952276.db2.gz BPIAHZJGVZHIEM-LSDHHAIUSA-N 1 0 333.501 3.717 50 0 EHAARO CC(C)C[C@@H](C)[NH2+]C1CCN(c2ccc(N3CCCC3=O)cc2)CC1 ZINC000063846225 563956118 /nfs/dbraw/zinc/95/61/18/563956118.db2.gz VBRUVUVHRXLUGA-QGZVFWFLSA-N 1 0 343.515 3.806 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2cc(C(C)C)on2)CC1 ZINC000065372269 563958477 /nfs/dbraw/zinc/95/84/77/563958477.db2.gz NELMNCIITOTPCA-GOSISDBHSA-N 1 0 347.503 3.974 50 0 EHAARO Cc1ccc(C(=O)NCCC2=CCC[N@@H+]([C@H]3C=CCCC3)C2)cc1F ZINC000065373584 563958778 /nfs/dbraw/zinc/95/87/78/563958778.db2.gz JFWAKHJFMRHLOI-IBGZPJMESA-N 1 0 342.458 3.995 50 0 EHAARO Oc1ccc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cc1 ZINC000065460884 563961123 /nfs/dbraw/zinc/96/11/23/563961123.db2.gz WMXZMEXOANEAHI-FCHUYYIVSA-N 1 0 333.431 3.896 50 0 EHAARO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccco3)C2)cc1C ZINC000067676065 563962472 /nfs/dbraw/zinc/96/24/72/563962472.db2.gz SYHAGSPWSGGBDP-INIZCTEOSA-N 1 0 327.428 3.540 50 0 EHAARO CC(C)Oc1cccc(F)c1-c1ccccc1CN1CC[NH2+]CC1 ZINC000067771712 563962654 /nfs/dbraw/zinc/96/26/54/563962654.db2.gz RDLXNOHHWUXDMH-UHFFFAOYSA-N 1 0 328.431 3.685 50 0 EHAARO CCC[NH+]1CCC(Cc2noc(-c3cccc4cnccc43)n2)CC1 ZINC000067769682 563962672 /nfs/dbraw/zinc/96/26/72/563962672.db2.gz SPUFDPXFVUIHDP-UHFFFAOYSA-N 1 0 336.439 3.949 50 0 EHAARO Cc1oc(-c2ccco2)nc1CN(C)C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000067954383 563963147 /nfs/dbraw/zinc/96/31/47/563963147.db2.gz IPDBDDRENLDHFN-INIZCTEOSA-N 1 0 331.460 3.795 50 0 EHAARO COc1cccc2cc([C@H](C)[NH2+]CCc3c(C)nn(C)c3C)oc21 ZINC000097034413 563966913 /nfs/dbraw/zinc/96/69/13/563966913.db2.gz MGSGBBYOXWGIFE-ZDUSSCGKSA-N 1 0 327.428 3.685 50 0 EHAARO NC(=O)c1csc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000097035195 563966935 /nfs/dbraw/zinc/96/69/35/563966935.db2.gz CBMBRSCBZYTAOI-CQSZACIVSA-N 1 0 336.844 3.504 50 0 EHAARO CC(C)(C)c1n[nH]cc1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000097159369 563968351 /nfs/dbraw/zinc/96/83/51/563968351.db2.gz WCDQSLQYFQMBRX-UHFFFAOYSA-N 1 0 327.472 3.545 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1 ZINC000077555162 563970348 /nfs/dbraw/zinc/97/03/48/563970348.db2.gz LYVUPAARHDVIPD-FQEVSTJZSA-N 1 0 330.447 3.501 50 0 EHAARO O=c1[nH]c(SCc2ccc(F)cc2)ncc1C[NH+]1CCCCC1 ZINC000043804330 563974288 /nfs/dbraw/zinc/97/42/88/563974288.db2.gz IXHQALLJKXCTPA-UHFFFAOYSA-N 1 0 333.432 3.600 50 0 EHAARO C[C@@H]1C[N@H+](Cc2cnc(C3CCCCC3)nc2)CC[C@@]1(O)C1CC1 ZINC000091270387 563975176 /nfs/dbraw/zinc/97/51/76/563975176.db2.gz LODIZLXNTWAKKU-QRWLVFNGSA-N 1 0 329.488 3.507 50 0 EHAARO OC[C@]1(CC2CC2)CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000091645165 563975564 /nfs/dbraw/zinc/97/55/64/563975564.db2.gz GQIDIMPGPZEUNK-NRFANRHFSA-N 1 0 343.515 3.899 50 0 EHAARO Cn1ccnc1C1CC[NH+](CCCCOCc2ccccc2)CC1 ZINC000091645427 563975606 /nfs/dbraw/zinc/97/56/06/563975606.db2.gz WHIVHGDLJXFRNZ-UHFFFAOYSA-N 1 0 327.472 3.597 50 0 EHAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)s1 ZINC000091665211 563975686 /nfs/dbraw/zinc/97/56/86/563975686.db2.gz HKTLQIMCAORMGE-GOEBONIOSA-N 1 0 333.526 3.609 50 0 EHAARO COCC[C@]1(O)CC[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1C ZINC000091951373 563975921 /nfs/dbraw/zinc/97/59/21/563975921.db2.gz RYOYTRAHMHQRAQ-DYESRHJHSA-N 1 0 347.499 3.617 50 0 EHAARO Cc1ccsc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091915159 563975931 /nfs/dbraw/zinc/97/59/31/563975931.db2.gz WXFPMDIESSYMLP-SJLPKXTDSA-N 1 0 340.492 3.793 50 0 EHAARO OCc1cccc(C[C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3F)C2)c1 ZINC000091915171 563975935 /nfs/dbraw/zinc/97/59/35/563975935.db2.gz BDGATNSYLQUAEB-AWEZNQCLSA-N 1 0 335.369 3.661 50 0 EHAARO COc1cccc(-c2cnc(C[N@H+](C(C)C)C3CCOCC3)o2)c1 ZINC000072685491 563976256 /nfs/dbraw/zinc/97/62/56/563976256.db2.gz UMBRBTFHORFARB-UHFFFAOYSA-N 1 0 330.428 3.740 50 0 EHAARO C[C@@H](c1cncs1)N(C)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095362021 563976800 /nfs/dbraw/zinc/97/68/00/563976800.db2.gz CYJSVMHGIXLDPD-AWEZNQCLSA-N 1 0 335.517 3.707 50 0 EHAARO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)o1 ZINC000095365397 563976829 /nfs/dbraw/zinc/97/68/29/563976829.db2.gz UAEDIYPQOPIBNV-RBUKOAKNSA-N 1 0 339.483 3.724 50 0 EHAARO COCC1(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCC1 ZINC000095372847 563976849 /nfs/dbraw/zinc/97/68/49/563976849.db2.gz JFUKJJVURDZITE-UHFFFAOYSA-N 1 0 344.499 3.609 50 0 EHAARO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)ccc2o1 ZINC000095384725 563976900 /nfs/dbraw/zinc/97/69/00/563976900.db2.gz NIMCSTQUTATOKZ-PZJWPPBQSA-N 1 0 347.462 3.924 50 0 EHAARO O=C(NCc1ccc(Cl)s1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095392351 563976941 /nfs/dbraw/zinc/97/69/41/563976941.db2.gz MDSDRIYQXYQZGW-LBPRGKRZSA-N 1 0 338.860 3.523 50 0 EHAARO Cc1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000096139893 563979499 /nfs/dbraw/zinc/97/94/99/563979499.db2.gz QJOVFFIAJWGTOH-SFHVURJKSA-N 1 0 343.496 3.799 50 0 EHAARO COCC[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000097468069 563981545 /nfs/dbraw/zinc/98/15/45/563981545.db2.gz DSHIOAXQTMXNQH-FQEVSTJZSA-N 1 0 327.424 3.716 50 0 EHAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2)CC1 ZINC000097495082 563981591 /nfs/dbraw/zinc/98/15/91/563981591.db2.gz QMQQRHZMCOFKAC-QGZVFWFLSA-N 1 0 327.428 3.895 50 0 EHAARO CC(C)c1nc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)co1 ZINC000097743237 563981840 /nfs/dbraw/zinc/98/18/40/563981840.db2.gz VQXPOSDMOOQKRE-SFHVURJKSA-N 1 0 327.472 3.752 50 0 EHAARO Cc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000000262091 563989736 /nfs/dbraw/zinc/98/97/36/563989736.db2.gz MXAVGRBCNKFZPB-INIZCTEOSA-N 1 0 342.512 3.712 50 0 EHAARO Cc1c(CCOC(=O)c2ccccc2)sc[n+]1Cc1ccccc1 ZINC000000278173 563990139 /nfs/dbraw/zinc/99/01/39/563990139.db2.gz XDNXYWGWGVOOLQ-UHFFFAOYSA-N 1 0 338.452 3.792 50 0 EHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)C1 ZINC000179008180 563996392 /nfs/dbraw/zinc/99/63/92/563996392.db2.gz IUQCCAZNADVMQW-ZDUSSCGKSA-N 1 0 332.444 3.544 50 0 EHAARO COCCC[N@@H+]1Cc2ccc(NC(=O)c3cc(C)sc3C)cc2C1 ZINC000065530710 563998344 /nfs/dbraw/zinc/99/83/44/563998344.db2.gz JQFALBKJSWZDQY-UHFFFAOYSA-N 1 0 344.480 3.969 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)c1 ZINC000000523601 564021185 /nfs/dbraw/zinc/02/11/85/564021185.db2.gz MNMXLLKHUOPZLN-JOCHJYFZSA-N 1 0 348.490 3.792 50 0 EHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000105877291 564025341 /nfs/dbraw/zinc/02/53/41/564025341.db2.gz QFYJXEAVNQUNHK-ZWOKBUDYSA-N 1 0 344.499 3.727 50 0 EHAARO c1ccc([C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c2ccccn2)cc1 ZINC000195553825 564026493 /nfs/dbraw/zinc/02/64/93/564026493.db2.gz OFYIVWCVEFEQNH-IHPCNDPISA-N 1 0 340.492 3.815 50 0 EHAARO c1ccc(CC[NH2+]C2(c3nnnn3-c3ccccc3)CCCCC2)cc1 ZINC000046078117 564029462 /nfs/dbraw/zinc/02/94/62/564029462.db2.gz FTNFWHFUVASSHR-UHFFFAOYSA-N 1 0 347.466 3.654 50 0 EHAARO CC(C)[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc2c(c1)OCCO2 ZINC000047698230 564029639 /nfs/dbraw/zinc/02/96/39/564029639.db2.gz UBGKHLILLLMJGD-LJQANCHMSA-N 1 0 341.407 3.673 50 0 EHAARO CCCCOc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1OC ZINC000048314397 564030865 /nfs/dbraw/zinc/03/08/65/564030865.db2.gz OIAJZLMPAUWBDU-GHTZIAJQSA-N 1 0 341.451 3.622 50 0 EHAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccccc2Cl)CC1 ZINC000048338705 564031207 /nfs/dbraw/zinc/03/12/07/564031207.db2.gz OJSPQCZSOYTEIC-CYBMUJFWSA-N 1 0 340.920 3.811 50 0 EHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COC2CCCC2)cc1 ZINC000048374048 564031639 /nfs/dbraw/zinc/03/16/39/564031639.db2.gz VDRCLYIEJAAOOR-INIZCTEOSA-N 1 0 330.472 3.959 50 0 EHAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000000819275 564035245 /nfs/dbraw/zinc/03/52/45/564035245.db2.gz FESGCNHJAXOQDP-UHFFFAOYSA-N 1 0 336.479 3.832 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc2ccccc2[nH]1 ZINC000008430346 564035679 /nfs/dbraw/zinc/03/56/79/564035679.db2.gz DBNYIMNHWFRKOX-UHFFFAOYSA-N 1 0 333.435 3.694 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cc1F ZINC000024084549 564036415 /nfs/dbraw/zinc/03/64/15/564036415.db2.gz CBPGDGUFAPEIRK-CQSZACIVSA-N 1 0 325.387 3.871 50 0 EHAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)c2)n1 ZINC000252499363 564053508 /nfs/dbraw/zinc/05/35/08/564053508.db2.gz RZIGRMPGEBCEKR-GOSISDBHSA-N 1 0 335.455 3.592 50 0 EHAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000012494803 564058050 /nfs/dbraw/zinc/05/80/50/564058050.db2.gz HJNSVKDBEAPXGV-WIYYLYMNSA-N 1 0 339.479 3.885 50 0 EHAARO COc1ccccc1N1CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC000012562604 564059609 /nfs/dbraw/zinc/05/96/09/564059609.db2.gz NNESYQLNXUQGPJ-UHFFFAOYSA-N 1 0 335.451 3.509 50 0 EHAARO CCCC[N@@H+]1CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000003894363 564060291 /nfs/dbraw/zinc/06/02/91/564060291.db2.gz ZHBVPXBHHSJIMN-UNMCSNQZSA-N 1 0 337.463 3.879 50 0 EHAARO Cc1ccsc1CN(CC(C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC000534634121 564061320 /nfs/dbraw/zinc/06/13/20/564061320.db2.gz PDXGOCPSEOEVNG-UHFFFAOYSA-N 1 0 325.522 3.564 50 0 EHAARO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2cc3cc(F)ccc3o2)cn1 ZINC000083843490 564063734 /nfs/dbraw/zinc/06/37/34/564063734.db2.gz YRUBQYLGPLCTQN-YJYMSZOUSA-N 1 0 343.402 3.656 50 0 EHAARO C[N@H+](Cc1cc(=O)n2ccsc2n1)Cc1cccc2ccccc21 ZINC000053017066 564064176 /nfs/dbraw/zinc/06/41/76/564064176.db2.gz JJRYAFAIARCYNU-UHFFFAOYSA-N 1 0 335.432 3.541 50 0 EHAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccccc3Cl)C2)c1 ZINC000083973548 564065395 /nfs/dbraw/zinc/06/53/95/564065395.db2.gz YBXWJFSAPASWKY-OAHLLOKOSA-N 1 0 330.859 3.965 50 0 EHAARO FC(F)(F)c1nc2ccccc2c(NC2CC[NH+](C3CC3)CC2)n1 ZINC000084593250 564068875 /nfs/dbraw/zinc/06/88/75/564068875.db2.gz FCCLKSVOQPDGCO-UHFFFAOYSA-N 1 0 336.361 3.687 50 0 EHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000012784460 564070197 /nfs/dbraw/zinc/07/01/97/564070197.db2.gz SVKAYOXFMDMLSS-OAHLLOKOSA-N 1 0 349.261 3.998 50 0 EHAARO O=C(C[NH2+]CCc1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000006085961 564073770 /nfs/dbraw/zinc/07/37/70/564073770.db2.gz HOFKXEYXVUJZQF-UHFFFAOYSA-N 1 0 344.458 3.725 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2[nH]1 ZINC000014796357 564074195 /nfs/dbraw/zinc/07/41/95/564074195.db2.gz BWKNYNYDQQWFOL-UHFFFAOYSA-N 1 0 333.435 3.562 50 0 EHAARO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NCc3noc(C4CC4)n3)c2C1 ZINC000086205653 564075338 /nfs/dbraw/zinc/07/53/38/564075338.db2.gz TVMGVVOVCWSNKJ-CYBMUJFWSA-N 1 0 326.444 3.919 50 0 EHAARO COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2c(C)cc(C)nc2C)c1 ZINC000190924524 564084407 /nfs/dbraw/zinc/08/44/07/564084407.db2.gz SCXPKXVXBRPRQZ-RDJZCZTQSA-N 1 0 340.423 3.766 50 0 EHAARO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007385852 564087247 /nfs/dbraw/zinc/08/72/47/564087247.db2.gz RHLBIXDOXGTQLH-QGZVFWFLSA-N 1 0 328.500 3.779 50 0 EHAARO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1Cl ZINC000239415190 564088117 /nfs/dbraw/zinc/08/81/17/564088117.db2.gz TZCTZRCNJIEPCK-KBPBESRZSA-N 1 0 336.863 3.799 50 0 EHAARO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000240900702 564088264 /nfs/dbraw/zinc/08/82/64/564088264.db2.gz ITGYEGBVCFBUDO-AVYPCKFXSA-N 1 0 338.451 3.538 50 0 EHAARO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000240900703 564088278 /nfs/dbraw/zinc/08/82/78/564088278.db2.gz ITGYEGBVCFBUDO-MDOVXXIYSA-N 1 0 338.451 3.538 50 0 EHAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C12CCCC2 ZINC000241720865 564088406 /nfs/dbraw/zinc/08/84/06/564088406.db2.gz QSWUUCNZMSALJN-LJIZCISZSA-N 1 0 327.559 3.693 50 0 EHAARO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000241926501 564088433 /nfs/dbraw/zinc/08/84/33/564088433.db2.gz UGQFKQZCGJOCJM-DDBAPUKQSA-N 1 0 348.487 3.534 50 0 EHAARO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000245916221 564088909 /nfs/dbraw/zinc/08/89/09/564088909.db2.gz QAALMNGLMABZJY-KZNAEPCWSA-N 1 0 345.487 3.510 50 0 EHAARO O[C@H](C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc(F)ccc1F ZINC000248712142 564089298 /nfs/dbraw/zinc/08/92/98/564089298.db2.gz CXHGIFQJPBQTBQ-VOBQZIQPSA-N 1 0 347.405 3.756 50 0 EHAARO Cc1ccc(N2CCN(Cc3ccccc3)[C@@H](C)C2=O)cc1Cl ZINC000035798949 564090206 /nfs/dbraw/zinc/09/02/06/564090206.db2.gz HXJOCKUZBWIJHW-HNNXBMFYSA-N 1 0 328.843 3.886 50 0 EHAARO C[S@](=O)c1ccc(CNc2ccccc2C[NH+]2CCCC2)cc1 ZINC000089493234 564090828 /nfs/dbraw/zinc/09/08/28/564090828.db2.gz YVMFVTSCGBUCIV-HSZRJFAPSA-N 1 0 328.481 3.632 50 0 EHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccccc3C(F)(F)F)[C@H]2C1 ZINC000426412841 564093676 /nfs/dbraw/zinc/09/36/76/564093676.db2.gz YHMCPHVTADMWEU-HYVNUMGLSA-N 1 0 343.389 3.864 50 0 EHAARO CCCCN(Cc1ccc(C)s1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000426596423 564094179 /nfs/dbraw/zinc/09/41/79/564094179.db2.gz CSNMLIAAFQLJSW-INIZCTEOSA-N 1 0 337.533 3.853 50 0 EHAARO OC1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000006651002 564095410 /nfs/dbraw/zinc/09/54/10/564095410.db2.gz IEDGEWOKYQHAAH-UHFFFAOYSA-N 1 0 328.437 3.949 50 0 EHAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096982 564095972 /nfs/dbraw/zinc/09/59/72/564095972.db2.gz WJRXJZKIODXEEB-SFHVURJKSA-N 1 0 333.859 3.992 50 0 EHAARO Cc1ccc(C)c(CNC(=O)C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC000064817961 564096463 /nfs/dbraw/zinc/09/64/63/564096463.db2.gz CBSAPWBQUAKPOS-UHFFFAOYSA-N 1 0 334.463 3.752 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2ccc(C)o2)c2ccccc2OC)CC1 ZINC000065593910 564108045 /nfs/dbraw/zinc/10/80/45/564108045.db2.gz FJUDJYIIFVHSRP-UHFFFAOYSA-N 1 0 342.439 3.728 50 0 EHAARO O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000010219476 564111053 /nfs/dbraw/zinc/11/10/53/564111053.db2.gz VMFLBXUVLSSVRV-UHFFFAOYSA-N 1 0 334.463 3.952 50 0 EHAARO CSC1(C[NH2+][C@H](C)c2ccc(Br)o2)CCOCC1 ZINC000193008754 564114216 /nfs/dbraw/zinc/11/42/16/564114216.db2.gz KOAGPSLQSJEXFG-SNVBAGLBSA-N 1 0 334.279 3.605 50 0 EHAARO CC(C)n1ccc(CC[NH2+]Cc2ccc(Cl)c3cccnc23)n1 ZINC000089894100 564114944 /nfs/dbraw/zinc/11/49/44/564114944.db2.gz YPSCXGDHHYNGHZ-UHFFFAOYSA-N 1 0 328.847 3.998 50 0 EHAARO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000089904543 564114983 /nfs/dbraw/zinc/11/49/83/564114983.db2.gz TUOJEWXSGCOZFE-SNVBAGLBSA-N 1 0 327.259 3.593 50 0 EHAARO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000076094923 564115736 /nfs/dbraw/zinc/11/57/36/564115736.db2.gz RYFWCESXZLRZSE-QAPCUYQASA-N 1 0 336.439 3.638 50 0 EHAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000089948989 564115762 /nfs/dbraw/zinc/11/57/62/564115762.db2.gz YOUDPAZFSBIHNO-UTKZUKDTSA-N 1 0 340.467 3.585 50 0 EHAARO CCOCCC1(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)CCC1 ZINC000089967764 564115967 /nfs/dbraw/zinc/11/59/67/564115967.db2.gz XOVNIRIFVBEVNP-LJQANCHMSA-N 1 0 346.515 3.783 50 0 EHAARO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000090086899 564116256 /nfs/dbraw/zinc/11/62/56/564116256.db2.gz FWQMHLAUCFZDGY-XHDPSFHLSA-N 1 0 326.278 3.823 50 0 EHAARO CCCC(=O)NC1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000170633022 564116368 /nfs/dbraw/zinc/11/63/68/564116368.db2.gz MZAWCQZDWNHQOI-UHFFFAOYSA-N 1 0 331.847 3.773 50 0 EHAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000090220957 564116471 /nfs/dbraw/zinc/11/64/71/564116471.db2.gz WLDVIEUKEGFLBK-VERVWZFWSA-N 1 0 337.872 3.937 50 0 EHAARO Cc1cn2c(CNCCC[N@@H+](C)Cc3ccccc3)c(C)nc2s1 ZINC000237078770 564117726 /nfs/dbraw/zinc/11/77/26/564117726.db2.gz FZKJVUQLZLPDGQ-UHFFFAOYSA-N 1 0 342.512 3.624 50 0 EHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000237494677 564117748 /nfs/dbraw/zinc/11/77/48/564117748.db2.gz VMGGYTPTGPIHIK-ABAIWWIYSA-N 1 0 348.368 3.723 50 0 EHAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC000252477853 564119082 /nfs/dbraw/zinc/11/90/82/564119082.db2.gz WLJWOZWZZKPKTJ-ZWKOTPCHSA-N 1 0 327.497 3.869 50 0 EHAARO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1nnc2ccccn21 ZINC000252486357 564119360 /nfs/dbraw/zinc/11/93/60/564119360.db2.gz JFNXDOGXBHOGOL-LZLYRXPVSA-N 1 0 336.439 3.548 50 0 EHAARO CCN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cn1 ZINC000252492280 564119602 /nfs/dbraw/zinc/11/96/02/564119602.db2.gz MHFKCTKRIDMFEK-HXUWFJFHSA-N 1 0 335.451 3.514 50 0 EHAARO C[NH2+]C[C@@H](C)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000170677535 564121385 /nfs/dbraw/zinc/12/13/85/564121385.db2.gz YALGCBFDAKOAOC-RDTXWAMCSA-N 1 0 330.859 3.596 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1cccc(O)c1 ZINC000194860253 564122338 /nfs/dbraw/zinc/12/23/38/564122338.db2.gz IZVJNMKCWUMJRE-OAHLLOKOSA-N 1 0 347.418 3.890 50 0 EHAARO Cc1cccc2nc(C[NH2+][C@H](C)c3cccc(-n4ccnc4)c3)cn21 ZINC000195577341 564123925 /nfs/dbraw/zinc/12/39/25/564123925.db2.gz PZYXQOJEBXTBGW-MRXNPFEDSA-N 1 0 331.423 3.679 50 0 EHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cccc2c1ccn2C ZINC000253414973 564130677 /nfs/dbraw/zinc/13/06/77/564130677.db2.gz ZGFKIIPXLSTKKE-QFBILLFUSA-N 1 0 339.483 3.515 50 0 biogenic EHAARO Cc1ccc(C)n1CCCC(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253409878 564130683 /nfs/dbraw/zinc/13/06/83/564130683.db2.gz MOUNWOZOZDKKEF-VQTJNVASSA-N 1 0 345.531 3.608 50 0 biogenic EHAARO C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000253431354 564131826 /nfs/dbraw/zinc/13/18/26/564131826.db2.gz GWCYOXOQMXOOOS-JXFKEZNVSA-N 1 0 344.499 3.627 50 0 EHAARO CC(C)c1ncncc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000298751875 564133725 /nfs/dbraw/zinc/13/37/25/564133725.db2.gz OOOQPBVPUVATGQ-UHFFFAOYSA-N 1 0 338.455 3.838 50 0 EHAARO COC(=O)C1CCC([NH2+][C@H](C)c2ccc(-c3cncnc3)cc2)CC1 ZINC000225424081 564134594 /nfs/dbraw/zinc/13/45/94/564134594.db2.gz ZKVBGFGNFJSYEA-ZCGYKAAXSA-N 1 0 339.439 3.526 50 0 EHAARO Cc1nc(CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000277100739 564137935 /nfs/dbraw/zinc/13/79/35/564137935.db2.gz TZBZBYJUQHRNGA-JKSUJKDBSA-N 1 0 340.851 3.906 50 0 EHAARO COc1cccc([C@@H](C)[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000079498265 564138236 /nfs/dbraw/zinc/13/82/36/564138236.db2.gz QVRXCZLSNFYLMN-OXQOHEQNSA-N 1 0 333.472 3.806 50 0 EHAARO FC(F)n1ccnc1CC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095415447 564139732 /nfs/dbraw/zinc/13/97/32/564139732.db2.gz WCWXSRZNCMLJHU-UHFFFAOYSA-N 1 0 336.773 3.812 50 0 EHAARO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCc4sccc43)cn2)CCO1 ZINC000095420356 564139908 /nfs/dbraw/zinc/13/99/08/564139908.db2.gz FWLJBSGNLQZFNG-RHSMWYFYSA-N 1 0 343.496 3.535 50 0 EHAARO Cc1c([C@@H](C)[NH2+]Cc2cccc3cccnc32)cnn1-c1ccccn1 ZINC000095421282 564139998 /nfs/dbraw/zinc/13/99/98/564139998.db2.gz QNHXPPNJDGNSKS-OAHLLOKOSA-N 1 0 343.434 3.975 50 0 EHAARO Cc1csc(CCC[NH2+][C@H](C)CC(=O)Nc2ccc(F)cc2)n1 ZINC000095421638 564140060 /nfs/dbraw/zinc/14/00/60/564140060.db2.gz NKLCBZGCXOORRH-GFCCVEGCSA-N 1 0 335.448 3.530 50 0 EHAARO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095422415 564140091 /nfs/dbraw/zinc/14/00/91/564140091.db2.gz UDAOEQFULLSWJS-NEPJUHHUSA-N 1 0 342.443 3.987 50 0 EHAARO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1C)c1c(C)nn(C)c1C ZINC000095423449 564140211 /nfs/dbraw/zinc/14/02/11/564140211.db2.gz XIKBZGDBBPPIHC-PBHICJAKSA-N 1 0 342.487 3.803 50 0 EHAARO COc1cccc(CN(C)[C@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000095431945 564140366 /nfs/dbraw/zinc/14/03/66/564140366.db2.gz YFLROEDJYNVZKM-LJQANCHMSA-N 1 0 337.398 3.846 50 0 EHAARO CC(C)(C)SCCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000095436027 564140428 /nfs/dbraw/zinc/14/04/28/564140428.db2.gz OZQOVARFLDGRFF-MRXNPFEDSA-N 1 0 326.550 3.775 50 0 EHAARO Cc1cc2cc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2[nH]1 ZINC000155919186 564141745 /nfs/dbraw/zinc/14/17/45/564141745.db2.gz IJPQOBULEMQHNJ-INIZCTEOSA-N 1 0 340.471 3.816 50 0 EHAARO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000095941451 564142034 /nfs/dbraw/zinc/14/20/34/564142034.db2.gz PDQMTQIEDIPERQ-KGLIPLIRSA-N 1 0 334.441 3.615 50 0 EHAARO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000095960099 564142669 /nfs/dbraw/zinc/14/26/69/564142669.db2.gz QPNBCVZTVXMEIK-AWEZNQCLSA-N 1 0 341.842 3.743 50 0 EHAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H](CCc2ccccc2)C(F)F)n1 ZINC000095996292 564144250 /nfs/dbraw/zinc/14/42/50/564144250.db2.gz TZFAJFBURTXBDS-KDOFPFPSSA-N 1 0 335.442 3.992 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNc1ncccc1-c1nnc(-c2ccccc2)o1 ZINC000096338970 564146825 /nfs/dbraw/zinc/14/68/25/564146825.db2.gz MROMVFYPJXZZBR-MRXNPFEDSA-N 1 0 349.438 3.695 50 0 EHAARO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000097238359 564149578 /nfs/dbraw/zinc/14/95/78/564149578.db2.gz QONNYCNODVPBRE-LBPRGKRZSA-N 1 0 346.441 3.586 50 0 EHAARO CCCC[NH+](CCCC)CC(C)(C)NS(=O)(=O)c1ccccc1 ZINC000003179646 564155708 /nfs/dbraw/zinc/15/57/08/564155708.db2.gz VPWQVKYFDTXXIY-UHFFFAOYSA-N 1 0 340.533 3.646 50 0 EHAARO Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)CCS2 ZINC000163085397 564156459 /nfs/dbraw/zinc/15/64/59/564156459.db2.gz CWHGOOZLIUNIPB-SMDDNHRTSA-N 1 0 348.409 3.836 50 0 EHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003256635 564156656 /nfs/dbraw/zinc/15/66/56/564156656.db2.gz AZBVDJMXKPDOBD-CYBMUJFWSA-N 1 0 330.394 3.946 50 0 EHAARO CC(C)c1nnc(N(C)Cc2ccccc2C[NH+]2CCCC2)s1 ZINC000670441798 564157971 /nfs/dbraw/zinc/15/79/71/564157971.db2.gz LZYLALOPPKNJJC-UHFFFAOYSA-N 1 0 330.501 3.894 50 0 EHAARO Cc1cc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)no1 ZINC000008037061 564162313 /nfs/dbraw/zinc/16/23/13/564162313.db2.gz UFEBEUQGJFOXAQ-UHFFFAOYSA-N 1 0 345.418 3.896 50 0 EHAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCc1ccc(Cl)cc1 ZINC000008320373 564164297 /nfs/dbraw/zinc/16/42/97/564164297.db2.gz IVCLQBSYUKAWDM-HNNXBMFYSA-N 1 0 334.872 3.855 50 0 EHAARO CC(C)[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2Cc1ccccc1 ZINC000008394141 564165044 /nfs/dbraw/zinc/16/50/44/564165044.db2.gz RXNGWRYNOBANSH-UHFFFAOYSA-N 1 0 349.478 3.955 50 0 EHAARO Cc1noc(C)c1C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400479 564165817 /nfs/dbraw/zinc/16/58/17/564165817.db2.gz UQHDWABTTBDYFM-SFHVURJKSA-N 1 0 334.847 3.890 50 0 EHAARO Cc1ccccc1[C@H](Nc1ncnc2c1CC[NH2+]C2)c1ccccc1 ZINC000067675989 564166297 /nfs/dbraw/zinc/16/62/97/564166297.db2.gz OUPJOHKULSBRNY-HXUWFJFHSA-N 1 0 330.435 3.632 50 0 EHAARO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000069440826 564169496 /nfs/dbraw/zinc/16/94/96/564169496.db2.gz CXLVZIBZXAULSP-INIZCTEOSA-N 1 0 344.455 3.931 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2c1C ZINC000009513576 564173942 /nfs/dbraw/zinc/17/39/42/564173942.db2.gz CZGHJLBGKAOEQG-HXUWFJFHSA-N 1 0 335.451 3.817 50 0 EHAARO C[NH+](C)CCN(C(=O)c1ccccc1)c1nc2ccc(F)cc2s1 ZINC000010461185 564176006 /nfs/dbraw/zinc/17/60/06/564176006.db2.gz CPPUSSZOEMAAHV-UHFFFAOYSA-N 1 0 343.427 3.644 50 0 EHAARO Cc1c(C)n(C)c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc12 ZINC000006911030 568421001 /nfs/dbraw/zinc/42/10/01/568421001.db2.gz BEXMDGNQJXWHRO-OAHLLOKOSA-N 1 0 341.499 3.789 50 0 EHAARO CCOC1CC2(C1)CC[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000289547832 1018862277 /nfs/dbraw/zinc/86/22/77/1018862277.db2.gz IJUGAZGCXQSSCY-UHFFFAOYSA-N 1 0 325.399 3.722 50 0 EHAARO Cc1cccnc1/C=C/C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000170595191 1033286440 /nfs/dbraw/zinc/28/64/40/1033286440.db2.gz BHRQOAIAKNCQAW-VAWYXSNFSA-N 1 0 349.478 3.706 50 0 EHAARO C[NH+](C)CCCCC(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000557402477 1031255485 /nfs/dbraw/zinc/25/54/85/1031255485.db2.gz FMVFIGGKWVIOHE-HXUWFJFHSA-N 1 0 328.431 3.763 50 0 EHAARO CCc1nc([C@@H]2C[N@H+](CCc3ccccc3)CC23CCCC3)no1 ZINC000257174307 1038297937 /nfs/dbraw/zinc/29/79/37/1038297937.db2.gz FMWMCSAHDBUIEE-KRWDZBQOSA-N 1 0 325.456 3.834 50 0 EHAARO O=C(CCCc1csc2ccccc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000150966920 1040428641 /nfs/dbraw/zinc/42/86/41/1040428641.db2.gz ANLQFVXQAYQOQO-KRWDZBQOSA-N 1 0 342.508 3.921 50 0 EHAARO Fc1cc2c(cc1Cl)[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)CC2 ZINC000527858583 1127600767 /nfs/dbraw/zinc/60/07/67/1127600767.db2.gz LKKLJOCKEVVXTK-DYVFJYSZSA-N 1 0 346.837 3.515 50 0 EHAARO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000449295184 1128019065 /nfs/dbraw/zinc/01/90/65/1128019065.db2.gz QJEVDNQBVGVYIK-WSTZPKSXSA-N 1 0 348.918 3.899 50 0 EHAARO c1ccc2c(c1)CCSC[C@@H]2[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000252496735 1121421288 /nfs/dbraw/zinc/42/12/88/1121421288.db2.gz PQLGTXVMUYZZAX-IBGZPJMESA-N 1 0 341.476 3.852 50 0 EHAARO C[N@H+](Cc1cccs1)[C@@H]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000011868332 1129088889 /nfs/dbraw/zinc/08/88/89/1129088889.db2.gz BDDOSBHMRQLNJJ-MRXNPFEDSA-N 1 0 346.471 3.900 50 0 EHAARO C[C@H]1CC[C@@H](c2nc(-c3c[nH]c4ccccc34)nn2-c2cccnc2)[NH2+]1 ZINC000825071746 1131244817 /nfs/dbraw/zinc/24/48/17/1131244817.db2.gz NUUZEOZCKFTVQK-UGSOOPFHSA-N 1 0 344.422 3.624 50 0 EHAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@@H+](C1CCCC1)C2 ZINC000012750443 1129458314 /nfs/dbraw/zinc/45/83/14/1129458314.db2.gz BKGWYJLCZKKDNU-FQEVSTJZSA-N 1 0 330.447 3.583 50 0 EHAARO CC(C)n1cnnc1[C@H](C)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000822280929 1130979444 /nfs/dbraw/zinc/97/94/44/1130979444.db2.gz MBGIMOIBDJBRBR-AWEZNQCLSA-N 1 0 347.894 3.832 50 0 EHAARO C[N@H+](Cc1cccc2c3ccccc3oc21)C1CCS(=O)(=O)CC1 ZINC000823668494 1131078063 /nfs/dbraw/zinc/07/80/63/1131078063.db2.gz ZJECOIARVXADFW-UHFFFAOYSA-N 1 0 343.448 3.595 50 0 EHAARO C[C@@H](c1cccc(CN(C)Cc2noc(C3CCC3)n2)c1)[NH+](C)C ZINC000823719849 1131079968 /nfs/dbraw/zinc/07/99/68/1131079968.db2.gz PUYKLKIVZATVQS-AWEZNQCLSA-N 1 0 328.460 3.592 50 0 EHAARO Cc1ccc(C[N@@H+]2CC[C@@H](n3c(C)cnc3C3CCOCC3)C2)s1 ZINC000575548813 1131572452 /nfs/dbraw/zinc/57/24/52/1131572452.db2.gz JSBVSEFSENOWHM-QGZVFWFLSA-N 1 0 345.512 3.902 50 0 EHAARO Cc1ccc(CNC(=O)N2CCCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000581788157 1132356224 /nfs/dbraw/zinc/35/62/24/1132356224.db2.gz VVALMNZSAWWYBY-LJQANCHMSA-N 1 0 329.488 3.545 50 0 EHAARO Cc1c[nH+]c(C)n1CCC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000581814139 1132376607 /nfs/dbraw/zinc/37/66/07/1132376607.db2.gz VSHIOPFLJRUITE-UHFFFAOYSA-N 1 0 339.483 3.761 50 0 EHAARO COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@@H](C)c2ccc(F)cc2F)cn1 ZINC000585090426 1136994669 /nfs/dbraw/zinc/99/46/69/1136994669.db2.gz MQSJOTLTZLKYTP-SDDDUWNISA-N 1 0 334.366 3.549 50 0 EHAARO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2oc3ccccc3c2Cl)C1 ZINC000585118296 1137009096 /nfs/dbraw/zinc/00/90/96/1137009096.db2.gz JFDJUQWAOVSUJE-RYUDHWBXSA-N 1 0 341.860 3.532 50 0 EHAARO Cc1[nH]c2ccccc2c1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000585129952 1137019502 /nfs/dbraw/zinc/01/95/02/1137019502.db2.gz CSRUBZHXYWIEJT-QGZVFWFLSA-N 1 0 348.450 3.722 50 0 EHAARO Cc1ncc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)c(C(C)C)n1 ZINC000585133661 1137021688 /nfs/dbraw/zinc/02/16/88/1137021688.db2.gz PSWKVUJYZNIMTD-UHFFFAOYSA-N 1 0 337.427 3.687 50 0 EHAARO CC[C@@H]([NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3)c1cccs1 ZINC000952870225 1137482957 /nfs/dbraw/zinc/48/29/57/1137482957.db2.gz YJAONPFOVGIQJG-CYBMUJFWSA-N 1 0 342.420 3.972 50 0 EHAARO CN(CC[N@H+](C)C1CCCC1)C(=O)[C@]1(c2cccs2)CC1(C)C ZINC000952966326 1137483944 /nfs/dbraw/zinc/48/39/44/1137483944.db2.gz GYEPCMROFFRYEC-LJQANCHMSA-N 1 0 334.529 3.749 50 0 EHAARO COc1ccc(OC)c(-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000952972589 1137484131 /nfs/dbraw/zinc/48/41/31/1137484131.db2.gz DLJAKGLHPBMVTK-UHFFFAOYSA-N 1 0 327.424 3.845 50 0 EHAARO CCc1nc(CNCc2cc3cc(C)cc(C)c3[nH]c2=O)cs1 ZINC000952973757 1137484456 /nfs/dbraw/zinc/48/44/56/1137484456.db2.gz HSTPPXOXZDTOHR-UHFFFAOYSA-N 1 0 327.453 3.866 50 0 EHAARO Cc1cc(NCCCn2ccnc2C(C)C)nc(N2CCCCC2)[nH+]1 ZINC000952980456 1137484696 /nfs/dbraw/zinc/48/46/96/1137484696.db2.gz KYPQGOJMHVLJQR-UHFFFAOYSA-N 1 0 342.491 3.597 50 0 EHAARO c1ccc(C[NH+]2CCC(N3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000952989169 1137485854 /nfs/dbraw/zinc/48/58/54/1137485854.db2.gz CARITMOQLYPWDD-QFIPXVFZSA-N 1 0 336.479 3.725 50 0 EHAARO O=C(/C=C/c1cccc(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003306870 1138088645 /nfs/dbraw/zinc/08/86/45/1138088645.db2.gz SFGZQHGBDCOFQY-MDZDMXLPSA-N 1 0 338.426 3.620 50 0 EHAARO FC(F)(F)c1ccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000107299279 1139716871 /nfs/dbraw/zinc/71/68/71/1139716871.db2.gz ALLJBJJUZFWECF-ZDUSSCGKSA-N 1 0 339.361 3.687 50 0 EHAARO c1ccc(OCCOc2ccc(C[NH2+]Cc3cccnc3)cc2)cc1 ZINC000019737635 202018310 /nfs/dbraw/zinc/01/83/10/202018310.db2.gz BIYNHSJVANGJBQ-UHFFFAOYSA-N 1 0 334.419 3.829 50 0 EHAARO CC(C)c1cc(=O)[nH]c(-c2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000019798872 202021226 /nfs/dbraw/zinc/02/12/26/202021226.db2.gz ZYLZJBFDGQZYMK-UHFFFAOYSA-N 1 0 325.456 3.936 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC)c1)[NH2+]CC2 ZINC000020506916 202045928 /nfs/dbraw/zinc/04/59/28/202045928.db2.gz CHUWWBRRNLFZDT-HXUWFJFHSA-N 1 0 327.424 3.728 50 0 EHAARO OCC[C@H]1CN(Cc2cc3ccccc3s2)CC[N@@H+]1C1CCCC1 ZINC000020782769 202054848 /nfs/dbraw/zinc/05/48/48/202054848.db2.gz XKRMECMFVSVQKP-SFHVURJKSA-N 1 0 344.524 3.713 50 0 EHAARO Cn1cc(-c2cccc(-c3ccn(CCC[NH+]4CCCCC4)n3)c2)cn1 ZINC000023431291 202104340 /nfs/dbraw/zinc/10/43/40/202104340.db2.gz SUNBUGKPULXMGX-UHFFFAOYSA-N 1 0 349.482 3.827 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cc(F)c(F)cc1Cl)c1cccs1 ZINC000025784435 202136324 /nfs/dbraw/zinc/13/63/24/202136324.db2.gz IZTWRQOMMLBUFT-CYBMUJFWSA-N 1 0 344.814 3.712 50 0 EHAARO COc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027580390 202158094 /nfs/dbraw/zinc/15/80/94/202158094.db2.gz JXDPJXVWNXDCPX-KRWDZBQOSA-N 1 0 344.480 3.714 50 0 EHAARO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCc2ccccc21 ZINC000029483030 202188119 /nfs/dbraw/zinc/18/81/19/202188119.db2.gz UZJZUKCVNLPVGK-HNNXBMFYSA-N 1 0 334.341 3.662 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1C)c1ccsc1 ZINC000031194387 202204184 /nfs/dbraw/zinc/20/41/84/202204184.db2.gz BYCJKURAWCMXSH-SFHVURJKSA-N 1 0 345.512 3.939 50 0 EHAARO CCCO[C@@H]1CCC[N@@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000032541606 202226106 /nfs/dbraw/zinc/22/61/06/202226106.db2.gz SCSJYCAIJHKQFO-QGZVFWFLSA-N 1 0 338.442 3.825 50 0 EHAARO O=c1c2ccccc2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032577715 202227490 /nfs/dbraw/zinc/22/74/90/202227490.db2.gz WPJSUSAEMWUDBL-QGZVFWFLSA-N 1 0 325.456 3.584 50 0 EHAARO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]([NH3+])C1 ZINC000032629353 202229076 /nfs/dbraw/zinc/22/90/76/202229076.db2.gz RTJJYHPRGIOAQC-KBPBESRZSA-N 1 0 344.377 3.757 50 0 EHAARO CCC[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032795138 202234102 /nfs/dbraw/zinc/23/41/02/202234102.db2.gz UQEDEWDDEKNIJV-AWEZNQCLSA-N 1 0 337.895 3.792 50 0 EHAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034682927 202275602 /nfs/dbraw/zinc/27/56/02/202275602.db2.gz NYTSMQILOSSBKT-UHFFFAOYSA-N 1 0 337.467 3.798 50 0 EHAARO c1cnn(C[C@@H]2CCC[N@H+]2Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000070039579 202302183 /nfs/dbraw/zinc/30/21/83/202302183.db2.gz DAMNKDPSAKOIIB-FQEVSTJZSA-N 1 0 348.450 3.522 50 0 EHAARO COc1cccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2)c1 ZINC000036100073 202314131 /nfs/dbraw/zinc/31/41/31/202314131.db2.gz FJJUEBHXPWYQSB-IBGZPJMESA-N 1 0 343.467 3.593 50 0 EHAARO Cc1ccc(-c2cc(C(F)(F)F)nc(NCCC[NH+](C)C)n2)cc1 ZINC000036613366 202326575 /nfs/dbraw/zinc/32/65/75/202326575.db2.gz RXTWNVWMRSFHOV-UHFFFAOYSA-N 1 0 338.377 3.834 50 0 EHAARO Cc1csc([C@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)n1 ZINC000072300336 202363955 /nfs/dbraw/zinc/36/39/55/202363955.db2.gz DAYPNVPOOQJQLQ-KRWDZBQOSA-N 1 0 343.496 3.533 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000078403392 202390589 /nfs/dbraw/zinc/39/05/89/202390589.db2.gz ZWFXEQDBRBJRSB-HZPDHXFCSA-N 1 0 339.439 3.528 50 0 EHAARO CC[NH+](CC)CCOc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000040146495 202426971 /nfs/dbraw/zinc/42/69/71/202426971.db2.gz PUHVOMKKVOMGRN-UHFFFAOYSA-N 1 0 338.451 3.610 50 0 EHAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200746 201382510 /nfs/dbraw/zinc/38/25/10/201382510.db2.gz SPITUWXIYADPOV-HNNXBMFYSA-N 1 0 338.411 3.572 50 0 EHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)CSc1nc2ccccc2o1 ZINC000058430748 202768180 /nfs/dbraw/zinc/76/81/80/202768180.db2.gz LIHNQPHPKDSZTJ-CQSZACIVSA-N 1 0 349.500 3.547 50 0 EHAARO c1ccc(C2=CC[N@H+](Cc3cnc(-c4ccccn4)nc3)CC2)cc1 ZINC000215208026 241112465 /nfs/dbraw/zinc/11/24/65/241112465.db2.gz UKESVGRJDATLSF-UHFFFAOYSA-N 1 0 328.419 3.828 50 0 EHAARO Nc1nccc(C2CC[NH+](Cc3ccc(-c4ccco4)cc3)CC2)n1 ZINC000216091031 241163366 /nfs/dbraw/zinc/16/33/66/241163366.db2.gz UWYDBJMZMIGJNU-UHFFFAOYSA-N 1 0 334.423 3.698 50 0 EHAARO COc1ccc(C[N@H+](C)[C@@H](C)c2cccs2)cc1Cn1cncn1 ZINC000219286555 241375404 /nfs/dbraw/zinc/37/54/04/241375404.db2.gz OFTZEUXVNGXTOT-AWEZNQCLSA-N 1 0 342.468 3.590 50 0 EHAARO COc1cccc(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000002638438 201539028 /nfs/dbraw/zinc/53/90/28/201539028.db2.gz HBGVOIJKRNBZET-UHFFFAOYSA-N 1 0 344.499 3.543 50 0 EHAARO C[C@@H](O)C[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000002881690 201550633 /nfs/dbraw/zinc/55/06/33/201550633.db2.gz CDPJFWMMHCZUGY-QGZVFWFLSA-N 1 0 327.468 3.752 50 0 EHAARO O=C(CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1)Nc1nccs1 ZINC000244574872 243041759 /nfs/dbraw/zinc/04/17/59/243041759.db2.gz CSTHVAJFPFODTD-CYBMUJFWSA-N 1 0 335.860 3.615 50 0 EHAARO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000089661847 202803898 /nfs/dbraw/zinc/80/38/98/202803898.db2.gz UKVSFCRLWDQYQH-UHFFFAOYSA-N 1 0 345.270 3.950 50 0 EHAARO CCc1oc2ccccc2c1C[NH2+]Cc1ccc(C(=O)N(C)C)cc1 ZINC000069483916 203005414 /nfs/dbraw/zinc/00/54/14/203005414.db2.gz QAYJGXINEDJPIN-UHFFFAOYSA-N 1 0 336.435 3.987 50 0 EHAARO COc1cccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c1 ZINC000069570062 203020931 /nfs/dbraw/zinc/02/09/31/203020931.db2.gz PRYQETRBLUAITL-UHFFFAOYSA-N 1 0 340.467 3.512 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccccn1 ZINC000069486966 203007546 /nfs/dbraw/zinc/00/75/46/203007546.db2.gz UYNICMVNRLBHPN-PZJWPPBQSA-N 1 0 349.478 3.657 50 0 EHAARO Fc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000069516359 203011650 /nfs/dbraw/zinc/01/16/50/203011650.db2.gz CXQICBHNPLMGOY-OAHLLOKOSA-N 1 0 338.386 3.650 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H](C)c3cc4ccccc4o3)nc12 ZINC000069529105 203013941 /nfs/dbraw/zinc/01/39/41/203013941.db2.gz DWSRVJNVISBAFC-HNNXBMFYSA-N 1 0 347.418 3.942 50 0 EHAARO COc1ccc([C@H]([NH2+]C2CCOCC2)c2ccccc2OC)cc1 ZINC000090772233 203017789 /nfs/dbraw/zinc/01/77/89/203017789.db2.gz DPOQNDOMXYFHSF-FQEVSTJZSA-N 1 0 327.424 3.562 50 0 EHAARO CC(C)c1ocnc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000069704297 203039541 /nfs/dbraw/zinc/03/95/41/203039541.db2.gz LSLJFDGXCJFRSU-UHFFFAOYSA-N 1 0 333.476 3.526 50 0 EHAARO C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000069737742 203041679 /nfs/dbraw/zinc/04/16/79/203041679.db2.gz QCTSNVFIFNSAPH-RYUDHWBXSA-N 1 0 344.286 3.648 50 0 EHAARO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1cccnc1)Nc1ccccc1 ZINC000069740684 203045144 /nfs/dbraw/zinc/04/51/44/203045144.db2.gz CDWVGOWZCOZASU-HXUWFJFHSA-N 1 0 349.482 3.708 50 0 EHAARO CC(C)=CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)c(F)c2C)C1 ZINC000071315706 203091553 /nfs/dbraw/zinc/09/15/53/203091553.db2.gz LNIFZOVNFQNCNZ-KRWDZBQOSA-N 1 0 332.463 3.737 50 0 EHAARO COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)NC2CCCCC2)c1 ZINC000071793239 203112983 /nfs/dbraw/zinc/11/29/83/203112983.db2.gz LSBIIZBTLZNOQQ-LJQANCHMSA-N 1 0 330.472 3.671 50 0 EHAARO Cc1ccc(C(N)=O)cc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071745808 203105721 /nfs/dbraw/zinc/10/57/21/203105721.db2.gz JTRJNQVZQWOTQA-GOSISDBHSA-N 1 0 338.451 3.541 50 0 EHAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000071825176 203120363 /nfs/dbraw/zinc/12/03/63/203120363.db2.gz VOCSAZONSASIIT-SNVBAGLBSA-N 1 0 342.270 3.650 50 0 EHAARO Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)c(C[NH+](C)C)c1 ZINC000071905243 203145541 /nfs/dbraw/zinc/14/55/41/203145541.db2.gz XMWOPJLKZZXGEM-UHFFFAOYSA-N 1 0 346.434 3.766 50 0 EHAARO CC(C)C[N@H+](C[C@H](O)c1ccccc1)[C@@H](C)c1nc(C2CC2)no1 ZINC000071912079 203148382 /nfs/dbraw/zinc/14/83/82/203148382.db2.gz MZKVMPOGWXOPGN-YOEHRIQHSA-N 1 0 329.444 3.700 50 0 EHAARO Cn1c(CN(Cc2cccnc2)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000072133556 203166046 /nfs/dbraw/zinc/16/60/46/203166046.db2.gz VBJLPJORHBGBGT-UHFFFAOYSA-N 1 0 348.494 3.670 50 0 EHAARO Cc1cc(N2CCCN(Cc3c(F)cccc3Cl)CC2)cc[nH+]1 ZINC000072131887 203166465 /nfs/dbraw/zinc/16/64/65/203166465.db2.gz IWTPKAHNUWWYPQ-UHFFFAOYSA-N 1 0 333.838 3.895 50 0 EHAARO Cc1c(CNC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)oc2ccccc12 ZINC000072140488 203168588 /nfs/dbraw/zinc/16/85/88/203168588.db2.gz RERRMBBJVCSZQM-OAHLLOKOSA-N 1 0 334.419 3.748 50 0 EHAARO O=C(N1CCC[C@H]([NH+]2CCCC2)C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000072144159 203170119 /nfs/dbraw/zinc/17/01/19/203170119.db2.gz DYTPHYNXKPLEDO-SFHVURJKSA-N 1 0 346.902 3.849 50 0 EHAARO Cn1ccc2cc(CN(Cc3cccnc3)C3CC[NH+](C)CC3)ccc21 ZINC000072150144 203173365 /nfs/dbraw/zinc/17/33/65/203173365.db2.gz JXHQZXNVUZSZBH-UHFFFAOYSA-N 1 0 348.494 3.670 50 0 EHAARO c1cc2c(nc(NC3CC[NH2+]CC3)cc2-c2ccc3ccccc3n2)[nH]1 ZINC000072162311 203177724 /nfs/dbraw/zinc/17/77/24/203177724.db2.gz UPWHYFLVFWWEFD-UHFFFAOYSA-N 1 0 343.434 3.942 50 0 EHAARO CSc1ccc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)cc1 ZINC000072162691 203177990 /nfs/dbraw/zinc/17/79/90/203177990.db2.gz UIQWCJLSCFPRKU-GOSISDBHSA-N 1 0 328.481 3.985 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)[C@H](C)c2ccccn2)c(F)c1 ZINC000072426056 203221395 /nfs/dbraw/zinc/22/13/95/203221395.db2.gz CHUHAOYKVGVOAU-CYBMUJFWSA-N 1 0 340.402 3.812 50 0 EHAARO COc1ccc(F)c(F)c1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077286259 203377276 /nfs/dbraw/zinc/37/72/76/203377276.db2.gz XPJQACOSLPTYSJ-HNNXBMFYSA-N 1 0 338.442 3.814 50 0 EHAARO Cc1cccc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000077357943 203383770 /nfs/dbraw/zinc/38/37/70/203383770.db2.gz PKBDGHDDKUXIPD-HXUWFJFHSA-N 1 0 337.467 3.819 50 0 EHAARO CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH2+]CC1 ZINC000077010837 203370010 /nfs/dbraw/zinc/37/00/10/203370010.db2.gz LOWFDFAQLWHADM-UHFFFAOYSA-N 1 0 336.479 3.791 50 0 EHAARO c1csc(C[N@@H+]2CCCN(c3noc(-c4ccccc4)n3)CC2)c1 ZINC000077407685 203387572 /nfs/dbraw/zinc/38/75/72/203387572.db2.gz UEMHZHHCMGRBHH-UHFFFAOYSA-N 1 0 340.452 3.510 50 0 EHAARO CCSCCC(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077458731 203389070 /nfs/dbraw/zinc/38/90/70/203389070.db2.gz PRKHEFIIOPHTEQ-GOSISDBHSA-N 1 0 334.529 3.945 50 0 EHAARO C/C=C(\C)C[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091848019 203655386 /nfs/dbraw/zinc/65/53/86/203655386.db2.gz PWSHUSUMLLQCCA-JFQJCAQQSA-N 1 0 326.484 3.857 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]CCc2sc(C)nc2C)cc1NC(C)=O ZINC000095967836 203779115 /nfs/dbraw/zinc/77/91/15/203779115.db2.gz FDFHDKWQYUGZJI-LLVKDONJSA-N 1 0 347.484 3.620 50 0 EHAARO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000044973384 204311462 /nfs/dbraw/zinc/31/14/62/204311462.db2.gz BANDFVOPDKPZAX-UHFFFAOYSA-N 1 0 345.487 3.865 50 0 EHAARO Cc1ccoc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048354724 204347457 /nfs/dbraw/zinc/34/74/57/204347457.db2.gz DMXVJSRNTNSUGZ-HZPDHXFCSA-N 1 0 340.467 3.996 50 0 EHAARO O=C(Nc1ccc2ncsc2c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000155665374 206024949 /nfs/dbraw/zinc/02/49/49/206024949.db2.gz AMFYHKISKLVGPT-AWEZNQCLSA-N 1 0 344.484 3.636 50 0 EHAARO CCn1ccc2ccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)cc21 ZINC000156034226 206050314 /nfs/dbraw/zinc/05/03/14/206050314.db2.gz WJMGZIGBYDJZBW-UHFFFAOYSA-N 1 0 338.455 3.529 50 0 EHAARO C[C@H](c1ccco1)n1cc(-c2cc(C[NH+]3CCCC3)cs2)nn1 ZINC000091872633 218082005 /nfs/dbraw/zinc/08/20/05/218082005.db2.gz MWBAHXQQCGKHBE-CYBMUJFWSA-N 1 0 328.441 3.805 50 0 EHAARO O[C@H](COc1ccc2ccccc2c1)C[N@@H+]1CCc2ccccc2C1 ZINC000013023304 207270307 /nfs/dbraw/zinc/27/03/07/207270307.db2.gz JKDXRYRJBCGFIQ-NRFANRHFSA-N 1 0 333.431 3.638 50 0 EHAARO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(OCc2nccn2C)cc1 ZINC000096479279 218855588 /nfs/dbraw/zinc/85/55/88/218855588.db2.gz RCFQAZVHWTWOSF-PBHICJAKSA-N 1 0 331.485 3.545 50 0 EHAARO COc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)cc(Cl)c1OC ZINC000097532383 219034289 /nfs/dbraw/zinc/03/42/89/219034289.db2.gz SDBBYAWEVKWHED-UHFFFAOYSA-N 1 0 339.863 3.750 50 0 EHAARO [NH3+]CC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3F)cc2)CC1 ZINC000426410419 257969703 /nfs/dbraw/zinc/96/97/03/257969703.db2.gz CYGJPDOEMITFIN-UHFFFAOYSA-N 1 0 346.833 3.957 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000283264113 257938219 /nfs/dbraw/zinc/93/82/19/257938219.db2.gz WFKCVEKZNHNASV-GJZGRUSLSA-N 1 0 344.405 3.778 50 0 EHAARO C[N@H+](Cc1cccc2[nH]ccc21)C1CCN(CCc2ccccn2)CC1 ZINC000092645376 258013776 /nfs/dbraw/zinc/01/37/76/258013776.db2.gz SFYCHDGDIIGMSP-UHFFFAOYSA-N 1 0 348.494 3.702 50 0 EHAARO O=C(NC[C@H]1CC[N@@H+](C2CCCCC2)C1)Nc1cccnc1Cl ZINC000299792745 258098275 /nfs/dbraw/zinc/09/82/75/258098275.db2.gz FQBFGSGZAHXAIE-CYBMUJFWSA-N 1 0 336.867 3.511 50 0 EHAARO CC[N@@H+]1CCC[C@]2(CCCN(C(=O)c3ccc(C)n3C(F)F)C2)C1 ZINC000299757577 258075243 /nfs/dbraw/zinc/07/52/43/258075243.db2.gz KFLZKXJJGVIDCL-SFHVURJKSA-N 1 0 339.430 3.530 50 0 EHAARO [NH3+][C@H]1CCN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)C1 ZINC000299763328 258079981 /nfs/dbraw/zinc/07/99/81/258079981.db2.gz ZEJMULSSFYOTQD-AWEZNQCLSA-N 1 0 334.341 3.546 50 0 EHAARO CC[NH+]1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035848778 132391277 /nfs/dbraw/zinc/39/12/77/132391277.db2.gz YSVXQPPVCHHQHE-UHFFFAOYSA-N 1 0 342.512 3.589 50 0 EHAARO CC(C)C[C@H](C)[NH2+]C1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000063845092 132806243 /nfs/dbraw/zinc/80/62/43/132806243.db2.gz HXMKGJFVTDAHKT-KRWDZBQOSA-N 1 0 326.488 3.865 50 0 EHAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000020600041 135721755 /nfs/dbraw/zinc/72/17/55/135721755.db2.gz UUQMHHCHHWVABQ-LJQANCHMSA-N 1 0 345.506 3.745 50 0 EHAARO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2)c1 ZINC000036100376 524381139 /nfs/dbraw/zinc/38/11/39/524381139.db2.gz YDRPBKQNZZSHJO-HXUWFJFHSA-N 1 0 327.468 3.893 50 0 EHAARO C[C@H](NC(=S)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000242047982 525275320 /nfs/dbraw/zinc/27/53/20/525275320.db2.gz VRTMGQLBDBUGCZ-ZMMAXQRCSA-N 1 0 345.556 3.959 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000215308830 535560317 /nfs/dbraw/zinc/56/03/17/535560317.db2.gz FQZAYLLIESGHNE-CQSZACIVSA-N 1 0 334.847 3.538 50 0 EHAARO CCc1cccc(C)c1NC(=O)CC[N@H+](C)CC[C@H]1CCCCO1 ZINC000244884036 535861054 /nfs/dbraw/zinc/86/10/54/535861054.db2.gz YDYOSWMUXLSKKZ-GOSISDBHSA-N 1 0 332.488 3.777 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]Cc2ccccc2)CCCC1 ZINC000000571521 563350069 /nfs/dbraw/zinc/35/00/69/563350069.db2.gz MQJVMBQJHBLUAH-IBGZPJMESA-N 1 0 348.490 3.979 50 0 EHAARO O=C(NCC[NH2+]C1CCC(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000002851829 563455684 /nfs/dbraw/zinc/45/56/84/563455684.db2.gz GJVRZACSKIGGPY-UHFFFAOYSA-N 1 0 340.442 3.872 50 0 EHAARO C[C@H](C[NH+]1CCCCC1)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000004550660 563505014 /nfs/dbraw/zinc/50/50/14/563505014.db2.gz VNHPFMCKVFIJRI-MRXNPFEDSA-N 1 0 333.472 3.781 50 0 EHAARO Fc1ccc(COC(CN2CCCCC2)C[NH+]2CCCCC2)cc1 ZINC000004828680 563512328 /nfs/dbraw/zinc/51/23/28/563512328.db2.gz GASSHFRTJIGWGH-UHFFFAOYSA-N 1 0 334.479 3.683 50 0 EHAARO CCOc1ccc([C@]2(C)N(O)[C@H](CC)C(c3ccccc3)[N+]2=O)cc1 ZINC000004872677 563514579 /nfs/dbraw/zinc/51/45/79/563514579.db2.gz ZDBDMQMQRXWMFY-UYAOXDASSA-N 1 0 340.423 3.741 50 0 EHAARO NC(=O)C1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000004989058 563517867 /nfs/dbraw/zinc/51/78/67/563517867.db2.gz XBNUNWKAPAUJNR-UHFFFAOYSA-N 1 0 344.842 3.830 50 0 EHAARO CCC[NH+]1CCC(NC(=S)Nc2cc(Cl)ccc2OC)CC1 ZINC000005041684 563519826 /nfs/dbraw/zinc/51/98/26/563519826.db2.gz NKTJDALMPWMTHT-UHFFFAOYSA-N 1 0 341.908 3.509 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1)c1ccccc1 ZINC000008534259 563631468 /nfs/dbraw/zinc/63/14/68/563631468.db2.gz KSGJBPSKDOKAHP-INIZCTEOSA-N 1 0 340.467 3.831 50 0 EHAARO Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000008701215 563635745 /nfs/dbraw/zinc/63/57/45/563635745.db2.gz IMFBMVDMGQPRRE-UHFFFAOYSA-N 1 0 335.373 3.610 50 0 EHAARO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000011819573 563651266 /nfs/dbraw/zinc/65/12/66/563651266.db2.gz JTURJHJNPZBHPM-MRXNPFEDSA-N 1 0 344.459 3.920 50 0 EHAARO Oc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000011843521 563651440 /nfs/dbraw/zinc/65/14/40/563651440.db2.gz BHAIZLZHMWXNKM-MRXNPFEDSA-N 1 0 327.428 3.640 50 0 EHAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](CCO)C(C)C ZINC000012005406 563652317 /nfs/dbraw/zinc/65/23/17/563652317.db2.gz JPVNPPABNHUHJJ-UHFFFAOYSA-N 1 0 342.361 3.872 50 0 EHAARO CN(C(=O)C1CCCC1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011951705 563652418 /nfs/dbraw/zinc/65/24/18/563652418.db2.gz KQSYXSBSVLWTNH-FQEVSTJZSA-N 1 0 328.500 3.732 50 0 EHAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012025870 563652677 /nfs/dbraw/zinc/65/26/77/563652677.db2.gz KXUFGOBGMCJJBH-KRWDZBQOSA-N 1 0 343.496 3.590 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)o1 ZINC000015860220 563796497 /nfs/dbraw/zinc/79/64/97/563796497.db2.gz QKZAQFUMKBDNIA-INIZCTEOSA-N 1 0 332.831 3.808 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)N1CCCc2ccccc21)c1cccs1 ZINC000043127350 563846758 /nfs/dbraw/zinc/84/67/58/563846758.db2.gz SOHHPTBETOPXTL-INIZCTEOSA-N 1 0 329.469 3.513 50 0 EHAARO CSc1ccsc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187243355 563851276 /nfs/dbraw/zinc/85/12/76/563851276.db2.gz SFWQNYDVNRUVPA-IUODEOHRSA-N 1 0 334.510 3.891 50 0 EHAARO c1ccc(N2CCN([C@@H]3CCC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000019743229 563857020 /nfs/dbraw/zinc/85/70/20/563857020.db2.gz YVCBPWXTVRNUHL-OAQYLSRUSA-N 1 0 327.516 3.606 50 0 EHAARO CC(C)=CC[NH+]1CCC(NC(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000072271286 563896704 /nfs/dbraw/zinc/89/67/04/563896704.db2.gz BHAAMYFBNQVBTI-QFIPXVFZSA-N 1 0 340.511 3.827 50 0 EHAARO COc1ccccc1N1CC[NH+]([C@@H](C)CCc2ccc(O)cc2)CC1 ZINC000023283315 563919419 /nfs/dbraw/zinc/91/94/19/563919419.db2.gz VTDNKKOWQRDNNO-KRWDZBQOSA-N 1 0 340.467 3.544 50 0 EHAARO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039744473 563922711 /nfs/dbraw/zinc/92/27/11/563922711.db2.gz NAGCOMLPNUPSNS-UHFFFAOYSA-N 1 0 330.378 3.816 50 0 EHAARO CC/C=C(\C)C[NH+]1CCC(n2cc(CN3CCC(C)(C)C3)nn2)CC1 ZINC000048501668 563930475 /nfs/dbraw/zinc/93/04/75/563930475.db2.gz SEAGIWIHWHBJNM-UBKPWBPPSA-N 1 0 345.535 3.503 50 0 EHAARO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000055413558 563934767 /nfs/dbraw/zinc/93/47/67/563934767.db2.gz RFHLWIUMAJJWIW-CQSZACIVSA-N 1 0 331.441 3.504 50 0 EHAARO c1csc(COc2ccc(C[NH2+]CCOc3ccccn3)cc2)c1 ZINC000057356051 563935582 /nfs/dbraw/zinc/93/55/82/563935582.db2.gz HKRLYXJIBXEMRG-UHFFFAOYSA-N 1 0 340.448 3.891 50 0 EHAARO CCC[C@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC000095428426 563935828 /nfs/dbraw/zinc/93/58/28/563935828.db2.gz YSJOJZBFRNOPSG-CQSZACIVSA-N 1 0 328.403 3.748 50 0 EHAARO O=c1cc(C[NH+]2CCC(CCc3ccccc3)CC2)nc2ccccn12 ZINC000011155695 563936390 /nfs/dbraw/zinc/93/63/90/563936390.db2.gz RPQMYOKKYXAMNZ-UHFFFAOYSA-N 1 0 347.462 3.539 50 0 EHAARO C[C@H]1CCCC[C@H]1[NH2+]CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000058084707 563937337 /nfs/dbraw/zinc/93/73/37/563937337.db2.gz JFLMQKHRQMZKGV-GXTWGEPZSA-N 1 0 345.512 3.574 50 0 EHAARO CC(C)([NH2+]CC(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000058328509 563942678 /nfs/dbraw/zinc/94/26/78/563942678.db2.gz SZWCFBGCDMPBNR-UHFFFAOYSA-N 1 0 342.405 3.979 50 0 EHAARO Clc1ccccc1[C@@H](CNC1=[NH+]CCN1)c1c[nH]c2ccccc21 ZINC000058340935 563942899 /nfs/dbraw/zinc/94/28/99/563942899.db2.gz QHDIRBWBYQYCEJ-OAHLLOKOSA-N 1 0 338.842 3.502 50 0 EHAARO Cc1ccc(C[N@@H+]2CCCN(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000058367203 563943854 /nfs/dbraw/zinc/94/38/54/563943854.db2.gz FARMGSSHXJTCRE-UHFFFAOYSA-N 1 0 348.450 3.757 50 0 EHAARO O=C(/C=C/c1cccc(F)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058391742 563944515 /nfs/dbraw/zinc/94/45/15/563944515.db2.gz DFFQEIHNDWMMPB-CMDGGOBGSA-N 1 0 330.447 3.610 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000096482516 563955286 /nfs/dbraw/zinc/95/52/86/563955286.db2.gz BBEOUTHBRKCBRR-UHFFFAOYSA-N 1 0 348.450 3.553 50 0 EHAARO C[NH+]1CCC(Oc2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000065364320 563958237 /nfs/dbraw/zinc/95/82/37/563958237.db2.gz REGYMWSNBDPFAO-UHFFFAOYSA-N 1 0 325.412 3.804 50 0 EHAARO CC[C@H](Cn1ccnc1)[NH2+]Cc1cnc(-c2ccccc2C)s1 ZINC000065370475 563958374 /nfs/dbraw/zinc/95/83/74/563958374.db2.gz OZOXGBNYTJJKPL-OAHLLOKOSA-N 1 0 326.469 3.883 50 0 EHAARO CCCn1nc(C)cc1NC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000065370101 563958387 /nfs/dbraw/zinc/95/83/87/563958387.db2.gz JRCZOOHMGMZUJW-INIZCTEOSA-N 1 0 340.471 3.838 50 0 EHAARO Cc1ccc(C)c(NC(=O)CC[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000065394278 563959550 /nfs/dbraw/zinc/95/95/50/563959550.db2.gz PYHSTPDCYZJJEO-MRXNPFEDSA-N 1 0 338.451 3.745 50 0 EHAARO CCc1ccc2oc(=O)cc(C[NH2+]C[C@@H]3OCCc4ccccc43)c2c1 ZINC000065410493 563960431 /nfs/dbraw/zinc/96/04/31/563960431.db2.gz CXUYMQWSAQLUMW-NRFANRHFSA-N 1 0 349.430 3.759 50 0 EHAARO CCCn1ccnc1C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065526419 563961785 /nfs/dbraw/zinc/96/17/85/563961785.db2.gz VMRDOBFFVWSDBZ-IBGZPJMESA-N 1 0 347.466 3.740 50 0 EHAARO COCC[C@H]1CCCC[N@@H+]1Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067540161 563962332 /nfs/dbraw/zinc/96/23/32/563962332.db2.gz ZUHCISXYUSWUEB-MRXNPFEDSA-N 1 0 334.847 3.573 50 0 EHAARO COc1ccc(-c2ccc(C3(O)CC[NH2+]CC3)cc2)c2ccc(C)nc12 ZINC000067741130 563962661 /nfs/dbraw/zinc/96/26/61/563962661.db2.gz XUTRAHDXKGVFKB-UHFFFAOYSA-N 1 0 348.446 3.790 50 0 EHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCC([NH3+])CC1 ZINC000067772870 563962697 /nfs/dbraw/zinc/96/26/97/563962697.db2.gz YNUZBTPHMZEXAM-UHFFFAOYSA-N 1 0 339.361 3.592 50 0 EHAARO Cc1ccc2[nH]cc(C[NH+]3CCC(N4C[C@@H](C)O[C@@H](C)C4)CC3)c2c1 ZINC000067821195 563962812 /nfs/dbraw/zinc/96/28/12/563962812.db2.gz NBQCKYVBFSGURM-CALCHBBNSA-N 1 0 341.499 3.550 50 0 EHAARO CCOc1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000067872818 563963002 /nfs/dbraw/zinc/96/30/02/563963002.db2.gz AOHNNOLIUTXRKU-UHFFFAOYSA-N 1 0 326.440 3.625 50 0 EHAARO COc1ccc(Oc2ccc(C(C)C)nn2)cc1C[NH+]1CCCC1 ZINC000067909858 563963082 /nfs/dbraw/zinc/96/30/82/563963082.db2.gz KIIRWWFNHFAUIH-UHFFFAOYSA-N 1 0 327.428 3.997 50 0 EHAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(C)o1 ZINC000004679247 563963856 /nfs/dbraw/zinc/96/38/56/563963856.db2.gz RHJDGZCIOVHYCA-UHFFFAOYSA-N 1 0 329.375 3.849 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCCOc2ccc(CC)cc2)CC1 ZINC000006704016 563964492 /nfs/dbraw/zinc/96/44/92/563964492.db2.gz GQWGKORKMYOREM-UHFFFAOYSA-N 1 0 333.472 3.683 50 0 EHAARO c1coc(-c2cccc(NC3CC[NH+](Cc4ccncc4)CC3)c2)n1 ZINC000097046021 563966965 /nfs/dbraw/zinc/96/69/65/563966965.db2.gz MTUUYBRXWXVRHA-UHFFFAOYSA-N 1 0 334.423 3.813 50 0 EHAARO CC(=O)Nc1cc(NC2CC[NH+](CCC(F)(F)F)CC2)ccc1F ZINC000097057257 563967108 /nfs/dbraw/zinc/96/71/08/563967108.db2.gz XMSLUEOMJYPGJR-UHFFFAOYSA-N 1 0 347.356 3.613 50 0 EHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(Cl)cncc1Cl)C2 ZINC000091537096 563975493 /nfs/dbraw/zinc/97/54/93/563975493.db2.gz XSLBUYSVRPWBIU-QWHCGFSZSA-N 1 0 328.287 3.695 50 0 EHAARO CC(=O)c1cc(C[N@@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)cs1 ZINC000091724526 563975730 /nfs/dbraw/zinc/97/57/30/563975730.db2.gz HCZUBFGFLYHGMI-INIZCTEOSA-N 1 0 329.465 3.508 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N2CCCC[C@@H]2c2ccccn2)CC1 ZINC000092001815 563975962 /nfs/dbraw/zinc/97/59/62/563975962.db2.gz SEZFNOLEGJZMRL-LJQANCHMSA-N 1 0 329.488 3.647 50 0 EHAARO Cc1nc2ccccc2n1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000092116491 563976044 /nfs/dbraw/zinc/97/60/44/563976044.db2.gz PETJIICBLDVAPR-INIZCTEOSA-N 1 0 339.782 3.503 50 0 EHAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)ccc1F ZINC000092078158 563976059 /nfs/dbraw/zinc/97/60/59/563976059.db2.gz RMUMRGSVYVTIAX-UHFFFAOYSA-N 1 0 330.447 3.501 50 0 EHAARO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)ccc2[nH]1 ZINC000092062276 563976071 /nfs/dbraw/zinc/97/60/71/563976071.db2.gz UPDWBBCGECELTJ-GHTZIAJQSA-N 1 0 346.478 3.659 50 0 EHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000095369825 563976784 /nfs/dbraw/zinc/97/67/84/563976784.db2.gz FRHXFZCUTXIUKU-AWEZNQCLSA-N 1 0 346.368 3.725 50 0 EHAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000095391058 563976919 /nfs/dbraw/zinc/97/69/19/563976919.db2.gz CDNMXHHAYCVCBN-OAHLLOKOSA-N 1 0 344.430 3.824 50 0 EHAARO Clc1cccc(COc2cccc(-c3nc4c([nH]3)C[NH2+]CC4)c2)c1 ZINC000097394182 563981540 /nfs/dbraw/zinc/98/15/40/563981540.db2.gz DZXZWEAUFBULDV-UHFFFAOYSA-N 1 0 339.826 3.955 50 0 EHAARO C[N@H+](CCc1noc(C2CC2)n1)Cc1ccccc1C(F)(F)F ZINC000097679890 563981779 /nfs/dbraw/zinc/98/17/79/563981779.db2.gz FOWMJIUPWICDRT-UHFFFAOYSA-N 1 0 325.334 3.640 50 0 EHAARO CN(Cc1nccn1C)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000061072138 563992617 /nfs/dbraw/zinc/99/26/17/563992617.db2.gz FOWOWXBDPVVPGN-UHFFFAOYSA-N 1 0 337.448 3.519 50 0 EHAARO O=C(CCc1ccc(Cl)s1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000044314975 563995074 /nfs/dbraw/zinc/99/50/74/563995074.db2.gz MNAAOKZTQMPKNJ-HNNXBMFYSA-N 1 0 348.899 3.725 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccsc1 ZINC000044487043 563995613 /nfs/dbraw/zinc/99/56/13/563995613.db2.gz UFPPUXBPGWKWRY-FPMFFAJLSA-N 1 0 348.434 3.836 50 0 EHAARO CCOC[C@@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426477582 563995763 /nfs/dbraw/zinc/99/57/63/563995763.db2.gz OWEAAPAJRNPGJI-FQEVSTJZSA-N 1 0 344.499 3.704 50 0 EHAARO COc1cccc(Cl)c1CNc1ncnc2c1cnn2C(C)(C)C ZINC000252482368 563997714 /nfs/dbraw/zinc/99/77/14/563997714.db2.gz DDXRMVLEMNKRRU-UHFFFAOYSA-N 1 0 345.834 3.855 50 0 EHAARO COc1ccc(OC[C@@H](O)Cn2c3ccccc3nc2C(C)C)cc1 ZINC000000787278 563998118 /nfs/dbraw/zinc/99/81/18/563998118.db2.gz DWOLAPLQFSKEGK-HNNXBMFYSA-N 1 0 340.423 3.608 50 0 EHAARO CC[NH+]1CCC(N(C(=O)C/C=C/c2cccc(F)c2)C2CC2)CC1 ZINC000096454222 564002155 /nfs/dbraw/zinc/00/21/55/564002155.db2.gz XJPMFXVEWUHUTR-GQCTYLIASA-N 1 0 330.447 3.704 50 0 EHAARO C[C@H]1CCc2c(sc3[nH]c(C[N@H+](C)C4CCCCC4)nc(=O)c23)C1 ZINC000005695597 564019165 /nfs/dbraw/zinc/01/91/65/564019165.db2.gz CXQXXUANQFBUAC-LBPRGKRZSA-N 1 0 345.512 3.874 50 0 EHAARO COc1cccc(NC(=S)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000107344052 564026905 /nfs/dbraw/zinc/02/69/05/564026905.db2.gz VUNGYBRELNFPSO-ZOBUZTSGSA-N 1 0 347.528 3.729 50 0 EHAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485559 564028299 /nfs/dbraw/zinc/02/82/99/564028299.db2.gz GQEVWHPZQRHIRL-BHIYHBOVSA-N 1 0 349.478 3.538 50 0 EHAARO CCOc1ccccc1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000048263714 564030336 /nfs/dbraw/zinc/03/03/36/564030336.db2.gz BIMOOONQUALBFX-UHFFFAOYSA-N 1 0 332.488 3.861 50 0 EHAARO Cc1nc2ccccc2n1CC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000049734430 564032883 /nfs/dbraw/zinc/03/28/83/564032883.db2.gz LPZNLECSAOVVHM-UHFFFAOYSA-N 1 0 348.450 3.579 50 0 EHAARO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000012332116 564034151 /nfs/dbraw/zinc/03/41/51/564034151.db2.gz QEROHKAAGUMTKZ-UHFFFAOYSA-N 1 0 336.357 3.697 50 0 EHAARO CC[C@H](Cn1ccnc1)NC(=O)C1c2ccccc2-c2ccccc21 ZINC000223751993 564040761 /nfs/dbraw/zinc/04/07/61/564040761.db2.gz YYSUFDHMORHXIW-OAHLLOKOSA-N 1 0 331.419 3.590 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2cc[nH]c2c1 ZINC000063080193 564056072 /nfs/dbraw/zinc/05/60/72/564056072.db2.gz WOGQWCARHAXAMQ-UHFFFAOYSA-N 1 0 347.462 3.810 50 0 EHAARO c1c(C[NH2+]Cc2cccnc2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000012533528 564058326 /nfs/dbraw/zinc/05/83/26/564058326.db2.gz FLEXMXYWUKQHGK-UHFFFAOYSA-N 1 0 341.418 3.619 50 0 EHAARO C[NH+](C)[C@H](CNc1ncnc2sc3c(c21)CCC3)c1ccccc1 ZINC000003319332 564059198 /nfs/dbraw/zinc/05/91/98/564059198.db2.gz DHSGXKTVYPBQAS-OAHLLOKOSA-N 1 0 338.480 3.895 50 0 EHAARO CC(C)[NH2+]C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003864457 564060299 /nfs/dbraw/zinc/06/02/99/564060299.db2.gz AVLMICYHKNEDLK-MYZSEDEFSA-N 1 0 343.511 3.892 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000035052970 564060625 /nfs/dbraw/zinc/06/06/25/564060625.db2.gz SDCHXRFZDLZQFR-MJGOQNOKSA-N 1 0 325.452 3.968 50 0 EHAARO C[C@@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000078410163 564061947 /nfs/dbraw/zinc/06/19/47/564061947.db2.gz MZFZEDVZBFLWHH-OAHLLOKOSA-N 1 0 347.418 3.756 50 0 EHAARO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000012677689 564062594 /nfs/dbraw/zinc/06/25/94/564062594.db2.gz ZVTMLENBTMQCPD-JLTOFOAXSA-N 1 0 336.435 3.957 50 0 EHAARO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000012747845 564065952 /nfs/dbraw/zinc/06/59/52/564065952.db2.gz DAHDXNLRCSAEQD-ZDUSSCGKSA-N 1 0 334.510 3.607 50 0 EHAARO O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000084514503 564068418 /nfs/dbraw/zinc/06/84/18/564068418.db2.gz AJRMMHNVNDSNII-OAHLLOKOSA-N 1 0 342.414 3.786 50 0 EHAARO c1cnn(-c2ccccc2C[NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000084665067 564069502 /nfs/dbraw/zinc/06/95/02/564069502.db2.gz VQMFBPZSASFLCE-PZJWPPBQSA-N 1 0 333.435 3.740 50 0 EHAARO Cc1csc2nc(C[N@@H+]3CCC[C@H]3C3CCCCC3)cc(=O)n12 ZINC000053211357 564073380 /nfs/dbraw/zinc/07/33/80/564073380.db2.gz NTPDBQQHDPKQES-INIZCTEOSA-N 1 0 331.485 3.609 50 0 EHAARO FC(F)(F)c1cccc(C2(C[NH2+]Cc3cc[nH]c3)CCOCC2)c1 ZINC000086251673 564075462 /nfs/dbraw/zinc/07/54/62/564075462.db2.gz XGCLTZSBIAQTDT-UHFFFAOYSA-N 1 0 338.373 3.872 50 0 EHAARO c1coc(-c2nnc(C3CC[NH+](Cc4cccnc4)CC3)s2)c1 ZINC000075165427 564081000 /nfs/dbraw/zinc/08/10/00/564081000.db2.gz VWCIMMWIFNXOTK-UHFFFAOYSA-N 1 0 326.425 3.573 50 0 EHAARO CCC[N@@H+]1CC[C@H](CNC(=O)C2(c3cc(C)cc(C)c3)CCC2)C1 ZINC000053408868 564081658 /nfs/dbraw/zinc/08/16/58/564081658.db2.gz GLAGPJGXYVGUII-GOSISDBHSA-N 1 0 328.500 3.573 50 0 EHAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000090608922 564084933 /nfs/dbraw/zinc/08/49/33/564084933.db2.gz XDNNQRWNFOAJQV-QGZVFWFLSA-N 1 0 349.544 3.885 50 0 EHAARO C[C@H](NC(=O)NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000013005482 564086415 /nfs/dbraw/zinc/08/64/15/564086415.db2.gz NGBDGVDROOTNSX-FXAWDEMLSA-N 1 0 337.467 3.711 50 0 EHAARO CC[NH+]1CCC(N(C)c2ncnc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000013008282 564086475 /nfs/dbraw/zinc/08/64/75/564086475.db2.gz FTBIQVRPPSYFIU-ZDUSSCGKSA-N 1 0 344.528 3.737 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000239654000 564088186 /nfs/dbraw/zinc/08/81/86/564088186.db2.gz BMCHPPYMWVMZIL-FCEWJHQRSA-N 1 0 330.472 3.622 50 0 EHAARO CCOc1ccc(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000241515743 564088360 /nfs/dbraw/zinc/08/83/60/564088360.db2.gz OHQMANMYSVAPKK-HUUCEWRRSA-N 1 0 335.517 3.635 50 0 EHAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000243932518 564088547 /nfs/dbraw/zinc/08/85/47/564088547.db2.gz BWSBEPRSVTVIBO-SFTDATJTSA-N 1 0 328.500 3.924 50 0 EHAARO CCc1oc2ccccc2c1C[NH2+]C[C@H]1CCO[C@H]1c1cnn(C)c1 ZINC000089280233 564088754 /nfs/dbraw/zinc/08/87/54/564088754.db2.gz IYSIEEUKKNLITE-JLTOFOAXSA-N 1 0 339.439 3.596 50 0 EHAARO Cc1nc(CC[NH2+]Cc2ccc(OCc3ccncc3)cc2)c(C)o1 ZINC000089548033 564092821 /nfs/dbraw/zinc/09/28/21/564092821.db2.gz RHOBAWUSVMSZMG-UHFFFAOYSA-N 1 0 337.423 3.598 50 0 EHAARO COc1ccc(-c2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2)c(C)c1 ZINC000426438910 564093753 /nfs/dbraw/zinc/09/37/53/564093753.db2.gz QTVQXJIBXCHQHY-GOSISDBHSA-N 1 0 338.451 3.543 50 0 EHAARO CO[C@]12CC[N@H+](Cc3cc(C(C)C)on3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426442530 564093769 /nfs/dbraw/zinc/09/37/69/564093769.db2.gz KWGRZRWYLRFOTA-YZGWKJHDSA-N 1 0 348.487 3.737 50 0 EHAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc2cc(F)ccc2o1 ZINC000426739131 564094498 /nfs/dbraw/zinc/09/44/98/564094498.db2.gz XLNCJAPCMMQPGJ-CYBMUJFWSA-N 1 0 330.403 3.566 50 0 EHAARO CC(C)Cn1c(Cn2ccnc2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000006665572 564095687 /nfs/dbraw/zinc/09/56/87/564095687.db2.gz WIPVOMSMHPQTDU-UHFFFAOYSA-N 1 0 339.443 3.532 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)CCCc1ccccc1)c1cccc(F)c1 ZINC000036397131 564100671 /nfs/dbraw/zinc/10/06/71/564100671.db2.gz URDFBTBGVOEXMJ-IBGZPJMESA-N 1 0 328.431 3.568 50 0 EHAARO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000006939063 564101909 /nfs/dbraw/zinc/10/19/09/564101909.db2.gz RDXMGPSXXNKVNU-UNMCSNQZSA-N 1 0 339.479 3.948 50 0 EHAARO CSCc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000006992925 564102678 /nfs/dbraw/zinc/10/26/78/564102678.db2.gz WRNMNVYCBCUAIV-UHFFFAOYSA-N 1 0 328.481 3.541 50 0 EHAARO CC(C)N(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)c1ccccc1 ZINC000065477553 564106283 /nfs/dbraw/zinc/10/62/83/564106283.db2.gz BSQMBNPNYXCCKN-FQEVSTJZSA-N 1 0 338.451 3.971 50 0 EHAARO O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000065547904 564107371 /nfs/dbraw/zinc/10/73/71/564107371.db2.gz VQUNVQLNOLXKCZ-LBPRGKRZSA-N 1 0 341.377 3.586 50 0 EHAARO O=C(C[C@H]1C=CCC1)N[C@@H](Cc1ccccc1)C[NH+]1CCCCC1 ZINC000065551824 564107450 /nfs/dbraw/zinc/10/74/50/564107450.db2.gz YOJFTNUFDLEVTM-PMACEKPBSA-N 1 0 326.484 3.556 50 0 EHAARO NC(=O)[C@H]1CCC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000170598156 564109190 /nfs/dbraw/zinc/10/91/90/564109190.db2.gz ICYMZLBZVILRFJ-ZDUSSCGKSA-N 1 0 329.271 3.513 50 0 EHAARO Cc1cc2oc(=O)cc(C[N@@H+]([C@@H](C)CO)C3CCCC3)c2cc1C ZINC000170607230 564109598 /nfs/dbraw/zinc/10/95/98/564109598.db2.gz DKGGRELFCFLCJZ-HNNXBMFYSA-N 1 0 329.440 3.535 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000013327652 564111553 /nfs/dbraw/zinc/11/15/53/564111553.db2.gz ZORIMMKDQCNDMX-MRXNPFEDSA-N 1 0 346.515 3.740 50 0 EHAARO O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089834926 564114113 /nfs/dbraw/zinc/11/41/13/564114113.db2.gz UPKGNRFSSYIUCS-FQEVSTJZSA-N 1 0 346.434 3.680 50 0 EHAARO c1cn2c(C[NH2+][C@H]3CCOc4ccccc43)c(C3CC3)nc2s1 ZINC000089857811 564114280 /nfs/dbraw/zinc/11/42/80/564114280.db2.gz XILTTWVDJWNDRU-AWEZNQCLSA-N 1 0 325.437 3.887 50 0 EHAARO O=C(Nc1cc(-c2ccco2)ccc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000076082065 564115416 /nfs/dbraw/zinc/11/54/16/564115416.db2.gz VAZKQPUYFPITFE-HNNXBMFYSA-N 1 0 343.402 3.788 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H](CC)C1 ZINC000089948905 564115769 /nfs/dbraw/zinc/11/57/69/564115769.db2.gz YBAZYAUSNUIWBM-ZBFHGGJFSA-N 1 0 342.405 3.832 50 0 EHAARO C[C@@H](Nc1ncnc2sc3c(c21)CCCC3)C(C)(C)C[NH+](C)C ZINC000170639392 564117612 /nfs/dbraw/zinc/11/76/12/564117612.db2.gz AWWDPZUJBFYWJB-GFCCVEGCSA-N 1 0 332.517 3.958 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1 ZINC000252486147 564119367 /nfs/dbraw/zinc/11/93/67/564119367.db2.gz FTFUAJAEUGQSQX-NWDGAFQWSA-N 1 0 330.448 3.567 50 0 EHAARO Fc1cccc2c(NCc3cccc(C[NH+]4CCCC4)c3)ncnc12 ZINC000252489208 564119432 /nfs/dbraw/zinc/11/94/32/564119432.db2.gz JKOASVBSMNMKOO-UHFFFAOYSA-N 1 0 336.414 3.977 50 0 EHAARO C[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1c1ccccc1 ZINC000252549731 564120777 /nfs/dbraw/zinc/12/07/77/564120777.db2.gz RTRKFVLPPZQZNX-NSEAXLEKSA-N 1 0 326.484 3.559 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)ccc1Br ZINC000007777008 564123019 /nfs/dbraw/zinc/12/30/19/564123019.db2.gz AMYLBNRQWQJYON-IAQYHMDHSA-N 1 0 339.277 3.864 50 0 EHAARO C[NH2+]CCCC(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000195543268 564123676 /nfs/dbraw/zinc/12/36/76/564123676.db2.gz HGDHFRGLTCUHHH-LLVKDONJSA-N 1 0 347.311 3.911 50 0 EHAARO COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000195556460 564123775 /nfs/dbraw/zinc/12/37/75/564123775.db2.gz QONYXESWMBNRHF-INIZCTEOSA-N 1 0 342.405 3.689 50 0 EHAARO CCN(C(=O)C1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000253392120 564130455 /nfs/dbraw/zinc/13/04/55/564130455.db2.gz NILJHRNEZUHSQB-UHFFFAOYSA-N 1 0 340.389 3.933 50 0 EHAARO C[NH+](C)[C@H]1CCCN(C(=O)CC(C)(C)CC(=O)c2ccccc2)CC1 ZINC000253431012 564131778 /nfs/dbraw/zinc/13/17/78/564131778.db2.gz NEPYCVHQTJGODG-SFHVURJKSA-N 1 0 344.499 3.618 50 0 EHAARO C[N@H+](CCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012657555 564135453 /nfs/dbraw/zinc/13/54/53/564135453.db2.gz NINCEUANGIAEBE-CGJBRMOZSA-N 1 0 349.559 3.683 50 0 biogenic EHAARO Cc1nc(-c2cccnc2)nc(NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000078804473 564137237 /nfs/dbraw/zinc/13/72/37/564137237.db2.gz FECVUQCNMLROTQ-IBGZPJMESA-N 1 0 347.466 3.870 50 0 EHAARO OC1(c2ccc(-c3ccccc3)cc2)CC[NH+](CCn2ccnc2)CC1 ZINC000278948496 564139132 /nfs/dbraw/zinc/13/91/32/564139132.db2.gz YNJNWTASRAWXTJ-UHFFFAOYSA-N 1 0 347.462 3.534 50 0 EHAARO Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CCO2 ZINC000095412224 564139668 /nfs/dbraw/zinc/13/96/68/564139668.db2.gz NIDBOGLAODWHOF-LJQANCHMSA-N 1 0 337.467 3.912 50 0 EHAARO C[C@@H]([NH2+]CCCc1ccc(Br)cc1F)c1cnccn1 ZINC000095422596 564140084 /nfs/dbraw/zinc/14/00/84/564140084.db2.gz PJHIJSSPMXSKQI-LLVKDONJSA-N 1 0 338.224 3.662 50 0 EHAARO CCC(=O)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 ZINC000095545666 564141733 /nfs/dbraw/zinc/14/17/33/564141733.db2.gz OKZHJACMLDUHPK-UHFFFAOYSA-N 1 0 326.444 3.533 50 0 EHAARO C[C@@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)Cc1cccs1 ZINC000095968544 564143196 /nfs/dbraw/zinc/14/31/96/564143196.db2.gz DOGVSJXVDJSHNH-MRXNPFEDSA-N 1 0 329.513 3.576 50 0 EHAARO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cnc2ccsc2c1 ZINC000095969221 564143376 /nfs/dbraw/zinc/14/33/76/564143376.db2.gz SLDGSVWULGHTGN-TZMCWYRMSA-N 1 0 342.443 3.760 50 0 EHAARO CC(C)N(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095977822 564143594 /nfs/dbraw/zinc/14/35/94/564143594.db2.gz FFKSPTIXWZPDAW-XJKSGUPXSA-N 1 0 341.858 3.522 50 0 EHAARO Cc1ccc([C@H](O)C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1 ZINC000095987825 564143980 /nfs/dbraw/zinc/14/39/80/564143980.db2.gz QDNOXYSTUUWINT-YUXAGFNASA-N 1 0 338.495 3.529 50 0 EHAARO COc1cccc2cc([C@@H](C)[NH2+][C@H]3CCc4nc(C)cn4C3)oc21 ZINC000095987867 564144058 /nfs/dbraw/zinc/14/40/58/564144058.db2.gz XQOOCYCCSFKVOK-HIFRSBDPSA-N 1 0 325.412 3.612 50 0 EHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC000096407729 564147417 /nfs/dbraw/zinc/14/74/17/564147417.db2.gz QUOVSUMNAHMRGL-IINYFYTJSA-N 1 0 349.887 3.653 50 0 EHAARO O=C(NC1CC(c2cccc(Cl)c2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000096437570 564148105 /nfs/dbraw/zinc/14/81/05/564148105.db2.gz QBKXGTJKQRUBAX-UHFFFAOYSA-N 1 0 347.890 3.512 50 0 EHAARO Cc1ncsc1CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000096482757 564148596 /nfs/dbraw/zinc/14/85/96/564148596.db2.gz NGXVCAISUIHIMH-UHFFFAOYSA-N 1 0 342.512 3.596 50 0 EHAARO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)cc1 ZINC000097238040 564149616 /nfs/dbraw/zinc/14/96/16/564149616.db2.gz RYWCAJLNRCBQLS-OAHLLOKOSA-N 1 0 348.450 3.896 50 0 EHAARO CC[NH+](CC)CCCNCC(=O)Nc1ccccc1-c1ccccc1 ZINC000002647857 564151847 /nfs/dbraw/zinc/15/18/47/564151847.db2.gz UYNAAZRKCUBGRH-UHFFFAOYSA-N 1 0 339.483 3.614 50 0 EHAARO CSc1ccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2F)cc1 ZINC000002664072 564152090 /nfs/dbraw/zinc/15/20/90/564152090.db2.gz CTTLDHGLOBTJPN-QGZVFWFLSA-N 1 0 349.471 3.557 50 0 EHAARO COCCN(C(=S)Nc1cccc(C)c1)C1CC[NH+](C(C)C)CC1 ZINC000002933480 564153117 /nfs/dbraw/zinc/15/31/17/564153117.db2.gz SCOGYPCUDYCMOB-UHFFFAOYSA-N 1 0 349.544 3.513 50 0 EHAARO COc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)c1 ZINC000003058365 564154773 /nfs/dbraw/zinc/15/47/73/564154773.db2.gz XNZHMNKAIBDCTI-UHFFFAOYSA-N 1 0 347.528 3.731 50 0 EHAARO C[NH+](C)CCCN(Cc1cccs1)C(=S)NCc1ccccc1 ZINC000003357224 564157666 /nfs/dbraw/zinc/15/76/66/564157666.db2.gz ZBXDABJQXYWIJX-UHFFFAOYSA-N 1 0 347.553 3.577 50 0 EHAARO CC(=O)NC1CCC([NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000133692646 564159668 /nfs/dbraw/zinc/15/96/68/564159668.db2.gz KGQQRYGPPKQAPH-GPANFISMSA-N 1 0 346.368 3.856 50 0 EHAARO Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C)CC2)cc1 ZINC000004248011 564161282 /nfs/dbraw/zinc/16/12/82/564161282.db2.gz HJNVHZHWEDIPKE-HXUWFJFHSA-N 1 0 347.462 3.960 50 0 EHAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2C(F)(F)F)on1 ZINC000066391163 564162257 /nfs/dbraw/zinc/16/22/57/564162257.db2.gz OAEVOKSUQYOEQR-WDEREUQCSA-N 1 0 341.333 3.680 50 0 EHAARO Cc1ccccc1[C@@H](Nc1ncnc2c1CC[NH2+]C2)c1ccccc1 ZINC000067675990 564166308 /nfs/dbraw/zinc/16/63/08/564166308.db2.gz OUPJOHKULSBRNY-FQEVSTJZSA-N 1 0 330.435 3.632 50 0 EHAARO O=C(N[C@@H]1CCc2ccccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000068843934 564167725 /nfs/dbraw/zinc/16/77/25/564167725.db2.gz XVNFMRBMXURCIZ-HXUWFJFHSA-N 1 0 341.499 3.628 50 0 EHAARO CCOc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc(C)on2)cc1 ZINC000039987634 564167763 /nfs/dbraw/zinc/16/77/63/564167763.db2.gz IENWHOGECGOBKN-QGZVFWFLSA-N 1 0 343.427 3.547 50 0 EHAARO c1csc(CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000069016117 564168005 /nfs/dbraw/zinc/16/80/05/564168005.db2.gz ZGUQHGHBFNCXLR-UHFFFAOYSA-N 1 0 340.452 3.615 50 0 EHAARO O=C(NCCC[NH+]1CCCCC1)Nc1ccccc1C(F)(F)F ZINC000040095994 564168013 /nfs/dbraw/zinc/16/80/13/564168013.db2.gz FLTHXFQZHNUIGW-UHFFFAOYSA-N 1 0 329.366 3.703 50 0 EHAARO c1ncn(C[C@H]2CCCC[N@@H+]2Cc2ccccc2Oc2cccnc2)n1 ZINC000069599140 564170851 /nfs/dbraw/zinc/17/08/51/564170851.db2.gz KHDCAVACIKIDPK-GOSISDBHSA-N 1 0 349.438 3.520 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)s1 ZINC000090404235 1032405518 /nfs/dbraw/zinc/40/55/18/1032405518.db2.gz YVDPIUSTCBCWMM-ZDUSSCGKSA-N 1 0 329.469 3.819 50 0 EHAARO CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289957395 1020778962 /nfs/dbraw/zinc/77/89/62/1020778962.db2.gz WIEOEMLYMOPVCA-INIZCTEOSA-N 1 0 347.434 3.579 50 0 EHAARO CN(Cc1ccccc1-c1ccccc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237173126 1023066101 /nfs/dbraw/zinc/06/61/01/1023066101.db2.gz YEBTXAXAYJMUGW-FQEVSTJZSA-N 1 0 334.463 3.702 50 0 EHAARO CC(=O)N1CCc2cc(-c3nc(C4C=CC=CC4=[NH2+])sc3C)ccc21 ZINC000016245308 1028051721 /nfs/dbraw/zinc/05/17/21/1028051721.db2.gz BITZKBIMQLGXPB-CSUXDTRPSA-N 1 0 349.459 3.978 50 0 EHAARO O=C1CCCN1Cc1cccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000177994407 1035492674 /nfs/dbraw/zinc/49/26/74/1035492674.db2.gz FWCICKODDVLVSJ-FQEVSTJZSA-N 1 0 338.426 3.725 50 0 EHAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000000216988 1035768391 /nfs/dbraw/zinc/76/83/91/1035768391.db2.gz VTRQEQALPXRJSG-UHFFFAOYSA-N 1 0 338.220 3.583 50 0 EHAARO CC(C)c1ccc([C@@H](NC(=O)NC2CC[NH+](C)CC2)C(C)C)cc1 ZINC000043180748 1039233101 /nfs/dbraw/zinc/23/31/01/1039233101.db2.gz PDFPBRIFTWFTMZ-IBGZPJMESA-N 1 0 331.504 3.901 50 0 EHAARO CCOC1CC2(C1)CC[N@H+](Cc1cnc(-c3ccccn3)s1)C2 ZINC000348880861 1040344999 /nfs/dbraw/zinc/34/49/99/1040344999.db2.gz WBMDPDYKEOWGFA-UHFFFAOYSA-N 1 0 329.469 3.596 50 0 EHAARO Cn1nc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c2ccccc21 ZINC000527921315 1127606107 /nfs/dbraw/zinc/60/61/07/1127606107.db2.gz WIBLLPGBXLFFSY-UHFFFAOYSA-N 1 0 348.450 3.812 50 0 EHAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000011665434 1128856170 /nfs/dbraw/zinc/85/61/70/1128856170.db2.gz TWXPQRAMEFKBKS-IBGZPJMESA-N 1 0 338.451 3.964 50 0 EHAARO CCc1ccc(C[NH2+]C2(c3ccc(OC)c(F)c3)CCOCC2)cn1 ZINC000352703758 1123102893 /nfs/dbraw/zinc/10/28/93/1123102893.db2.gz FTXJFPDWVDWBOR-UHFFFAOYSA-N 1 0 344.430 3.587 50 0 EHAARO Fc1ccc(COC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000181533120 1124914587 /nfs/dbraw/zinc/91/45/87/1124914587.db2.gz CAXJHAFAGDOEGX-UHFFFAOYSA-N 1 0 341.426 3.942 50 0 EHAARO C[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000012053190 1129307922 /nfs/dbraw/zinc/30/79/22/1129307922.db2.gz SESQHTMHOFGIRN-UHFFFAOYSA-N 1 0 335.407 3.775 50 0 EHAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000012080232 1129330959 /nfs/dbraw/zinc/33/09/59/1129330959.db2.gz RAOUJUSLZFHYMX-UHFFFAOYSA-N 1 0 348.450 3.860 50 0 EHAARO Cc1cccc(CN2CC[C@@H]([N@H+](C)Cc3ccco3)CCC2=O)c1 ZINC000012455420 1129944425 /nfs/dbraw/zinc/94/44/25/1129944425.db2.gz KCWYZBUHGYLERP-SFHVURJKSA-N 1 0 326.440 3.601 50 0 EHAARO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCC[NH+]1CCCCC1 ZINC000827884258 1131410222 /nfs/dbraw/zinc/41/02/22/1131410222.db2.gz NWDAUQKFJVNLBD-UHFFFAOYSA-N 1 0 342.405 3.930 50 0 EHAARO CC(C)c1nn(C)c2[nH]c(-c3ccc(C[NH+]4CCCC4)s3)nc12 ZINC000822279771 1130979684 /nfs/dbraw/zinc/97/96/84/1130979684.db2.gz GLRLCGDPJBKNKE-UHFFFAOYSA-N 1 0 329.473 3.744 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)c2cccs2)CC1 ZINC000581808289 1132370875 /nfs/dbraw/zinc/37/08/75/1132370875.db2.gz LCHVIMOGKUKJGH-UHFFFAOYSA-N 1 0 329.469 3.683 50 0 EHAARO CC(C)Oc1ccc(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000585084040 1136972046 /nfs/dbraw/zinc/97/20/46/1136972046.db2.gz KEHUAZAFAIKFRZ-UHFFFAOYSA-N 1 0 341.455 3.789 50 0 EHAARO Cc1ccc(Nc2ccccc2C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000585089251 1136989443 /nfs/dbraw/zinc/98/94/43/1136989443.db2.gz MNYYVYIDIVDSEB-IBGZPJMESA-N 1 0 337.467 3.938 50 0 EHAARO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2oc3ccccc3c2Cl)C1 ZINC000585118294 1137009051 /nfs/dbraw/zinc/00/90/51/1137009051.db2.gz JFDJUQWAOVSUJE-NEPJUHHUSA-N 1 0 341.860 3.532 50 0 EHAARO C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(C)([NH+](C)C)CC1 ZINC000585133666 1137021847 /nfs/dbraw/zinc/02/18/47/1137021847.db2.gz PYDDNLLNROWUGB-CYBMUJFWSA-N 1 0 336.430 3.909 50 0 EHAARO Cc1cc(N2CC[C@@H](OCc3ccncc3)C2)c2cc(F)ccc2[nH+]1 ZINC000192907714 1137456821 /nfs/dbraw/zinc/45/68/21/1137456821.db2.gz NDZUCVOCVBXUCS-QGZVFWFLSA-N 1 0 337.398 3.873 50 0 EHAARO C[C@@H](c1ccccc1)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000952884200 1137483391 /nfs/dbraw/zinc/48/33/91/1137483391.db2.gz VZYSVIHMLXNSAJ-GXTWGEPZSA-N 1 0 338.377 3.596 50 0 EHAARO Cc1ccc(NC(C)(C)C(=O)N(C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000952984797 1137485303 /nfs/dbraw/zinc/48/53/03/1137485303.db2.gz SBFCQEGXSVOICG-UHFFFAOYSA-N 1 0 345.531 3.953 50 0 EHAARO Cc1cc(OCc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)cc(C)c1Cl ZINC000222314569 1137879299 /nfs/dbraw/zinc/87/92/99/1137879299.db2.gz KUKPAIQQFQOLQN-JOCQHMNTSA-N 1 0 346.862 3.667 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCCCc1ccccc1 ZINC000008320554 201744975 /nfs/dbraw/zinc/74/49/75/201744975.db2.gz OLIQUSGBLARNHN-QGZVFWFLSA-N 1 0 328.481 3.634 50 0 EHAARO Cc1ccccc1-c1cnnc(NCC2([NH+](C)C)CCCCC2)n1 ZINC000011844598 201816770 /nfs/dbraw/zinc/81/67/70/201816770.db2.gz NMFKPJBYAKBBLX-UHFFFAOYSA-N 1 0 325.460 3.523 50 0 EHAARO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019363257 202006435 /nfs/dbraw/zinc/00/64/35/202006435.db2.gz UOMBRGFRARDBQJ-FCHUYYIVSA-N 1 0 336.479 3.663 50 0 EHAARO Cc1cc(C)c(C[NH2+][C@H]2COc3ccccc3C2)c(-n2cccn2)c1 ZINC000019771024 202020041 /nfs/dbraw/zinc/02/00/41/202020041.db2.gz QIMYIKFBUBGZGU-GOSISDBHSA-N 1 0 333.435 3.582 50 0 EHAARO CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1OC ZINC000020175459 202034747 /nfs/dbraw/zinc/03/47/47/202034747.db2.gz XVXWWBFSBXFBOS-MRXNPFEDSA-N 1 0 335.831 3.571 50 0 EHAARO COCc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)o1 ZINC000020206190 202035688 /nfs/dbraw/zinc/03/56/88/202035688.db2.gz BHVJUKDYKHRGCC-IBGZPJMESA-N 1 0 342.483 3.565 50 0 EHAARO Cc1ccccc1OCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020482290 202045516 /nfs/dbraw/zinc/04/55/16/202045516.db2.gz CWMVNVVIGSINAA-UHFFFAOYSA-N 1 0 338.495 3.972 50 0 EHAARO C[NH+]1CCC(n2[nH]cc3nc(-c4ccc(C(F)(F)F)cc4)nc2-3)CC1 ZINC000020538792 202047294 /nfs/dbraw/zinc/04/72/94/202047294.db2.gz FAANDEQADLAZMK-UHFFFAOYSA-N 1 0 349.360 3.712 50 0 EHAARO c1nc(-c2ccccc2)sc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020993086 202060005 /nfs/dbraw/zinc/06/00/05/202060005.db2.gz ZCUKYYPOCIKDJQ-QGZVFWFLSA-N 1 0 327.497 3.870 50 0 EHAARO CC[C@@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021169758 202063083 /nfs/dbraw/zinc/06/30/83/202063083.db2.gz HWDBQBWUEQGVFN-FGZHOGPDSA-N 1 0 339.479 3.709 50 0 EHAARO CC[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170194 202063243 /nfs/dbraw/zinc/06/32/43/202063243.db2.gz KFESWWHZXAIWTH-LEWJYISDSA-N 1 0 343.442 3.539 50 0 EHAARO CC(C)c1cc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)[nH]n1 ZINC000022914180 202094857 /nfs/dbraw/zinc/09/48/57/202094857.db2.gz UNWRKOIZGGQWPM-FQEVSTJZSA-N 1 0 340.515 3.672 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)N[C@H](c1ccccc1)C1CC1)c1ccsc1 ZINC000026149308 202138719 /nfs/dbraw/zinc/13/87/19/202138719.db2.gz ISBVGNRWMSLRCY-QZTJIDSGSA-N 1 0 343.496 3.801 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCCCCC2)cc1 ZINC000027584507 202157713 /nfs/dbraw/zinc/15/77/13/202157713.db2.gz SKOSUCKDYBLVEG-SFHVURJKSA-N 1 0 326.440 3.935 50 0 EHAARO COc1ccc(C)cc1C[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000032870872 202238676 /nfs/dbraw/zinc/23/86/76/202238676.db2.gz IJQUNBHNBUGWCI-UHFFFAOYSA-N 1 0 330.403 3.603 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 ZINC000033028938 202248136 /nfs/dbraw/zinc/24/81/36/202248136.db2.gz XIUIJUSWBSSCBC-MRXNPFEDSA-N 1 0 338.785 3.651 50 0 EHAARO CCCNC(=O)C1CC[NH+](Cc2c(C)n(CC)c3ccccc23)CC1 ZINC000035527072 202305774 /nfs/dbraw/zinc/30/57/74/202305774.db2.gz OLYGGCDBGPZGPI-UHFFFAOYSA-N 1 0 341.499 3.708 50 0 EHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2)cc1 ZINC000036095161 202314320 /nfs/dbraw/zinc/31/43/20/202314320.db2.gz LPYSIDKPIIRVCV-LJQANCHMSA-N 1 0 343.467 3.593 50 0 EHAARO Cc1ccccc1OCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000036396624 202325106 /nfs/dbraw/zinc/32/51/06/202325106.db2.gz GIOGXLSCSWUHLM-UHFFFAOYSA-N 1 0 344.499 3.679 50 0 EHAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)n1 ZINC000071876105 202351850 /nfs/dbraw/zinc/35/18/50/202351850.db2.gz KBKISAXORMRQAS-KRWDZBQOSA-N 1 0 338.455 3.738 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000071878769 202352435 /nfs/dbraw/zinc/35/24/35/202352435.db2.gz CWOJQBHTIBLETN-IBGZPJMESA-N 1 0 335.455 3.560 50 0 EHAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000072298359 202362819 /nfs/dbraw/zinc/36/28/19/202362819.db2.gz KKYFWNLQUOLRMD-OAHLLOKOSA-N 1 0 349.862 3.741 50 0 EHAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2)C12CCCCC2 ZINC000076021609 202379245 /nfs/dbraw/zinc/37/92/45/202379245.db2.gz YRZGKKFZEUAKAN-RBUKOAKNSA-N 1 0 333.472 3.921 50 0 EHAARO Cc1nc2ccccn2c1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000075572574 202381330 /nfs/dbraw/zinc/38/13/30/202381330.db2.gz YLTXSBLGASTBIA-FQEVSTJZSA-N 1 0 334.467 3.569 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(OC(C)C)c(F)c2)cc1 ZINC000078602383 202397282 /nfs/dbraw/zinc/39/72/82/202397282.db2.gz QSYUSHAGVJYUAY-UHFFFAOYSA-N 1 0 330.403 3.861 50 0 EHAARO Fc1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc(F)c1F ZINC000076396400 202388048 /nfs/dbraw/zinc/38/80/48/202388048.db2.gz GOGGUKWPFOOQJZ-UHFFFAOYSA-N 1 0 331.341 3.639 50 0 EHAARO O=C(Cc1ccc2ccccc2c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027333639 212553860 /nfs/dbraw/zinc/55/38/60/212553860.db2.gz OSFWPAUSGLQFET-HXUWFJFHSA-N 1 0 348.446 3.929 50 0 EHAARO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)C[C@@H]2c2cccs2)cc1 ZINC000227150446 201038314 /nfs/dbraw/zinc/03/83/14/201038314.db2.gz RGUCWJXJVKWPAM-HOCLYGCPSA-N 1 0 329.469 3.523 50 0 EHAARO CCOP(=O)(OCC)C(CCC[NH3+])P(=O)(OCC)OCC ZINC000034549940 201076609 /nfs/dbraw/zinc/07/66/09/201076609.db2.gz HNDLSFPAWVPPTH-UHFFFAOYSA-N 1 0 345.313 3.584 50 0 EHAARO Cc1nnc2n1C[C@H]([NH2+]Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000065539084 201155828 /nfs/dbraw/zinc/15/58/28/201155828.db2.gz ZZOSZSXQGOLVMP-OAHLLOKOSA-N 1 0 342.830 3.605 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)cc2c1C ZINC000253535004 201187550 /nfs/dbraw/zinc/18/75/50/201187550.db2.gz CKESOXJUHXOFCW-YLJYHZDGSA-N 1 0 339.483 3.779 50 0 EHAARO Clc1ccc(-n2cccc2CN2CCC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000023359714 212370100 /nfs/dbraw/zinc/37/01/00/212370100.db2.gz KZQVHYCVSHRBAF-QGZVFWFLSA-N 1 0 344.890 3.586 50 0 EHAARO FC1(F)CC[NH+](Cc2ccc(OCCCn3ccnc3)cc2)CC1 ZINC000216319726 241182296 /nfs/dbraw/zinc/18/22/96/241182296.db2.gz JLPBZSBPOMZUSG-UHFFFAOYSA-N 1 0 335.398 3.583 50 0 EHAARO COCC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1Cl ZINC000216427024 241192308 /nfs/dbraw/zinc/19/23/08/241192308.db2.gz NXQGITUHKATZOF-CQSZACIVSA-N 1 0 327.852 3.748 50 0 EHAARO COC[C@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000215534085 241131906 /nfs/dbraw/zinc/13/19/06/241131906.db2.gz MHAWKVWLYWFMSZ-IBGZPJMESA-N 1 0 341.451 3.743 50 0 EHAARO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000215648647 241137388 /nfs/dbraw/zinc/13/73/88/241137388.db2.gz RWIQRPKMJGGQOP-IBGZPJMESA-N 1 0 339.464 3.540 50 0 EHAARO COc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000021835776 212254739 /nfs/dbraw/zinc/25/47/39/212254739.db2.gz PXUYQTXIGSBVNL-HNNXBMFYSA-N 1 0 345.468 3.715 50 0 EHAARO Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)C[C@H]1c1cccs1 ZINC000230134418 242238424 /nfs/dbraw/zinc/23/84/24/242238424.db2.gz QWCOJHPPWYMUAL-LSDHHAIUSA-N 1 0 329.469 3.523 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2sc3c(c21)C[C@H](C)CC3 ZINC000002367647 201531195 /nfs/dbraw/zinc/53/11/95/201531195.db2.gz FKKFHMOVGAKEOG-CYBMUJFWSA-N 1 0 332.517 3.960 50 0 EHAARO O[C@@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000002966144 201552652 /nfs/dbraw/zinc/55/26/52/201552652.db2.gz JIOZYGAPYXLMOZ-LJQANCHMSA-N 1 0 327.835 3.600 50 0 EHAARO CC(C)COc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004840995 201622813 /nfs/dbraw/zinc/62/28/13/201622813.db2.gz KWMZSOSFYLSWAD-UHFFFAOYSA-N 1 0 332.488 3.760 50 0 EHAARO O=C(CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1)Nc1nccs1 ZINC000244574873 243041313 /nfs/dbraw/zinc/04/13/13/243041313.db2.gz CSTHVAJFPFODTD-ZDUSSCGKSA-N 1 0 335.860 3.615 50 0 EHAARO COc1ccc(C)cc1C(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071735846 203104583 /nfs/dbraw/zinc/10/45/83/203104583.db2.gz DPELOCKBDUDWBA-IBGZPJMESA-N 1 0 344.499 3.586 50 0 EHAARO C[C@H]1CCCC[N@@H+]1CCNc1nc(-c2ccncc2)nc2ccccc21 ZINC000071811027 203117761 /nfs/dbraw/zinc/11/77/61/203117761.db2.gz KADMHECSHNYCPA-INIZCTEOSA-N 1 0 347.466 3.978 50 0 EHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000071915340 203149545 /nfs/dbraw/zinc/14/95/45/203149545.db2.gz SSAIAXGKXYBTQP-UHFFFAOYSA-N 1 0 337.467 3.717 50 0 EHAARO COc1ccc(-c2noc(C[N@H+](C)C3CCC(C)CC3)n2)cc1OC ZINC000071867380 203133119 /nfs/dbraw/zinc/13/31/19/203133119.db2.gz WMQOYMQFQBAIBA-UHFFFAOYSA-N 1 0 345.443 3.764 50 0 EHAARO Cc1cc(F)ccc1CN(Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000072143483 203169301 /nfs/dbraw/zinc/16/93/01/203169301.db2.gz SSKKCMIVKUKFMN-UHFFFAOYSA-N 1 0 327.447 3.626 50 0 EHAARO CNc1nc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072150726 203173637 /nfs/dbraw/zinc/17/36/37/203173637.db2.gz MAKLXCHQABVMAU-GOSISDBHSA-N 1 0 344.528 3.974 50 0 EHAARO Cc1c[nH+]ccc1NCCn1ccnc1-c1ccnc2ccccc21 ZINC000072165060 203177771 /nfs/dbraw/zinc/17/77/71/203177771.db2.gz IVHCWAHKAZNXCE-UHFFFAOYSA-N 1 0 329.407 3.914 50 0 EHAARO COc1ccc2c(c1)n[nH]c2C[N@H+](C)Cc1cccc2ncccc12 ZINC000072165112 203180090 /nfs/dbraw/zinc/18/00/90/203180090.db2.gz YECILBPIAKTTQC-UHFFFAOYSA-N 1 0 332.407 3.752 50 0 EHAARO COc1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3F)C1)OCO2 ZINC000072475449 203231010 /nfs/dbraw/zinc/23/10/10/203231010.db2.gz QEBWPOLZFCIUCR-CYBMUJFWSA-N 1 0 329.371 3.553 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@H](Nc3cnc4ccccc4n3)C2)c1 ZINC000072406936 203216358 /nfs/dbraw/zinc/21/63/58/203216358.db2.gz CUXLDQFPCQLEGB-KRWDZBQOSA-N 1 0 348.450 3.715 50 0 EHAARO Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000072419050 203218512 /nfs/dbraw/zinc/21/85/12/203218512.db2.gz ZIUGKSLDDKHZRW-CQSZACIVSA-N 1 0 333.863 3.829 50 0 EHAARO Cc1ccccc1[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000072419378 203218618 /nfs/dbraw/zinc/21/86/18/203218618.db2.gz JUGTWVLCAMJDGD-IBGZPJMESA-N 1 0 325.452 3.746 50 0 EHAARO Cc1cc2nc(-c3ccccc3)cc(N(C)CCC[NH+]3CCCC3)n2n1 ZINC000072423891 203219946 /nfs/dbraw/zinc/21/99/46/203219946.db2.gz IQKAWDZWTZYCRB-UHFFFAOYSA-N 1 0 349.482 3.627 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1F ZINC000077323818 203379815 /nfs/dbraw/zinc/37/98/15/203379815.db2.gz PORBKDSCWZSNOG-FQEVSTJZSA-N 1 0 348.437 3.640 50 0 EHAARO Cc1c[nH+]ccc1N1CCCN(Cc2ccc(F)cc2Cl)CC1 ZINC000077354398 203382798 /nfs/dbraw/zinc/38/27/98/203382798.db2.gz OQRDAJIFTFWOPJ-UHFFFAOYSA-N 1 0 333.838 3.895 50 0 EHAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CCCF)CC2 ZINC000077503981 203392213 /nfs/dbraw/zinc/39/22/13/203392213.db2.gz JQCHTLFOPNGWGO-UHFFFAOYSA-N 1 0 338.854 3.514 50 0 EHAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000077504899 203392273 /nfs/dbraw/zinc/39/22/73/203392273.db2.gz QYMFQYTXYAWQFE-KRWDZBQOSA-N 1 0 336.414 3.990 50 0 EHAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000078710960 203426483 /nfs/dbraw/zinc/42/64/83/203426483.db2.gz HFPOVOGZZHZILD-OALUTQOASA-N 1 0 340.467 3.754 50 0 EHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C=C/c2cnccn2)cc1 ZINC000084692299 203535807 /nfs/dbraw/zinc/53/58/07/203535807.db2.gz REDINWVELYUWCN-SCOAYWHSSA-N 1 0 336.439 3.503 50 0 EHAARO COc1ccc(Br)cc1C[N@H+](C)CCc1ccccn1 ZINC000019606927 212051766 /nfs/dbraw/zinc/05/17/66/212051766.db2.gz OKWNQXXBELXFGK-UHFFFAOYSA-N 1 0 335.245 3.527 50 0 EHAARO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000095983738 203784573 /nfs/dbraw/zinc/78/45/73/203784573.db2.gz JFXBYXLZTNCKGB-KSSFIOAISA-N 1 0 344.405 3.681 50 0 EHAARO c1c2ccccc2oc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000096971512 203903045 /nfs/dbraw/zinc/90/30/45/203903045.db2.gz UMMQINLONOICDR-HXUWFJFHSA-N 1 0 336.435 3.596 50 0 EHAARO CCCOc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c(C)c1 ZINC000102316915 206382095 /nfs/dbraw/zinc/38/20/95/206382095.db2.gz BPRBREKOSPCLRV-UHFFFAOYSA-N 1 0 343.471 3.652 50 0 EHAARO C[C@H](C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000003349396 206459052 /nfs/dbraw/zinc/45/90/52/206459052.db2.gz DEXXSHGSYMDIJX-BEFAXECRSA-N 1 0 333.859 3.611 50 0 EHAARO C[C@@H](c1ccco1)n1cc(-c2cc(C[NH+]3CCCC3)cs2)nn1 ZINC000091872631 218081927 /nfs/dbraw/zinc/08/19/27/218081927.db2.gz MWBAHXQQCGKHBE-ZDUSSCGKSA-N 1 0 328.441 3.805 50 0 EHAARO CCC(=O)c1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000097103636 218955032 /nfs/dbraw/zinc/95/50/32/218955032.db2.gz XSASNEYKZFVHOD-MRXNPFEDSA-N 1 0 343.471 3.619 50 0 EHAARO CCc1ccc(CN(C)C(=O)c2cc(Cl)ccc2OCC[NH3+])cc1 ZINC000426715890 257957566 /nfs/dbraw/zinc/95/75/66/257957566.db2.gz KYCTYJOJFNDJQZ-UHFFFAOYSA-N 1 0 346.858 3.512 50 0 EHAARO Cc1c(CN(C)C(=O)CC[C@H](C)[NH+]2CCCC2)[nH]c2ccccc12 ZINC000426433576 257967827 /nfs/dbraw/zinc/96/78/27/257967827.db2.gz GSFBJBHPQYMDRE-HNNXBMFYSA-N 1 0 327.472 3.699 50 0 EHAARO CCc1noc([C@H](C)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000328593554 258043712 /nfs/dbraw/zinc/04/37/12/258043712.db2.gz IHIJGEMPXNATMJ-GJZGRUSLSA-N 1 0 348.516 3.517 50 0 EHAARO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299780665 258089422 /nfs/dbraw/zinc/08/94/22/258089422.db2.gz KWCDAPVRHCWVBI-MAUKXSAKSA-N 1 0 341.842 3.833 50 0 EHAARO CCn1c(C)cc2cc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)ccc21 ZINC000299786129 258093055 /nfs/dbraw/zinc/09/30/55/258093055.db2.gz MBTXLPFYGIBZSA-ZWKOTPCHSA-N 1 0 340.471 3.670 50 0 EHAARO CCOc1ccc(C(=O)OCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004817626 520921212 /nfs/dbraw/zinc/92/12/12/520921212.db2.gz LMVFSJKEPVNMKH-QFBILLFUSA-N 1 0 331.456 3.897 50 0 biogenic EHAARO Cc1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C(C)C)cc1 ZINC000036101790 524416683 /nfs/dbraw/zinc/41/66/83/524416683.db2.gz QJJOOSHKDRYGHV-OAQYLSRUSA-N 1 0 327.468 3.783 50 0 EHAARO CC[N@@H+]1CCCN(Cc2cnn(-c3ccc4ccccc4c3)c2)CC1 ZINC000215568977 535520907 /nfs/dbraw/zinc/52/09/07/535520907.db2.gz WVOOEJJIBXWCIF-UHFFFAOYSA-N 1 0 334.467 3.553 50 0 EHAARO C[N@@H+]1C[C@@H](CNC(=O)Nc2ccccc2Cl)[C@H](c2cccs2)C1 ZINC000230134455 536485188 /nfs/dbraw/zinc/48/51/88/536485188.db2.gz ZQBHOSGLZDBSEY-CHWSQXEVSA-N 1 0 349.887 3.868 50 0 EHAARO COc1ccc(/C=C/C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1 ZINC000215874361 536596041 /nfs/dbraw/zinc/59/60/41/536596041.db2.gz PQTKIJYJLMFTEQ-LWQICCLCSA-N 1 0 338.451 3.785 50 0 EHAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(F)c(Br)c1)[NH2+]CC2 ZINC000004031354 563492499 /nfs/dbraw/zinc/49/24/99/563492499.db2.gz ZJANSNICGZFVPW-UGFHNGPFSA-N 1 0 328.225 3.544 50 0 EHAARO Cc1c(Cl)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccncc1 ZINC000071883740 563376958 /nfs/dbraw/zinc/37/69/58/563376958.db2.gz TXFTYJKSJGWGSZ-UHFFFAOYSA-N 1 0 346.862 3.639 50 0 EHAARO C[C@@H]1S[C@H](c2c(Cl)cccc2Cl)N(CCC[NH+](C)C)C1=O ZINC000005046084 563519875 /nfs/dbraw/zinc/51/98/75/563519875.db2.gz FWIUTAMHBUJCPA-ZUZCIYMTSA-N 1 0 347.311 3.908 50 0 EHAARO C[C@H]1S[C@H](c2c(Cl)cccc2Cl)N(CCC[NH+](C)C)C1=O ZINC000005046077 563519887 /nfs/dbraw/zinc/51/98/87/563519887.db2.gz FWIUTAMHBUJCPA-MEBBXXQBSA-N 1 0 347.311 3.908 50 0 EHAARO Cc1ccnc(N2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000011820852 563651184 /nfs/dbraw/zinc/65/11/84/563651184.db2.gz CVKDNNHTFJLCJH-FQEVSTJZSA-N 1 0 336.483 3.524 50 0 EHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2F)oc1C ZINC000012226727 563656524 /nfs/dbraw/zinc/65/65/24/563656524.db2.gz BJXQRUUTVIMHSY-AWEZNQCLSA-N 1 0 348.418 3.799 50 0 EHAARO O=C(CC[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1)N1CCCC1 ZINC000012584691 563663858 /nfs/dbraw/zinc/66/38/58/563663858.db2.gz NVAXIDBBESLKRZ-MEDHRJKHSA-N 1 0 344.474 3.954 50 0 EHAARO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2ccc(F)cc2s1 ZINC000004359588 563669387 /nfs/dbraw/zinc/66/93/87/563669387.db2.gz SQPHINVDECBGML-UHFFFAOYSA-N 1 0 347.415 3.627 50 0 EHAARO Cc1ccc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)s1 ZINC000013324141 563694676 /nfs/dbraw/zinc/69/46/76/563694676.db2.gz BDKUMEDARDIRMW-UHFFFAOYSA-N 1 0 344.524 3.783 50 0 EHAARO COCc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)o1 ZINC000015066155 563775215 /nfs/dbraw/zinc/77/52/15/563775215.db2.gz PHNSJTATBQDPIV-CQSZACIVSA-N 1 0 336.382 3.781 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(C)cc2)N3)C1 ZINC000004556139 563779114 /nfs/dbraw/zinc/77/91/14/563779114.db2.gz PKWNGWNXZSEKJM-INIZCTEOSA-N 1 0 327.453 3.863 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCC(C)CC2)o1 ZINC000015860268 563797083 /nfs/dbraw/zinc/79/70/83/563797083.db2.gz KAAUZUAMRWJEBV-GOSISDBHSA-N 1 0 326.440 3.791 50 0 EHAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599543 563815770 /nfs/dbraw/zinc/81/57/70/563815770.db2.gz WMDVTBDOZXABJB-QGZVFWFLSA-N 1 0 340.398 3.913 50 0 EHAARO O=C(NCC[NH+]1CCCCC1)c1sc2cccc(F)c2c1Cl ZINC000016602578 563815778 /nfs/dbraw/zinc/81/57/78/563815778.db2.gz WTXJFZBSUWZPFL-UHFFFAOYSA-N 1 0 340.851 3.910 50 0 EHAARO C[NH+]1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000016603980 563816609 /nfs/dbraw/zinc/81/66/09/563816609.db2.gz BNPBSXNVDGWKQD-UHFFFAOYSA-N 1 0 326.824 3.518 50 0 EHAARO O[C@H](C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1ccc(F)cc1 ZINC000025218696 563882304 /nfs/dbraw/zinc/88/23/04/563882304.db2.gz YTNUFNCMMMCCJP-GOSISDBHSA-N 1 0 340.398 3.880 50 0 EHAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000025436136 563884648 /nfs/dbraw/zinc/88/46/48/563884648.db2.gz CFULFGPAJLFPTE-LJQANCHMSA-N 1 0 330.859 3.504 50 0 EHAARO CCOc1ccc(OCC[N@H+](CC)C[C@H](O)c2ccc(C)cc2)cc1 ZINC000072304966 563914409 /nfs/dbraw/zinc/91/44/09/563914409.db2.gz VRZKMQRAVMKDGE-NRFANRHFSA-N 1 0 343.467 3.828 50 0 EHAARO Cc1ccc(C[N@H+](CCCO)Cc2ccc(-c3cc[nH]n3)s2)s1 ZINC000055119301 563933801 /nfs/dbraw/zinc/93/38/01/563933801.db2.gz GKNOGUUKYPPELW-UHFFFAOYSA-N 1 0 347.509 3.893 50 0 EHAARO O=C(Nc1ccc(F)cc1F)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058014163 563936587 /nfs/dbraw/zinc/93/65/87/563936587.db2.gz YCJJPHCTRIMGHT-UHFFFAOYSA-N 1 0 337.414 3.741 50 0 EHAARO CC1CC[NH+](CCNC(=O)c2cccc3c4c([nH]c32)CCCC4)CC1 ZINC000058358090 563943703 /nfs/dbraw/zinc/94/37/03/563943703.db2.gz JBGWANSIWSXMNQ-UHFFFAOYSA-N 1 0 339.483 3.508 50 0 EHAARO Cc1ccc(OCCN2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000059424750 563949074 /nfs/dbraw/zinc/94/90/74/563949074.db2.gz GKNLQQBCXJOMLY-UHFFFAOYSA-N 1 0 330.516 3.962 50 0 EHAARO O[C@H](C[NH2+]C1CCSCC1)c1cccc(OCc2ccccc2)c1 ZINC000096473207 563954730 /nfs/dbraw/zinc/95/47/30/563954730.db2.gz FDAMBCNNMMTOCJ-HXUWFJFHSA-N 1 0 343.492 3.784 50 0 EHAARO CSCC1(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)CCC1 ZINC000096483862 563955401 /nfs/dbraw/zinc/95/54/01/563955401.db2.gz HEGZWPPDNLRPGY-UHFFFAOYSA-N 1 0 348.512 3.576 50 0 EHAARO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065455763 563961091 /nfs/dbraw/zinc/96/10/91/563961091.db2.gz FJNHCJPHPCOGIL-MRXNPFEDSA-N 1 0 340.442 3.783 50 0 EHAARO COc1ccc(-c2cc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)ccn2)cc1C ZINC000065470342 563961399 /nfs/dbraw/zinc/96/13/99/563961399.db2.gz HYGZXXSZUVNTLT-SFHVURJKSA-N 1 0 348.450 3.778 50 0 EHAARO Cc1cccc(-c2nn3c(CN(C)Cc4ccccc4)nnc3s2)c1 ZINC000067239837 563962251 /nfs/dbraw/zinc/96/22/51/563962251.db2.gz YTHMRBSONXQLPU-UHFFFAOYSA-N 1 0 349.463 3.793 50 0 EHAARO Cc1nc2c(c(NCC[C@@H](c3ccco3)c3ccccc3)n1)CC[NH2+]C2 ZINC000067643135 563962429 /nfs/dbraw/zinc/96/24/29/563962429.db2.gz VAPCKTGPHUORQX-QGZVFWFLSA-N 1 0 348.450 3.658 50 0 EHAARO Cc1ccccc1C(=O)N(C)[C@H](C)C1=CCC[N@H+](Cc2ccccn2)C1 ZINC000067724624 563962623 /nfs/dbraw/zinc/96/26/23/563962623.db2.gz SQYHLWOGVVKEBE-GOSISDBHSA-N 1 0 349.478 3.683 50 0 EHAARO CC[C@@H]1CN(C(=O)c2ccc(-c3ccsc3)nc2)CC[N@@H+]1C(C)C ZINC000067740266 563962636 /nfs/dbraw/zinc/96/26/36/563962636.db2.gz PBFRKWPZSDNHKY-QGZVFWFLSA-N 1 0 343.496 3.755 50 0 EHAARO Cc1ccsc1CN(c1cc(C2CC[NH2+]CC2)nc(C)n1)C1CC1 ZINC000067852100 563962937 /nfs/dbraw/zinc/96/29/37/563962937.db2.gz SJPPXEOIROJYIN-UHFFFAOYSA-N 1 0 342.512 3.791 50 0 EHAARO Oc1cccc2ccc(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)nc12 ZINC000067894845 563963031 /nfs/dbraw/zinc/96/30/31/563963031.db2.gz FRPXPKHQWNOGOG-IBGZPJMESA-N 1 0 349.434 3.517 50 0 EHAARO Cc1nccn1-c1ccccc1C[NH2+]Cc1nc2c(ccc(C)c2C)[nH]1 ZINC000067947606 563963066 /nfs/dbraw/zinc/96/30/66/563963066.db2.gz XQHKOFXHISRSPM-UHFFFAOYSA-N 1 0 345.450 3.964 50 0 EHAARO CSc1ccc2cc(C[N@H+](C)[C@@H](C)c3ccccn3)c(=O)[nH]c2c1 ZINC000067919921 563963122 /nfs/dbraw/zinc/96/31/22/563963122.db2.gz XCAKOZWBTJZUMX-ZDUSSCGKSA-N 1 0 339.464 3.838 50 0 EHAARO CCn1nc(C)c(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c1C ZINC000097051448 563967131 /nfs/dbraw/zinc/96/71/31/563967131.db2.gz WAENAPPHPRRXPS-UHFFFAOYSA-N 1 0 345.462 3.840 50 0 EHAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000097139271 563968163 /nfs/dbraw/zinc/96/81/63/563968163.db2.gz HLJCKTSDNMSANX-AWEZNQCLSA-N 1 0 330.501 3.599 50 0 EHAARO C[C@@H](Nc1cccc(OCc2cscn2)c1)C1CC[NH+](C)CC1 ZINC000097232293 563970801 /nfs/dbraw/zinc/97/08/01/563970801.db2.gz GXGMWSPQYHWBRQ-CQSZACIVSA-N 1 0 331.485 3.864 50 0 EHAARO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc(Br)n1 ZINC000585134646 563971859 /nfs/dbraw/zinc/97/18/59/563971859.db2.gz DISLHERCYFVCFQ-ZFWWWQNUSA-N 1 0 349.272 3.661 50 0 EHAARO CCC[C@@H]1CN(Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1[NH+](C)C ZINC000082116271 563972453 /nfs/dbraw/zinc/97/24/53/563972453.db2.gz OJOJHZGDBPWQRT-GDBMZVCRSA-N 1 0 340.895 3.519 50 0 EHAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)cc(C)[nH+]1 ZINC000091441377 563975393 /nfs/dbraw/zinc/97/53/93/563975393.db2.gz YBFRVMHTMNYSPH-LJQANCHMSA-N 1 0 347.466 3.722 50 0 EHAARO FC(F)(F)CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091830979 563975810 /nfs/dbraw/zinc/97/58/10/563975810.db2.gz MGHDXSPCANXOQQ-DLBZAZTESA-N 1 0 326.406 3.925 50 0 EHAARO CC[C@H](C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000225568557 563975823 /nfs/dbraw/zinc/97/58/23/563975823.db2.gz BORDIPNKKXNLIZ-MOPGFXCFSA-N 1 0 346.540 3.514 50 0 EHAARO CC(C)c1nnc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)s1 ZINC000095355749 563976776 /nfs/dbraw/zinc/97/67/76/563976776.db2.gz PFEREIQECJMZTF-IAGOWNOFSA-N 1 0 342.512 3.762 50 0 EHAARO c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nc4ccccc4[nH]2)C3)cc1 ZINC000095365537 563976826 /nfs/dbraw/zinc/97/68/26/563976826.db2.gz DFCKMLNYPISZDC-RBUKOAKNSA-N 1 0 346.478 3.659 50 0 EHAARO Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000095370919 563976891 /nfs/dbraw/zinc/97/68/91/563976891.db2.gz JQVNWDCFYBBCNJ-WIYYLYMNSA-N 1 0 334.463 3.732 50 0 EHAARO CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)C[C@H]1C(C)C ZINC000095531832 563977528 /nfs/dbraw/zinc/97/75/28/563977528.db2.gz OLGMGEPVDUUIJX-VQTJNVASSA-N 1 0 344.499 3.601 50 0 EHAARO Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000014185194 563983384 /nfs/dbraw/zinc/98/33/84/563983384.db2.gz OWZNGIZEOMQRBZ-SFHVURJKSA-N 1 0 349.434 3.683 50 0 EHAARO COc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccco1 ZINC000000263781 563989853 /nfs/dbraw/zinc/98/98/53/563989853.db2.gz XWDPICUBKFPGED-AWEZNQCLSA-N 1 0 347.484 3.610 50 0 EHAARO O[C@H]1CCC[N@H+](C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000408519082 563993092 /nfs/dbraw/zinc/99/30/92/563993092.db2.gz XZWYSDRKCZAFQQ-XIRDDKMYSA-N 1 0 343.389 3.630 50 0 EHAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000248105852 563995186 /nfs/dbraw/zinc/99/51/86/563995186.db2.gz FUPRUKGYGLGSHD-IAGOWNOFSA-N 1 0 343.858 3.587 50 0 EHAARO COCCc1ccc(OCc2ccc(-c3ccc(C[NH3+])cn3)cc2)cc1 ZINC000426477397 563995766 /nfs/dbraw/zinc/99/57/66/563995766.db2.gz NCULOSLPZRBINW-UHFFFAOYSA-N 1 0 348.446 3.975 50 0 EHAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 ZINC000179018409 563996408 /nfs/dbraw/zinc/99/64/08/563996408.db2.gz IJKCEODUYUSISM-CYBMUJFWSA-N 1 0 346.833 3.828 50 0 EHAARO C[NH+](C)CCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000005177127 564000004 /nfs/dbraw/zinc/00/00/04/564000004.db2.gz URPVZROYJQNEKX-UHFFFAOYSA-N 1 0 343.496 3.649 50 0 EHAARO COc1cccc(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000005525658 564004963 /nfs/dbraw/zinc/00/49/63/564004963.db2.gz HVRINZSEISPUSB-QZTJIDSGSA-N 1 0 329.827 3.877 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000004676132 564013871 /nfs/dbraw/zinc/01/38/71/564013871.db2.gz OSTMXJMDWTTWEB-UHFFFAOYSA-N 1 0 349.434 3.827 50 0 EHAARO CC(C)C(C)(C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000190015696 564016960 /nfs/dbraw/zinc/01/69/60/564016960.db2.gz PVMTVLASSPSVSX-INIZCTEOSA-N 1 0 346.519 3.588 50 0 EHAARO C[C@@H]([NH2+][C@H](C)c1ccncc1)C(=O)Nc1ccccc1Br ZINC000181605318 564024335 /nfs/dbraw/zinc/02/43/35/564024335.db2.gz OZPBMGFWLFRILD-VXGBXAGGSA-N 1 0 348.244 3.522 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccco2)[C@H]1c1cccs1 ZINC000110619657 564025820 /nfs/dbraw/zinc/02/58/20/564025820.db2.gz OLGQEWYLKUJKMS-MHMSXWKFSA-N 1 0 330.453 3.554 50 0 EHAARO CCS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000110688544 564025928 /nfs/dbraw/zinc/02/59/28/564025928.db2.gz RYOFYFYYVUKJDA-MRVWCRGKSA-N 1 0 345.505 3.554 50 0 EHAARO CC(C)c1ccc(OCCOC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000106220044 564026211 /nfs/dbraw/zinc/02/62/11/564026211.db2.gz FFWOYTOSUZFZMF-WSTZPKSXSA-N 1 0 349.515 3.544 50 0 EHAARO CC(C)C[N@H+](C[C@H](O)c1ccccc1)[C@H](C)c1nc(C2CC2)no1 ZINC000106855319 564026695 /nfs/dbraw/zinc/02/66/95/564026695.db2.gz MZKVMPOGWXOPGN-PBHICJAKSA-N 1 0 329.444 3.700 50 0 EHAARO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCc1ccc(O)cc1 ZINC000184056846 564027069 /nfs/dbraw/zinc/02/70/69/564027069.db2.gz GRHYUXBMASRPLD-UHFFFAOYSA-N 1 0 338.451 3.868 50 0 EHAARO Cc1sc2ncnc(N[C@H]3C[N@@H+](C)C[C@H]3c3ccccc3)c2c1C ZINC000108173533 564028015 /nfs/dbraw/zinc/02/80/15/564028015.db2.gz LKXVICHOVBNYEP-HOTGVXAUSA-N 1 0 338.480 3.818 50 0 EHAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000108485555 564028290 /nfs/dbraw/zinc/02/82/90/564028290.db2.gz GQEVWHPZQRHIRL-NZSAHSFTSA-N 1 0 349.478 3.538 50 0 EHAARO CCOc1ccc([C@H](C)NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000045348874 564028434 /nfs/dbraw/zinc/02/84/34/564028434.db2.gz CDNNDHLZBJQHBA-INIZCTEOSA-N 1 0 347.503 3.566 50 0 EHAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000048324392 564030940 /nfs/dbraw/zinc/03/09/40/564030940.db2.gz CTHYYUMGDOTWLX-PKOBYXMFSA-N 1 0 330.472 3.623 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccoc2)C1 ZINC000048343393 564031265 /nfs/dbraw/zinc/03/12/65/564031265.db2.gz CNOQWFCFKIURQC-HZPDHXFCSA-N 1 0 326.440 3.688 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CCCCC1 ZINC000048354321 564031354 /nfs/dbraw/zinc/03/13/54/564031354.db2.gz WUCNUKQMBOHRPI-UHFFFAOYSA-N 1 0 329.488 3.804 50 0 EHAARO COCCNC(=O)C[NH2+][C@@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000049581072 564032853 /nfs/dbraw/zinc/03/28/53/564032853.db2.gz MAGLSKOMRNQVHZ-OAQYLSRUSA-N 1 0 346.515 3.784 50 0 EHAARO Cc1nnc([C@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cc(C)c(C)cc2Cl)[nH]1 ZINC000685940066 564051397 /nfs/dbraw/zinc/05/13/97/564051397.db2.gz HPFXLXOOZRNTEO-JDFRZJQESA-N 1 0 348.878 3.812 50 0 EHAARO CCc1noc(C2CCC([NH2+]Cc3nnc(C(C)(C)C)s3)CC2)n1 ZINC000241383166 564051960 /nfs/dbraw/zinc/05/19/60/564051960.db2.gz MSZOZFDZDDEFSG-UHFFFAOYSA-N 1 0 349.504 3.597 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1Cn1cncn1 ZINC000244796096 564052280 /nfs/dbraw/zinc/05/22/80/564052280.db2.gz RSRRUMNPCUDAMS-FQEVSTJZSA-N 1 0 348.450 3.672 50 0 EHAARO CCOc1ccc(Cl)cc1C[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000252505727 564053555 /nfs/dbraw/zinc/05/35/55/564053555.db2.gz VTFDBZPZQVUAOV-UHFFFAOYSA-N 1 0 347.846 3.594 50 0 EHAARO CCCn1c2ccccc2nc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000012529338 564058177 /nfs/dbraw/zinc/05/81/77/564058177.db2.gz LVGQHDDCQOCNBR-UHFFFAOYSA-N 1 0 336.439 3.760 50 0 EHAARO CN(C)c1ccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000004052754 564061695 /nfs/dbraw/zinc/06/16/95/564061695.db2.gz RBXMSAUXWFTAFL-RBUKOAKNSA-N 1 0 342.870 3.934 50 0 EHAARO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000012677670 564062589 /nfs/dbraw/zinc/06/25/89/564062589.db2.gz ZVTMLENBTMQCPD-VLIAUNLRSA-N 1 0 336.435 3.957 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000012692340 564063271 /nfs/dbraw/zinc/06/32/71/564063271.db2.gz PHYUWWKBPPUWRE-ZBFHGGJFSA-N 1 0 339.483 3.507 50 0 EHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)CCc2ccccc2)cn1 ZINC000083843417 564063673 /nfs/dbraw/zinc/06/36/73/564063673.db2.gz VJWFWOBUIZBDLG-XKGZKEIXSA-N 1 0 327.472 3.592 50 0 EHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cc3cc(F)ccc3o2)cn1 ZINC000083843489 564063726 /nfs/dbraw/zinc/06/37/26/564063726.db2.gz YRUBQYLGPLCTQN-ORAYPTAESA-N 1 0 343.402 3.656 50 0 EHAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)cc2F)cn1 ZINC000083843423 564063731 /nfs/dbraw/zinc/06/37/31/564063731.db2.gz MNJBLLBNCYASMK-VEVIJQCQSA-N 1 0 335.398 3.610 50 0 EHAARO O=C(c1ccc2c(c1)CCCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000084451883 564068204 /nfs/dbraw/zinc/06/82/04/564068204.db2.gz PYXHMZIGBYHFKV-CTNGQTDRSA-N 1 0 338.495 3.654 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@H](CC)C1 ZINC000084736294 564069927 /nfs/dbraw/zinc/06/99/27/564069927.db2.gz LMHYLWHTRGVYSU-RHSMWYFYSA-N 1 0 344.455 3.568 50 0 EHAARO Cc1ccc(-c2ncc(C[NH2+][C@@H]3c4ccccc4C[C@H]3O)s2)cc1 ZINC000085333754 564072704 /nfs/dbraw/zinc/07/27/04/564072704.db2.gz YYJRGZPWUNFCBD-RTBURBONSA-N 1 0 336.460 3.866 50 0 EHAARO Cc1ccc([C@H](C)[N@H+](C)Cc2cc(=O)n3cccc(C)c3n2)s1 ZINC000053213232 564073394 /nfs/dbraw/zinc/07/33/94/564073394.db2.gz LTZGXKFJXFQIBC-AWEZNQCLSA-N 1 0 327.453 3.566 50 0 EHAARO COc1ccc([C@H]2CCC[N@@H+]2CCNC(=O)Nc2ccccc2)cc1 ZINC000085558028 564073969 /nfs/dbraw/zinc/07/39/69/564073969.db2.gz BRVOAICNRRNMRH-LJQANCHMSA-N 1 0 339.439 3.654 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2CCNC(=O)Nc2ccccc2)cc1 ZINC000085558026 564073986 /nfs/dbraw/zinc/07/39/86/564073986.db2.gz BRVOAICNRRNMRH-IBGZPJMESA-N 1 0 339.439 3.654 50 0 EHAARO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc2ccccc2n1 ZINC000063778362 564076874 /nfs/dbraw/zinc/07/68/74/564076874.db2.gz XSJMVXCMGXBCFV-UHFFFAOYSA-N 1 0 325.456 3.571 50 0 EHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1 ZINC000015862258 564076980 /nfs/dbraw/zinc/07/69/80/564076980.db2.gz KZRZIYJNDVXXBB-UHFFFAOYSA-N 1 0 336.435 3.786 50 0 EHAARO CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000129890697 564081832 /nfs/dbraw/zinc/08/18/32/564081832.db2.gz CBZCGVJMOYRCLH-HOTGVXAUSA-N 1 0 349.544 3.841 50 0 EHAARO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)no1 ZINC000122635663 564085060 /nfs/dbraw/zinc/08/50/60/564085060.db2.gz CWOZTMLXVVRXCD-MRXNPFEDSA-N 1 0 341.455 3.535 50 0 EHAARO CC(C)N(C(=O)C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)C(C)C ZINC000012999512 564086304 /nfs/dbraw/zinc/08/63/04/564086304.db2.gz QDPXNZPQSADACL-UHFFFAOYSA-N 1 0 339.483 3.902 50 0 EHAARO Cc1ccc(NC(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)c2cccnc12 ZINC000426430677 564093700 /nfs/dbraw/zinc/09/37/00/564093700.db2.gz JSMOPOWMPITKNC-OAHLLOKOSA-N 1 0 338.455 3.634 50 0 EHAARO CC(C)n1ccnc1CNC(=O)c1ccc2cccc(Cl)c2n1 ZINC000426529510 564093983 /nfs/dbraw/zinc/09/39/83/564093983.db2.gz XETPAKJGXNUHNS-UHFFFAOYSA-N 1 0 328.803 3.596 50 0 EHAARO Cc1ccc(OCC[NH3+])c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000426529460 564093997 /nfs/dbraw/zinc/09/39/97/564093997.db2.gz SEFLQQFQUMFWJY-UHFFFAOYSA-N 1 0 340.467 3.560 50 0 EHAARO CCn1cc(CCCC(=O)NC[C@@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000006782773 564097651 /nfs/dbraw/zinc/09/76/51/564097651.db2.gz LEOMXSQOEKMTCD-SFHVURJKSA-N 1 0 341.499 3.584 50 0 EHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)NCC1CCCC1 ZINC000065547729 564107383 /nfs/dbraw/zinc/10/73/83/564107383.db2.gz QLKLBJAEJJWRQH-MJGOQNOKSA-N 1 0 327.472 3.503 50 0 EHAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)[C@H](C)C2CC2)o1 ZINC000065621218 564108445 /nfs/dbraw/zinc/10/84/45/564108445.db2.gz DIBJKQJSZXCDHD-GFCCVEGCSA-N 1 0 338.411 3.930 50 0 EHAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000170616901 564110049 /nfs/dbraw/zinc/11/00/49/564110049.db2.gz GVTNLEHKSHDTKK-KEYYUXOJSA-N 1 0 326.444 3.572 50 0 EHAARO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccccc1F ZINC000089814271 564114028 /nfs/dbraw/zinc/11/40/28/564114028.db2.gz BWUSZXPCRQBHFR-MRXNPFEDSA-N 1 0 333.451 3.992 50 0 EHAARO CCC1(CO)CC[NH+](Cc2cccc(Br)c2C)CC1 ZINC000089948201 564115724 /nfs/dbraw/zinc/11/57/24/564115724.db2.gz YBBZUKCCSKFJMK-UHFFFAOYSA-N 1 0 326.278 3.742 50 0 EHAARO C/C=C/c1ccc(OCCOCC[NH2+]Cc2ccccc2)c(OC)c1 ZINC000002822692 564116958 /nfs/dbraw/zinc/11/69/58/564116958.db2.gz DLEXUJFWVGKLRM-XVNBXDOJSA-N 1 0 341.451 3.914 50 0 EHAARO C[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000252499623 564119828 /nfs/dbraw/zinc/11/98/28/564119828.db2.gz SCYMDXDFDXDXOC-LLVKDONJSA-N 1 0 334.872 3.581 50 0 EHAARO O=C(CC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)NC1CCCC1 ZINC000065966097 564122662 /nfs/dbraw/zinc/12/26/62/564122662.db2.gz ALKZGYZVKYFOJE-UHFFFAOYSA-N 1 0 339.483 3.796 50 0 EHAARO COc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000195561707 564123807 /nfs/dbraw/zinc/12/38/07/564123807.db2.gz LEMUDHMFGISJTE-RRQGHBQHSA-N 1 0 331.412 3.604 50 0 EHAARO COc1cc(C[NH2+]Cc2ccccc2-n2ccnc2)ccc1SC ZINC000063916286 564133903 /nfs/dbraw/zinc/13/39/03/564133903.db2.gz ZYBGGAXFACELLU-UHFFFAOYSA-N 1 0 339.464 3.893 50 0 EHAARO CCOc1ccccc1OCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000065739609 564134413 /nfs/dbraw/zinc/13/44/13/564134413.db2.gz IBSHYZYWVDSBOI-MRXNPFEDSA-N 1 0 329.440 3.694 50 0 in-vitro EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)[C@H](C)C1 ZINC000078897297 564137366 /nfs/dbraw/zinc/13/73/66/564137366.db2.gz LRNPDSCZSIVMKO-UZLBHIALSA-N 1 0 344.499 3.745 50 0 EHAARO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc21 ZINC000095367588 564139304 /nfs/dbraw/zinc/13/93/04/564139304.db2.gz FCZKWXJVEXADCW-NRFANRHFSA-N 1 0 346.474 3.671 50 0 EHAARO Cc1noc(C)c1N(C)C(=O)Nc1ccc(SCC[NH+](C)C)cc1 ZINC000095414258 564139751 /nfs/dbraw/zinc/13/97/51/564139751.db2.gz OKNAPRRWLKUUEZ-UHFFFAOYSA-N 1 0 348.472 3.613 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(CN2CCc3ccccc32)cc1)c1cnccn1 ZINC000095419853 564139834 /nfs/dbraw/zinc/13/98/34/564139834.db2.gz DIJQTOBWTMMPLT-KRWDZBQOSA-N 1 0 344.462 3.890 50 0 EHAARO COCCOc1ncccc1C[NH2+][C@H]1C[C@@H](C)Sc2ccccc21 ZINC000095420359 564139904 /nfs/dbraw/zinc/13/99/04/564139904.db2.gz UVHDNAWSYJUKJG-PBHICJAKSA-N 1 0 344.480 3.822 50 0 EHAARO COc1cc([C@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)ccc1OCCO ZINC000095420774 564140000 /nfs/dbraw/zinc/14/00/00/564140000.db2.gz DUEFZCIFQLOCAY-KXBFYZLASA-N 1 0 341.451 3.713 50 0 EHAARO CCC[C@@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)OC(C)(C)C ZINC000095428425 564140237 /nfs/dbraw/zinc/14/02/37/564140237.db2.gz YSJOJZBFRNOPSG-AWEZNQCLSA-N 1 0 328.403 3.748 50 0 EHAARO c1cnc(N2CCCCC2)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000095444368 564140538 /nfs/dbraw/zinc/14/05/38/564140538.db2.gz RNWPMAGRAFYJCX-QRVBRYPASA-N 1 0 341.499 3.509 50 0 EHAARO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccccc1)CC1CCC1 ZINC000095954891 564142487 /nfs/dbraw/zinc/14/24/87/564142487.db2.gz GEEPZPGWBFNJLF-WOJBJXKFSA-N 1 0 341.499 3.625 50 0 EHAARO CC[C@H]([NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1)c1ccncc1 ZINC000095968441 564143171 /nfs/dbraw/zinc/14/31/71/564143171.db2.gz ZLNRPPRKVFZPIK-KDOFPFPSSA-N 1 0 347.484 3.645 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1F ZINC000095969242 564143395 /nfs/dbraw/zinc/14/33/95/564143395.db2.gz RCHCBQFOAWWZDK-ZIAGYGMSSA-N 1 0 325.391 3.522 50 0 EHAARO C[C@H]([NH2+]Cc1cc(F)ccc1CS(C)(=O)=O)[C@@H](C)c1ccccc1 ZINC000096479119 564148505 /nfs/dbraw/zinc/14/85/05/564148505.db2.gz BMYRUTKYFILLAD-CABCVRRESA-N 1 0 349.471 3.652 50 0 EHAARO COCc1cc([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000096479047 564148508 /nfs/dbraw/zinc/14/85/08/564148508.db2.gz CKDZOCVNJNIILK-MRXNPFEDSA-N 1 0 346.515 3.899 50 0 EHAARO CN(C)c1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000002615919 564151110 /nfs/dbraw/zinc/15/11/10/564151110.db2.gz WPLCPWVULUKSNO-UHFFFAOYSA-N 1 0 343.515 3.671 50 0 EHAARO COc1ccc(CC[NH2+]Cc2cc(C)c(OC)cc2C)cc1OC ZINC000002734092 564152354 /nfs/dbraw/zinc/15/23/54/564152354.db2.gz MUIGNTQSTYIMMS-UHFFFAOYSA-N 1 0 329.440 3.662 50 0 biogenic EHAARO C[NH+](C)CCNC(=O)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000002751784 564152443 /nfs/dbraw/zinc/15/24/43/564152443.db2.gz VSKLIXPLGYLRMQ-UHFFFAOYSA-N 1 0 348.446 3.710 50 0 EHAARO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)c1 ZINC000057024235 564153207 /nfs/dbraw/zinc/15/32/07/564153207.db2.gz LICCBYYCFOWXFY-PMACEKPBSA-N 1 0 338.451 3.752 50 0 EHAARO CCOc1ccc(C(=O)OCC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000004028473 564160117 /nfs/dbraw/zinc/16/01/17/564160117.db2.gz LMVFSJKEPVNMKH-APWZRJJASA-N 1 0 331.456 3.897 50 0 biogenic EHAARO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCCCCC1 ZINC000008132894 564163055 /nfs/dbraw/zinc/16/30/55/564163055.db2.gz GXDZBXHITUVSJG-KRWDZBQOSA-N 1 0 329.488 3.880 50 0 EHAARO CCC[NH+]1CCC(NCc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000067184614 564165296 /nfs/dbraw/zinc/16/52/96/564165296.db2.gz AYZJWVXTLGCPIO-UHFFFAOYSA-N 1 0 338.455 3.787 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Nc2nc3ccccc3s2)C1 ZINC000040145657 564168370 /nfs/dbraw/zinc/16/83/70/564168370.db2.gz DNVYMSRAOFDPNO-OKILXGFUSA-N 1 0 346.500 3.786 50 0 EHAARO O=C(CCCOc1cccc2ccccc21)NCCNc1cc[nH+]cc1 ZINC000040153035 564168412 /nfs/dbraw/zinc/16/84/12/564168412.db2.gz RPOOSDQAKUOOPO-UHFFFAOYSA-N 1 0 349.434 3.622 50 0 EHAARO C[N@H+](CCCn1c2ccccc2oc1=O)[C@H]1CCCc2ccccc21 ZINC000069350387 564168874 /nfs/dbraw/zinc/16/88/74/564168874.db2.gz FXGVRASFOLEBDC-SFHVURJKSA-N 1 0 336.435 3.994 50 0 EHAARO CN(Cc1nnc(C2CC2)n1C)Cc1ccccc1-c1ccccc1 ZINC000069375651 564169081 /nfs/dbraw/zinc/16/90/81/564169081.db2.gz ICACQHDTFFLOSO-UHFFFAOYSA-N 1 0 332.451 3.992 50 0 EHAARO Cc1cccn2c(=O)cc(C[NH2+][C@H](c3ccc(F)cc3)C(C)C)nc12 ZINC000009749442 564174611 /nfs/dbraw/zinc/17/46/11/564174611.db2.gz LGLANSSOTWCBSB-IBGZPJMESA-N 1 0 339.414 3.629 50 0 EHAARO C[NH+](C)CCN(C(=O)c1ccccc1)c1nc2c(cccc2F)s1 ZINC000010065853 564175030 /nfs/dbraw/zinc/17/50/30/564175030.db2.gz JBQUSAWMEMYLLK-UHFFFAOYSA-N 1 0 343.427 3.644 50 0 EHAARO C[C@@H]([NH2+]C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010383896 564175533 /nfs/dbraw/zinc/17/55/33/564175533.db2.gz BBNIUQHMXMTCJF-SXIIHCIJSA-N 1 0 343.511 3.931 50 0 EHAARO CC(C)c1ccc(C(=O)N2CCC(OC3CC[NH+](C)CC3)CC2)cc1 ZINC000169792730 1032668619 /nfs/dbraw/zinc/66/86/19/1032668619.db2.gz NSKVJOSHZGZQEY-UHFFFAOYSA-N 1 0 344.499 3.525 50 0 EHAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000019635586 1018038606 /nfs/dbraw/zinc/03/86/06/1018038606.db2.gz KGZNAOHDVRKGAE-HXUWFJFHSA-N 1 0 327.516 3.524 50 0 EHAARO CC1=C[C@H](C)O[C@H](c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)C1 ZINC000002496362 1020783010 /nfs/dbraw/zinc/78/30/10/1020783010.db2.gz NREKQQJAYSTICF-DSKINZAPSA-N 1 0 345.483 3.708 50 0 EHAARO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161060123 1022150199 /nfs/dbraw/zinc/15/01/99/1022150199.db2.gz OSISHSKTGPGCBS-KRWDZBQOSA-N 1 0 348.446 3.756 50 0 EHAARO COc1cc(C)ccc1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176318480 1023965083 /nfs/dbraw/zinc/96/50/83/1023965083.db2.gz VCPWXCVFFZHPHF-UHFFFAOYSA-N 1 0 345.487 3.922 50 0 EHAARO C[C@H]1CCc2sc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2C1 ZINC000176919010 1033482053 /nfs/dbraw/zinc/48/20/53/1033482053.db2.gz FHHYKZVBBAUQLA-LBPRGKRZSA-N 1 0 329.469 3.582 50 0 EHAARO Cc1ccc2nc(C3CC3)cc(C(=O)NCC[C@H]3CCC[NH2+]C3)c2c1 ZINC000152808936 1037730335 /nfs/dbraw/zinc/73/03/35/1037730335.db2.gz PLJHSHUNHZHDIA-OAHLLOKOSA-N 1 0 337.467 3.540 50 0 EHAARO Cc1ncsc1C[N@@H+]1CCCCCNC(=O)C[C@H]1c1ccccc1 ZINC000257176974 1038343688 /nfs/dbraw/zinc/34/36/88/1038343688.db2.gz DHHIXBSNNBWYQH-KRWDZBQOSA-N 1 0 343.496 3.685 50 0 EHAARO O=C1NCCCCCC[N@@H+](Cc2ccc(F)cc2F)[C@H]2CCC[C@@H]12 ZINC000257182365 1038432577 /nfs/dbraw/zinc/43/25/77/1038432577.db2.gz PADZPBWZOMJNMS-AEFFLSMTSA-N 1 0 336.426 3.626 50 0 EHAARO c1ccc(-c2nc(CC[C@@H]3CCC[N@@H+]3Cc3ccccn3)no2)cc1 ZINC000675020754 1039890856 /nfs/dbraw/zinc/89/08/56/1039890856.db2.gz UISFHKKLYAWSKN-SFHVURJKSA-N 1 0 334.423 3.729 50 0 EHAARO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cscc1C(F)(F)F ZINC000888100722 1043270472 /nfs/dbraw/zinc/27/04/72/1043270472.db2.gz KOYOKHZMPQTFEN-AWEZNQCLSA-N 1 0 342.386 3.759 50 0 EHAARO COc1ccsc1[C@H](C)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000186113439 1127276197 /nfs/dbraw/zinc/27/61/97/1127276197.db2.gz YVKCOHAXWPSTJQ-AWEZNQCLSA-N 1 0 331.485 3.993 50 0 EHAARO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1C(F)(F)F ZINC000367979152 1127473766 /nfs/dbraw/zinc/47/37/66/1127473766.db2.gz XBDPPAVSVOPXAJ-GFCCVEGCSA-N 1 0 326.362 3.511 50 0 EHAARO Cc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)s1 ZINC000163723033 1125168071 /nfs/dbraw/zinc/16/80/71/1125168071.db2.gz ABPACNRGTOVSBP-CQSZACIVSA-N 1 0 344.484 3.799 50 0 EHAARO Cc1ccc2occ(CN3Cc4ccccc4O[C@@H](C)C3)c(=O)c2c1 ZINC000011999724 1129250608 /nfs/dbraw/zinc/25/06/08/1129250608.db2.gz BDFGDTYUOAPMPK-HNNXBMFYSA-N 1 0 335.403 3.885 50 0 EHAARO OCC[C@@H]1C[N@H+](CCCC2CCCC2)CCN1Cc1cccs1 ZINC000828747117 1131443955 /nfs/dbraw/zinc/44/39/55/1131443955.db2.gz FNKSPMZVRZKNPM-GOSISDBHSA-N 1 0 336.545 3.587 50 0 EHAARO CCOc1ccccc1C[N@@H+]1CC[C@@H](n2c(C)cnc2C2CC2)C1 ZINC000575548847 1131572065 /nfs/dbraw/zinc/57/20/65/1131572065.db2.gz KHLPHTYMZLBJFQ-GOSISDBHSA-N 1 0 325.456 3.915 50 0 EHAARO Cc1c[nH+]c(C)n1C[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000575547728 1131572202 /nfs/dbraw/zinc/57/22/02/1131572202.db2.gz SVWAKLNJVLCCBB-FQEVSTJZSA-N 1 0 339.483 3.761 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000581807642 1132369093 /nfs/dbraw/zinc/36/90/93/1132369093.db2.gz PMQCTYBLUSMHNO-QGZVFWFLSA-N 1 0 337.467 3.930 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000581807640 1132369216 /nfs/dbraw/zinc/36/92/16/1132369216.db2.gz PMQCTYBLUSMHNO-KRWDZBQOSA-N 1 0 337.467 3.930 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)c2ccsc2)CC1 ZINC000581807960 1132370546 /nfs/dbraw/zinc/37/05/46/1132370546.db2.gz IICKYLAOZHGHTO-UHFFFAOYSA-N 1 0 329.469 3.683 50 0 EHAARO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cn1 ZINC000846011521 1136730776 /nfs/dbraw/zinc/73/07/76/1136730776.db2.gz ZPYMTYFDCLEUJA-IBGZPJMESA-N 1 0 347.890 3.775 50 0 EHAARO Cc1cc2c(cc1C)[C@H]([NH2+]Cc1cnc3n1CCCC3)CCCO2 ZINC000585081430 1136966786 /nfs/dbraw/zinc/96/67/86/1136966786.db2.gz GXCGKPDZDHYXRB-GOSISDBHSA-N 1 0 325.456 3.840 50 0 EHAARO C[NH+](C)CCOc1ccc(-c2noc([C@H]3CCC(F)(F)C3)n2)cc1 ZINC000585084031 1136972041 /nfs/dbraw/zinc/97/20/41/1136972041.db2.gz GQUPLPSHDNENMB-ZDUSSCGKSA-N 1 0 337.370 3.580 50 0 EHAARO CC[N@@H+]1CCCC[C@H]1CNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 ZINC000585092638 1136994188 /nfs/dbraw/zinc/99/41/88/1136994188.db2.gz HQWMEICXIJVTKT-ZAMGYDSWSA-N 1 0 349.422 3.898 50 0 EHAARO Cn1ncc2c1nccc2N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000952845408 1137482272 /nfs/dbraw/zinc/48/22/72/1137482272.db2.gz NGNPUSAVBZFCNM-LJQANCHMSA-N 1 0 349.482 3.681 50 0 EHAARO CC(C)c1ccc(O[C@H](C)C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000952845792 1137482393 /nfs/dbraw/zinc/48/23/93/1137482393.db2.gz WXHCLVIPGKNQCW-OAHLLOKOSA-N 1 0 340.458 3.896 50 0 EHAARO CC(C)Oc1ccc2ccccc2c1C[NH2+][C@@H]1CC=CC[C@H]1C(N)=O ZINC000952965485 1137484080 /nfs/dbraw/zinc/48/40/80/1137484080.db2.gz DUJXALVEZWHJCP-IEBWSBKVSA-N 1 0 338.451 3.537 50 0 EHAARO Cc1cc(NC(=O)C[N@@H+](C)C2CCCC2)ccc1NC(=O)C(C)(C)C ZINC000952967375 1137485085 /nfs/dbraw/zinc/48/50/85/1137485085.db2.gz ZRKNZQHJZQDJFU-UHFFFAOYSA-N 1 0 345.487 3.793 50 0 EHAARO CC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000055543730 214328905 /nfs/dbraw/zinc/32/89/05/214328905.db2.gz ZNQBNJUZUBQFRH-UHFFFAOYSA-N 1 0 337.467 3.584 50 0 EHAARO Cc1cc2ccccc2n1CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000047015393 213825773 /nfs/dbraw/zinc/82/57/73/213825773.db2.gz FDSYTDJKWPRHEP-UHFFFAOYSA-N 1 0 341.499 3.578 50 0 EHAARO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)[NH+]2CCN(C)CC2)cc1 ZINC000019864062 202024401 /nfs/dbraw/zinc/02/44/01/202024401.db2.gz CQIUJGWVQLAHIG-JOCHJYFZSA-N 1 0 349.478 3.822 50 0 EHAARO [NH3+]CC[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2F)C1 ZINC000020232546 202037207 /nfs/dbraw/zinc/03/72/07/202037207.db2.gz YCNGQMZONLIEOK-HNNXBMFYSA-N 1 0 326.415 3.694 50 0 EHAARO CCC[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2nc(C)ns2)s1 ZINC000020326494 202038130 /nfs/dbraw/zinc/03/81/30/202038130.db2.gz VDADZDMMNJJJGL-LLVKDONJSA-N 1 0 336.486 3.707 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)c(OC)c1)[NH2+]CC2 ZINC000020506965 202046632 /nfs/dbraw/zinc/04/66/32/202046632.db2.gz FXVLVWKINHGWJV-HXUWFJFHSA-N 1 0 345.414 3.867 50 0 EHAARO c1cc(C[NH+]2CCCCC2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576847 202048451 /nfs/dbraw/zinc/04/84/51/202048451.db2.gz JGDWHMJPANQRCO-UHFFFAOYSA-N 1 0 345.516 3.695 50 0 EHAARO O=C(CCc1cn(C[NH+]2CCCCC2)c2ccccc12)N1CCCC1 ZINC000020624277 202051116 /nfs/dbraw/zinc/05/11/16/202051116.db2.gz DTKBFUBTAONEDX-UHFFFAOYSA-N 1 0 339.483 3.640 50 0 EHAARO CC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170200 202063425 /nfs/dbraw/zinc/06/34/25/202063425.db2.gz KFESWWHZXAIWTH-RTWAWAEBSA-N 1 0 343.442 3.539 50 0 EHAARO COc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccccc1Cl ZINC000022075113 202078464 /nfs/dbraw/zinc/07/84/64/202078464.db2.gz QBZKDPOEUNZEJJ-UHFFFAOYSA-N 1 0 348.874 3.579 50 0 EHAARO CC[NH+](CC)CCNCc1cccc(OC)c1OCc1ccccc1 ZINC000022075172 202079127 /nfs/dbraw/zinc/07/91/27/202079127.db2.gz PJSVCJMNLCOYSS-UHFFFAOYSA-N 1 0 342.483 3.706 50 0 EHAARO C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000023580726 202106183 /nfs/dbraw/zinc/10/61/83/202106183.db2.gz UDFTUGITYZYFBR-LLVKDONJSA-N 1 0 338.238 3.553 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1sccc1-n1cccc1)c1ccsc1 ZINC000025332007 202130181 /nfs/dbraw/zinc/13/01/81/202130181.db2.gz DHJNYNVRNWMUIQ-HNNXBMFYSA-N 1 0 345.493 3.633 50 0 EHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1Cl ZINC000027604161 202158153 /nfs/dbraw/zinc/15/81/53/202158153.db2.gz SBMCAZYHWKEKJW-OAHLLOKOSA-N 1 0 334.872 3.968 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H]3CCCc4ccccc43)nc12 ZINC000027906182 202161596 /nfs/dbraw/zinc/16/15/96/202161596.db2.gz JGKJEMHLTSMUSX-IBGZPJMESA-N 1 0 333.435 3.512 50 0 EHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000028286865 202169186 /nfs/dbraw/zinc/16/91/86/202169186.db2.gz GWRHGPWVGYYTTH-HNNXBMFYSA-N 1 0 334.872 3.968 50 0 EHAARO CC1CC[NH+](Cc2ccc(CNC(=O)NCc3ccco3)cc2)CC1 ZINC000029318486 202184806 /nfs/dbraw/zinc/18/48/06/202184806.db2.gz UMMBZRWSFJDMDT-UHFFFAOYSA-N 1 0 341.455 3.511 50 0 EHAARO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000029483833 202188514 /nfs/dbraw/zinc/18/85/14/202188514.db2.gz OVFATNOPUHOJJZ-QGZVFWFLSA-N 1 0 346.377 3.846 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000032579199 202227833 /nfs/dbraw/zinc/22/78/33/202227833.db2.gz PRXCPUACHOIERJ-UHFFFAOYSA-N 1 0 329.366 3.701 50 0 EHAARO Cc1cccc2c(=O)n(CC[C@H]3CCCC[N@@H+]3C3CCCC3)cnc12 ZINC000032580948 202228047 /nfs/dbraw/zinc/22/80/47/202228047.db2.gz KRNVTGFXKJQBFW-GOSISDBHSA-N 1 0 339.483 3.892 50 0 EHAARO O=C(/C=C/c1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763388 202232952 /nfs/dbraw/zinc/23/29/52/202232952.db2.gz HMUIZXWQXBUOQH-DVQDXYAYSA-N 1 0 326.465 3.715 50 0 EHAARO Cc1nc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)sc1C ZINC000032859842 202238626 /nfs/dbraw/zinc/23/86/26/202238626.db2.gz GKWJFCPPNQEKSK-UHFFFAOYSA-N 1 0 329.469 3.998 50 0 EHAARO O=C(/C=C/c1ccco1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000033028447 202248123 /nfs/dbraw/zinc/24/81/23/202248123.db2.gz KURUYIHIVRALAF-QZEKMECESA-N 1 0 344.842 3.900 50 0 EHAARO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](CCC)CC2CC2)c(OC)c1 ZINC000033502921 202263174 /nfs/dbraw/zinc/26/31/74/202263174.db2.gz MDDUUKFEVYBMLM-WLPBJKJWSA-N 1 0 333.472 3.590 50 0 EHAARO CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C(C)C ZINC000035476068 202304721 /nfs/dbraw/zinc/30/47/21/202304721.db2.gz HNIDSJZQECXTJA-UHFFFAOYSA-N 1 0 328.460 3.808 50 0 EHAARO c1ccc(-c2nc(SC[C@H]3CCC[N@@H+]4CCCC[C@H]34)n[nH]2)cc1 ZINC000036056952 202312465 /nfs/dbraw/zinc/31/24/65/202312465.db2.gz LVRKTHCBVHLACO-HZPDHXFCSA-N 1 0 328.485 3.828 50 0 EHAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccsc1)CC(C)C ZINC000036099215 202314074 /nfs/dbraw/zinc/31/40/74/202314074.db2.gz QVODUNPGIXYFHZ-GOSISDBHSA-N 1 0 333.497 3.954 50 0 EHAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000075584147 202381971 /nfs/dbraw/zinc/38/19/71/202381971.db2.gz MBSZAEJUOJTEJC-MRXNPFEDSA-N 1 0 341.455 3.577 50 0 EHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2-n2ccnc2)cc1 ZINC000078612734 202398476 /nfs/dbraw/zinc/39/84/76/202398476.db2.gz NHPOWUDUCJQNCQ-UHFFFAOYSA-N 1 0 347.397 3.691 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000038541821 202404105 /nfs/dbraw/zinc/40/41/05/202404105.db2.gz RJELLSIEJAJCIK-UHFFFAOYSA-N 1 0 333.435 3.562 50 0 EHAARO Cc1c(-c2cccc(C)c2)nn2c1nc(C)cc2NCCC[NH+](C)C ZINC000040216781 202430039 /nfs/dbraw/zinc/43/00/39/202430039.db2.gz BVIFVOLLIRZOLS-UHFFFAOYSA-N 1 0 337.471 3.685 50 0 EHAARO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000229419902 201041289 /nfs/dbraw/zinc/04/12/89/201041289.db2.gz APIBAPAPFRNTGG-WIYYLYMNSA-N 1 0 346.478 3.797 50 0 EHAARO Cc1nn(C(C)C)c(C)c1[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000095419955 370698596 /nfs/dbraw/zinc/69/85/96/370698596.db2.gz DVRCQEAKCKEWIE-AWEZNQCLSA-N 1 0 325.460 3.622 50 0 EHAARO COc1cc(Cl)cc(C[N@H+](C)CCC[C@@H]2CCCO2)c1OC ZINC000215831496 241150804 /nfs/dbraw/zinc/15/08/04/241150804.db2.gz CCPSZFHLBJGEPQ-OAHLLOKOSA-N 1 0 327.852 3.748 50 0 EHAARO Cc1ccc2nc(C)c(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cc2c1 ZINC000215832960 241151783 /nfs/dbraw/zinc/15/17/83/241151783.db2.gz UQHIBCXQULGCGA-HNNXBMFYSA-N 1 0 337.467 3.550 50 0 EHAARO Cc1cccnc1CN1CC[NH+](Cc2ccccc2-c2ccco2)CC1 ZINC000216087087 241164329 /nfs/dbraw/zinc/16/43/29/241164329.db2.gz IGXNADXSVHHIAB-UHFFFAOYSA-N 1 0 347.462 3.968 50 0 EHAARO O=c1c(-[n+]2ccccc2)cc2[nH]c3ccccc3c2n1-c1ccccc1 ZINC000000318448 201460438 /nfs/dbraw/zinc/46/04/38/201460438.db2.gz JUBAKYUQMLCVDH-UHFFFAOYSA-O 1 0 338.390 3.749 50 0 EHAARO Nc1nc(C[NH+]2CCCCCC2)nc2sc3c(c21)CCCCC3 ZINC000022009926 212270014 /nfs/dbraw/zinc/27/00/14/212270014.db2.gz AXVCOAMHIPUKRH-UHFFFAOYSA-N 1 0 330.501 3.918 50 0 EHAARO O=C(Nc1ncc(-c2ccccc2)s1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229778391 242198337 /nfs/dbraw/zinc/19/83/37/242198337.db2.gz PUFDEOFFLAFSNN-GJZGRUSLSA-N 1 0 342.468 3.558 50 0 EHAARO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)C[C@H]2c2cccs2)cc1 ZINC000230134407 242238046 /nfs/dbraw/zinc/23/80/46/242238046.db2.gz RGUCWJXJVKWPAM-GOEBONIOSA-N 1 0 329.469 3.523 50 0 EHAARO CCCC[NH2+]CCOCCOc1ccc(C)cc1Br ZINC000003461119 201573091 /nfs/dbraw/zinc/57/30/91/201573091.db2.gz PCXONJJXYHRMLO-UHFFFAOYSA-N 1 0 330.266 3.543 50 0 EHAARO C[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000004834196 201621359 /nfs/dbraw/zinc/62/13/59/201621359.db2.gz RLVBTSREZWKFDM-AWEZNQCLSA-N 1 0 332.271 3.998 50 0 EHAARO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCOC2)cc1 ZINC000243885705 243028221 /nfs/dbraw/zinc/02/82/21/243028221.db2.gz ABPVADLNBCVTBC-GOSISDBHSA-N 1 0 326.440 3.519 50 0 EHAARO O=C(NC[C@H]1CCCCC[NH2+]1)c1cc(N2CCCCC2)ccc1Cl ZINC000244763934 243076986 /nfs/dbraw/zinc/07/69/86/243076986.db2.gz OYDBBMILMRHMRS-OAHLLOKOSA-N 1 0 349.906 3.592 50 0 EHAARO CC[NH+]1CCC(NC(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000067356388 202911878 /nfs/dbraw/zinc/91/18/78/202911878.db2.gz NVGVQXPNHOAMFH-UHFFFAOYSA-N 1 0 329.416 3.607 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C2CC2)CC1 ZINC000069517257 203011308 /nfs/dbraw/zinc/01/13/08/203011308.db2.gz ZSMLSQFZQQBCTP-IAGOWNOFSA-N 1 0 332.513 3.635 50 0 EHAARO Cc1ccc(CN(C)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)s1 ZINC000069876761 203060038 /nfs/dbraw/zinc/06/00/38/203060038.db2.gz BCVSPJQGRKNWFV-OAHLLOKOSA-N 1 0 337.514 3.562 50 0 EHAARO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc(OC2CCCC2)c1 ZINC000071028610 203084683 /nfs/dbraw/zinc/08/46/83/203084683.db2.gz GPNSVMXYGVDVNP-UHFFFAOYSA-N 1 0 348.406 3.841 50 0 EHAARO CC(C)[C@@H]1CN(C(=O)C(C)(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071771071 203112006 /nfs/dbraw/zinc/11/20/06/203112006.db2.gz VNAMFUQIMZUMHW-SFHVURJKSA-N 1 0 334.479 3.931 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cnn1C ZINC000071747966 203106308 /nfs/dbraw/zinc/10/63/08/203106308.db2.gz QJKFZMDYQDXMNW-HNNXBMFYSA-N 1 0 333.426 3.852 50 0 EHAARO Fc1cccc([C@@H]2C[N@H+](Cc3ccco3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000071763360 203110434 /nfs/dbraw/zinc/11/04/34/203110434.db2.gz ORUOHLQHBZSJAW-PWIZWCRZSA-N 1 0 344.405 3.620 50 0 EHAARO COc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)NC2CCCCC2)c1 ZINC000071793238 203113515 /nfs/dbraw/zinc/11/35/15/203113515.db2.gz LSBIIZBTLZNOQQ-IBGZPJMESA-N 1 0 330.472 3.671 50 0 EHAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828165 203121753 /nfs/dbraw/zinc/12/17/53/203121753.db2.gz RKGPNZKOQUVODD-FUHWJXTLSA-N 1 0 327.472 3.965 50 0 EHAARO CS(=O)(=O)Cc1ccc(CNc2cc[nH+]c3cc(F)ccc23)cc1 ZINC000071904577 203144548 /nfs/dbraw/zinc/14/45/48/203144548.db2.gz WAXZDVQAMAVNCE-UHFFFAOYSA-N 1 0 344.411 3.531 50 0 EHAARO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)NC1CCCCCC1 ZINC000071873503 203134602 /nfs/dbraw/zinc/13/46/02/203134602.db2.gz OMLZVESWDRZKRD-UHFFFAOYSA-N 1 0 344.499 3.507 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cc1=O ZINC000072143106 203167643 /nfs/dbraw/zinc/16/76/43/203167643.db2.gz DXVLPYIZZMQKIA-MRXNPFEDSA-N 1 0 344.430 3.780 50 0 EHAARO FC(F)(F)c1ccccc1CN1CCC[N@H+](Cc2ccncc2)CC1 ZINC000072166131 203178580 /nfs/dbraw/zinc/17/85/80/203178580.db2.gz JJAIEMNIHTXZFZ-UHFFFAOYSA-N 1 0 349.400 3.808 50 0 EHAARO CC[C@@H]1CN(Cc2cc(F)c(OC)c(Cl)c2)CC[N@@H+]1C(C)C ZINC000072166888 203179618 /nfs/dbraw/zinc/17/96/18/203179618.db2.gz ODPSNGHFZKCCEL-CQSZACIVSA-N 1 0 328.859 3.792 50 0 EHAARO CC[C@H]1CN(Cc2cnc(-c3cccs3)nc2)CC[N@@H+]1C(C)C ZINC000072165185 203179833 /nfs/dbraw/zinc/17/98/33/203179833.db2.gz PZTRRXWCIFOPTP-INIZCTEOSA-N 1 0 330.501 3.510 50 0 EHAARO CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000072286301 203192889 /nfs/dbraw/zinc/19/28/89/203192889.db2.gz GYOKXRYUFMEONL-YOEHRIQHSA-N 1 0 346.500 3.539 50 0 EHAARO NC(=O)c1cccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000073746878 203273309 /nfs/dbraw/zinc/27/33/09/203273309.db2.gz UAEWUXJRFFRAST-UHFFFAOYSA-N 1 0 333.435 3.646 50 0 EHAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000077423766 203387751 /nfs/dbraw/zinc/38/77/51/203387751.db2.gz MOULZAQAXCPWQB-INIZCTEOSA-N 1 0 344.430 3.966 50 0 EHAARO c1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc5nsnc5c4)C3)nc2c1 ZINC000077470864 203390272 /nfs/dbraw/zinc/39/02/72/203390272.db2.gz HXRAOTITVORYNV-AWEZNQCLSA-N 1 0 349.463 3.947 50 0 EHAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000089948818 203605951 /nfs/dbraw/zinc/60/59/51/203605951.db2.gz RHYKOAFQTFDUDX-LRDDRELGSA-N 1 0 346.368 3.581 50 0 EHAARO C[C@@H]1C[C@@H](Nc2cccc(C[S@](C)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000095980665 203783943 /nfs/dbraw/zinc/78/39/43/203783943.db2.gz FEOVLFAYSJYCTK-SRDOKRBCSA-N 1 0 342.508 3.640 50 0 EHAARO CC(C)CO[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000105774894 204155640 /nfs/dbraw/zinc/15/56/40/204155640.db2.gz FHKAAUJLFYETFC-ROUUACIJSA-N 1 0 346.515 3.738 50 0 EHAARO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000042797152 204147098 /nfs/dbraw/zinc/14/70/98/204147098.db2.gz TYSWXOADCNMZPZ-GFCCVEGCSA-N 1 0 349.402 3.711 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000048332823 204346031 /nfs/dbraw/zinc/34/60/31/204346031.db2.gz GXVSHDRZSQBQFE-BETUJISGSA-N 1 0 326.843 3.577 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000237491585 204637199 /nfs/dbraw/zinc/63/71/99/204637199.db2.gz SBFMMXKIVZUZAG-RBDSIQFVSA-N 1 0 341.282 3.683 50 0 EHAARO Cc1ccc(C)c([C@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)c1 ZINC000001744513 205599193 /nfs/dbraw/zinc/59/91/93/205599193.db2.gz MIPJIUWYNBNKNM-JOCHJYFZSA-N 1 0 335.471 3.954 50 0 EHAARO Brc1ccccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000000212510 206209212 /nfs/dbraw/zinc/20/92/12/206209212.db2.gz ABMFWSOWVJVGGG-UHFFFAOYSA-N 1 0 337.305 3.899 50 0 EHAARO COc1ccc2oc(C[NH2+]C[C@@H]3CC(=O)Nc4ccccc43)cc2c1 ZINC000095448672 218393106 /nfs/dbraw/zinc/39/31/06/218393106.db2.gz JJSWEENHGYFFTB-AWEZNQCLSA-N 1 0 336.391 3.657 50 0 EHAARO CSc1cccc(N(C(=O)c2cscn2)C2CC[NH+](C)CC2)c1 ZINC000112247585 220272346 /nfs/dbraw/zinc/27/23/46/220272346.db2.gz HQLDZASZSDSVQI-UHFFFAOYSA-N 1 0 347.509 3.606 50 0 EHAARO C[C@H]1CCC[N@H+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000011852160 207002344 /nfs/dbraw/zinc/00/23/44/207002344.db2.gz BOXSZJJSGYKFPP-GPLHXQHMSA-N 1 0 335.532 3.702 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000012348581 207112344 /nfs/dbraw/zinc/11/23/44/207112344.db2.gz RZTMMQKRJRIMQF-CQSZACIVSA-N 1 0 342.386 3.800 50 0 EHAARO CCc1noc(CC)c1C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000096479213 218855285 /nfs/dbraw/zinc/85/52/85/218855285.db2.gz ORVQPDFEBHJWQB-HNNXBMFYSA-N 1 0 330.428 3.812 50 0 EHAARO C[C@H]1CC([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000097106946 218956445 /nfs/dbraw/zinc/95/64/45/218956445.db2.gz CPFWFKKCCDAZME-GJZGRUSLSA-N 1 0 340.508 3.569 50 0 EHAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2C(F)(F)F)on1 ZINC000066391165 257973340 /nfs/dbraw/zinc/97/33/40/257973340.db2.gz OAEVOKSUQYOEQR-GHMZBOCLSA-N 1 0 341.333 3.680 50 0 EHAARO CC(C)OCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299772271 258084939 /nfs/dbraw/zinc/08/49/39/258084939.db2.gz UPBTZZDLQSOMDO-BBWFWOEESA-N 1 0 327.428 3.688 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000299776462 258086432 /nfs/dbraw/zinc/08/64/32/258086432.db2.gz BVWSSHRFYSLCCG-HNNXBMFYSA-N 1 0 349.434 3.868 50 0 EHAARO Cc1ccccc1-c1cnc(-c2cccnc2)nc1C1CC[NH2+]CC1 ZINC000299780668 258089531 /nfs/dbraw/zinc/08/95/31/258089531.db2.gz AWPMGFPEGNDABM-UHFFFAOYSA-N 1 0 330.435 3.981 50 0 EHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000010111308 135688641 /nfs/dbraw/zinc/68/86/41/135688641.db2.gz AHLOTNXZACEFNR-UHFFFAOYSA-N 1 0 343.515 3.673 50 0 EHAARO CC1(C)C[C@@H](C[NH+]2CCN(C/C=C/c3ccccc3)CC2)CCO1 ZINC000215034542 535363117 /nfs/dbraw/zinc/36/31/17/535363117.db2.gz MZGNZPDCNTYVSW-ZGBFETHSSA-N 1 0 328.500 3.523 50 0 EHAARO C[NH+]1CCN(c2c3ccccc3nc3c2CCc2ccccc2-3)CC1 ZINC000000088000 563221419 /nfs/dbraw/zinc/22/14/19/563221419.db2.gz PFBWYXUNYFYQKU-UHFFFAOYSA-N 1 0 329.447 3.752 50 0 EHAARO CC(=O)c1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000000280547 563271893 /nfs/dbraw/zinc/27/18/93/563271893.db2.gz DOTCRSAUHRJPMY-UHFFFAOYSA-N 1 0 338.495 3.836 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000004087671 563493704 /nfs/dbraw/zinc/49/37/04/563493704.db2.gz SHPZMOIUAMHTAJ-UHFFFAOYSA-N 1 0 340.423 3.526 50 0 biogenic EHAARO CC(=O)c1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2)C(C)C)cc1 ZINC000005498149 563535297 /nfs/dbraw/zinc/53/52/97/563535297.db2.gz AMABLECQHVLNJT-HXUWFJFHSA-N 1 0 341.451 3.540 50 0 EHAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000006747466 563584994 /nfs/dbraw/zinc/58/49/94/563584994.db2.gz GAASQDHCSIZDDV-CQSZACIVSA-N 1 0 349.858 3.706 50 0 EHAARO CCOc1ccc([C@H]([NH3+])c2ccc(OC)c(OC)c2)cc1OCC ZINC000008324972 563626553 /nfs/dbraw/zinc/62/65/53/563626553.db2.gz KYLPIAGORUTBGX-LJQANCHMSA-N 1 0 331.412 3.549 50 0 EHAARO COc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccccc2OC)C1 ZINC000011816407 563650763 /nfs/dbraw/zinc/65/07/63/563650763.db2.gz GGOPXJDIHLBUFA-QGZVFWFLSA-N 1 0 339.435 3.799 50 0 EHAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)c1 ZINC000011844475 563651772 /nfs/dbraw/zinc/65/17/72/563651772.db2.gz FTGBRKBEXANCDO-SFHVURJKSA-N 1 0 342.483 3.504 50 0 EHAARO COc1ccc(CC2(CO)CC[NH+](C/C=C/c3ccco3)CC2)cc1 ZINC000011996879 563652269 /nfs/dbraw/zinc/65/22/69/563652269.db2.gz NVHWMZZWEODRFQ-DUXPYHPUSA-N 1 0 341.451 3.619 50 0 EHAARO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CCCCC3)C2)c(OC)c1 ZINC000012373099 563658788 /nfs/dbraw/zinc/65/87/88/563658788.db2.gz JIJVKJSSDXXYSA-HNNXBMFYSA-N 1 0 331.456 3.931 50 0 EHAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000013327650 563695712 /nfs/dbraw/zinc/69/57/12/563695712.db2.gz PKRPMDAJVZZTDG-INIZCTEOSA-N 1 0 346.515 3.742 50 0 EHAARO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000014931384 563767292 /nfs/dbraw/zinc/76/72/92/563767292.db2.gz KVOKROVGJVMPPN-MRXNPFEDSA-N 1 0 342.508 3.854 50 0 EHAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000015078028 563776774 /nfs/dbraw/zinc/77/67/74/563776774.db2.gz LBTXHJRBGZRJSP-QGZVFWFLSA-N 1 0 325.412 3.687 50 0 EHAARO CCOc1cccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000015860255 563796959 /nfs/dbraw/zinc/79/69/59/563796959.db2.gz CPWRJJOCLKRRCB-GOSISDBHSA-N 1 0 342.439 3.554 50 0 EHAARO CC(C)CC[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019227919 563855219 /nfs/dbraw/zinc/85/52/19/563855219.db2.gz MEQHQUIVMDADGK-HXUWFJFHSA-N 1 0 349.950 3.973 50 0 EHAARO C[C@H]1CN(CC(=O)NCCCOC2CCCCC2)[C@@H]1c1ccccc1 ZINC000072308831 563916478 /nfs/dbraw/zinc/91/64/78/563916478.db2.gz QNXPTGMXFXNZJQ-UWJYYQICSA-N 1 0 344.499 3.535 50 0 EHAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000002828211 563917990 /nfs/dbraw/zinc/91/79/90/563917990.db2.gz YAXZKUPYFIQZTB-UHFFFAOYSA-N 1 0 340.467 3.849 50 0 EHAARO COc1cccc(-c2nc3cc(F)ccc3[nH]2)c1OCCC[NH+](C)C ZINC000055073744 563933567 /nfs/dbraw/zinc/93/35/67/563933567.db2.gz HLQRPUIIZOJGDK-UHFFFAOYSA-N 1 0 343.402 3.708 50 0 EHAARO c1c(-c2cccnc2)nnn1C1CC[NH+](C2CCCCCC2)CC1 ZINC000055198993 563934049 /nfs/dbraw/zinc/93/40/49/563934049.db2.gz GYTCLDBUIQIQJM-UHFFFAOYSA-N 1 0 325.460 3.700 50 0 EHAARO COCC[N@H+](Cc1cccn1-c1ccccn1)Cc1ccc(C)cc1 ZINC000055359534 563934536 /nfs/dbraw/zinc/93/45/36/563934536.db2.gz HINIQYWLNDTKHE-UHFFFAOYSA-N 1 0 335.451 3.829 50 0 EHAARO CCN(Cc1ccncc1)C(=O)c1ccc([C@@H](C)[NH+]2CCCCC2)o1 ZINC000055359131 563934542 /nfs/dbraw/zinc/93/45/42/563934542.db2.gz VVJLLPFIAADCLV-MRXNPFEDSA-N 1 0 341.455 3.884 50 0 EHAARO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1Cc2ccccc2C1 ZINC000055627280 563934983 /nfs/dbraw/zinc/93/49/83/563934983.db2.gz HKMLKNZKQYEVDX-UHFFFAOYSA-N 1 0 348.490 3.912 50 0 EHAARO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1nccs1 ZINC000057981121 563936176 /nfs/dbraw/zinc/93/61/76/563936176.db2.gz UMIDFSNCZMHVBP-UHFFFAOYSA-N 1 0 344.484 3.841 50 0 EHAARO CCCCCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C(C)C ZINC000058017536 563936744 /nfs/dbraw/zinc/93/67/44/563936744.db2.gz YIUIVEDYMMNKKP-HNNXBMFYSA-N 1 0 325.522 3.961 50 0 EHAARO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000058160698 563938300 /nfs/dbraw/zinc/93/83/00/563938300.db2.gz IVQCIVKWIZZKSC-GFCCVEGCSA-N 1 0 330.815 3.659 50 0 EHAARO C[NH+]1CCC(CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000058163720 563938638 /nfs/dbraw/zinc/93/86/38/563938638.db2.gz CXJUIZXRNJMLEK-UHFFFAOYSA-N 1 0 338.451 3.941 50 0 EHAARO Cc1cccc(N2CC[NH+](CCCc3nc4ccccc4o3)CC2)c1 ZINC000058194461 563939452 /nfs/dbraw/zinc/93/94/52/563939452.db2.gz DCIIVSCIZGFXCU-UHFFFAOYSA-N 1 0 335.451 3.891 50 0 EHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@@H]1c1ccccn1 ZINC000058266760 563941256 /nfs/dbraw/zinc/94/12/56/563941256.db2.gz SDEQUNCJAYAZQK-HXUWFJFHSA-N 1 0 335.451 3.655 50 0 EHAARO Cc1sc(-n2cccc2)c(C(=O)NCC2([NH+](C)C)CCCC2)c1C ZINC000058406799 563945058 /nfs/dbraw/zinc/94/50/58/563945058.db2.gz BGLFSXKOBADUQC-UHFFFAOYSA-N 1 0 345.512 3.760 50 0 EHAARO CCOc1ccccc1-c1nnc(SC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000058425655 563946030 /nfs/dbraw/zinc/94/60/30/563946030.db2.gz BFJMFOMDOMYJSC-CYBMUJFWSA-N 1 0 333.457 3.569 50 0 EHAARO O=C(NCc1cc2ccccc2[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000058903706 563947375 /nfs/dbraw/zinc/94/73/75/563947375.db2.gz FTDOBLIEYFHIAU-UHFFFAOYSA-N 1 0 347.462 3.696 50 0 EHAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)o1 ZINC000096423087 563951777 /nfs/dbraw/zinc/95/17/77/563951777.db2.gz NPLDBIMXCMZUEE-YOEHRIQHSA-N 1 0 332.469 3.771 50 0 EHAARO Cc1c(COC(C)C)cccc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000096435332 563952481 /nfs/dbraw/zinc/95/24/81/563952481.db2.gz SIWKZGSKGRHRER-UHFFFAOYSA-N 1 0 345.487 3.668 50 0 EHAARO C[C@@H](CNC(=O)Nc1ccccc1CC(F)(F)F)C[NH+]1CCCC1 ZINC000096462423 563954177 /nfs/dbraw/zinc/95/41/77/563954177.db2.gz VQLFIQYZCJYDMG-ZDUSSCGKSA-N 1 0 343.393 3.645 50 0 EHAARO Cc1ccc2cc(C)c(N3CC[NH+](C4CCSCC4)CC3)nc2c1 ZINC000065372456 563958640 /nfs/dbraw/zinc/95/86/40/563958640.db2.gz IARNTPGDGZSFGJ-UHFFFAOYSA-N 1 0 341.524 3.869 50 0 EHAARO Cc1cc(C)n([C@H](C)C[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)n1 ZINC000065386082 563959305 /nfs/dbraw/zinc/95/93/05/563959305.db2.gz XSCPLNHAXXKMOF-QGZVFWFLSA-N 1 0 342.487 3.721 50 0 EHAARO CCOc1cccc(OCC[N@@H+]2CCC[C@@H]2c2c(C)noc2C)c1 ZINC000065404614 563960092 /nfs/dbraw/zinc/96/00/92/563960092.db2.gz YVFHJJPMFGMTDQ-GOSISDBHSA-N 1 0 330.428 3.906 50 0 EHAARO CCCOC(=O)N1CC[C@@]2(C1)CCC[N@H+](C/C=C/c1ccco1)C2 ZINC000067473418 563962278 /nfs/dbraw/zinc/96/22/78/563962278.db2.gz SPWMGUAFUQLYSA-NAASZUNDSA-N 1 0 332.444 3.627 50 0 EHAARO Cc1cc(C[NH+]2CCCCC2)cc(C)c1Oc1ccc(C(N)=O)cn1 ZINC000067588051 563962360 /nfs/dbraw/zinc/96/23/60/563962360.db2.gz MWISJCWBEJBKGI-UHFFFAOYSA-N 1 0 339.439 3.576 50 0 EHAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C[C@@H]1CCCO1)CCO2 ZINC000067819934 563962824 /nfs/dbraw/zinc/96/28/24/563962824.db2.gz NUEIBZMZPLUHCP-SFHVURJKSA-N 1 0 339.435 3.741 50 0 EHAARO C[C@@H](CNC(=O)CCc1ccc(Cl)s1)C[NH+]1CCCCC1 ZINC000060395855 563963353 /nfs/dbraw/zinc/96/33/53/563963353.db2.gz DRMRUEPTQJZPBN-ZDUSSCGKSA-N 1 0 328.909 3.572 50 0 EHAARO Cc1cc(C[C@@H](C)[NH2+]Cc2cnc(-c3ccccc3C)s2)[nH]n1 ZINC000067871413 563962917 /nfs/dbraw/zinc/96/29/17/563962917.db2.gz SFGHNNDNTULFMH-CYBMUJFWSA-N 1 0 326.469 3.871 50 0 EHAARO COc1ncccc1C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067884793 563962999 /nfs/dbraw/zinc/96/29/99/563962999.db2.gz OGQREFCUYIEPHS-LEWJYISDSA-N 1 0 348.446 3.594 50 0 EHAARO [NH3+]C[C@H]1Cc2c(c(-c3ccc(-c4nc5ccccc5[nH]4)o3)ccc2F)O1 ZINC000067909826 563963109 /nfs/dbraw/zinc/96/31/09/563963109.db2.gz VSMDQVCFULCORY-LLVKDONJSA-N 1 0 349.365 3.891 50 0 EHAARO CC(=O)Nc1ccc(C[N@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc1 ZINC000067965182 563963162 /nfs/dbraw/zinc/96/31/62/563963162.db2.gz OJCXELRGOYBURZ-UHFFFAOYSA-N 1 0 325.387 3.897 50 0 EHAARO C[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)[NH+]1CCCC1 ZINC000046408537 563966314 /nfs/dbraw/zinc/96/63/14/563966314.db2.gz ATDOAQGVFBXRNC-HNNXBMFYSA-N 1 0 336.435 3.525 50 0 EHAARO Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000097103601 563967591 /nfs/dbraw/zinc/96/75/91/563967591.db2.gz HTPRQJIGSKOPII-TZMCWYRMSA-N 1 0 325.334 3.823 50 0 EHAARO CCc1n[nH]c(=O)c(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)c1CC ZINC000097139551 563968179 /nfs/dbraw/zinc/96/81/79/563968179.db2.gz RDZGLHRBZGWHJV-UHFFFAOYSA-N 1 0 345.874 3.584 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)o1 ZINC000097159147 563968317 /nfs/dbraw/zinc/96/83/17/563968317.db2.gz HOSSXRVOEUQOJY-UHFFFAOYSA-N 1 0 347.422 3.513 50 0 EHAARO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(Br)n1 ZINC000585134643 563971852 /nfs/dbraw/zinc/97/18/52/563971852.db2.gz DISLHERCYFVCFQ-DZGCQCFKSA-N 1 0 349.272 3.661 50 0 EHAARO CCc1nc(C)sc1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(CC=C(C)C)C2 ZINC000091390736 563975342 /nfs/dbraw/zinc/97/53/42/563975342.db2.gz USCDOZHYZNHJED-DLBZAZTESA-N 1 0 333.545 3.876 50 0 EHAARO CC[C@H]1CN(C(=O)c2cc3cccc(Cl)c3n2C)CC[N@@H+]1C(C)C ZINC000091416809 563975387 /nfs/dbraw/zinc/97/53/87/563975387.db2.gz GKSWCELAEIVZQK-HNNXBMFYSA-N 1 0 347.890 3.777 50 0 EHAARO O=c1cc(C[N@@H+](Cc2ccc(O)cc2)C2CC2)[nH]c2c(F)cccc12 ZINC000091846464 563975773 /nfs/dbraw/zinc/97/57/73/563975773.db2.gz UXSDZQOBFWPJNK-UHFFFAOYSA-N 1 0 338.382 3.950 50 0 EHAARO O=c1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)[nH]c2ccc(Cl)cc12 ZINC000092099282 563976064 /nfs/dbraw/zinc/97/60/64/563976064.db2.gz FFUTXGUPGVWUJR-UHFFFAOYSA-N 1 0 342.830 3.697 50 0 EHAARO CCCc1nc(C)c(CNC(=O)CC2CC[NH+](C(C)C)CC2)s1 ZINC000095370575 563976787 /nfs/dbraw/zinc/97/67/87/563976787.db2.gz FURDGHHLGGHFNK-UHFFFAOYSA-N 1 0 337.533 3.531 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000095369824 563976839 /nfs/dbraw/zinc/97/68/39/563976839.db2.gz FRHXFZCUTXIUKU-CQSZACIVSA-N 1 0 346.368 3.725 50 0 EHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCc1cccc(Cl)c1Cl ZINC000095373731 563976888 /nfs/dbraw/zinc/97/68/88/563976888.db2.gz YWJBBDKHGBAHQY-CQSZACIVSA-N 1 0 329.271 3.527 50 0 EHAARO CCN(CC[NH+](C)C)C(=O)Nc1cc(-c2ccccc2)ccc1OC ZINC000095526991 563977484 /nfs/dbraw/zinc/97/74/84/563977484.db2.gz CSNWNKJAYOFBHC-UHFFFAOYSA-N 1 0 341.455 3.778 50 0 EHAARO Cc1ccccc1COc1ccccc1CN1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097294925 563981485 /nfs/dbraw/zinc/98/14/85/563981485.db2.gz MJGYLAUARMNQGG-NQIIRXRSSA-N 1 0 336.479 3.758 50 0 EHAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)c(C)c2c1 ZINC000097475580 563981598 /nfs/dbraw/zinc/98/15/98/563981598.db2.gz YORXTDFBTRVSDO-OAHLLOKOSA-N 1 0 336.439 3.655 50 0 EHAARO FC(F)(F)Oc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000097594748 563981701 /nfs/dbraw/zinc/98/17/01/563981701.db2.gz DABQLGQCONRDFN-UHFFFAOYSA-N 1 0 329.362 3.978 50 0 EHAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c(-n2cccn2)c1 ZINC000097743553 563981837 /nfs/dbraw/zinc/98/18/37/563981837.db2.gz PIDGIBIVRQLCNX-GOSISDBHSA-N 1 0 347.466 3.659 50 0 EHAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)Nc1cccc(SC(F)F)c1 ZINC000072301251 563981860 /nfs/dbraw/zinc/98/18/60/563981860.db2.gz KZDGEPNBELURIK-ZDUSSCGKSA-N 1 0 343.443 3.949 50 0 EHAARO CC[NH+](CC)CCc1ccc(NC(=O)CCc2cncc(F)c2)cc1 ZINC000252501908 563997848 /nfs/dbraw/zinc/99/78/48/563997848.db2.gz ULGDLAHCQGTKPZ-UHFFFAOYSA-N 1 0 343.446 3.676 50 0 EHAARO CCc1c(Cl)nc(-c2ccccc2)nc1N1CC[NH+](CC)CC1 ZINC000078876077 564000899 /nfs/dbraw/zinc/00/08/99/564000899.db2.gz CLZSITFQJARJHE-UHFFFAOYSA-N 1 0 330.863 3.501 50 0 EHAARO COc1cccc(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000273442681 564007777 /nfs/dbraw/zinc/00/77/77/564007777.db2.gz NQAWWRVIFBTFMA-ZWKOTPCHSA-N 1 0 330.403 3.581 50 0 EHAARO CCOc1ccc(C(=O)OCC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000000526702 564021244 /nfs/dbraw/zinc/02/12/44/564021244.db2.gz LMVFSJKEPVNMKH-LPHOPBHVSA-N 1 0 331.456 3.897 50 0 biogenic EHAARO C[C@@H](C[NH2+]C1CCC(C(=O)N2CCSCC2)CC1)c1ccccc1 ZINC000225583376 564023514 /nfs/dbraw/zinc/02/35/14/564023514.db2.gz JRWKUXRGVCHJCH-IVMQYODDSA-N 1 0 346.540 3.514 50 0 EHAARO COc1ccc(CNC(=O)C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000005744615 564024961 /nfs/dbraw/zinc/02/49/61/564024961.db2.gz BAGGQPJETIYRHN-UHFFFAOYSA-N 1 0 344.499 3.604 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccco2)[C@H]1c1cccs1 ZINC000110619653 564025803 /nfs/dbraw/zinc/02/58/03/564025803.db2.gz OLGQEWYLKUJKMS-BLZHTEAHSA-N 1 0 330.453 3.554 50 0 EHAARO CCS[C@H]1CCCC[N@@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000106852893 564026690 /nfs/dbraw/zinc/02/66/90/564026690.db2.gz CFBXXFHLHSCIDB-HIFRSBDPSA-N 1 0 332.473 3.800 50 0 EHAARO CC(C)CC[NH+]1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 ZINC000048302944 564030863 /nfs/dbraw/zinc/03/08/63/564030863.db2.gz SOFKCUYPLKMMSD-UHFFFAOYSA-N 1 0 348.878 3.554 50 0 EHAARO CCCOc1ccccc1NC(=O)NCc1ccccc1C[NH+](C)C ZINC000048368075 564031622 /nfs/dbraw/zinc/03/16/22/564031622.db2.gz FMXCBPYTMJCLMF-UHFFFAOYSA-N 1 0 341.455 3.859 50 0 EHAARO COCCNC(=O)C[NH2+][C@H](c1ccc(C2CCCCC2)cc1)C(C)C ZINC000049581071 564032845 /nfs/dbraw/zinc/03/28/45/564032845.db2.gz MAGLSKOMRNQVHZ-NRFANRHFSA-N 1 0 346.515 3.784 50 0 EHAARO CC(C)c1nccn1CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000114170858 564032940 /nfs/dbraw/zinc/03/29/40/564032940.db2.gz PGDCGRGFRSVBPP-UHFFFAOYSA-N 1 0 329.400 3.543 50 0 EHAARO CCN(CC[NH+](C)C)C(=O)c1ccc(-c2cc(F)ccc2OC)cc1 ZINC000426628724 564051318 /nfs/dbraw/zinc/05/13/18/564051318.db2.gz GIQPFKKQCLBJMX-UHFFFAOYSA-N 1 0 344.430 3.525 50 0 EHAARO CCCCN(C)c1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000241564192 564052018 /nfs/dbraw/zinc/05/20/18/564052018.db2.gz OSBNNCCSBRJLQU-YLJYHZDGSA-N 1 0 343.515 3.622 50 0 EHAARO O=C(CC[N@@H+]1CCCCC[C@H]1c1ccco1)NCc1cccs1 ZINC000244795855 564052258 /nfs/dbraw/zinc/05/22/58/564052258.db2.gz RORRMDCYGWMBQX-INIZCTEOSA-N 1 0 332.469 3.965 50 0 EHAARO CN(Cc1cc(C2CC2)n[nH]1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000244811461 564052344 /nfs/dbraw/zinc/05/23/44/564052344.db2.gz SDEJPNYIXBOPHT-GOSISDBHSA-N 1 0 338.499 3.631 50 0 EHAARO Cc1ncsc1CC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182855675 564056368 /nfs/dbraw/zinc/05/63/68/564056368.db2.gz MQCFISJGZKJLKW-GFCCVEGCSA-N 1 0 344.406 3.546 50 0 EHAARO C[NH+]1CCC(NC(=S)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000063143829 564056615 /nfs/dbraw/zinc/05/66/15/564056615.db2.gz AIXOYIHTHHIJSK-UHFFFAOYSA-N 1 0 339.508 3.662 50 0 EHAARO CC(=O)c1ccc(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000012479608 564058003 /nfs/dbraw/zinc/05/80/03/564058003.db2.gz SGZGHZXSYDMUOA-FQEVSTJZSA-N 1 0 342.483 3.664 50 0 EHAARO CC(C)Cc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000084575173 564068768 /nfs/dbraw/zinc/06/87/68/564068768.db2.gz JKRZUAYCDLUHKH-FQEVSTJZSA-N 1 0 330.516 3.522 50 0 EHAARO C[S@@](=O)c1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000085307295 564072477 /nfs/dbraw/zinc/07/24/77/564072477.db2.gz UFITUWFARCFVLL-DEOSSOPVSA-N 1 0 348.556 3.558 50 0 EHAARO Cc1ccc(-c2ncc(C[NH2+][C@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000085333751 564072700 /nfs/dbraw/zinc/07/27/00/564072700.db2.gz YYJRGZPWUNFCBD-OALUTQOASA-N 1 0 336.460 3.866 50 0 EHAARO Cc1ccccc1NC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000085473283 564073509 /nfs/dbraw/zinc/07/35/09/564073509.db2.gz DIWYIBYFHWZUFE-QGZVFWFLSA-N 1 0 347.528 3.820 50 0 EHAARO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1nnc(C)o1 ZINC000185924025 564075108 /nfs/dbraw/zinc/07/51/08/564075108.db2.gz ZCLHGWLASBICJZ-ZDUSSCGKSA-N 1 0 338.249 3.594 50 0 EHAARO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NCc3noc(C4CC4)n3)c2C1 ZINC000086205654 564075333 /nfs/dbraw/zinc/07/53/33/564075333.db2.gz TVMGVVOVCWSNKJ-ZDUSSCGKSA-N 1 0 326.444 3.919 50 0 EHAARO Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C ZINC000006174239 564077282 /nfs/dbraw/zinc/07/72/82/564077282.db2.gz VYJQLSJPVDZWST-UHFFFAOYSA-N 1 0 348.450 3.730 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cc1F ZINC000121360305 564078843 /nfs/dbraw/zinc/07/88/43/564078843.db2.gz FWQLGLGEIMBASE-CQSZACIVSA-N 1 0 329.419 3.549 50 0 EHAARO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccccc1-n1cccn1 ZINC000075094259 564079922 /nfs/dbraw/zinc/07/99/22/564079922.db2.gz SBRJPLSQVBOHKZ-MRXNPFEDSA-N 1 0 331.423 3.573 50 0 EHAARO Cc1ccc([C@H]2C[C@H]2C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000075108247 564080212 /nfs/dbraw/zinc/08/02/12/564080212.db2.gz NWSTVOAQXXPSFX-JKSUJKDBSA-N 1 0 348.537 3.812 50 0 EHAARO Cc1noc(C)c1C(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575621659 564083920 /nfs/dbraw/zinc/08/39/20/564083920.db2.gz QKFZRAIKJICJRI-OAHLLOKOSA-N 1 0 343.452 3.539 50 0 EHAARO O=C(CS[C@@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000078979162 564086220 /nfs/dbraw/zinc/08/62/20/564086220.db2.gz DZCDFTJOXTWOFD-LJQANCHMSA-N 1 0 344.524 3.540 50 0 EHAARO Cc1sc2cc(C(=O)NCc3ccco3)[nH]c2c1C[NH+]1CCCC1 ZINC000075487363 564086667 /nfs/dbraw/zinc/08/66/67/564086667.db2.gz MFTLFXCHWKTDHB-UHFFFAOYSA-N 1 0 343.452 3.657 50 0 EHAARO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000123732260 564086758 /nfs/dbraw/zinc/08/67/58/564086758.db2.gz MJFWOZWGOIXWDB-WBVHZDCISA-N 1 0 341.455 3.581 50 0 EHAARO CS[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000089314108 564089625 /nfs/dbraw/zinc/08/96/25/564089625.db2.gz NGXHLYOKGBQDHJ-QWHCGFSZSA-N 1 0 348.299 3.503 50 0 EHAARO Cc1cccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)c1 ZINC000065255101 564103476 /nfs/dbraw/zinc/10/34/76/564103476.db2.gz IPSQKRXOAICUIY-UHFFFAOYSA-N 1 0 348.450 3.693 50 0 EHAARO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000170048982 564105050 /nfs/dbraw/zinc/10/50/50/564105050.db2.gz RTXWLOMAYYPZNO-UONOGXRCSA-N 1 0 346.377 3.501 50 0 EHAARO CCCCNC(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065604997 564108116 /nfs/dbraw/zinc/10/81/16/564108116.db2.gz UAFXOAPLKKRWHD-LJQANCHMSA-N 1 0 331.504 3.873 50 0 EHAARO S=C(NC1CCCCC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000065706272 564109572 /nfs/dbraw/zinc/10/95/72/564109572.db2.gz FNIDTBXLFFWYAH-UHFFFAOYSA-N 1 0 337.577 3.828 50 0 EHAARO Cc1nccn1CCCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089735632 564113436 /nfs/dbraw/zinc/11/34/36/564113436.db2.gz BUHSABMWNMCVND-UHFFFAOYSA-N 1 0 328.847 3.963 50 0 EHAARO Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000089768305 564113602 /nfs/dbraw/zinc/11/36/02/564113602.db2.gz IZQCLHKYXGWHJL-NSHDSACASA-N 1 0 327.325 3.708 50 0 EHAARO O=C(CCCc1cccs1)OC[C@@H]1CCC[N@@H+]1Cc1ccco1 ZINC000089797759 564113890 /nfs/dbraw/zinc/11/38/90/564113890.db2.gz GJACCNNINNKALH-HNNXBMFYSA-N 1 0 333.453 3.872 50 0 EHAARO c1cc(C[NH2+]C[C@@H]2COc3ccccc3C2)n(Cc2ccccc2)c1 ZINC000089841089 564114189 /nfs/dbraw/zinc/11/41/89/564114189.db2.gz KHRUNNQTJVKFJG-LJQANCHMSA-N 1 0 332.447 3.877 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(Cl)c1 ZINC000089941167 564115536 /nfs/dbraw/zinc/11/55/36/564115536.db2.gz XZQXVWMSMMXEEK-GJZGRUSLSA-N 1 0 345.874 3.811 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](CC)C1 ZINC000089948847 564115783 /nfs/dbraw/zinc/11/57/83/564115783.db2.gz ZZOTZXQRPSQNCS-CRAIPNDOSA-N 1 0 328.456 3.868 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)[C@@H](CC)C1 ZINC000089949116 564115786 /nfs/dbraw/zinc/11/57/86/564115786.db2.gz LZHRHTVKLWXKEF-DZGCQCFKSA-N 1 0 337.533 3.567 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000089948997 564115812 /nfs/dbraw/zinc/11/58/12/564115812.db2.gz FKNVUTIBYRSGPW-UTKZUKDTSA-N 1 0 336.479 3.967 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2SC(C)C)C1 ZINC000089960854 564115932 /nfs/dbraw/zinc/11/59/32/564115932.db2.gz SOSRGLVZICSBNK-OAHLLOKOSA-N 1 0 335.517 3.993 50 0 EHAARO CCO[C@@H]1CCC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000089986618 564115989 /nfs/dbraw/zinc/11/59/89/564115989.db2.gz PYHZZVIBPUSKOU-GOSISDBHSA-N 1 0 332.488 3.831 50 0 EHAARO CC(C)Oc1ccc([C@H](CC(=O)NCCC[NH+](C)C)C(C)C)cc1 ZINC000002091721 564117523 /nfs/dbraw/zinc/11/75/23/564117523.db2.gz IEUNAJQJGWZZRY-LJQANCHMSA-N 1 0 334.504 3.671 50 0 biogenic EHAARO Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1F ZINC000237420606 564117717 /nfs/dbraw/zinc/11/77/17/564117717.db2.gz VCMZOZSEJHVTOC-CZUORRHYSA-N 1 0 344.405 3.892 50 0 EHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000237487578 564117725 /nfs/dbraw/zinc/11/77/25/564117725.db2.gz DOGVGDJGRWJSAP-AAEUAGOBSA-N 1 0 329.271 3.654 50 0 EHAARO CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1COc1ccccc1Cl ZINC000170673856 564121354 /nfs/dbraw/zinc/12/13/54/564121354.db2.gz DAMCIRWFIOTRJS-GOSISDBHSA-N 1 0 346.858 3.519 50 0 EHAARO C[C@H](NC(=O)[C@](C)([NH3+])C1CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000170681257 564121424 /nfs/dbraw/zinc/12/14/24/564121424.db2.gz SSKFGYRUBWWYTQ-RNODOKPDSA-N 1 0 342.414 3.923 50 0 EHAARO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000194907590 564122556 /nfs/dbraw/zinc/12/25/56/564122556.db2.gz MAZFNPFBKIDMEF-GFCCVEGCSA-N 1 0 348.830 3.734 50 0 EHAARO O[C@@H](CN[C@H](c1cccs1)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000195049627 564122697 /nfs/dbraw/zinc/12/26/97/564122697.db2.gz SYBFBLHORBUWHD-TVQRCGJNSA-N 1 0 339.873 3.599 50 0 EHAARO COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000195556482 564123809 /nfs/dbraw/zinc/12/38/09/564123809.db2.gz PQWPJGGHDZXASJ-LUQKVYGDSA-N 1 0 338.451 3.565 50 0 EHAARO Cc1ccccc1[N+]1=C2CCCCCN2[C@](O)(c2cccs2)C1 ZINC000002974641 564125241 /nfs/dbraw/zinc/12/52/41/564125241.db2.gz ZTXBRRGWGPGUIQ-LJQANCHMSA-N 1 0 327.473 3.707 50 0 EHAARO Cc1[nH]nc(C(F)F)c1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000253418603 564130918 /nfs/dbraw/zinc/13/09/18/564130918.db2.gz XPBSDKRARGPLKH-AWEZNQCLSA-N 1 0 348.397 3.506 50 0 EHAARO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000064034298 564133907 /nfs/dbraw/zinc/13/39/07/564133907.db2.gz FEUXMFWOKQLQBR-UHFFFAOYSA-N 1 0 330.472 3.910 50 0 EHAARO Cc1nc(-c2cccnc2)nc(NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000078804477 564137259 /nfs/dbraw/zinc/13/72/59/564137259.db2.gz FECVUQCNMLROTQ-LJQANCHMSA-N 1 0 347.466 3.870 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc(OC)c1OC ZINC000093453535 564137611 /nfs/dbraw/zinc/13/76/11/564137611.db2.gz MAPXNEAETHFXSU-KRWDZBQOSA-N 1 0 342.439 3.753 50 0 EHAARO Cc1ccc([C@H](C)[NH2+][C@H](CC(C)C)C(C)(C)C)cc1S(N)(=O)=O ZINC000095462758 564140898 /nfs/dbraw/zinc/14/08/98/564140898.db2.gz CDFDYKQYIUHOBA-WMLDXEAASA-N 1 0 340.533 3.754 50 0 EHAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000095404808 564139598 /nfs/dbraw/zinc/13/95/98/564139598.db2.gz VDJAQVGANJUISD-CMPLNLGQSA-N 1 0 328.243 3.694 50 0 EHAARO C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(F)cc1 ZINC000095420453 564139902 /nfs/dbraw/zinc/13/99/02/564139902.db2.gz UTBIUEPYFOQPNE-BEFAXECRSA-N 1 0 326.415 3.840 50 0 EHAARO COCCOc1ncccc1C[NH2+][C@H]1C[C@H](C)Sc2ccccc21 ZINC000095420360 564139947 /nfs/dbraw/zinc/13/99/47/564139947.db2.gz UVHDNAWSYJUKJG-YOEHRIQHSA-N 1 0 344.480 3.822 50 0 EHAARO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cncc(F)c1 ZINC000095421048 564139959 /nfs/dbraw/zinc/13/99/59/564139959.db2.gz POJUCCZQAXUCFV-CHWSQXEVSA-N 1 0 335.373 3.676 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)c1cnn(C)c1 ZINC000095421039 564139965 /nfs/dbraw/zinc/13/99/65/564139965.db2.gz NCVFXNRVOXSKME-HNNXBMFYSA-N 1 0 340.471 3.790 50 0 EHAARO COc1cccc([C@H](O)C[NH2+][C@H](C)Cc2nc3ccccc3s2)c1 ZINC000095422288 564140057 /nfs/dbraw/zinc/14/00/57/564140057.db2.gz FXCRFZAOVWGSLY-CXAGYDPISA-N 1 0 342.464 3.559 50 0 EHAARO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc3ccccc3n2)nc1 ZINC000095422402 564140105 /nfs/dbraw/zinc/14/01/05/564140105.db2.gz ICNVYGYTLIAHBL-HNNXBMFYSA-N 1 0 334.423 3.618 50 0 EHAARO CC(C)[NH+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)C(C)C ZINC000095459775 564140745 /nfs/dbraw/zinc/14/07/45/564140745.db2.gz GPSILDRRGJIYKX-INIZCTEOSA-N 1 0 343.427 3.669 50 0 EHAARO Cc1sc2nc(C(F)(F)F)nc(NC3CC[NH+](C)CC3)c2c1C ZINC000095948990 564142298 /nfs/dbraw/zinc/14/22/98/564142298.db2.gz KKTUSHCTDPRRFI-UHFFFAOYSA-N 1 0 344.406 3.833 50 0 EHAARO CC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968187 564143207 /nfs/dbraw/zinc/14/32/07/564143207.db2.gz CWKXMYHQGYPPCU-HIFRSBDPSA-N 1 0 342.936 3.943 50 0 EHAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@H](CCc2ccccc2)C(F)F)n1 ZINC000095996294 564144265 /nfs/dbraw/zinc/14/42/65/564144265.db2.gz TZFAJFBURTXBDS-RDTXWAMCSA-N 1 0 335.442 3.992 50 0 EHAARO OCC1CC[NH+](Cc2ccccc2NCc2ccc(F)c(F)c2)CC1 ZINC000096410303 564147592 /nfs/dbraw/zinc/14/75/92/564147592.db2.gz ZKMFFAWZCPBUGJ-UHFFFAOYSA-N 1 0 346.421 3.781 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Nc2cccc(-c3ncc(C)o3)c2)CC1 ZINC000096434793 564147974 /nfs/dbraw/zinc/14/79/74/564147974.db2.gz FKRODIKCMYPHOI-UHFFFAOYSA-N 1 0 342.443 3.646 50 0 EHAARO C[C@@H]([NH2+]CC(C)(C)CC1CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000096479390 564148559 /nfs/dbraw/zinc/14/85/59/564148559.db2.gz CLQQOUIGXYXFAG-IQMFZBJNSA-N 1 0 337.529 3.918 50 0 EHAARO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)no1 ZINC000096489536 564148696 /nfs/dbraw/zinc/14/86/96/564148696.db2.gz WJCYNPHGBUGMIM-BLLLJJGKSA-N 1 0 343.427 3.550 50 0 EHAARO Cc1c(C)n(C)c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc12 ZINC000027976873 564149850 /nfs/dbraw/zinc/14/98/50/564149850.db2.gz QHEVNGDXXQYZMI-UHFFFAOYSA-N 1 0 341.499 3.834 50 0 EHAARO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000299744342 564150586 /nfs/dbraw/zinc/15/05/86/564150586.db2.gz SBOLSCORAJTBHR-DRZSPHRISA-N 1 0 342.361 3.789 50 0 EHAARO C[NH+](C)CCC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000056531938 564152749 /nfs/dbraw/zinc/15/27/49/564152749.db2.gz PWIFASBJYUBSHJ-UHFFFAOYSA-N 1 0 343.393 3.901 50 0 EHAARO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NCCc1ccccc1 ZINC000057364141 564153761 /nfs/dbraw/zinc/15/37/61/564153761.db2.gz REDJLCMSAWBUDJ-UHFFFAOYSA-N 1 0 344.458 3.725 50 0 EHAARO CC1CC[NH+](Cc2cccc(C[NH2+]C3CCC(C(=O)[O-])CC3)c2)CC1 ZINC000263434860 564161675 /nfs/dbraw/zinc/16/16/75/564161675.db2.gz UDMUXHHTCNKXQB-UHFFFAOYSA-N 1 0 344.499 3.652 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2ccccc2[nH]1 ZINC000008012389 564162125 /nfs/dbraw/zinc/16/21/25/564162125.db2.gz UQQRKMSLUCYCLL-UHFFFAOYSA-N 1 0 333.435 3.694 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)CC3CCCC3)c(C)c2)CC1 ZINC000008747029 564167179 /nfs/dbraw/zinc/16/71/79/564167179.db2.gz UGQICXXDSKFQIG-UHFFFAOYSA-N 1 0 329.488 3.656 50 0 EHAARO O[C@@H](COCc1ccccc1)C[N@@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000040007544 564167810 /nfs/dbraw/zinc/16/78/10/564167810.db2.gz MTSHBMUYWLEZSD-XLIONFOSSA-N 1 0 343.492 3.635 50 0 EHAARO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)COCc1cccs1 ZINC000040160718 564168489 /nfs/dbraw/zinc/16/84/89/564168489.db2.gz XXHWVLCNDKJLFQ-APWZRJJASA-N 1 0 345.508 3.926 50 0 EHAARO Cc1ccccc1SCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040160833 564168496 /nfs/dbraw/zinc/16/84/96/564168496.db2.gz GCSZSIZULVWKEW-AWEZNQCLSA-N 1 0 334.510 3.568 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1OCc1ccncc1)[C@@H](C)n1cccn1 ZINC000069417267 564169302 /nfs/dbraw/zinc/16/93/02/564169302.db2.gz YIEHJUINJUJFIW-IAGOWNOFSA-N 1 0 336.439 3.596 50 0 EHAARO CCc1cccc2c(C(=O)N(C)C3CC[NH+](C(C)C)CC3)c[nH]c21 ZINC000069421208 564169408 /nfs/dbraw/zinc/16/94/08/564169408.db2.gz VCHQRVCYTFVVQF-UHFFFAOYSA-N 1 0 327.472 3.675 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(-n2cccc2)c1 ZINC000009516345 564174021 /nfs/dbraw/zinc/17/40/21/564174021.db2.gz YVMFAGQRUYLXQG-IBGZPJMESA-N 1 0 349.434 3.637 50 0 EHAARO CCN(CCCNC(=O)Cc1cccc2cccnc21)c1ccccc1 ZINC000041837133 564174392 /nfs/dbraw/zinc/17/43/92/564174392.db2.gz VLTOBZQYTJTIQH-UHFFFAOYSA-N 1 0 347.462 3.810 50 0 EHAARO Brc1ccc(C2([NH2+]Cc3ccco3)CCOCC2)cc1 ZINC000174469135 564174512 /nfs/dbraw/zinc/17/45/12/564174512.db2.gz GSCDWOIOYMQROG-UHFFFAOYSA-N 1 0 336.229 3.838 50 0 EHAARO CC(C)[NH+]1CCC(Nc2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000009835525 564174692 /nfs/dbraw/zinc/17/46/92/564174692.db2.gz ZAMRXVJIXGJERV-UHFFFAOYSA-N 1 0 347.466 3.977 50 0 EHAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000042209588 564174769 /nfs/dbraw/zinc/17/47/69/564174769.db2.gz ANINCXCGHUFJLA-UHFFFAOYSA-N 1 0 342.414 3.576 50 0 EHAARO C[N@H+](CCCNC(=O)c1ccc(OC(F)F)cc1)Cc1ccccc1 ZINC000009981206 564174971 /nfs/dbraw/zinc/17/49/71/564174971.db2.gz ZHRRWRNJJCRCRN-UHFFFAOYSA-N 1 0 348.393 3.540 50 0 EHAARO FC(F)n1ccnc1CC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000071799215 564175468 /nfs/dbraw/zinc/17/54/68/564175468.db2.gz ROLHVKYGGFSBSK-UHFFFAOYSA-N 1 0 340.424 3.796 50 0 EHAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2cn(CC)c3ccccc23)CC1 ZINC000064669809 1015541322 /nfs/dbraw/zinc/54/13/22/1015541322.db2.gz QFJPYCVKZWNNLS-INIZCTEOSA-N 1 0 341.499 3.788 50 0 EHAARO Ic1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000003106129 1017278496 /nfs/dbraw/zinc/27/84/96/1017278496.db2.gz SBZXROKCONSCHA-UHFFFAOYSA-N 1 0 345.224 3.546 50 0 EHAARO CC(C)[N@@H+]1CC2(CCN(C(=O)C3CCC3)CC2)[C@@H]1c1ccccc1 ZINC000169791886 1032659647 /nfs/dbraw/zinc/65/96/47/1032659647.db2.gz QRGMWWZWRQQXCO-IBGZPJMESA-N 1 0 326.484 3.861 50 0 EHAARO COCc1ccc(CN(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000020600191 1018188831 /nfs/dbraw/zinc/18/88/31/1018188831.db2.gz HLMNIXTUQMRMBO-IBGZPJMESA-N 1 0 342.483 3.565 50 0 EHAARO CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](C)c1cccnc1 ZINC000176030879 1023202135 /nfs/dbraw/zinc/20/21/35/1023202135.db2.gz SHKQBFKTIHECAQ-INIZCTEOSA-N 1 0 344.503 3.581 50 0 EHAARO COc1ccccc1/C=C/C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120912773 1025801124 /nfs/dbraw/zinc/80/11/24/1025801124.db2.gz MDGBZMZZLXKHQN-SOFGYWHQSA-N 1 0 348.450 3.631 50 0 EHAARO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000796708748 1031391647 /nfs/dbraw/zinc/39/16/47/1031391647.db2.gz SBXVJOASPMEBCW-GOSISDBHSA-N 1 0 341.455 3.724 50 0 EHAARO COc1ccsc1[C@@H](C)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000186113458 1127276147 /nfs/dbraw/zinc/27/61/47/1127276147.db2.gz YVKCOHAXWPSTJQ-CQSZACIVSA-N 1 0 331.485 3.993 50 0 EHAARO FC(F)Oc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186450265 1128643582 /nfs/dbraw/zinc/64/35/82/1128643582.db2.gz FQXCYGJANJOTMH-IBGZPJMESA-N 1 0 331.362 3.919 50 0 EHAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CC(C)(C)C)C3)C2=O)c1 ZINC000011879582 1129107968 /nfs/dbraw/zinc/10/79/68/1129107968.db2.gz MIAWKOBTKOWPFI-NRFANRHFSA-N 1 0 344.499 3.556 50 0 EHAARO Cc1scc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1C ZINC000180148828 1123948316 /nfs/dbraw/zinc/94/83/16/1123948316.db2.gz MPAHSLPKEBJZRG-UHFFFAOYSA-N 1 0 332.469 3.695 50 0 EHAARO c1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n(-c2ccccn2)c1 ZINC000012200715 1129387908 /nfs/dbraw/zinc/38/79/08/1129387908.db2.gz LBIXRKJANFFQLP-LJQANCHMSA-N 1 0 332.451 3.949 50 0 EHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccnc2)c1 ZINC000012306872 1129508262 /nfs/dbraw/zinc/50/82/62/1129508262.db2.gz PCWWVQJOPSEUCC-SFHVURJKSA-N 1 0 340.377 3.713 50 0 EHAARO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2F)CC1 ZINC000069369169 1130197266 /nfs/dbraw/zinc/19/72/66/1130197266.db2.gz IMKUAUICIJOAFV-OAHLLOKOSA-N 1 0 345.462 3.651 50 0 EHAARO CC(C)Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)s1 ZINC000821459800 1130934643 /nfs/dbraw/zinc/93/46/43/1130934643.db2.gz GIHDOMYDANUVNH-QGZVFWFLSA-N 1 0 336.545 3.633 50 0 EHAARO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(-c3cc[nH]n3)s2)cc1 ZINC000823709230 1131079300 /nfs/dbraw/zinc/07/93/00/1131079300.db2.gz OUXBCLLBFBAMQI-UHFFFAOYSA-N 1 0 340.496 3.832 50 0 EHAARO COc1cccc(OC)c1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000824795651 1131219570 /nfs/dbraw/zinc/21/95/70/1131219570.db2.gz MZJSQPQTQSJZCP-UHFFFAOYSA-N 1 0 340.423 3.552 50 0 EHAARO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(CO)cc1 ZINC000647229542 1131534368 /nfs/dbraw/zinc/53/43/68/1131534368.db2.gz XQVYMUMXENSNLS-UHFFFAOYSA-N 1 0 326.223 3.784 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](Cn3c(C)cnc3C3CCC3)C2)cn1 ZINC000575547493 1131571990 /nfs/dbraw/zinc/57/19/90/1131571990.db2.gz FRUMGWYZYWDUHQ-QGZVFWFLSA-N 1 0 341.503 3.588 50 0 EHAARO Cc1cnc(C2CCOCC2)n1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000575548706 1131572085 /nfs/dbraw/zinc/57/20/85/1131572085.db2.gz IUOYGNGEPHNQLK-LJQANCHMSA-N 1 0 331.504 3.913 50 0 EHAARO Cc1cnc(C2CCOCC2)n1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000575548694 1131572146 /nfs/dbraw/zinc/57/21/46/1131572146.db2.gz IUOYGNGEPHNQLK-IBGZPJMESA-N 1 0 331.504 3.913 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](Cn3c(C)cnc3C3CCC3)C2)cn1 ZINC000575547492 1131572608 /nfs/dbraw/zinc/57/26/08/1131572608.db2.gz FRUMGWYZYWDUHQ-KRWDZBQOSA-N 1 0 341.503 3.588 50 0 EHAARO COCc1ncc(C)n1C[C@@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000575547983 1131572698 /nfs/dbraw/zinc/57/26/98/1131572698.db2.gz DBGBKKJLRVZUFI-MRXNPFEDSA-N 1 0 333.501 3.620 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccsc3)CC2)CC1 ZINC000581787830 1132356443 /nfs/dbraw/zinc/35/64/43/1132356443.db2.gz DIZAOYNZMRZJBW-QGZVFWFLSA-N 1 0 334.529 3.651 50 0 EHAARO O=C(C1CCC1)N1CCC(Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000581810024 1132371148 /nfs/dbraw/zinc/37/11/48/1132371148.db2.gz AQMONMSIVOMMFI-UHFFFAOYSA-N 1 0 340.511 3.864 50 0 EHAARO Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000585089257 1136989454 /nfs/dbraw/zinc/98/94/54/1136989454.db2.gz PHPXXOPTBGHGAN-JOCHJYFZSA-N 1 0 349.478 3.954 50 0 EHAARO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2oc3ccccc3c2Cl)C1 ZINC000585118295 1137009079 /nfs/dbraw/zinc/00/90/79/1137009079.db2.gz JFDJUQWAOVSUJE-NWDGAFQWSA-N 1 0 341.860 3.532 50 0 EHAARO Cc1nnc(SCC[NH2+]Cc2ccc([C@H]3CCCCO3)o2)s1 ZINC000952868884 1137482938 /nfs/dbraw/zinc/48/29/38/1137482938.db2.gz IPTMWGAUDFFRMX-CYBMUJFWSA-N 1 0 339.486 3.563 50 0 EHAARO C[C@H](c1ccccc1)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000952884205 1137483465 /nfs/dbraw/zinc/48/34/65/1137483465.db2.gz VZYSVIHMLXNSAJ-OCCSQVGLSA-N 1 0 338.377 3.596 50 0 EHAARO CCOc1ccccc1C[N@H+](CCCn1nc(C)cc1C)C1CC1 ZINC000055360761 214311970 /nfs/dbraw/zinc/31/19/70/214311970.db2.gz ACYLYTYJCXFFII-UHFFFAOYSA-N 1 0 327.472 3.953 50 0 EHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](C2CCC2)C1 ZINC000014969237 201946227 /nfs/dbraw/zinc/94/62/27/201946227.db2.gz QECVCAQIXFMHAR-FQEVSTJZSA-N 1 0 331.456 3.653 50 0 EHAARO O=C(NCc1ccco1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019798880 202021110 /nfs/dbraw/zinc/02/11/10/202021110.db2.gz YLUZBKGVIYZFDB-UHFFFAOYSA-N 1 0 346.430 3.768 50 0 EHAARO Brc1ccccc1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019789356 202021163 /nfs/dbraw/zinc/02/11/63/202021163.db2.gz ZIOLAORBLJUKRC-INIZCTEOSA-N 1 0 349.316 3.923 50 0 EHAARO C[C@@H]1CCC[N@H+](CCC(=O)N(C)Cc2cc3ccccc3s2)C1 ZINC000020271921 202037015 /nfs/dbraw/zinc/03/70/15/202037015.db2.gz HAKDYQIYGSXLNP-OAHLLOKOSA-N 1 0 330.497 3.982 50 0 EHAARO CCN1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000020406541 202041562 /nfs/dbraw/zinc/04/15/62/202041562.db2.gz FQTURRLNAJJWTD-UHFFFAOYSA-N 1 0 330.394 3.502 50 0 EHAARO Cc1cc(C)n([C@H](C)CC(=O)Nc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000020603350 202049831 /nfs/dbraw/zinc/04/98/31/202049831.db2.gz NQEZTLFENBNJDQ-QGZVFWFLSA-N 1 0 340.471 3.686 50 0 EHAARO Cc1noc(C(C)C)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020903597 202058335 /nfs/dbraw/zinc/05/83/35/202058335.db2.gz CGWOUPGPXIJGCN-UHFFFAOYSA-N 1 0 341.455 3.501 50 0 EHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)cc1OC ZINC000021720858 202070184 /nfs/dbraw/zinc/07/01/84/202070184.db2.gz JHKOCIPIROIISS-INIZCTEOSA-N 1 0 330.428 3.900 50 0 EHAARO CC(C)[NH+](CCNC(=O)c1ccc(-c2ccc(F)cc2)o1)C(C)C ZINC000022623189 202088996 /nfs/dbraw/zinc/08/89/96/202088996.db2.gz VGOBWPDFCCISQF-UHFFFAOYSA-N 1 0 332.419 3.934 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000023190494 202100450 /nfs/dbraw/zinc/10/04/50/202100450.db2.gz DVBYDARWFQTMKV-QGZVFWFLSA-N 1 0 332.469 3.570 50 0 EHAARO C/C=C(\C)CN1CCC[C@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023375289 202102607 /nfs/dbraw/zinc/10/26/07/202102607.db2.gz XJHSWCDZCOBBLF-LDCDQMDXSA-N 1 0 346.515 3.609 50 0 EHAARO Cc1[nH]c2ccccc2c1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000024754484 202120386 /nfs/dbraw/zinc/12/03/86/202120386.db2.gz IXVFUIBLJMFUNC-UHFFFAOYSA-N 1 0 341.499 3.790 50 0 EHAARO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000025397728 202131654 /nfs/dbraw/zinc/13/16/54/202131654.db2.gz YBSQZBQXABQWLN-LBPRGKRZSA-N 1 0 345.830 3.588 50 0 EHAARO C[N@H+](CC(=O)Nc1ccccc1OC(F)F)[C@H]1CCc2ccccc21 ZINC000029810370 202190935 /nfs/dbraw/zinc/19/09/35/202190935.db2.gz TUNXAHBRCXSHAW-INIZCTEOSA-N 1 0 346.377 3.846 50 0 EHAARO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2)CC1 ZINC000031201418 202203633 /nfs/dbraw/zinc/20/36/33/202203633.db2.gz GPSXCAVYOUKDJR-GOSISDBHSA-N 1 0 326.484 3.891 50 0 EHAARO COc1cccc(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000031620957 202207647 /nfs/dbraw/zinc/20/76/47/202207647.db2.gz PGFJIUYDRCLWFQ-UHFFFAOYSA-N 1 0 338.451 3.862 50 0 EHAARO O=C(C1CC[NH+](CCc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000032804142 202235651 /nfs/dbraw/zinc/23/56/51/202235651.db2.gz PVJWRQZVXJFPQJ-UHFFFAOYSA-N 1 0 348.490 3.526 50 0 EHAARO CC(=O)Nc1ccc2c(C[NH2+][C@H](C)c3ccccc3)cc(=O)oc2c1 ZINC000033040177 202248636 /nfs/dbraw/zinc/24/86/36/202248636.db2.gz DRBXGWKVEYGBJR-CYBMUJFWSA-N 1 0 336.391 3.602 50 0 EHAARO COC(=O)c1occc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879782 202239840 /nfs/dbraw/zinc/23/98/40/202239840.db2.gz MPZRVJWYRILMES-UHFFFAOYSA-N 1 0 338.407 3.927 50 0 EHAARO CC(C)c1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3)cc1 ZINC000034812154 202278155 /nfs/dbraw/zinc/27/81/55/202278155.db2.gz VFOUQTZAXWWABZ-UHFFFAOYSA-N 1 0 349.478 3.958 50 0 EHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)c2ccccc2)cc1OC ZINC000036095602 202314113 /nfs/dbraw/zinc/31/41/13/202314113.db2.gz QLWKIEZBWANTIJ-IBGZPJMESA-N 1 0 343.467 3.895 50 0 EHAARO CC(C)OC[C@H](O)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099508 202315327 /nfs/dbraw/zinc/31/53/27/202315327.db2.gz RWDYBLRWEVYOQO-GOSISDBHSA-N 1 0 337.460 3.675 50 0 EHAARO C[C@@H](CNC(=S)Nc1ccc(F)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000036847537 202332966 /nfs/dbraw/zinc/33/29/66/202332966.db2.gz SBQVETZUMQYRSH-NEPJUHHUSA-N 1 0 327.444 3.514 50 0 EHAARO Fc1ccc(-c2nnc(C3CC[NH+](Cc4cccnc4)CC3)o2)cc1 ZINC000070641641 202336203 /nfs/dbraw/zinc/33/62/03/202336203.db2.gz LHFHLOIGPDYKCJ-UHFFFAOYSA-N 1 0 338.386 3.650 50 0 EHAARO C[C@@H]1C[C@H](NC(=O)c2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000075106044 202375706 /nfs/dbraw/zinc/37/57/06/202375706.db2.gz PQTXWSZLVXTREA-GDBMZVCRSA-N 1 0 344.405 3.748 50 0 EHAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000097159720 201379861 /nfs/dbraw/zinc/37/98/61/201379861.db2.gz ILUHVWINKPORBW-UHFFFAOYSA-N 1 0 336.439 3.539 50 0 EHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000299740076 202544075 /nfs/dbraw/zinc/54/40/75/202544075.db2.gz VMXZXVHDVDMKLG-GDBMZVCRSA-N 1 0 342.414 3.817 50 0 EHAARO CC(C)(C)C1CCC2(CC1)NCC[NH+]=C2NCc1cccc(F)c1 ZINC000046153131 202565832 /nfs/dbraw/zinc/56/58/32/202565832.db2.gz SRBVXWODKIMXKL-UHFFFAOYSA-N 1 0 331.479 3.892 50 0 biogenic EHAARO O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)N1CCc2sccc2C1 ZINC000055899047 202699959 /nfs/dbraw/zinc/69/99/59/202699959.db2.gz OPVXRALQUYOBDH-HNNXBMFYSA-N 1 0 346.521 3.922 50 0 EHAARO Cc1cc(C)n2ncc(C[N@@H+]3CC[C@@H](c4cccc(Cl)c4)C3)c2n1 ZINC000215856717 241150413 /nfs/dbraw/zinc/15/04/13/241150413.db2.gz NREVFVJBNFAWNL-MRXNPFEDSA-N 1 0 340.858 3.989 50 0 EHAARO COc1ccc(OCC2CC[NH+](Cc3cncn3C(C)C)CC2)cc1 ZINC000216228742 241175913 /nfs/dbraw/zinc/17/59/13/241175913.db2.gz AXNSXLANALUIKK-UHFFFAOYSA-N 1 0 343.471 3.764 50 0 EHAARO CCOc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1F ZINC000242242311 243013179 /nfs/dbraw/zinc/01/31/79/243013179.db2.gz XTTXFNQOVDQWQM-UHFFFAOYSA-N 1 0 344.430 3.539 50 0 EHAARO Cc1ccc(NC(=O)CCN2CC([N@H+]3CCCC[C@@H]3C)C2)cc1Cl ZINC000244773818 243078947 /nfs/dbraw/zinc/07/89/47/243078947.db2.gz PHDUPOSYXJKHQV-HNNXBMFYSA-N 1 0 349.906 3.536 50 0 EHAARO Cc1c[nH]nc1C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000244872919 243089697 /nfs/dbraw/zinc/08/96/97/243089697.db2.gz WGXFWJMWXQGZFH-UHFFFAOYSA-N 1 0 346.862 3.580 50 0 EHAARO C[C@@H](CC(=O)N(C)Cc1cnc2ccccc2c1)[NH+]1CCCCCC1 ZINC000244884148 243097611 /nfs/dbraw/zinc/09/76/11/243097611.db2.gz YGJAXLCDTHFWLQ-KRWDZBQOSA-N 1 0 339.483 3.848 50 0 EHAARO C[C@@H](CC[N@@H+]1CCCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000065393467 202840770 /nfs/dbraw/zinc/84/07/70/202840770.db2.gz ZWFAJKNJPKCWLF-KRWDZBQOSA-N 1 0 326.440 3.621 50 0 EHAARO Cc1ccc(C)c(OCc2nnc(SC[C@H]3CCC[N@@H+](C)C3)o2)c1 ZINC000069658137 203033132 /nfs/dbraw/zinc/03/31/32/203033132.db2.gz CDTCNKMPYNEXOR-HNNXBMFYSA-N 1 0 347.484 3.699 50 0 EHAARO O=C(CCN1CCC[C@@H]1C[NH+]1CCCCC1)Nc1ccccc1Cl ZINC000069516690 203011774 /nfs/dbraw/zinc/01/17/74/203011774.db2.gz RQJLGQYEQRRVFU-MRXNPFEDSA-N 1 0 349.906 3.619 50 0 EHAARO CC(C)[C@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)CCC[N@@H+]1CC1CC1 ZINC000071419037 203095336 /nfs/dbraw/zinc/09/53/36/203095336.db2.gz DAPWOEOQXGXYIK-LJQANCHMSA-N 1 0 342.487 3.612 50 0 EHAARO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000071497696 203098551 /nfs/dbraw/zinc/09/85/51/203098551.db2.gz JGHHKGYIGQLLDW-LJQANCHMSA-N 1 0 335.451 3.939 50 0 EHAARO CCCCC[NH2+]Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000040460112 203098951 /nfs/dbraw/zinc/09/89/51/203098951.db2.gz ZMEJXPQISBQPKX-UHFFFAOYSA-N 1 0 327.453 3.703 50 0 EHAARO CSc1nccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071614384 203100882 /nfs/dbraw/zinc/10/08/82/203100882.db2.gz GGRACHRBAPPZOF-HNNXBMFYSA-N 1 0 329.469 3.646 50 0 EHAARO COc1ccc(C)cc1C(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071735848 203104483 /nfs/dbraw/zinc/10/44/83/203104483.db2.gz DPELOCKBDUDWBA-LJQANCHMSA-N 1 0 344.499 3.586 50 0 EHAARO CC(C)[C@@H]1CN(C(=O)c2cc3sccc3[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071748212 203105906 /nfs/dbraw/zinc/10/59/06/203105906.db2.gz MYZDQSTXVJBTFF-KRWDZBQOSA-N 1 0 345.512 3.812 50 0 EHAARO OCCCC[N@@H+]1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071759204 203109236 /nfs/dbraw/zinc/10/92/36/203109236.db2.gz MBMXVAAJWPPMDX-NRFANRHFSA-N 1 0 339.479 3.682 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](Cn2ccnc2-c2ccc(-n3ccnc3)cc2)C1 ZINC000071761541 203109559 /nfs/dbraw/zinc/10/95/59/203109559.db2.gz IWCXJCPERKYZGY-SFHVURJKSA-N 1 0 349.482 3.856 50 0 EHAARO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000071824381 203119474 /nfs/dbraw/zinc/11/94/74/203119474.db2.gz SNJQLIJFWAEGJP-RBUKOAKNSA-N 1 0 340.492 3.586 50 0 EHAARO CCCCN(Cc1cccnc1)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072150756 203173629 /nfs/dbraw/zinc/17/36/29/203173629.db2.gz KQPHATJVMJFLOG-GOSISDBHSA-N 1 0 337.467 3.601 50 0 EHAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2ccc3cccc(F)c3n2)C1 ZINC000072164605 203177140 /nfs/dbraw/zinc/17/71/40/203177140.db2.gz QWSVNNCSONHLOM-INIZCTEOSA-N 1 0 338.430 3.791 50 0 EHAARO Cc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)co1 ZINC000072167615 203178939 /nfs/dbraw/zinc/17/89/39/203178939.db2.gz DSGKAYYAJRPNOS-UHFFFAOYSA-N 1 0 347.462 3.890 50 0 EHAARO c1ccc(C[N@@H+]2CCC[C@@H](Nc3nccc(C4CCCC4)n3)C2)nc1 ZINC000072474711 203231156 /nfs/dbraw/zinc/23/11/56/203231156.db2.gz PZZSYKBLSHVZEV-GOSISDBHSA-N 1 0 337.471 3.606 50 0 EHAARO CCn1ccc2cc(CCC(=O)NCC[N@@H+]3CCCC[C@H]3C)ccc21 ZINC000075550667 203318866 /nfs/dbraw/zinc/31/88/66/203318866.db2.gz QVWONPIWPFWABY-QGZVFWFLSA-N 1 0 341.499 3.584 50 0 EHAARO Cc1ccccc1-c1c[nH]nc1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077287700 203378903 /nfs/dbraw/zinc/37/89/03/203378903.db2.gz KWBIOVMELDUGSM-MRXNPFEDSA-N 1 0 325.456 3.601 50 0 EHAARO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077378089 203384486 /nfs/dbraw/zinc/38/44/86/203384486.db2.gz KFLNSVUSVVVLRZ-IBGZPJMESA-N 1 0 349.482 3.593 50 0 EHAARO Cc1cccnc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077439956 203388886 /nfs/dbraw/zinc/38/88/86/203388886.db2.gz KKSZUGYKLQGPNW-OAQYLSRUSA-N 1 0 343.515 3.641 50 0 EHAARO Cc1ccc2nc(C)cc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)c2c1 ZINC000077520970 203393252 /nfs/dbraw/zinc/39/32/52/203393252.db2.gz KFOGMWBFUPCYRW-MRXNPFEDSA-N 1 0 337.467 3.550 50 0 EHAARO C/C=C/C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077534976 203393595 /nfs/dbraw/zinc/39/35/95/203393595.db2.gz MKAJTFZMAPBIEV-GMKGHPLGSA-N 1 0 326.484 3.510 50 0 EHAARO c1cnn(-c2ccccc2C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000084665068 203534607 /nfs/dbraw/zinc/53/46/07/203534607.db2.gz VQMFBPZSASFLCE-FPOVZHCZSA-N 1 0 333.435 3.740 50 0 EHAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000089948992 203606031 /nfs/dbraw/zinc/60/60/31/203606031.db2.gz YOUDPAZFSBIHNO-LAUBAEHRSA-N 1 0 340.467 3.585 50 0 EHAARO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc2c(c1)CCO2 ZINC000090540610 203617439 /nfs/dbraw/zinc/61/74/39/203617439.db2.gz MHZOMMFLBKHVNY-ZIFCJYIRSA-N 1 0 333.497 3.717 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(OCc3ccccn3)cc2)c(C)n1 ZINC000097016558 203906974 /nfs/dbraw/zinc/90/69/74/203906974.db2.gz OOVCQIKAKAFHKG-OAHLLOKOSA-N 1 0 348.450 3.918 50 0 EHAARO [NH3+]C[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000097334219 203939635 /nfs/dbraw/zinc/93/96/35/203939635.db2.gz HBGRYZMJYHXFEO-HNNXBMFYSA-N 1 0 325.412 3.682 50 0 EHAARO Cc1cccnc1[C@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000097570954 203951444 /nfs/dbraw/zinc/95/14/44/203951444.db2.gz ZIPSUPXUROCWSA-LJQANCHMSA-N 1 0 343.515 3.904 50 0 EHAARO O=C(CCc1ccccc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000047903305 204339659 /nfs/dbraw/zinc/33/96/59/204339659.db2.gz PURJHGKDLWUTCR-UHFFFAOYSA-N 1 0 340.442 3.539 50 0 EHAARO c1ccc(CC[C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000048275608 204343380 /nfs/dbraw/zinc/34/33/80/204343380.db2.gz UKASLMFSAKREQB-KRWDZBQOSA-N 1 0 334.423 3.729 50 0 EHAARO Cc1oc2nc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)nc(N)c2c1C ZINC000133810768 205379104 /nfs/dbraw/zinc/37/91/04/205379104.db2.gz XICBFCIABKVPGB-JKSUJKDBSA-N 1 0 336.439 3.848 50 0 EHAARO CC[NH+](CC)c1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000000128679 206208423 /nfs/dbraw/zinc/20/84/23/206208423.db2.gz GFZMGVOOUHJBBS-UHFFFAOYSA-N 1 0 337.423 3.507 50 0 EHAARO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccsc2)CC1 ZINC000091918996 218088659 /nfs/dbraw/zinc/08/86/59/218088659.db2.gz YXSGVPDIDQWHLO-UHFFFAOYSA-N 1 0 330.453 3.607 50 0 EHAARO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010051820 211144426 /nfs/dbraw/zinc/14/44/26/211144426.db2.gz DVXFWBHSIFTDDJ-XQQFMLRXSA-N 1 0 344.377 3.890 50 0 EHAARO CC(=O)Nc1ccccc1C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000095436218 218378322 /nfs/dbraw/zinc/37/83/22/218378322.db2.gz FUOAUZKZADDZRV-UHFFFAOYSA-N 1 0 339.483 3.645 50 0 EHAARO CC1(C)CC(NC(=O)CCCc2c[nH]c3ccccc23)CC(C)(C)[NH2+]1 ZINC000012885384 207256570 /nfs/dbraw/zinc/25/65/70/207256570.db2.gz AGASXTWEVRKGPN-UHFFFAOYSA-N 1 0 341.499 3.916 50 0 EHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cl)nc1 ZINC000012999902 207264410 /nfs/dbraw/zinc/26/44/10/207264410.db2.gz SQMVHAKTLHBCAG-UHFFFAOYSA-N 1 0 335.879 3.654 50 0 EHAARO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000097237995 219003709 /nfs/dbraw/zinc/00/37/09/219003709.db2.gz NPKPPRJPPHQGSP-GOSISDBHSA-N 1 0 328.387 3.788 50 0 EHAARO CC[N@H+](C)C1(CNC(=O)Nc2cc(C)c(OC)c(C)c2)CCCC1 ZINC000299787812 258094221 /nfs/dbraw/zinc/09/42/21/258094221.db2.gz QTKNVLPGRUJCDE-UHFFFAOYSA-N 1 0 333.476 3.698 50 0 EHAARO Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)c1 ZINC000299755413 258074307 /nfs/dbraw/zinc/07/43/07/258074307.db2.gz CCZQVIVINGFGDN-HBMCJLEFSA-N 1 0 334.463 3.837 50 0 EHAARO Cc1ccsc1C[N@H+]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000299767146 258081267 /nfs/dbraw/zinc/08/12/67/258081267.db2.gz FSFXOIAONBUOSR-UHFFFAOYSA-N 1 0 348.899 3.944 50 0 EHAARO CC[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(OC2CCCC2)cc1 ZINC000095422290 522809042 /nfs/dbraw/zinc/80/90/42/522809042.db2.gz ANXPJUVQUFNVLM-LJQANCHMSA-N 1 0 345.487 3.592 50 0 EHAARO CCCO[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)C1 ZINC000219282040 535240345 /nfs/dbraw/zinc/24/03/45/535240345.db2.gz CRYVRGQKSNAEOF-KRWDZBQOSA-N 1 0 348.487 3.543 50 0 EHAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C12CCCC2 ZINC000222130281 535515768 /nfs/dbraw/zinc/51/57/68/535515768.db2.gz QSWUUCNZMSALJN-CWVYHPPDSA-N 1 0 327.559 3.693 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000013145823 563691401 /nfs/dbraw/zinc/69/14/01/563691401.db2.gz RJDRSELFTKMTNZ-ZIAGYGMSSA-N 1 0 332.271 3.998 50 0 EHAARO Brc1ccc(CN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000100646585 563982687 /nfs/dbraw/zinc/98/26/87/563982687.db2.gz LPQYPUPWPOEKCS-UHFFFAOYSA-N 1 0 328.213 3.645 50 0 EHAARO Cc1cc2[nH]c(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2c(C)c1 ZINC000000153735 563247133 /nfs/dbraw/zinc/24/71/33/563247133.db2.gz OSJFRFJHJJCWJI-UHFFFAOYSA-N 1 0 339.483 3.875 50 0 EHAARO Cc1cc(NC(=O)CC[NH+]2CCCCCC2)ccc1Br ZINC000000176182 563253011 /nfs/dbraw/zinc/25/30/11/563253011.db2.gz XVQRNGIMMISOSA-UHFFFAOYSA-N 1 0 339.277 3.962 50 0 EHAARO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(OC)c(OC)c3)c2c1 ZINC000004342641 563500902 /nfs/dbraw/zinc/50/09/02/563500902.db2.gz HPVMOMBUJGGQOG-UHFFFAOYSA-N 1 0 340.423 3.526 50 0 EHAARO CC1(C)CC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC(C)(C)[NH2+]1 ZINC000004977816 563516579 /nfs/dbraw/zinc/51/65/79/563516579.db2.gz GBNFAYJFSCSVOT-UHFFFAOYSA-N 1 0 333.520 3.564 50 0 EHAARO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010448933 563648057 /nfs/dbraw/zinc/64/80/57/563648057.db2.gz ZEULLNVQCQHVHN-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO CN(Cc1ccccc1)C(=O)CCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000012072337 563653198 /nfs/dbraw/zinc/65/31/98/563653198.db2.gz QLKALBUKKOZJDM-IBGZPJMESA-N 1 0 346.540 3.643 50 0 EHAARO CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000012076230 563653206 /nfs/dbraw/zinc/65/32/06/563653206.db2.gz JPHQYXPDXBWILV-KRWDZBQOSA-N 1 0 329.469 3.869 50 0 EHAARO CN(Cc1ccncc1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012308512 563657682 /nfs/dbraw/zinc/65/76/82/563657682.db2.gz GULZGAYLUZLDOY-IBGZPJMESA-N 1 0 341.474 3.607 50 0 EHAARO Cc1ccc(-n2ncc3c2ncnc3NCc2ccc(F)cc2)cc1 ZINC000004354894 563665710 /nfs/dbraw/zinc/66/57/10/563665710.db2.gz NWPSHXCTLXHPJP-UHFFFAOYSA-N 1 0 333.370 3.875 50 0 EHAARO COc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000013002473 563684842 /nfs/dbraw/zinc/68/48/42/563684842.db2.gz CNKALMCADLXFLK-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000013116873 563688483 /nfs/dbraw/zinc/68/84/83/563688483.db2.gz WQSJKFDKTGKSBV-YLJYHZDGSA-N 1 0 325.452 3.825 50 0 EHAARO Cc1ccc(SCC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000032728522 563707851 /nfs/dbraw/zinc/70/78/51/563707851.db2.gz BUSHSTZTSQJZGH-GOSISDBHSA-N 1 0 346.471 3.645 50 0 EHAARO Cc1ccc2[nH]c3c(ncnc3N3CC[NH+](C4CCCCC4)CC3)c2c1 ZINC000013774786 563722970 /nfs/dbraw/zinc/72/29/70/563722970.db2.gz HTPPTVVFITYJQC-UHFFFAOYSA-N 1 0 349.482 3.874 50 0 EHAARO O=C(c1ccco1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000015065228 563775001 /nfs/dbraw/zinc/77/50/01/563775001.db2.gz PFFJLKJTEBAJPO-HXUWFJFHSA-N 1 0 342.414 3.547 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2C)N3)C1 ZINC000004556129 563779242 /nfs/dbraw/zinc/77/92/42/563779242.db2.gz PGVIOIQHMUMYCB-INIZCTEOSA-N 1 0 327.453 3.863 50 0 EHAARO CCCOc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000015831662 563793437 /nfs/dbraw/zinc/79/34/37/563793437.db2.gz VYQGNNGPWQFKQV-SFHVURJKSA-N 1 0 342.439 3.635 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860281 563797060 /nfs/dbraw/zinc/79/70/60/563797060.db2.gz JAARDNCVWRKJBN-SFHVURJKSA-N 1 0 344.430 3.930 50 0 EHAARO Cc1scc(C(=O)NC2CC[NH+](C)CC2)c1-c1ccc(C)cc1 ZINC000016602822 563816272 /nfs/dbraw/zinc/81/62/72/563816272.db2.gz HRBWENLENMBYIZ-UHFFFAOYSA-N 1 0 328.481 3.856 50 0 EHAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(C)=O)ccc21 ZINC000016647708 563818965 /nfs/dbraw/zinc/81/89/65/563818965.db2.gz MVNHXXBCVOXQAR-UHFFFAOYSA-N 1 0 328.460 3.637 50 0 EHAARO O=C(C1CCCCC1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017067888 563832066 /nfs/dbraw/zinc/83/20/66/563832066.db2.gz RBQFLNRDAWJIRW-UHFFFAOYSA-N 1 0 330.516 3.680 50 0 EHAARO COc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027749413 563899557 /nfs/dbraw/zinc/89/95/57/563899557.db2.gz HPFJSOVPLJKARQ-LJQANCHMSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH2+]C(C)(C)C)cc1 ZINC000003893863 563918833 /nfs/dbraw/zinc/91/88/33/563918833.db2.gz CQUMXDIAJBKLEZ-UHFFFAOYSA-N 1 0 332.469 3.684 50 0 EHAARO Clc1ccc([C@H]([NH2+]Cc2cnc(N3CCCC3)nc2)C2CC2)cc1 ZINC000048683032 563924530 /nfs/dbraw/zinc/92/45/30/563924530.db2.gz JMMYJRAYTGDHCR-GOSISDBHSA-N 1 0 342.874 3.971 50 0 EHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccnc1Cl ZINC000033023426 563929482 /nfs/dbraw/zinc/92/94/82/563929482.db2.gz QXWOVJYAGMGKHS-UHFFFAOYSA-N 1 0 335.879 3.654 50 0 EHAARO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc([C@H]2CCCCO2)o1 ZINC000055245211 563934176 /nfs/dbraw/zinc/93/41/76/563934176.db2.gz VVJYYNCQQBVSPE-GOSISDBHSA-N 1 0 331.460 3.913 50 0 EHAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1F ZINC000058195248 563939532 /nfs/dbraw/zinc/93/95/32/563939532.db2.gz JZCXZBLMUYTLMW-CQSZACIVSA-N 1 0 332.444 3.529 50 0 EHAARO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000058245962 563940780 /nfs/dbraw/zinc/94/07/80/563940780.db2.gz XRNUMVHDMWEYJE-LBPRGKRZSA-N 1 0 348.853 3.957 50 0 EHAARO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)c1 ZINC000058264231 563941022 /nfs/dbraw/zinc/94/10/22/563941022.db2.gz DBZXWEXIZSIXEP-AWEZNQCLSA-N 1 0 345.439 3.962 50 0 EHAARO CC[NH+](CC)Cc1ccccc1NCc1nc(-c2ccco2)no1 ZINC000059803306 563949314 /nfs/dbraw/zinc/94/93/14/563949314.db2.gz UGDMELJUYWRPDV-UHFFFAOYSA-N 1 0 326.400 3.784 50 0 EHAARO CC(=O)N(c1nc(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cs1)C1CC1 ZINC000096429078 563952375 /nfs/dbraw/zinc/95/23/75/563952375.db2.gz BPIAHZJGVZHIEM-CABCVRRESA-N 1 0 333.501 3.717 50 0 EHAARO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1 ZINC000096478522 563955156 /nfs/dbraw/zinc/95/51/56/563955156.db2.gz VAMJGZVKODYWBY-RBSFLKMASA-N 1 0 329.488 3.758 50 0 EHAARO C[C@@H]([NH2+]Cc1ccncc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000096491268 563955641 /nfs/dbraw/zinc/95/56/41/563955641.db2.gz KMJGCFZBBJVJLG-GFCCVEGCSA-N 1 0 331.803 3.542 50 0 EHAARO C/C(=C\c1ccco1)C[NH+]1CCC(c2nnc3n2CCCCC3)CC1 ZINC000065381411 563959105 /nfs/dbraw/zinc/95/91/05/563959105.db2.gz FGRRNDXUBMLSED-JQIJEIRASA-N 1 0 340.471 3.880 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1 ZINC000065396046 563959600 /nfs/dbraw/zinc/95/96/00/563959600.db2.gz LHEGAOVTRACPDQ-QMMMGPOBSA-N 1 0 330.240 3.567 50 0 EHAARO CNc1ncccc1C[N@@H+]1CC[C@@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065435754 563960943 /nfs/dbraw/zinc/96/09/43/563960943.db2.gz BKXPXNZVSYULPV-GOSISDBHSA-N 1 0 345.450 3.570 50 0 EHAARO CCCCc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(C)=O)C3)C2)s1 ZINC000067588921 563962394 /nfs/dbraw/zinc/96/23/94/563962394.db2.gz RORREGYDMLJOQR-IBGZPJMESA-N 1 0 334.529 3.925 50 0 EHAARO C[C@@]1(O)CC[N@H+](Cc2ccc(O)c(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC000067688788 563962505 /nfs/dbraw/zinc/96/25/05/563962505.db2.gz LAMNISPNADSPEL-FXAWDEMLSA-N 1 0 345.870 3.861 50 0 EHAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000067834388 563962882 /nfs/dbraw/zinc/96/28/82/563962882.db2.gz QEBAIHMBYDYBEF-CYBMUJFWSA-N 1 0 340.452 3.563 50 0 EHAARO Cc1cccc2c(CC[NH2+]C3CCN(Cc4ccccn4)CC3)c[nH]c21 ZINC000067856272 563962930 /nfs/dbraw/zinc/96/29/30/563962930.db2.gz FNGYNHXHYKQDLA-UHFFFAOYSA-N 1 0 348.494 3.668 50 0 EHAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)Cc2cccc(Cl)c2)n1 ZINC000067919956 563963089 /nfs/dbraw/zinc/96/30/89/563963089.db2.gz IYZHWHFYMWZZLS-UHFFFAOYSA-N 1 0 330.863 3.542 50 0 EHAARO COc1ccc(-c2ccccc2N2CC[NH2+]CC2)c2ccc(C)nc12 ZINC000067965531 563963167 /nfs/dbraw/zinc/96/31/67/563963167.db2.gz IYHXNEJCGWUGIV-UHFFFAOYSA-N 1 0 333.435 3.628 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(C)n1 ZINC000097016628 563966700 /nfs/dbraw/zinc/96/67/00/563966700.db2.gz GSFDYLDSQXRVAM-IUODEOHRSA-N 1 0 346.425 3.549 50 0 EHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000097016460 563966730 /nfs/dbraw/zinc/96/67/30/563966730.db2.gz NWHJVWUHRXUOCN-AWEZNQCLSA-N 1 0 349.482 3.806 50 0 EHAARO Clc1cnccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000097034217 563966867 /nfs/dbraw/zinc/96/68/67/563966867.db2.gz QPVLWHVRRCCJKT-GOSISDBHSA-N 1 0 330.815 3.747 50 0 EHAARO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000337331494 563968720 /nfs/dbraw/zinc/96/87/20/563968720.db2.gz HHIHFFBQVYGZMB-CVEARBPZSA-N 1 0 341.455 3.798 50 0 EHAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000077354225 563969139 /nfs/dbraw/zinc/96/91/39/563969139.db2.gz ZZMVUFQEUOTACY-ZDUSSCGKSA-N 1 0 328.441 3.814 50 0 EHAARO COc1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2CCc2nccn2C)cc1 ZINC000077554920 563970343 /nfs/dbraw/zinc/97/03/43/563970343.db2.gz CITLRPNRMJCOIU-ZMBJWTFHSA-N 1 0 339.483 3.929 50 0 EHAARO Cc1cc(N[C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)nc(N)[nH+]1 ZINC000091817741 563975793 /nfs/dbraw/zinc/97/57/93/563975793.db2.gz ZNDSYOAOEYIDDV-ZDUSSCGKSA-N 1 0 340.475 3.580 50 0 EHAARO Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)c1 ZINC000092062129 563976022 /nfs/dbraw/zinc/97/60/22/563976022.db2.gz QVHFPXUGNBPKNH-PKOBYXMFSA-N 1 0 327.497 3.548 50 0 EHAARO COc1cccc2ccc(N3CCC([C@H](C)[NH+]4CCCC4)CC3)nc21 ZINC000095355733 563976756 /nfs/dbraw/zinc/97/67/56/563976756.db2.gz GVEITCLHZYVNIM-INIZCTEOSA-N 1 0 339.483 3.944 50 0 EHAARO O=C1NC2(C[C@@H]1c1ccccc1)CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000095390165 563976949 /nfs/dbraw/zinc/97/69/49/563976949.db2.gz LWGVGEMVRQOLEP-TYOLEZHBSA-N 1 0 346.474 3.838 50 0 EHAARO CN(Cc1ccc(C[NH+]2CCCC2)s1)Cc1cnc2ccccn12 ZINC000097729597 563981848 /nfs/dbraw/zinc/98/18/48/563981848.db2.gz WNMBBWXYJXXAER-UHFFFAOYSA-N 1 0 340.496 3.624 50 0 EHAARO Cc1nnc([C@@H](C)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000338271972 563986680 /nfs/dbraw/zinc/98/66/80/563986680.db2.gz CAFNUFOHQLFTCI-HUUCEWRRSA-N 1 0 336.549 3.884 50 0 EHAARO C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000196404 563988248 /nfs/dbraw/zinc/98/82/48/563988248.db2.gz CQQUVPWMVQOMTM-CQSZACIVSA-N 1 0 333.284 3.519 50 0 EHAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)cc1 ZINC000000221133 563988851 /nfs/dbraw/zinc/98/88/51/563988851.db2.gz RLBUTYJKQKNSHC-MRXNPFEDSA-N 1 0 342.512 3.712 50 0 EHAARO COc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)c1 ZINC000000263768 563989859 /nfs/dbraw/zinc/98/98/59/563989859.db2.gz OBXYDXQNVBZOMJ-AWEZNQCLSA-N 1 0 347.484 3.610 50 0 EHAARO Cc1ccc(F)c(NC(=O)C2(C)CCN(c3cc[nH+]cc3)CC2)c1 ZINC000408522136 563993152 /nfs/dbraw/zinc/99/31/52/563993152.db2.gz DNPHGXZNSMLYGY-UHFFFAOYSA-N 1 0 327.403 3.774 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCC(F)(F)CC1 ZINC000121923228 563994307 /nfs/dbraw/zinc/99/43/07/563994307.db2.gz QHFISFVSHWOBNJ-UHFFFAOYSA-N 1 0 336.426 3.593 50 0 EHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000252679980 563998100 /nfs/dbraw/zinc/99/81/00/563998100.db2.gz UJOWPJBNOMZPGT-LMMKCTJWSA-N 1 0 326.484 3.582 50 0 EHAARO Cc1n[nH]c(C)c1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000078711977 564000912 /nfs/dbraw/zinc/00/09/12/564000912.db2.gz BTTJLTTWXCXRTI-UHFFFAOYSA-N 1 0 340.471 3.584 50 0 EHAARO COc1cc(OC)c(/C=C\c2cc3ccccc3c[n+]2C)c(OC)c1 ZINC000005351678 564005952 /nfs/dbraw/zinc/00/59/52/564005952.db2.gz VDSQWFMVQVDSEL-KTKRTIGZSA-N 1 0 336.411 3.861 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000017245214 564011460 /nfs/dbraw/zinc/01/14/60/564011460.db2.gz IESQPBKYIUAJGX-YLJYHZDGSA-N 1 0 325.452 3.968 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)c(O)c(OC)c1 ZINC000004987389 564013920 /nfs/dbraw/zinc/01/39/20/564013920.db2.gz UNJVSPPJXWHZBS-GFCCVEGCSA-N 1 0 328.250 3.928 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCc3ccccc3C2)n1 ZINC000189088892 564014546 /nfs/dbraw/zinc/01/45/46/564014546.db2.gz RMPKCZWTMLUUPB-NRFANRHFSA-N 1 0 349.478 3.502 50 0 EHAARO COc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000016666975 564024673 /nfs/dbraw/zinc/02/46/73/564024673.db2.gz BPGSKQWKWPUILD-UHFFFAOYSA-N 1 0 340.467 3.823 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000105878720 564025331 /nfs/dbraw/zinc/02/53/31/564025331.db2.gz LAZMADIPOGCJSZ-NJDAHSKKSA-N 1 0 340.511 3.875 50 0 EHAARO CSc1ccc(Cl)c(C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000046956784 564025616 /nfs/dbraw/zinc/02/56/16/564025616.db2.gz HWZFYGFSRHWIHZ-UHFFFAOYSA-N 1 0 326.893 3.524 50 0 EHAARO c1ccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCCCC2)cc1 ZINC000046078119 564029472 /nfs/dbraw/zinc/02/94/72/564029472.db2.gz NSXGTKKSYLYZPJ-UHFFFAOYSA-N 1 0 325.460 3.744 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccco2)C1 ZINC000048885366 564032292 /nfs/dbraw/zinc/03/22/92/564032292.db2.gz ZBQHQOGGAXZVMT-IYBDPMFKSA-N 1 0 326.440 3.688 50 0 EHAARO Cc1ncc(C[N@H+](C)C[C@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000051408318 564033204 /nfs/dbraw/zinc/03/32/04/564033204.db2.gz KPFGGSRDWWZYMH-AWEZNQCLSA-N 1 0 330.375 3.636 50 0 EHAARO CC(C)c1nccc(C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000215948745 564033736 /nfs/dbraw/zinc/03/37/36/564033736.db2.gz OEGJARUKJBGKKJ-UHFFFAOYSA-N 1 0 325.456 3.781 50 0 EHAARO c1ccc(CCN(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)Cc2ccccn2)cc1 ZINC000240128275 564051729 /nfs/dbraw/zinc/05/17/29/564051729.db2.gz IPFQXPNCKSTYPI-RBBKRZOGSA-N 1 0 335.495 3.611 50 0 EHAARO CC[C@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccc2c(c1)OCCO2 ZINC000240900747 564051827 /nfs/dbraw/zinc/05/18/27/564051827.db2.gz ITOHAOGVXCHIBC-KRWDZBQOSA-N 1 0 341.455 3.550 50 0 EHAARO CCc1ccccc1NC(=O)CC[N@H+](C)CCc1scnc1C ZINC000244858424 564052366 /nfs/dbraw/zinc/05/23/66/564052366.db2.gz VKXHWYROTOPAQW-UHFFFAOYSA-N 1 0 331.485 3.517 50 0 EHAARO O=C(CC[N@@H+]1CCCC[C@H]1c1ccccn1)Nc1ccccc1F ZINC000252483797 564053385 /nfs/dbraw/zinc/05/33/85/564053385.db2.gz FINQUSWUJONYTJ-SFHVURJKSA-N 1 0 327.403 3.777 50 0 EHAARO Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000052211820 564053876 /nfs/dbraw/zinc/05/38/76/564053876.db2.gz JSBQNWMYEYUZBV-GOSISDBHSA-N 1 0 340.492 3.778 50 0 EHAARO CCc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC3)[NH+](C)C)cc1 ZINC000025382905 564054308 /nfs/dbraw/zinc/05/43/08/564054308.db2.gz JCMZZIHMXJKBIN-NRFANRHFSA-N 1 0 336.479 3.770 50 0 EHAARO CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1C[NH+](C)C ZINC000001421880 564066689 /nfs/dbraw/zinc/06/66/89/564066689.db2.gz WGSCJDJIQRRTPD-UHFFFAOYSA-N 1 0 338.407 3.574 50 0 EHAARO O[C@@H](C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)c1ccccc1Cl ZINC000084501590 564068286 /nfs/dbraw/zinc/06/82/86/564068286.db2.gz JUKXMLWUCHXNJI-BBRMVZONSA-N 1 0 347.846 3.513 50 0 EHAARO COc1ccc(OCC[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000084660904 564069520 /nfs/dbraw/zinc/06/95/20/564069520.db2.gz ULTHZONSOUWKLO-MRXNPFEDSA-N 1 0 337.423 3.611 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000084736160 564069896 /nfs/dbraw/zinc/06/98/96/564069896.db2.gz YDYFHXSTGXRCCL-VEVIJQCQSA-N 1 0 336.426 3.653 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 ZINC000084760848 564070104 /nfs/dbraw/zinc/07/01/04/564070104.db2.gz ZFQDKACNDCLRSY-CABCVRRESA-N 1 0 335.517 3.916 50 0 EHAARO CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCCc2occc21)c1ccccc1 ZINC000084771158 564070125 /nfs/dbraw/zinc/07/01/25/564070125.db2.gz GDKXGTXTHQUTMN-PKOBYXMFSA-N 1 0 326.440 3.856 50 0 EHAARO COc1ccc(C2([NH2+]Cc3ccc([S@](C)=O)cc3)CCCC2)cc1 ZINC000085325028 564072691 /nfs/dbraw/zinc/07/26/91/564072691.db2.gz AHGSAXQATPTUMT-XMMPIXPASA-N 1 0 343.492 3.992 50 0 EHAARO COc1cccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)c1 ZINC000086258407 564075489 /nfs/dbraw/zinc/07/54/89/564075489.db2.gz RQDFNGURVYDWBB-UHFFFAOYSA-N 1 0 340.467 3.512 50 0 EHAARO COc1cccc(NC2CCN(Cc3ccncc3Cl)CC2)c1 ZINC000074992200 564079717 /nfs/dbraw/zinc/07/97/17/564079717.db2.gz XDIZVXOWMBRLEY-UHFFFAOYSA-N 1 0 331.847 3.820 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccco1)c1csc2ccccc21 ZINC000575621068 564083847 /nfs/dbraw/zinc/08/38/47/564083847.db2.gz NKHOCBRTIADSCW-FVNWOWOISA-N 1 0 340.448 3.927 50 0 EHAARO CC(C)C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccccn1 ZINC000090524797 564084624 /nfs/dbraw/zinc/08/46/24/564084624.db2.gz JKXPPPBNQXGMSF-HBMCJLEFSA-N 1 0 345.531 3.526 50 0 EHAARO C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000090667441 564085832 /nfs/dbraw/zinc/08/58/32/564085832.db2.gz RAXBHTJREDDUTB-MAUKXSAKSA-N 1 0 331.504 3.543 50 0 EHAARO CCSC1(C[NH2+][C@H](C)c2nc3ccccc3n2C)CCOCC1 ZINC000091346138 564087499 /nfs/dbraw/zinc/08/74/99/564087499.db2.gz AEYZOKAGEYMMAH-CQSZACIVSA-N 1 0 333.501 3.526 50 0 EHAARO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000089375267 564089948 /nfs/dbraw/zinc/08/99/48/564089948.db2.gz SIWHKQFZCQBYBS-IAQYHMDHSA-N 1 0 342.270 3.941 50 0 EHAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000064590869 564092573 /nfs/dbraw/zinc/09/25/73/564092573.db2.gz CNIDEEABDNHSAQ-UHFFFAOYSA-N 1 0 341.842 3.678 50 0 EHAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590834 564092596 /nfs/dbraw/zinc/09/25/96/564092596.db2.gz AWGDPUSRHXGITJ-UHFFFAOYSA-N 1 0 341.842 3.678 50 0 EHAARO Fc1ccc(N2CC[NH+](CC[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000004632523 564093126 /nfs/dbraw/zinc/09/31/26/564093126.db2.gz UKOCGOXTVCIACM-NRFANRHFSA-N 1 0 340.442 3.652 50 0 in-vitro EHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cc4cc(C)ccc4n3C)[C@H]2C1 ZINC000426658306 564094305 /nfs/dbraw/zinc/09/43/05/564094305.db2.gz IOPDPOGQCZHOHO-SESVDKBCSA-N 1 0 342.483 3.645 50 0 EHAARO Cc1cccc(CNC(=O)C2=CC[N@H+](Cc3cccc(F)c3)CC2)c1 ZINC000064818073 564096518 /nfs/dbraw/zinc/09/65/18/564096518.db2.gz NADMMLYIGXGKCR-UHFFFAOYSA-N 1 0 338.426 3.583 50 0 EHAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000170048066 564105041 /nfs/dbraw/zinc/10/50/41/564105041.db2.gz JIEIZWUKPBHZCQ-OAHLLOKOSA-N 1 0 332.806 3.628 50 0 EHAARO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000065523888 564106934 /nfs/dbraw/zinc/10/69/34/564106934.db2.gz LLNZWBQISBJIQT-LJQANCHMSA-N 1 0 339.439 3.667 50 0 EHAARO Cc1ccc(-c2nc(C(=O)N(C)C3CC[NH+](C)CC3)cs2)c(C)c1 ZINC000065592118 564108002 /nfs/dbraw/zinc/10/80/02/564108002.db2.gz BBIXBRKQQAXDTR-UHFFFAOYSA-N 1 0 343.496 3.593 50 0 EHAARO COc1cccc(C(=O)NC2CC[NH+]([C@H](C)c3occc3C)CC2)c1 ZINC000170601068 564109354 /nfs/dbraw/zinc/10/93/54/564109354.db2.gz GDGUNGTXZQRDFU-OAHLLOKOSA-N 1 0 342.439 3.552 50 0 EHAARO C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(F)cc1F ZINC000170619053 564110160 /nfs/dbraw/zinc/11/01/60/564110160.db2.gz GKZCAWQWTMWJDR-JTQLQIEISA-N 1 0 334.391 3.729 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCC(n2cccc2)CC1 ZINC000249695910 564111687 /nfs/dbraw/zinc/11/16/87/564111687.db2.gz RVDFPKGOWQBTKD-NTFDOXNWSA-N 1 0 343.515 3.695 50 0 EHAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCC(n2cccc2)CC1 ZINC000249695907 564111701 /nfs/dbraw/zinc/11/17/01/564111701.db2.gz RVDFPKGOWQBTKD-GHBBCFCZSA-N 1 0 343.515 3.695 50 0 EHAARO CC(C)[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000089801771 564113936 /nfs/dbraw/zinc/11/39/36/564113936.db2.gz SYINVSXAPVDNCZ-IBGZPJMESA-N 1 0 326.440 3.871 50 0 EHAARO O[C@@H](C[NH2+]CCC1=CCCCC1)CO[C@@H]1CCCc2ccccc21 ZINC000007777152 564123022 /nfs/dbraw/zinc/12/30/22/564123022.db2.gz LGUIMFRNFPBGFE-PZJWPPBQSA-N 1 0 329.484 3.922 50 0 EHAARO COc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000195561710 564123788 /nfs/dbraw/zinc/12/37/88/564123788.db2.gz LEMUDHMFGISJTE-XOKHGSTOSA-N 1 0 331.412 3.604 50 0 EHAARO Cc1cc(N2CCC(CNC(=O)Nc3ccccc3F)CC2)cc[nH+]1 ZINC000244969016 564124079 /nfs/dbraw/zinc/12/40/79/564124079.db2.gz GUDNNDVIAWFAAH-UHFFFAOYSA-N 1 0 342.418 3.567 50 0 EHAARO O=C(NCc1ccccc1)c1cccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000253370505 564130308 /nfs/dbraw/zinc/13/03/08/564130308.db2.gz RQMYPROBRWNRTK-RTWAWAEBSA-N 1 0 349.478 3.655 50 0 EHAARO c1ccc2oc(C3CC[NH+](CCCO[C@H]4CCCCO4)CC3)nc2c1 ZINC000328586377 564136500 /nfs/dbraw/zinc/13/65/00/564136500.db2.gz FVKDUSDTVPDZPM-IBGZPJMESA-N 1 0 344.455 3.941 50 0 EHAARO CCC(=O)N1CCC([NH2+]C[C@@H](SC)c2cccc(Cl)c2)CC1 ZINC000095410515 564139674 /nfs/dbraw/zinc/13/96/74/564139674.db2.gz YTYHNSOFIIBVPZ-MRXNPFEDSA-N 1 0 340.920 3.735 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]CCCc2nc(C)cs2)cc1NC(C)=O ZINC000095421645 564140066 /nfs/dbraw/zinc/14/00/66/564140066.db2.gz NEOPWAVGUGZECF-CYBMUJFWSA-N 1 0 347.484 3.702 50 0 EHAARO C[C@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccco1 ZINC000095422920 564140164 /nfs/dbraw/zinc/14/01/64/564140164.db2.gz FLBLNEYTWAWAHN-IRXDYDNUSA-N 1 0 328.456 3.830 50 0 EHAARO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(Br)s1 ZINC000095422940 564140181 /nfs/dbraw/zinc/14/01/81/564140181.db2.gz HVCZKYUEJZQQIK-WCBMZHEXSA-N 1 0 332.288 3.956 50 0 EHAARO COc1cccc(CN(C)[C@@H](c2ccc(F)cc2)c2ncccn2)c1 ZINC000095431944 564140341 /nfs/dbraw/zinc/14/03/41/564140341.db2.gz YFLROEDJYNVZKM-IBGZPJMESA-N 1 0 337.398 3.846 50 0 EHAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1)CC2 ZINC000095443058 564140537 /nfs/dbraw/zinc/14/05/37/564140537.db2.gz BALSJXWZVZCCSF-DNVCBOLYSA-N 1 0 340.515 3.667 50 0 EHAARO COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](C)c2cccc(Cl)c2)c1 ZINC000095452897 564140575 /nfs/dbraw/zinc/14/05/75/564140575.db2.gz PTIXUMXLHIOPHJ-ACJLOTCBSA-N 1 0 349.858 3.784 50 0 EHAARO C[NH+](C)CC1(CNC(=O)c2ccccc2C(F)(F)F)CCCC1 ZINC000095940144 564141973 /nfs/dbraw/zinc/14/19/73/564141973.db2.gz XBXDSDIKWNEZNH-UHFFFAOYSA-N 1 0 328.378 3.557 50 0 EHAARO C[C@@H]([NH2+][C@H](C)C1(N2CCOCC2)CCCC1)c1c(F)cccc1F ZINC000095941421 564142054 /nfs/dbraw/zinc/14/20/54/564142054.db2.gz LXYVSSNOEAEFRV-HUUCEWRRSA-N 1 0 338.442 3.649 50 0 EHAARO COC(=O)c1cccc(NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000095950540 564142352 /nfs/dbraw/zinc/14/23/52/564142352.db2.gz NXSMYJCOQQZXGM-UHFFFAOYSA-N 1 0 338.451 3.592 50 0 EHAARO c1ccn2c(c1)nnc2C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000095958655 564142645 /nfs/dbraw/zinc/14/26/45/564142645.db2.gz RRPPUVUMGWDGFS-IBGZPJMESA-N 1 0 332.451 3.986 50 0 EHAARO CSc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000095969302 564143374 /nfs/dbraw/zinc/14/33/74/564143374.db2.gz MADDTSTXEQNBEO-CQSZACIVSA-N 1 0 349.521 3.971 50 0 EHAARO CC(C)N(C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095977823 564143585 /nfs/dbraw/zinc/14/35/85/564143585.db2.gz FFKSPTIXWZPDAW-CZUORRHYSA-N 1 0 341.858 3.522 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000095988575 564144050 /nfs/dbraw/zinc/14/40/50/564144050.db2.gz FZAKBZCRUWGAPS-OALUTQOASA-N 1 0 346.377 3.543 50 0 EHAARO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1O ZINC000095995989 564144239 /nfs/dbraw/zinc/14/42/39/564144239.db2.gz YDNNGSZZQZWIST-CABCVRRESA-N 1 0 345.405 3.857 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096409953 564147553 /nfs/dbraw/zinc/14/75/53/564147553.db2.gz JSNCTWAZEPCIQY-ZBFHGGJFSA-N 1 0 340.389 3.615 50 0 EHAARO Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccco2)c(OCC[NH+](C)C)c1 ZINC000096416036 564147776 /nfs/dbraw/zinc/14/77/76/564147776.db2.gz UZVSIECJQXALJU-HNNXBMFYSA-N 1 0 345.443 3.753 50 0 EHAARO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)n1cccn1)C1CCOCC1 ZINC000096479139 564148535 /nfs/dbraw/zinc/14/85/35/564148535.db2.gz MQOIBUWZIAIBDU-KBXCAEBGSA-N 1 0 333.863 3.531 50 0 EHAARO C[C@@H](Cc1ccsc1)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000096478060 564148549 /nfs/dbraw/zinc/14/85/49/564148549.db2.gz KUXXAOYPXGXORU-INIZCTEOSA-N 1 0 342.508 3.821 50 0 EHAARO CCOc1cccc(CNc2ccc(NC(=O)CC[NH+](C)C)cc2)c1 ZINC000096482817 564148598 /nfs/dbraw/zinc/14/85/98/564148598.db2.gz ZHKLHCVGSZECJM-UHFFFAOYSA-N 1 0 341.455 3.588 50 0 EHAARO COc1ccc(C2([NH2+]Cc3cc(F)cc(F)c3)CCOCC2)cc1 ZINC000097021694 564149143 /nfs/dbraw/zinc/14/91/43/564149143.db2.gz ONARBJGQMCXKIQ-UHFFFAOYSA-N 1 0 333.378 3.769 50 0 EHAARO Cn1nccc1CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285027688 564149457 /nfs/dbraw/zinc/14/94/57/564149457.db2.gz MUYZQCDDZIMJFF-LJQANCHMSA-N 1 0 335.455 3.580 50 0 EHAARO C[N@H+](CCCNC(=O)c1cc(Cl)c(Cl)[nH]1)C1CCCCC1 ZINC000097292129 564149599 /nfs/dbraw/zinc/14/95/99/564149599.db2.gz LTSLWDWGHVVLLX-UHFFFAOYSA-N 1 0 332.275 3.706 50 0 EHAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1c1ccncc1 ZINC000057154192 564153325 /nfs/dbraw/zinc/15/33/25/564153325.db2.gz XVGHNTYXVVEIBU-OAQYLSRUSA-N 1 0 349.478 3.657 50 0 EHAARO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)cc1 ZINC000057473982 564154444 /nfs/dbraw/zinc/15/44/44/564154444.db2.gz IAZWOUYMVLKEFJ-INIZCTEOSA-N 1 0 348.446 3.815 50 0 EHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000003216041 564156085 /nfs/dbraw/zinc/15/60/85/564156085.db2.gz BDDFHKQCQVEDIO-LJQANCHMSA-N 1 0 327.468 3.990 50 0 EHAARO Cc1cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc(C(C)C)c1 ZINC000003264953 564156752 /nfs/dbraw/zinc/15/67/52/564156752.db2.gz MFSFAIBGVJXGNV-NRFANRHFSA-N 1 0 339.479 3.916 50 0 EHAARO CN(C(=O)c1cc(-c2ccco2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000003274989 564156861 /nfs/dbraw/zinc/15/68/61/564156861.db2.gz SUNAPCORDBCHPO-UHFFFAOYSA-N 1 0 349.434 3.661 50 0 EHAARO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003338043 564157439 /nfs/dbraw/zinc/15/74/39/564157439.db2.gz NLBDZWGOFVSXFD-GOSISDBHSA-N 1 0 336.479 3.646 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=S)NC1CCCCC1 ZINC000003999393 564159933 /nfs/dbraw/zinc/15/99/33/564159933.db2.gz JDKKNZCTQZVUAU-PKOBYXMFSA-N 1 0 343.540 3.810 50 0 biogenic EHAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000038361492 564164279 /nfs/dbraw/zinc/16/42/79/564164279.db2.gz ZBIVRUVVGCTWPK-KBXCAEBGSA-N 1 0 345.487 3.604 50 0 EHAARO CCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008714127 564166642 /nfs/dbraw/zinc/16/66/42/564166642.db2.gz IZZWIWUVASGRKK-ZDUSSCGKSA-N 1 0 342.439 3.657 50 0 EHAARO c1coc([C@H](CNc2ncnc3sccc32)[NH+]2CCCCC2)c1 ZINC000008735149 564167135 /nfs/dbraw/zinc/16/71/35/564167135.db2.gz FRFUTOCWFKFSIP-AWEZNQCLSA-N 1 0 328.441 3.923 50 0 EHAARO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000068718192 564167635 /nfs/dbraw/zinc/16/76/35/564167635.db2.gz GUSPVNZQCIRZLJ-NWDGAFQWSA-N 1 0 329.271 3.553 50 0 EHAARO CC[NH+](CC)CCn1cc(NC(=O)Nc2ccc(Cl)cc2)cn1 ZINC000040152972 564168418 /nfs/dbraw/zinc/16/84/18/564168418.db2.gz ZSBLJGMAOLFRAJ-UHFFFAOYSA-N 1 0 335.839 3.522 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1OCc1cccnc1)[C@H](C)n1cccn1 ZINC000069415995 564169230 /nfs/dbraw/zinc/16/92/30/564169230.db2.gz CGDRNNCNMVMATP-SJORKVTESA-N 1 0 336.439 3.596 50 0 EHAARO CC1CC[NH+](CCCCNC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000042861446 564175625 /nfs/dbraw/zinc/17/56/25/564175625.db2.gz MLNAJDKGIJZZCR-UHFFFAOYSA-N 1 0 337.895 3.651 50 0 EHAARO CC1(C)CC(NC(=O)c2ccc3c4c(cccc42)CC3)CC(C)(C)[NH2+]1 ZINC000010405108 564175652 /nfs/dbraw/zinc/17/56/52/564175652.db2.gz MZCSFPXSATVLLG-UHFFFAOYSA-N 1 0 336.479 3.977 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(N3CCCCC3=O)cc2)s1 ZINC000090404231 1032404787 /nfs/dbraw/zinc/40/47/87/1032404787.db2.gz YVDPIUSTCBCWMM-CYBMUJFWSA-N 1 0 329.469 3.819 50 0 EHAARO COc1cc([C@@H](C)[NH2+]C2(C(C)C)CC2)ccc1S(=O)(=O)C(F)F ZINC000293737765 1017410871 /nfs/dbraw/zinc/41/08/71/1017410871.db2.gz OYJXSOSMGZYCJM-LLVKDONJSA-N 1 0 347.427 3.531 50 0 EHAARO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000072314106 1018793173 /nfs/dbraw/zinc/79/31/73/1018793173.db2.gz APIBAPAPFRNTGG-RXVVDRJESA-N 1 0 346.478 3.797 50 0 EHAARO CC(=O)NCc1ccc(-c2nc(C3C=CC=CC3=[NH2+])sc2C)s1 ZINC000018230178 1023114716 /nfs/dbraw/zinc/11/47/16/1023114716.db2.gz VAZMOOQKLPMFNW-QOPSANPBSA-N 1 0 343.477 3.766 50 0 EHAARO Cc1ccc(O)c(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)n1 ZINC000106251469 1025080295 /nfs/dbraw/zinc/08/02/95/1025080295.db2.gz QXMFEWZIFPWRGD-UHFFFAOYSA-N 1 0 346.858 3.587 50 0 EHAARO COc1cc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)ccc1C ZINC000194345675 1025822680 /nfs/dbraw/zinc/82/26/80/1025822680.db2.gz IBCBXWNQVXDSSU-UHFFFAOYSA-N 1 0 329.415 3.938 50 0 EHAARO Cc1csc(C[N@@H+](C)[C@@H]2CCC(=O)N(CCCC(C)C)CC2)n1 ZINC000023310581 1035073117 /nfs/dbraw/zinc/07/31/17/1035073117.db2.gz KYHYWXMQJFJOSM-MRXNPFEDSA-N 1 0 337.533 3.701 50 0 EHAARO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@@H]3CCCOCC3)cc2C1 ZINC000310822958 1036485413 /nfs/dbraw/zinc/48/54/13/1036485413.db2.gz HADSDHFREMIKGN-GOSISDBHSA-N 1 0 346.471 3.596 50 0 EHAARO COc1ccc(CC[NH2+][C@H](C)CCc2ccc(O)cc2)cc1OC ZINC000023283016 1043001766 /nfs/dbraw/zinc/00/17/66/1043001766.db2.gz QHJPNAYLIFGVDK-OAHLLOKOSA-N 1 0 329.440 3.563 50 0 EHAARO CCOc1ccc2c(c1)[C@H](Nc1cc(C)nc(C3CC3)n1)CCO2 ZINC000185939979 1127205394 /nfs/dbraw/zinc/20/53/94/1127205394.db2.gz RFNLFKZTAPZGKB-MRXNPFEDSA-N 1 0 325.412 3.997 50 0 EHAARO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000449295181 1128019051 /nfs/dbraw/zinc/01/90/51/1128019051.db2.gz QJEVDNQBVGVYIK-GGPKGHCWSA-N 1 0 348.918 3.899 50 0 EHAARO C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000170871379 1123895419 /nfs/dbraw/zinc/89/54/19/1123895419.db2.gz JQNPENBAWFIKOB-LBPRGKRZSA-N 1 0 340.389 3.757 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000575547125 1131572103 /nfs/dbraw/zinc/57/21/03/1131572103.db2.gz XDVUZTLRAZHBKR-SFHVURJKSA-N 1 0 341.430 3.614 50 0 EHAARO COc1ccccc1C(=O)N1CCCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000581788246 1132356641 /nfs/dbraw/zinc/35/66/41/1132356641.db2.gz ZATMWGWNFWRRMG-GOSISDBHSA-N 1 0 344.499 3.812 50 0 EHAARO C[C@@](CO)(C[NH2+]Cc1ccccc1OCC1CC1)c1ccccc1 ZINC000585083628 1136970042 /nfs/dbraw/zinc/97/00/42/1136970042.db2.gz TVGMOPXMZKDHCG-NRFANRHFSA-N 1 0 325.452 3.515 50 0 EHAARO Cc1[nH]c2ccccc2c1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000585129951 1137019462 /nfs/dbraw/zinc/01/94/62/1137019462.db2.gz CSRUBZHXYWIEJT-KRWDZBQOSA-N 1 0 348.450 3.722 50 0 EHAARO O=C(c1cccc2cccc(O)c21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000630077318 1137298112 /nfs/dbraw/zinc/29/81/12/1137298112.db2.gz OGJNZYFIVXIMBG-KRWDZBQOSA-N 1 0 338.451 3.636 50 0 EHAARO COc1ccccc1N1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192785057 1137456570 /nfs/dbraw/zinc/45/65/70/1137456570.db2.gz BXDXKOCBPQHJCE-QGZVFWFLSA-N 1 0 326.440 3.924 50 0 EHAARO COc1ccc(F)c(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000512637916 1137477477 /nfs/dbraw/zinc/47/74/77/1137477477.db2.gz AQCOUOGGYIHGEC-UHFFFAOYSA-N 1 0 347.405 3.543 50 0 EHAARO C[N@H+](CCCOc1ccccc1Cl)C1CSCCSC1 ZINC000952873926 1137483203 /nfs/dbraw/zinc/48/32/03/1137483203.db2.gz RALIDHKAGUMTSU-UHFFFAOYSA-N 1 0 331.934 3.889 50 0 EHAARO [NH3+]C1(C(=O)Nc2ccccc2OCCCc2ccccc2)CCCC1 ZINC000952977382 1137484862 /nfs/dbraw/zinc/48/48/62/1137484862.db2.gz AWHVTBYJQTWDJY-UHFFFAOYSA-N 1 0 338.451 3.908 50 0 EHAARO CC(C)c1ncc(C[NH2+]CCCc2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000952982868 1137485348 /nfs/dbraw/zinc/48/53/48/1137485348.db2.gz RKFVASIAOMCNCA-UHFFFAOYSA-N 1 0 343.862 3.852 50 0 EHAARO Cc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000012439813 201846810 /nfs/dbraw/zinc/84/68/10/201846810.db2.gz GPISMHOZYOQRTE-OAQYLSRUSA-N 1 0 327.443 3.951 50 0 EHAARO CCn1nc(C)c(C[NH2+]Cc2csc(Br)c2)c1C ZINC000066995633 215102716 /nfs/dbraw/zinc/10/27/16/215102716.db2.gz LGSIJNHXMNOIFM-UHFFFAOYSA-N 1 0 328.279 3.634 50 0 EHAARO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(CCc1ccccc1)C2=O ZINC000019744492 202017782 /nfs/dbraw/zinc/01/77/82/202017782.db2.gz LYLWYSHPZSHOHR-NRFANRHFSA-N 1 0 328.500 3.590 50 0 EHAARO Brc1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019788502 202020623 /nfs/dbraw/zinc/02/06/23/202020623.db2.gz DZMYYDXBIXXGTO-MRXNPFEDSA-N 1 0 349.316 3.923 50 0 EHAARO CCN(CC)CC[NH2+][C@H](Cc1ccccc1)c1cccc(OC)c1 ZINC000019864779 202023620 /nfs/dbraw/zinc/02/36/20/202023620.db2.gz WPFWQZMEWMXGFF-OAQYLSRUSA-N 1 0 326.484 3.910 50 0 EHAARO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OC ZINC000019872039 202024066 /nfs/dbraw/zinc/02/40/66/202024066.db2.gz SWZPWNPQKJYDCW-MRXNPFEDSA-N 1 0 335.831 3.571 50 0 EHAARO Cc1cnc(C)nc1-c1cccc(-c2ccn(CCC[NH+](C)C)n2)c1 ZINC000020117794 202032791 /nfs/dbraw/zinc/03/27/91/202032791.db2.gz OJAALBTVFISPID-UHFFFAOYSA-N 1 0 335.455 3.576 50 0 EHAARO C[N@@H+]1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000020254668 202036774 /nfs/dbraw/zinc/03/67/74/202036774.db2.gz WGAROTJWDYWRCA-UHFFFAOYSA-N 1 0 334.341 3.946 50 0 EHAARO Fc1ccc(-c2ccc(C[NH2+][C@H]3CN4CCC3CC4)o2)cc1Cl ZINC000020477349 202044130 /nfs/dbraw/zinc/04/41/30/202044130.db2.gz ASYRTUIOWORHKC-KRWDZBQOSA-N 1 0 334.822 3.923 50 0 EHAARO COc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000020472871 202044139 /nfs/dbraw/zinc/04/41/39/202044139.db2.gz FDMQLKLVORZYDG-GOSISDBHSA-N 1 0 344.499 3.541 50 0 EHAARO CCc1cccc(OCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020500029 202045961 /nfs/dbraw/zinc/04/59/61/202045961.db2.gz YYCZGRRVIBCKJL-UHFFFAOYSA-N 1 0 338.495 3.836 50 0 EHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cc(OC)ccc1OC ZINC000021720942 202069082 /nfs/dbraw/zinc/06/90/82/202069082.db2.gz DUTPFMYNZPBTHO-MRXNPFEDSA-N 1 0 330.428 3.900 50 0 EHAARO O=C(/C=C/c1ccco1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023763036 202108205 /nfs/dbraw/zinc/10/82/05/202108205.db2.gz NDGOBTOHMQFFDJ-ZHACJKMWSA-N 1 0 346.430 3.790 50 0 EHAARO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)sc1C ZINC000024114871 202113838 /nfs/dbraw/zinc/11/38/38/202113838.db2.gz QHTNMNKTRFIBGF-UHFFFAOYSA-N 1 0 328.481 3.891 50 0 EHAARO CC(C)(CNC(=O)c1cc2ccccc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000025898207 202136728 /nfs/dbraw/zinc/13/67/28/202136728.db2.gz BPVFSCKGSUUZKH-UHFFFAOYSA-N 1 0 347.462 3.735 50 0 EHAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2F)c1 ZINC000026907215 202150873 /nfs/dbraw/zinc/15/08/73/202150873.db2.gz UGHNMSXPWFTCHD-RTBURBONSA-N 1 0 345.414 3.713 50 0 EHAARO CN(C(=O)C[N@H+](C)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000027782488 202160410 /nfs/dbraw/zinc/16/04/10/202160410.db2.gz LBNSSJCITYZJHU-UHFFFAOYSA-N 1 0 326.484 3.798 50 0 EHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1Cl ZINC000027604165 202157369 /nfs/dbraw/zinc/15/73/69/202157369.db2.gz SBMCAZYHWKEKJW-HNNXBMFYSA-N 1 0 334.872 3.968 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1OC)c1ccccc1 ZINC000028291907 202169599 /nfs/dbraw/zinc/16/95/99/202169599.db2.gz PJCLMHIAPHCYTO-GOSISDBHSA-N 1 0 326.440 3.508 50 0 EHAARO c1ccc(C[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)nc1 ZINC000030639878 202197297 /nfs/dbraw/zinc/19/72/97/202197297.db2.gz HNOQCYDHECOXJX-UHFFFAOYSA-N 1 0 329.447 3.934 50 0 EHAARO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)[C@H]([NH3+])C1 ZINC000032629357 202228872 /nfs/dbraw/zinc/22/88/72/202228872.db2.gz RTJJYHPRGIOAQC-UONOGXRCSA-N 1 0 344.377 3.757 50 0 EHAARO CC(C)(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000032744832 202231674 /nfs/dbraw/zinc/23/16/74/202231674.db2.gz FFGRQHVBMBXZFC-UHFFFAOYSA-N 1 0 336.479 3.876 50 0 EHAARO CCc1ccc([C@H](CNC(=O)c2cc(C)sc2C)[NH+](C)C)cc1 ZINC000032733486 202230979 /nfs/dbraw/zinc/23/09/79/202230979.db2.gz MIIXHISBKGRKGW-SFHVURJKSA-N 1 0 330.497 3.960 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000032912069 202241958 /nfs/dbraw/zinc/24/19/58/202241958.db2.gz PRDDOLCVXYLAGN-MRXNPFEDSA-N 1 0 346.833 3.874 50 0 EHAARO [NH3+]CCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000033359232 202259448 /nfs/dbraw/zinc/25/94/48/202259448.db2.gz WVLHHLRVNDMIAR-IBGZPJMESA-N 1 0 349.482 3.576 50 0 investigational EHAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000069585701 202286196 /nfs/dbraw/zinc/28/61/96/202286196.db2.gz UDLCVVUVZHRAIT-PMACEKPBSA-N 1 0 339.483 3.576 50 0 EHAARO Cc1c(C[NH2+][C@H]2CCCc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000035404023 202302347 /nfs/dbraw/zinc/30/23/47/202302347.db2.gz LZMLLWOOFIFMAF-NRFANRHFSA-N 1 0 347.462 3.652 50 0 EHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036095169 202314399 /nfs/dbraw/zinc/31/43/99/202314399.db2.gz CXVLPAIUQQBNFK-FQEVSTJZSA-N 1 0 327.468 3.757 50 0 EHAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C(C)C ZINC000036104140 202315835 /nfs/dbraw/zinc/31/58/35/202315835.db2.gz DOAMTWTZGCEJPY-GOSISDBHSA-N 1 0 349.421 3.924 50 0 EHAARO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000072285951 202362691 /nfs/dbraw/zinc/36/26/91/202362691.db2.gz XNEFUUNKYWTMID-MRXNPFEDSA-N 1 0 329.469 3.572 50 0 EHAARO C[N@H+](CC(=O)N1CCCC[C@H]1c1nc(C(C)(C)C)cs1)C1CC1 ZINC000076051393 202385316 /nfs/dbraw/zinc/38/53/16/202385316.db2.gz JZEXKOJACXNTBC-AWEZNQCLSA-N 1 0 335.517 3.588 50 0 EHAARO O=C(CC1=CCCCC1)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000075416147 202381472 /nfs/dbraw/zinc/38/14/72/202381472.db2.gz RFVGCGKGVUNOST-UHFFFAOYSA-N 1 0 342.483 3.515 50 0 EHAARO Fc1cc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)cc(F)c1F ZINC000076396650 202388382 /nfs/dbraw/zinc/38/83/82/202388382.db2.gz NBIOSVRFODAFOX-UHFFFAOYSA-N 1 0 331.341 3.639 50 0 EHAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000000340372 201357241 /nfs/dbraw/zinc/35/72/41/201357241.db2.gz GZIISXIDAZYOLI-GOSISDBHSA-N 1 0 337.419 3.520 50 0 biogenic,in-man EHAARO Cn1cc(C[NH2+][C@H]2CCSc3ccccc32)c(-c2ccncc2)n1 ZINC000097159703 201378851 /nfs/dbraw/zinc/37/88/51/201378851.db2.gz ALWFLBMZJYRHTP-KRWDZBQOSA-N 1 0 336.464 3.809 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)nc2ccc(Cl)cn12 ZINC000044977631 202542352 /nfs/dbraw/zinc/54/23/52/202542352.db2.gz AJLZBMKLYLGBHF-HNNXBMFYSA-N 1 0 345.855 3.747 50 0 EHAARO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000048299698 202598367 /nfs/dbraw/zinc/59/83/67/202598367.db2.gz AYJDEIVZHQLWCW-QGZVFWFLSA-N 1 0 331.437 3.751 50 0 EHAARO Cc1cccc2cc(C(=O)NCCCC[NH+]3CCC(C)CC3)oc21 ZINC000058391760 202763994 /nfs/dbraw/zinc/76/39/94/202763994.db2.gz UEIRHLWOVBUJFV-UHFFFAOYSA-N 1 0 328.456 3.983 50 0 EHAARO COc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000022784717 212323290 /nfs/dbraw/zinc/32/32/90/212323290.db2.gz KIKDHBHAMGRPIH-NSHDSACASA-N 1 0 337.366 3.841 50 0 EHAARO Cc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000000193848 201446334 /nfs/dbraw/zinc/44/63/34/201446334.db2.gz NWAPEPJZJARYHX-OXFYSEKESA-N 1 0 343.491 3.778 50 0 EHAARO Cc1ccccc1-c1ncc(C[NH+]2CCC3(COC(=O)O3)CC2)s1 ZINC000215168269 241112157 /nfs/dbraw/zinc/11/21/57/241112157.db2.gz PIYRZUWCKMNINR-UHFFFAOYSA-N 1 0 344.436 3.620 50 0 EHAARO C[N@@H+](Cc1cnc(C2CCCCC2)nc1)C[C@H](O)c1ccccc1 ZINC000215492812 241127890 /nfs/dbraw/zinc/12/78/90/241127890.db2.gz JBMUJBUFGYWXDR-IBGZPJMESA-N 1 0 325.456 3.690 50 0 EHAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000215566213 241130651 /nfs/dbraw/zinc/13/06/51/241130651.db2.gz JWSRRGAVEAYJBN-JOCHJYFZSA-N 1 0 347.462 3.583 50 0 EHAARO CC[n+]1c(C)cc(C)n1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000005333454 201647628 /nfs/dbraw/zinc/64/76/28/201647628.db2.gz IPGPSPQOELSHEP-SFHVURJKSA-N 1 0 348.470 3.581 50 0 EHAARO c1coc(CCC[NH+]2CCN(c3nsc4ccccc43)CC2)c1 ZINC000243893784 243028870 /nfs/dbraw/zinc/02/88/70/243028870.db2.gz AUFHUEUXVKXNMF-UHFFFAOYSA-N 1 0 327.453 3.644 50 0 EHAARO COc1ccc(C[N@H+](C)Cc2cn3ccc(C)cc3n2)c2cccnc12 ZINC000244811631 243084082 /nfs/dbraw/zinc/08/40/82/243084082.db2.gz SICVTTGUUVCIJI-UHFFFAOYSA-N 1 0 346.434 3.832 50 0 EHAARO c1ncn(C2CCCCC2)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000244884246 243097180 /nfs/dbraw/zinc/09/71/80/243097180.db2.gz YIIFFOUVMFQDGX-UHFFFAOYSA-N 1 0 330.520 3.839 50 0 EHAARO Cc1cc(C(=O)Nc2cc(F)ccc2Cl)c(C)n1CC[NH+](C)C ZINC000065178069 202826638 /nfs/dbraw/zinc/82/66/38/202826638.db2.gz UKGOOBAXUHLPLG-UHFFFAOYSA-N 1 0 337.826 3.711 50 0 EHAARO Cc1cccc(C2=CCN(C(=O)c3ccnc(-n4ccnc4)c3)CC2)c1 ZINC000092695866 203086719 /nfs/dbraw/zinc/08/67/19/203086719.db2.gz YSNWLXKSPUIMHE-UHFFFAOYSA-N 1 0 344.418 3.505 50 0 EHAARO CSc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CO)C3)c(C)o2)cc1 ZINC000071479558 203099195 /nfs/dbraw/zinc/09/91/95/203099195.db2.gz DCADMCKJEIAFCS-AWEZNQCLSA-N 1 0 332.469 3.576 50 0 EHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000072151377 203172616 /nfs/dbraw/zinc/17/26/16/203172616.db2.gz JOZKRCGBVOSWBI-MVHVFESUSA-N 1 0 338.451 3.785 50 0 EHAARO Cc1cccc([C@H](CNc2cc(C(C)C)nc3ccnn32)[NH+](C)C)c1 ZINC000072472865 203230628 /nfs/dbraw/zinc/23/06/28/203230628.db2.gz HLAPVBQAWDIMMU-SFHVURJKSA-N 1 0 337.471 3.876 50 0 EHAARO Cc1ncsc1CC[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000072427283 203221954 /nfs/dbraw/zinc/22/19/54/203221954.db2.gz SPBASSVIWXIUPW-UHFFFAOYSA-N 1 0 330.432 3.655 50 0 EHAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077303153 203377764 /nfs/dbraw/zinc/37/77/64/203377764.db2.gz NUJHLHXPXACRET-HXUWFJFHSA-N 1 0 349.482 3.822 50 0 EHAARO C[NH+](C)Cc1csc(-c2nccn2Cc2cc(C3CC3)on2)c1 ZINC000077302680 203378907 /nfs/dbraw/zinc/37/89/07/203378907.db2.gz RTUDZGWHDZIDTI-UHFFFAOYSA-N 1 0 328.441 3.587 50 0 EHAARO C[C@@H](c1nccn1CCCOC1CC[NH+](C)CC1)c1ccccc1 ZINC000077454907 203389681 /nfs/dbraw/zinc/38/96/81/203389681.db2.gz GXWDQZVJFZJBHX-QGZVFWFLSA-N 1 0 327.472 3.536 50 0 EHAARO CC(=O)N[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@H]1c1ccc(C)cc1 ZINC000077486789 203391132 /nfs/dbraw/zinc/39/11/32/203391132.db2.gz XRLPHLUJNAUPGG-LEWJYISDSA-N 1 0 348.446 3.845 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](CC)C1 ZINC000089948846 203606042 /nfs/dbraw/zinc/60/60/42/203606042.db2.gz ZZOTZXQRPSQNCS-YJBOKZPZSA-N 1 0 328.456 3.868 50 0 EHAARO CC(C)[C@@H]1CN(Cc2ccc3cccc(Cl)c3n2)C[C@H]1[NH+](C)C ZINC000091469023 203636411 /nfs/dbraw/zinc/63/64/11/203636411.db2.gz YISLNKGODODKRX-FUHWJXTLSA-N 1 0 331.891 3.906 50 0 EHAARO CCC(CC)C[NH+]1CCC2(C[C@@H](NC(=O)OC(C)(C)C)CO2)CC1 ZINC000091690315 203646901 /nfs/dbraw/zinc/64/69/01/203646901.db2.gz ZIFUMSWKBPRPBV-MRXNPFEDSA-N 1 0 340.508 3.571 50 0 EHAARO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000105870595 204173319 /nfs/dbraw/zinc/17/33/19/204173319.db2.gz PPUJVWBPSGBIEB-MSOLQXFVSA-N 1 0 340.467 3.572 50 0 EHAARO CN(C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)C1CC[NH2+]CC1 ZINC000237108115 204380325 /nfs/dbraw/zinc/38/03/25/204380325.db2.gz XMBIIQRZRAOFSU-UHFFFAOYSA-N 1 0 346.377 3.581 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1ccc(NCc2cccc(C)c2)cc1 ZINC000170600376 206582971 /nfs/dbraw/zinc/58/29/71/206582971.db2.gz IBLLFWFZHZIPDU-UHFFFAOYSA-N 1 0 339.483 3.679 50 0 EHAARO CC1(C)COC2(CC[NH+](Cc3ccc4ccccc4n3)CC2)OC1 ZINC000095398979 218332119 /nfs/dbraw/zinc/33/21/19/218332119.db2.gz QMOMGJWCZWRWNV-UHFFFAOYSA-N 1 0 326.440 3.600 50 0 EHAARO CC(C)S(=O)(=O)CCC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000095412397 218350026 /nfs/dbraw/zinc/35/00/26/218350026.db2.gz NODVDRMDYJZDIY-UHFFFAOYSA-N 1 0 348.512 3.561 50 0 EHAARO Cc1cccc(C)c1OC[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000095420801 218362029 /nfs/dbraw/zinc/36/20/29/218362029.db2.gz KSSOGABAUKOWFF-KRWDZBQOSA-N 1 0 346.515 3.697 50 0 EHAARO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccc2ccccc2n1 ZINC000095422224 218363956 /nfs/dbraw/zinc/36/39/56/218363956.db2.gz KLFZYGPTEBLUNK-HRAATJIYSA-N 1 0 347.462 3.585 50 0 EHAARO C[C@H](NC1(C[NH2+]C(C2CC2)C2CC2)CCOCC1)c1ccccc1 ZINC000095422918 218365182 /nfs/dbraw/zinc/36/51/82/218365182.db2.gz UOJRYGFLSUNBGV-INIZCTEOSA-N 1 0 328.500 3.665 50 0 EHAARO COc1cc([C@@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)ccc1F ZINC000095453752 218397316 /nfs/dbraw/zinc/39/73/16/218397316.db2.gz GLBHYJFYPBSCGG-OCCSQVGLSA-N 1 0 328.387 3.611 50 0 EHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3[nH]c4ccc(F)cc4c3C)[C@H]2C1 ZINC000299782469 258090616 /nfs/dbraw/zinc/09/06/16/258090616.db2.gz VUAHUUYVLSIKEE-RYGJVYDSSA-N 1 0 346.446 3.774 50 0 EHAARO O=C(CC1=CCCC1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000299786186 258092822 /nfs/dbraw/zinc/09/28/22/258092822.db2.gz MNRJFBLXOBUKLJ-UHFFFAOYSA-N 1 0 334.410 3.546 50 0 EHAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCc2c(Cl)cccc2C1 ZINC000299791201 258096836 /nfs/dbraw/zinc/09/68/36/258096836.db2.gz CRXJFQCGSSKFRE-UHFFFAOYSA-N 1 0 344.842 3.727 50 0 EHAARO Fc1ccccc1-c1cnc(-c2cccnc2)nc1[C@H]1CCC[NH2+]C1 ZINC000299799779 258102984 /nfs/dbraw/zinc/10/29/84/258102984.db2.gz ZZLSWVHXRVAXBB-AWEZNQCLSA-N 1 0 334.398 3.812 50 0 EHAARO CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000299760544 258077763 /nfs/dbraw/zinc/07/77/63/258077763.db2.gz WEVSTUXUEVJGTA-SFHVURJKSA-N 1 0 326.444 3.936 50 0 EHAARO CC(C)[C@H](C)NC(=O)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000078808690 132817074 /nfs/dbraw/zinc/81/70/74/132817074.db2.gz VCWKQAYFRVQTFK-AWEZNQCLSA-N 1 0 343.446 3.751 50 0 EHAARO COCC[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000003000493 523935899 /nfs/dbraw/zinc/93/58/99/523935899.db2.gz OYVWWSISHPNRGT-UHFFFAOYSA-N 1 0 329.440 3.661 50 0 EHAARO Cc1ccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C(C)C)cc1 ZINC000036101788 524417728 /nfs/dbraw/zinc/41/77/28/524417728.db2.gz QJJOOSHKDRYGHV-NRFANRHFSA-N 1 0 327.468 3.783 50 0 EHAARO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(Br)s1 ZINC000252487165 525593372 /nfs/dbraw/zinc/59/33/72/525593372.db2.gz UADHLPVMVFHVLI-TURKWSHLSA-N 1 0 338.270 3.820 50 0 EHAARO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000000240074 563265055 /nfs/dbraw/zinc/26/50/55/563265055.db2.gz SZDPHVGUAPKJRH-UHFFFAOYSA-N 1 0 340.467 3.725 50 0 EHAARO CC(C)c1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000302910 563276344 /nfs/dbraw/zinc/27/63/44/563276344.db2.gz VATRAHIJCSTEDX-UHFFFAOYSA-N 1 0 332.488 3.614 50 0 EHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccccc1 ZINC000000360157 563293355 /nfs/dbraw/zinc/29/33/55/563293355.db2.gz QFUOWZOXYYUTPI-SFHVURJKSA-N 1 0 327.424 3.543 50 0 EHAARO COc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003537954 563486455 /nfs/dbraw/zinc/48/64/55/563486455.db2.gz LAAARUORLAAUSI-UHFFFAOYSA-N 1 0 338.451 3.588 50 0 EHAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccccc1F ZINC000004998014 563518163 /nfs/dbraw/zinc/51/81/63/563518163.db2.gz XYZHLPQTEAIRDD-KRWDZBQOSA-N 1 0 345.414 3.682 50 0 EHAARO O=C(Nc1ccc(F)cc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005063111 563520480 /nfs/dbraw/zinc/52/04/80/563520480.db2.gz GDKMUTNZPMNMIY-UHFFFAOYSA-N 1 0 345.393 3.751 50 0 EHAARO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062537 563641484 /nfs/dbraw/zinc/64/14/84/563641484.db2.gz LQBYXHBOLLYBEK-UHFFFAOYSA-N 1 0 338.451 3.936 50 0 EHAARO c1nn(-c2ccccn2)c2c1[C@H]([NH2+]CCCc1ccccc1)CCC2 ZINC000011665171 563650419 /nfs/dbraw/zinc/65/04/19/563650419.db2.gz QVRXOFLEYGYXTJ-LJQANCHMSA-N 1 0 332.451 3.867 50 0 EHAARO CCn1cc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cn1 ZINC000011841462 563651256 /nfs/dbraw/zinc/65/12/56/563651256.db2.gz DOTUHSJRYLIXSZ-INIZCTEOSA-N 1 0 331.847 3.651 50 0 EHAARO CCn1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1C ZINC000012028609 563652722 /nfs/dbraw/zinc/65/27/22/563652722.db2.gz TYKRKATUUFGBTM-INIZCTEOSA-N 1 0 334.414 3.566 50 0 EHAARO O=C1N(CC2CCCCC2)CCC[C@]12CC[N@H+](Cc1ccco1)C2 ZINC000012057697 563652760 /nfs/dbraw/zinc/65/27/60/563652760.db2.gz ZKFVMTFCQUTPTQ-HXUWFJFHSA-N 1 0 330.472 3.674 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)ccc1O ZINC000012150888 563655173 /nfs/dbraw/zinc/65/51/73/563655173.db2.gz BRQXFQASEVQZED-MRXNPFEDSA-N 1 0 343.471 3.702 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2oc3c(ccc(C)c3C)c2C)C1 ZINC000012195240 563655700 /nfs/dbraw/zinc/65/57/00/563655700.db2.gz SUTYGWBBHWLPLD-MRXNPFEDSA-N 1 0 328.456 3.914 50 0 EHAARO Cc1ccsc1C(=O)N(C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012466506 563661483 /nfs/dbraw/zinc/66/14/83/563661483.db2.gz NXWOWONXJLVZMD-GOSISDBHSA-N 1 0 342.508 3.836 50 0 EHAARO O[C@@H](C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1Cl ZINC000229912904 563662322 /nfs/dbraw/zinc/66/23/22/563662322.db2.gz JUKXMLWUCHXNJI-CJNGLKHVSA-N 1 0 347.846 3.513 50 0 EHAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccco3)sc2c1 ZINC000004359528 563669476 /nfs/dbraw/zinc/66/94/76/563669476.db2.gz HZZIGAZWBCZCLP-UHFFFAOYSA-N 1 0 343.452 3.796 50 0 EHAARO Cc1ccc(O)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000012798101 563673080 /nfs/dbraw/zinc/67/30/80/563673080.db2.gz ZUBZVVBHYZYKPO-UHFFFAOYSA-N 1 0 338.451 3.617 50 0 EHAARO O=C(CC[NH+]1CCC(OCc2ccccc2)CC1)Nc1ccccc1 ZINC000014185029 563748072 /nfs/dbraw/zinc/74/80/72/563748072.db2.gz XEIZKHRRRSPMSG-UHFFFAOYSA-N 1 0 338.451 3.696 50 0 EHAARO CCOC(=O)c1cc(C[NH2+][C@H](CC)C23CC4CC(CC(C4)C2)C3)on1 ZINC000015082592 563777223 /nfs/dbraw/zinc/77/72/23/563777223.db2.gz FVYNJELKEIFWOE-XAPRQVHKSA-N 1 0 346.471 3.936 50 0 EHAARO Cc1[nH]c2ccccc2c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015657929 563789496 /nfs/dbraw/zinc/78/94/96/563789496.db2.gz VWLIWAGSRYEPSK-UHFFFAOYSA-N 1 0 347.462 3.871 50 0 EHAARO O=C(Nc1cccc2cnccc21)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043162311 563856522 /nfs/dbraw/zinc/85/65/22/563856522.db2.gz ZGKMBFAYUIHEHD-GOSISDBHSA-N 1 0 346.434 3.631 50 0 EHAARO Cc1nc2ccccc2n1CCNC(=O)c1cc2ccccc2cc1O ZINC000010737206 563860419 /nfs/dbraw/zinc/86/04/19/563860419.db2.gz VOXNOVRVSWDMMB-UHFFFAOYSA-N 1 0 345.402 3.634 50 0 EHAARO C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000004026707 563912019 /nfs/dbraw/zinc/91/20/19/563912019.db2.gz GLWKVBMAXIHLJD-QXDZREBPSA-N 1 0 349.559 3.732 50 0 EHAARO CCCOc1cc(C[NH2+][C@H]2CCCc3c2cnn3CC)ccc1OC ZINC000072298396 563912290 /nfs/dbraw/zinc/91/22/90/563912290.db2.gz IYAIDNWJFLPWPC-KRWDZBQOSA-N 1 0 343.471 3.868 50 0 EHAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3OC)C2)cc1 ZINC000039420491 563922559 /nfs/dbraw/zinc/92/25/59/563922559.db2.gz RKQFTYUTVORCIE-SFHVURJKSA-N 1 0 326.440 3.780 50 0 EHAARO CN(C(=O)/C=C/C1CCCCC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000071910540 563932094 /nfs/dbraw/zinc/93/20/94/563932094.db2.gz CFDMXSIUXZYZKX-BQYQJAHWSA-N 1 0 341.499 3.641 50 0 EHAARO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000055325959 563934446 /nfs/dbraw/zinc/93/44/46/563934446.db2.gz CCBLHORCPAYQJO-CQSZACIVSA-N 1 0 325.416 3.506 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](OC)c2ccccc2)cc1 ZINC000058007864 563936478 /nfs/dbraw/zinc/93/64/78/563936478.db2.gz UERIAQADLACBNK-IBGZPJMESA-N 1 0 337.423 3.563 50 0 EHAARO C[N@@H+](Cc1ccc2ccccc2c1)Cn1c2ccccc2nc1CO ZINC000058157540 563938117 /nfs/dbraw/zinc/93/81/17/563938117.db2.gz STVOTABAOKSJLN-UHFFFAOYSA-N 1 0 331.419 3.771 50 0 EHAARO C[NH+]1CCC(CCNC(=O)CSc2ccc3ccccc3c2)CC1 ZINC000058165808 563938650 /nfs/dbraw/zinc/93/86/50/563938650.db2.gz DACAZKZHKDUBTR-UHFFFAOYSA-N 1 0 342.508 3.780 50 0 EHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1F ZINC000058195245 563939585 /nfs/dbraw/zinc/93/95/85/563939585.db2.gz JZCXZBLMUYTLMW-AWEZNQCLSA-N 1 0 332.444 3.529 50 0 EHAARO Cc1nc(C)c([C@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)s1 ZINC000058282195 563941544 /nfs/dbraw/zinc/94/15/44/563941544.db2.gz AAHQPDWZUQNMCK-AWEZNQCLSA-N 1 0 343.496 3.847 50 0 EHAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000058306786 563942214 /nfs/dbraw/zinc/94/22/14/563942214.db2.gz YCBDQTUOXJIEPL-INIZCTEOSA-N 1 0 326.440 3.939 50 0 EHAARO COc1cc(Cl)ccc1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000058341564 563942906 /nfs/dbraw/zinc/94/29/06/563942906.db2.gz YRAMTAHVAMHXSL-UHFFFAOYSA-N 1 0 338.879 3.541 50 0 EHAARO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000058954990 563947515 /nfs/dbraw/zinc/94/75/15/563947515.db2.gz REFDHLMUEXJPCQ-STQMWFEESA-N 1 0 328.378 3.556 50 0 EHAARO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058954988 563947534 /nfs/dbraw/zinc/94/75/34/563947534.db2.gz REFDHLMUEXJPCQ-OLZOCXBDSA-N 1 0 328.378 3.556 50 0 EHAARO Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000096494663 563955825 /nfs/dbraw/zinc/95/58/25/563955825.db2.gz JPYXSAZOAMGUHZ-KURKYZTESA-N 1 0 330.472 3.592 50 0 EHAARO CCc1ncc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065404065 563960004 /nfs/dbraw/zinc/96/00/04/563960004.db2.gz ZDIVRWPPXHQGID-LEWJYISDSA-N 1 0 347.462 3.543 50 0 EHAARO c1cn(CCc2c[nH]cn2)c(-c2ccc([C@H]3CCCCO3)s2)n1 ZINC000067515032 563962356 /nfs/dbraw/zinc/96/23/56/563962356.db2.gz PRKKSDJQQPCCSP-CQSZACIVSA-N 1 0 328.441 3.819 50 0 EHAARO CC(C)=CC(=O)NCC1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000067650320 563962412 /nfs/dbraw/zinc/96/24/12/563962412.db2.gz CFLXRQGGBSTZHX-UHFFFAOYSA-N 1 0 337.467 3.529 50 0 EHAARO C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1ccc(Oc2ncccn2)cc1 ZINC000067739522 563962606 /nfs/dbraw/zinc/96/26/06/563962606.db2.gz ZHATWUXFTAQEAI-KRWDZBQOSA-N 1 0 349.438 3.617 50 0 EHAARO CSc1ccc2cc(C[N@H+](C)Cc3cccc(O)c3)c(=O)[nH]c2c1 ZINC000067921204 563963115 /nfs/dbraw/zinc/96/31/15/563963115.db2.gz ITYLPGCEQCQZPR-UHFFFAOYSA-N 1 0 340.448 3.588 50 0 EHAARO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000097017790 563966778 /nfs/dbraw/zinc/96/67/78/563966778.db2.gz JCHHEZNDTZITKY-KRWDZBQOSA-N 1 0 340.471 3.625 50 0 EHAARO Cc1nc2ccccn2c1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000097033190 563966901 /nfs/dbraw/zinc/96/69/01/563966901.db2.gz RLMBGVMQNYOFRK-HNNXBMFYSA-N 1 0 348.450 3.620 50 0 EHAARO Cc1nccn1Cc1cccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000097159355 563968341 /nfs/dbraw/zinc/96/83/41/563968341.db2.gz UVCRFLDCGNFYON-UHFFFAOYSA-N 1 0 337.471 3.550 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccccc1Br ZINC000097019505 563971016 /nfs/dbraw/zinc/97/10/16/563971016.db2.gz DOMGJFFIPVENMM-UHFFFAOYSA-N 1 0 347.256 3.740 50 0 EHAARO C/C(=C\c1ccccc1)C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082096259 563972140 /nfs/dbraw/zinc/97/21/40/563972140.db2.gz KMGMCRAFTIUQBQ-BMRADRMJSA-N 1 0 347.462 3.989 50 0 EHAARO Cc1sc(-n2cccc2)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000060740069 563974278 /nfs/dbraw/zinc/97/42/78/563974278.db2.gz WHNHIJAKTVYMAQ-HOTGVXAUSA-N 1 0 343.496 3.512 50 0 EHAARO CCCCc1nc(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)c[nH]1 ZINC000091381557 563975354 /nfs/dbraw/zinc/97/53/54/563975354.db2.gz JPIYOMNVOZKDJS-PKOBYXMFSA-N 1 0 330.520 3.615 50 0 EHAARO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cscn2)C3)o1 ZINC000091586774 563975557 /nfs/dbraw/zinc/97/55/57/563975557.db2.gz FBYVRSANDQCHPL-DOTOQJQBSA-N 1 0 345.512 3.785 50 0 EHAARO Cc1cc(C)c2c(ncnc2NCC2([NH+]3CCCCC3)CCCC2)n1 ZINC000095360629 563976735 /nfs/dbraw/zinc/97/67/35/563976735.db2.gz KWAOVRYGQVLDDC-UHFFFAOYSA-N 1 0 339.487 3.852 50 0 EHAARO C[C@H](c1cncs1)N(C)C(=O)C1CC[NH+](C2CCCCC2)CC1 ZINC000095362022 563976791 /nfs/dbraw/zinc/97/67/91/563976791.db2.gz CYJSVMHGIXLDPD-CQSZACIVSA-N 1 0 335.517 3.707 50 0 EHAARO Cc1ccc(N2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000095380660 563976874 /nfs/dbraw/zinc/97/68/74/563976874.db2.gz QNNRZGZFSDALOF-OAQYLSRUSA-N 1 0 336.483 3.668 50 0 EHAARO Cc1ccc(N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000095380659 563976882 /nfs/dbraw/zinc/97/68/82/563976882.db2.gz QNNRZGZFSDALOF-NRFANRHFSA-N 1 0 336.483 3.668 50 0 EHAARO C[NH+]1CCC(Oc2ccc(NC(=O)NCC3=CCCCC3)cc2)CC1 ZINC000096141081 563979555 /nfs/dbraw/zinc/97/95/55/563979555.db2.gz RUPBUIGHUANPBL-UHFFFAOYSA-N 1 0 343.471 3.782 50 0 EHAARO Cc1cc(C)c(-n2cccn2)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000097413417 563981542 /nfs/dbraw/zinc/98/15/42/563981542.db2.gz MWBRCOYOTFPMMC-UHFFFAOYSA-N 1 0 335.455 3.592 50 0 EHAARO Cc1nccn1CC1CC[NH+](Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000097732553 563981819 /nfs/dbraw/zinc/98/18/19/563981819.db2.gz BYPDAUFQFDSREU-UHFFFAOYSA-N 1 0 349.482 3.598 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1cccc(Br)c1 ZINC000050041875 563988177 /nfs/dbraw/zinc/98/81/77/563988177.db2.gz MDCGWRVOVOKHTC-UHFFFAOYSA-N 1 0 347.256 3.740 50 0 EHAARO C[NH+]1CCN(c2nc(/C=C\c3ccccc3)nc3ccccc32)CC1 ZINC000033420474 563992012 /nfs/dbraw/zinc/99/20/12/563992012.db2.gz SWDQDPUMJVETEK-QXMHVHEDSA-N 1 0 330.435 3.552 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000237465853 563992564 /nfs/dbraw/zinc/99/25/64/563992564.db2.gz CUEVRMZPALJCFS-WCQYABFASA-N 1 0 329.271 3.512 50 0 EHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000248059717 563995092 /nfs/dbraw/zinc/99/50/92/563995092.db2.gz CUYYIPTWALRXFD-NUJGCVRESA-N 1 0 337.467 3.712 50 0 EHAARO Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC[C@@H]2CCCO2)c1 ZINC000252486392 563997769 /nfs/dbraw/zinc/99/77/69/563997769.db2.gz JPYXSAZOAMGUHZ-SQNIBIBYSA-N 1 0 330.472 3.592 50 0 EHAARO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000078756184 564000895 /nfs/dbraw/zinc/00/08/95/564000895.db2.gz KMEREEMGHFGIQE-CJNGLKHVSA-N 1 0 332.488 3.761 50 0 EHAARO CCCC[NH+](CCCC)C[C@H](O)Cn1cc(C=O)c2ccccc21 ZINC000005520902 564005050 /nfs/dbraw/zinc/00/50/50/564005050.db2.gz PZVMQNZYQAUSBR-SFHVURJKSA-N 1 0 330.472 3.717 50 0 EHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CC[NH+](C(C)C)CC1 ZINC000017313815 564011630 /nfs/dbraw/zinc/01/16/30/564011630.db2.gz PAABQSQTUZNSQR-UHFFFAOYSA-N 1 0 344.478 3.591 50 0 EHAARO CSc1ccc([C@]2(O)Cc3cccc[n+]3[C@H]2c2ccccc2)cc1 ZINC000000495522 564017982 /nfs/dbraw/zinc/01/79/82/564017982.db2.gz LLIBEQVYXSPFFD-LEWJYISDSA-N 1 0 334.464 3.729 50 0 EHAARO O[C@@H](C[NH2+]CC1(c2ccccc2)CCCC1)COc1ccccc1 ZINC000005731388 564024618 /nfs/dbraw/zinc/02/46/18/564024618.db2.gz OZHWMCXKNRLLGS-IBGZPJMESA-N 1 0 325.452 3.528 50 0 EHAARO C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000195555038 564026499 /nfs/dbraw/zinc/02/64/99/564026499.db2.gz ICDDYFHTTLZTDW-AWEZNQCLSA-N 1 0 326.415 3.670 50 0 EHAARO CCS[C@@H]1CCCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000106798368 564026678 /nfs/dbraw/zinc/02/66/78/564026678.db2.gz SMEPPOHEPKYDOQ-ZIAGYGMSSA-N 1 0 331.485 3.592 50 0 EHAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000107347171 564026897 /nfs/dbraw/zinc/02/68/97/564026897.db2.gz IOYRAHSBLQGCLG-UFYCRDLUSA-N 1 0 326.484 3.657 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000045462725 564028457 /nfs/dbraw/zinc/02/84/57/564028457.db2.gz WWGDSNSFCFWYPE-GOSISDBHSA-N 1 0 343.515 3.526 50 0 EHAARO Cc1cccc(C)c1-n1nnnc1C1([NH+]2CCCCC2)CCCC1 ZINC000046078053 564029477 /nfs/dbraw/zinc/02/94/77/564029477.db2.gz AKXKGSLQERHTML-UHFFFAOYSA-N 1 0 325.460 3.534 50 0 EHAARO c1sc(-c2ncccn2)nc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000051376464 564031782 /nfs/dbraw/zinc/03/17/82/564031782.db2.gz JWOZMPSAJBPBRH-KRWDZBQOSA-N 1 0 336.464 3.807 50 0 EHAARO CC[C@@H](NC(=O)C1([NH+]2CCCCC2)CCCCC1)c1cccnc1 ZINC000222903071 564038312 /nfs/dbraw/zinc/03/83/12/564038312.db2.gz WECHMNFCJXQKSK-GOSISDBHSA-N 1 0 329.488 3.838 50 0 EHAARO c1coc(-c2ncc(C[NH2+]Cc3ccc(C4OCCO4)cc3)s2)c1 ZINC000225610521 564048362 /nfs/dbraw/zinc/04/83/62/564048362.db2.gz MUYZVMXVHQBDMX-UHFFFAOYSA-N 1 0 342.420 3.738 50 0 EHAARO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000241644255 564052054 /nfs/dbraw/zinc/05/20/54/564052054.db2.gz PPOCVNLBPKXWPS-ZOCIIQOWSA-N 1 0 329.465 3.639 50 0 EHAARO CCCC[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1cccnc1 ZINC000534576646 564061073 /nfs/dbraw/zinc/06/10/73/564061073.db2.gz KMRZCQCLTXBZHY-GOSISDBHSA-N 1 0 329.488 3.838 50 0 EHAARO Cc1cc(F)ccc1N1CCC([NH2+]Cc2cc(C3CC3)on2)CC1 ZINC000534673875 564061575 /nfs/dbraw/zinc/06/15/75/564061575.db2.gz XKIGZUDDBRKMGU-UHFFFAOYSA-N 1 0 329.419 3.758 50 0 EHAARO CN1CC[C@@H](C[NH2+]C2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136197006 564066372 /nfs/dbraw/zinc/06/63/72/564066372.db2.gz CTHBCLQYGKXSJR-GUYCJALGSA-N 1 0 342.911 3.957 50 0 EHAARO C[C@H](C(=O)NC1CCCC1)N(C)Cc1ccc(Cl)cc1Cl ZINC000012902295 564077695 /nfs/dbraw/zinc/07/76/95/564077695.db2.gz NZCOLBZLEFWKBO-LLVKDONJSA-N 1 0 329.271 3.873 50 0 EHAARO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000248732930 564077962 /nfs/dbraw/zinc/07/79/62/564077962.db2.gz MHAYETPTHCRDJN-SUMWQHHRSA-N 1 0 335.904 3.797 50 0 EHAARO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000248732926 564077975 /nfs/dbraw/zinc/07/79/75/564077975.db2.gz MHAYETPTHCRDJN-CXAGYDPISA-N 1 0 335.904 3.797 50 0 EHAARO CCCCc1ncc(C[NH2+]CCc2c(C)[nH]c3ccc(OC)cc32)[nH]1 ZINC000006419794 564085603 /nfs/dbraw/zinc/08/56/03/564085603.db2.gz ZEPRNNGNJWIWFA-UHFFFAOYSA-N 1 0 340.471 3.883 50 0 EHAARO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000123732463 564086747 /nfs/dbraw/zinc/08/67/47/564086747.db2.gz MJFWOZWGOIXWDB-RDJZCZTQSA-N 1 0 341.455 3.581 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)c(C)n1 ZINC000090853302 564086915 /nfs/dbraw/zinc/08/69/15/564086915.db2.gz BTSQETCDZUBMNH-LSDHHAIUSA-N 1 0 335.455 3.750 50 0 EHAARO C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369190 564087533 /nfs/dbraw/zinc/08/75/33/564087533.db2.gz TZLXHHRPSYXZGO-OBJOEFQTSA-N 1 0 332.879 3.503 50 0 EHAARO Cc1n[nH]cc1C[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000241440000 564088349 /nfs/dbraw/zinc/08/83/49/564088349.db2.gz NOGJLCCASDHNAE-URLYPYJESA-N 1 0 329.288 3.717 50 0 EHAARO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000242048037 564088454 /nfs/dbraw/zinc/08/84/54/564088454.db2.gz VSEYQCUUTWRCLS-DBVUQKKJSA-N 1 0 347.405 3.642 50 0 EHAARO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000242304979 564088486 /nfs/dbraw/zinc/08/84/86/564088486.db2.gz YTTLJFIEHCVIJE-UWWQBHOKSA-N 1 0 334.504 3.818 50 0 EHAARO Cc1cc(C)c2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2c1 ZINC000054106012 564089253 /nfs/dbraw/zinc/08/92/53/564089253.db2.gz SFHVWCHRUQPYDM-UHFFFAOYSA-N 1 0 348.446 3.732 50 0 EHAARO CS[C@@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000089314106 564089646 /nfs/dbraw/zinc/08/96/46/564089646.db2.gz NGXHLYOKGBQDHJ-CHWSQXEVSA-N 1 0 348.299 3.503 50 0 EHAARO CC(C)c1noc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192077252 564090004 /nfs/dbraw/zinc/09/00/04/564090004.db2.gz HPGPYDITURIIHT-HIFRSBDPSA-N 1 0 339.798 3.605 50 0 EHAARO Cc1cccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1 ZINC000006553034 564091970 /nfs/dbraw/zinc/09/19/70/564091970.db2.gz MLZYVKPKGAFXLG-UHFFFAOYSA-N 1 0 343.858 3.653 50 0 EHAARO Cc1nccn1CCCNC(=O)N(Cc1ccsc1)CC(C)C ZINC000426369889 564093504 /nfs/dbraw/zinc/09/35/04/564093504.db2.gz GWBVTZRFECFLAB-UHFFFAOYSA-N 1 0 334.489 3.511 50 0 EHAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc2cc(F)ccc2o1 ZINC000426739132 564094502 /nfs/dbraw/zinc/09/45/02/564094502.db2.gz XLNCJAPCMMQPGJ-ZDUSSCGKSA-N 1 0 330.403 3.566 50 0 EHAARO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COC(C)(C)C)s1 ZINC000036101105 564096153 /nfs/dbraw/zinc/09/61/53/564096153.db2.gz ARLARXAARAEDCR-HNNXBMFYSA-N 1 0 337.485 3.828 50 0 EHAARO COCCC[NH2+]CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000006787500 564097770 /nfs/dbraw/zinc/09/77/70/564097770.db2.gz PKSUKWCJWQWJDC-UHFFFAOYSA-N 1 0 348.830 3.697 50 0 EHAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000006896333 564100963 /nfs/dbraw/zinc/10/09/63/564100963.db2.gz HNZJKERJTSBDBG-UHFFFAOYSA-N 1 0 329.488 3.882 50 0 EHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000007107246 564104920 /nfs/dbraw/zinc/10/49/20/564104920.db2.gz GJEHXEDFWGKXAG-UHFFFAOYSA-N 1 0 349.434 3.827 50 0 EHAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000065475491 564106247 /nfs/dbraw/zinc/10/62/47/564106247.db2.gz UBOLKGMZNQNLSL-UHFFFAOYSA-N 1 0 326.375 3.643 50 0 EHAARO CC(C)[NH2+]C1CCN([C@@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000065550666 564107405 /nfs/dbraw/zinc/10/74/05/564107405.db2.gz CXEYIBCKSKLOLO-INIZCTEOSA-N 1 0 339.483 3.629 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000042242073 564110830 /nfs/dbraw/zinc/11/08/30/564110830.db2.gz NDCDIRONSVGFHN-KRWDZBQOSA-N 1 0 340.471 3.692 50 0 EHAARO Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1F ZINC000237494936 564117718 /nfs/dbraw/zinc/11/77/18/564117718.db2.gz VCMZOZSEJHVTOC-CJNGLKHVSA-N 1 0 344.405 3.892 50 0 EHAARO CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccc2[nH]ccc2c1 ZINC000252507858 564119968 /nfs/dbraw/zinc/11/99/68/564119968.db2.gz WVGYLTQRJHVOHN-UHFFFAOYSA-N 1 0 337.423 3.637 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C1 ZINC000253418111 564130843 /nfs/dbraw/zinc/13/08/43/564130843.db2.gz DZRFDDVEXCKCPB-QGZVFWFLSA-N 1 0 343.515 3.845 50 0 EHAARO O[C@@H](C[NH+]1CCC(c2nccs2)CC1)c1ccc(F)cc1Cl ZINC000253432091 564131876 /nfs/dbraw/zinc/13/18/76/564131876.db2.gz VTSSTZBBELHTOS-HNNXBMFYSA-N 1 0 340.851 3.849 50 0 EHAARO CCCC[NH+](CCCC)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000013361988 564136300 /nfs/dbraw/zinc/13/63/00/564136300.db2.gz QAHJFLXEEBCFGD-INIZCTEOSA-N 1 0 345.487 3.653 50 0 EHAARO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000078624111 564136442 /nfs/dbraw/zinc/13/64/42/564136442.db2.gz LOMCRVKXZQJHFH-ZIAGYGMSSA-N 1 0 343.393 3.786 50 0 EHAARO CC(C)[C@@H](C)NC(=O)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000078808687 564137229 /nfs/dbraw/zinc/13/72/29/564137229.db2.gz VCWKQAYFRVQTFK-CQSZACIVSA-N 1 0 343.446 3.751 50 0 EHAARO OCC1CC[NH+](Cc2ccccc2NCc2ccc(Cl)nc2)CC1 ZINC000079016738 564137601 /nfs/dbraw/zinc/13/76/01/564137601.db2.gz WLZMBKZCEOZNHA-UHFFFAOYSA-N 1 0 345.874 3.551 50 0 EHAARO Cc1nc(CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000277100733 564137949 /nfs/dbraw/zinc/13/79/49/564137949.db2.gz TZBZBYJUQHRNGA-HZPDHXFCSA-N 1 0 340.851 3.906 50 0 EHAARO CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1CCCO1 ZINC000079354446 564138130 /nfs/dbraw/zinc/13/81/30/564138130.db2.gz KFEMBLHQNIDWAT-LBPRGKRZSA-N 1 0 345.270 3.823 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000095407647 564139607 /nfs/dbraw/zinc/13/96/07/564139607.db2.gz HKUYSUZEHVTNJD-MRXNPFEDSA-N 1 0 333.476 3.588 50 0 EHAARO CC(C)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000095419541 564139860 /nfs/dbraw/zinc/13/98/60/564139860.db2.gz UZNZGYVQNVAGKZ-GOSISDBHSA-N 1 0 331.504 3.814 50 0 EHAARO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000095419992 564139870 /nfs/dbraw/zinc/13/98/70/564139870.db2.gz ABURSOSQCOHTAC-QGZVFWFLSA-N 1 0 347.466 3.718 50 0 EHAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc(F)cc(F)c1 ZINC000095419483 564139877 /nfs/dbraw/zinc/13/98/77/564139877.db2.gz PQNYILCKKQWOKL-HNNXBMFYSA-N 1 0 346.421 3.648 50 0 EHAARO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCc4ccc(F)cc43)cn2)n1 ZINC000095420491 564139929 /nfs/dbraw/zinc/13/99/29/564139929.db2.gz GEAVOFLUYVDSAS-IBGZPJMESA-N 1 0 336.414 3.800 50 0 EHAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]CCCOCC1CCOCC1 ZINC000095423003 564140175 /nfs/dbraw/zinc/14/01/75/564140175.db2.gz FMERIARDOVAGPC-LJQANCHMSA-N 1 0 345.483 3.856 50 0 EHAARO CCn1nc(C)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1C ZINC000095437366 564140424 /nfs/dbraw/zinc/14/04/24/564140424.db2.gz OPYZOOMSAHVVEP-UHFFFAOYSA-N 1 0 327.350 3.550 50 0 EHAARO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1(c2ccccc2)CC1 ZINC000095455520 564140606 /nfs/dbraw/zinc/14/06/06/564140606.db2.gz QLFYYPJFPUXHQI-CVEARBPZSA-N 1 0 332.488 4.000 50 0 EHAARO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000095454742 564140624 /nfs/dbraw/zinc/14/06/24/564140624.db2.gz OVZGRYGLAPNRCB-MRXNPFEDSA-N 1 0 331.378 3.755 50 0 EHAARO Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000095466178 564141049 /nfs/dbraw/zinc/14/10/49/564141049.db2.gz BLDZPJHKJWLPGW-CTNGQTDRSA-N 1 0 330.516 3.958 50 0 EHAARO C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2ncccn2)CC1 ZINC000095954501 564142511 /nfs/dbraw/zinc/14/25/11/564142511.db2.gz OUZJUOFMQJOZHM-CYBMUJFWSA-N 1 0 344.846 3.542 50 0 EHAARO COC1CCC([N@H+](C)Cc2cc(F)cc(Br)c2)CC1 ZINC000095963697 564142870 /nfs/dbraw/zinc/14/28/70/564142870.db2.gz RPYDHJKCYNXMFN-UHFFFAOYSA-N 1 0 330.241 3.978 50 0 EHAARO Cc1nc(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)sc1C ZINC000095968778 564143288 /nfs/dbraw/zinc/14/32/88/564143288.db2.gz ATRCJISSJPBOOK-UHFFFAOYSA-N 1 0 347.503 3.696 50 0 EHAARO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000095988243 564144076 /nfs/dbraw/zinc/14/40/76/564144076.db2.gz VSEYQCUUTWRCLS-PWIZWCRZSA-N 1 0 347.405 3.642 50 0 EHAARO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156648592 564146905 /nfs/dbraw/zinc/14/69/05/564146905.db2.gz AUQPOWMCYBTVAZ-LBPRGKRZSA-N 1 0 340.349 3.575 50 0 EHAARO Cc1ccc(NC(=O)CCc2ccsc2)c(OCC[NH+](C)C)c1 ZINC000096414022 564147666 /nfs/dbraw/zinc/14/76/66/564147666.db2.gz ZMBXIWAKFYYLKJ-UHFFFAOYSA-N 1 0 332.469 3.568 50 0 EHAARO C[C@@H]([NH2+]Cc1cc(F)ccc1CS(C)(=O)=O)[C@H](C)c1ccccc1 ZINC000096479118 564148515 /nfs/dbraw/zinc/14/85/15/564148515.db2.gz BMYRUTKYFILLAD-LSDHHAIUSA-N 1 0 349.471 3.652 50 0 EHAARO CN(Cc1csc(-c2ccco2)n1)Cc1ccc2c(c1)OCCO2 ZINC000055472368 564150034 /nfs/dbraw/zinc/15/00/34/564150034.db2.gz IRYVYXRVNZXOLH-UHFFFAOYSA-N 1 0 342.420 3.806 50 0 EHAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@H](C)c1ccncc1 ZINC000002631320 564151465 /nfs/dbraw/zinc/15/14/65/564151465.db2.gz PRIFZQBWUJEIKT-VQIMIIECSA-N 1 0 342.483 3.778 50 0 EHAARO Cc1nc2scc(-c3cccs3)c2c(N2CCC[N@@H+](C)CC2)n1 ZINC000003503774 564158551 /nfs/dbraw/zinc/15/85/51/564158551.db2.gz RXTPNUABRQHSEZ-UHFFFAOYSA-N 1 0 344.509 3.870 50 0 EHAARO CCc1oc(-c2ncnn2Cc2ccccc2)cc1C[NH+]1CCCC1 ZINC000670462524 564161198 /nfs/dbraw/zinc/16/11/98/564161198.db2.gz OWTXWSZYPLKFPZ-UHFFFAOYSA-N 1 0 336.439 3.745 50 0 EHAARO C[C@H]1CCc2sc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC000007981258 564161750 /nfs/dbraw/zinc/16/17/50/564161750.db2.gz SUWMPCSGCGUEOZ-YOEHRIQHSA-N 1 0 342.508 3.906 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+]CCSCc2ccc(C)cc2)cc1 ZINC000007985286 564161829 /nfs/dbraw/zinc/16/18/29/564161829.db2.gz UKXJLKIBAQRKEU-UHFFFAOYSA-N 1 0 328.481 3.976 50 0 EHAARO [NH3+]CCSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000008428530 564165237 /nfs/dbraw/zinc/16/52/37/564165237.db2.gz OFKYXJYQBOXJJQ-UHFFFAOYSA-N 1 0 344.871 3.562 50 0 EHAARO C[NH+](C)C1(CNC(=O)COc2ccc(C(C)(C)C)cc2)CCCCC1 ZINC000008673941 564166290 /nfs/dbraw/zinc/16/62/90/564166290.db2.gz OJYPXNPYYHMOLS-UHFFFAOYSA-N 1 0 346.515 3.744 50 0 EHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000008862582 564167482 /nfs/dbraw/zinc/16/74/82/564167482.db2.gz LXCJTFOPKJNHOV-MRXNPFEDSA-N 1 0 334.872 3.968 50 0 EHAARO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068718183 564167627 /nfs/dbraw/zinc/16/76/27/564167627.db2.gz GUSPVNZQCIRZLJ-VXGBXAGGSA-N 1 0 329.271 3.553 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000039975660 564167731 /nfs/dbraw/zinc/16/77/31/564167731.db2.gz CZBULKRVVZUXBY-IBGZPJMESA-N 1 0 328.431 3.568 50 0 EHAARO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000040057156 564167864 /nfs/dbraw/zinc/16/78/64/564167864.db2.gz OVPSOCDGWPJJTD-OAQYLSRUSA-N 1 0 334.463 3.717 50 0 EHAARO O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1cccnc1 ZINC000040091429 564167972 /nfs/dbraw/zinc/16/79/72/564167972.db2.gz APRNORMQUHHNKX-KRWDZBQOSA-N 1 0 344.846 3.694 50 0 EHAARO CSc1cccc(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000040115844 564168170 /nfs/dbraw/zinc/16/81/70/564168170.db2.gz FBJRCRSEKBLZGT-UHFFFAOYSA-N 1 0 330.453 3.601 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCc2cscn2)cc1)[C@@H](C)n1cccn1 ZINC000069372323 564169076 /nfs/dbraw/zinc/16/90/76/564169076.db2.gz XBUBDOHFJRWOSE-HUUCEWRRSA-N 1 0 342.468 3.658 50 0 EHAARO C[C@H]([C@H](C)[NH2+]Cc1ccccc1OCc1ccncc1)n1cccn1 ZINC000069417266 564169286 /nfs/dbraw/zinc/16/92/86/564169286.db2.gz YIEHJUINJUJFIW-DLBZAZTESA-N 1 0 336.439 3.596 50 0 EHAARO Cn1c2ccc(Cl)cc2nc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000069418290 564169331 /nfs/dbraw/zinc/16/93/31/564169331.db2.gz AQAGGHWQJIDOAH-UHFFFAOYSA-N 1 0 325.843 3.826 50 0 EHAARO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000040497564 564169990 /nfs/dbraw/zinc/16/99/90/564169990.db2.gz KROGSIVFNARDNJ-CYBMUJFWSA-N 1 0 327.815 3.541 50 0 EHAARO O=C(Nc1c(F)cccc1F)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000069874252 564172627 /nfs/dbraw/zinc/17/26/27/564172627.db2.gz MINIYFTXWZAODZ-AWEZNQCLSA-N 1 0 337.414 3.837 50 0 EHAARO Cc1ccc2cc(CSc3nc(N)cc(N)[nH+]3)c(Cl)nc2c1C ZINC000009417834 564173666 /nfs/dbraw/zinc/17/36/66/564173666.db2.gz HYXOCBCAMQRMLM-UHFFFAOYSA-N 1 0 345.859 3.752 50 0 EHAARO CC(C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C ZINC000009942203 564174896 /nfs/dbraw/zinc/17/48/96/564174896.db2.gz DFGSUFQEACUQLB-UHFFFAOYSA-N 1 0 328.460 3.544 50 0 EHAARO COc1ccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000010018829 564175040 /nfs/dbraw/zinc/17/50/40/564175040.db2.gz PQKPELCDEFIEFN-QGZVFWFLSA-N 1 0 347.846 3.773 50 0 EHAARO COc1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000010018828 564175043 /nfs/dbraw/zinc/17/50/43/564175043.db2.gz PQKPELCDEFIEFN-KRWDZBQOSA-N 1 0 347.846 3.773 50 0 EHAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000010340062 564175296 /nfs/dbraw/zinc/17/52/96/564175296.db2.gz OQLLYWLIHPTKFE-DNVCBOLYSA-N 1 0 326.415 3.840 50 0 EHAARO COc1ccc2ccccc2c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000077325766 564176667 /nfs/dbraw/zinc/17/66/67/564176667.db2.gz KPQYPCMPNXFBAL-UHFFFAOYSA-N 1 0 335.403 3.909 50 0 EHAARO C[C@H](c1cccc(F)c1)N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000069370529 568423236 /nfs/dbraw/zinc/42/32/36/568423236.db2.gz FWHLTXNAXMNDJD-KGLIPLIRSA-N 1 0 344.434 3.526 50 0 EHAARO CC(C)C1CCC([NH+]2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000175928356 1019000555 /nfs/dbraw/zinc/00/05/55/1019000555.db2.gz VQXWGOHGCIXLNF-FBPXKMNZSA-N 1 0 348.506 3.692 50 0 EHAARO Cc1cccc(C[N@H+]2CCCCCCN(C)C(=O)[C@@H]3CCC[C@@H]32)c1 ZINC000257177639 1038338864 /nfs/dbraw/zinc/33/88/64/1038338864.db2.gz FFGFBSCWTTUQRV-UXHICEINSA-N 1 0 328.500 3.998 50 0 EHAARO O=C(/C=C\c1ccco1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000096647382 1038435888 /nfs/dbraw/zinc/43/58/88/1038435888.db2.gz KURUYIHIVRALAF-HJCTWCACSA-N 1 0 344.842 3.900 50 0 EHAARO COc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000257187957 1038477085 /nfs/dbraw/zinc/47/70/85/1038477085.db2.gz MHKASDPASRGTFI-SFHVURJKSA-N 1 0 344.499 3.669 50 0 EHAARO c1ccc(-c2nc(CC[C@@H]3CCC[N@@H+]3Cc3ccncc3)no2)cc1 ZINC000675020489 1039891471 /nfs/dbraw/zinc/89/14/71/1039891471.db2.gz RAVOREBSTJKCOD-SFHVURJKSA-N 1 0 334.423 3.729 50 0 EHAARO Cc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000527696834 1127588094 /nfs/dbraw/zinc/58/80/94/1127588094.db2.gz KTYYXQGSHVWUIP-DQYPLSBCSA-N 1 0 330.863 3.753 50 0 EHAARO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000449295182 1128019262 /nfs/dbraw/zinc/01/92/62/1128019262.db2.gz QJEVDNQBVGVYIK-HBFSDRIKSA-N 1 0 348.918 3.899 50 0 EHAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000011937757 1129193067 /nfs/dbraw/zinc/19/30/67/1129193067.db2.gz ZMYBSFFDIIGADH-NRFANRHFSA-N 1 0 337.511 3.777 50 0 EHAARO COc1cccc([C@@H]2CC[N@@H+]2CC2=Cc3cccc(OC)c3OC2)c1 ZINC000824774858 1131217650 /nfs/dbraw/zinc/21/76/50/1131217650.db2.gz GOTLCOPXAYSSHG-IBGZPJMESA-N 1 0 337.419 3.927 50 0 EHAARO Cc1cccc(-c2ncc(C[N@H+](CCO)C3CCCCC3)cn2)c1 ZINC000828757337 1131444648 /nfs/dbraw/zinc/44/46/48/1131444648.db2.gz XLXBCZPBQGLDPW-UHFFFAOYSA-N 1 0 325.456 3.579 50 0 EHAARO Cc1ccc(C[NH+]2CCC(Cc3ccc(C(N)=O)cc3)CC2)s1 ZINC000575546436 1131571381 /nfs/dbraw/zinc/57/13/81/1131571381.db2.gz SQZZKTMTZOKFPF-UHFFFAOYSA-N 1 0 328.481 3.610 50 0 EHAARO COC1CC[NH+](C[C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000581788104 1132356857 /nfs/dbraw/zinc/35/68/57/1132356857.db2.gz SVZQFUHYQLRGFU-GOSISDBHSA-N 1 0 345.487 3.574 50 0 EHAARO CCNC(=O)N1CCC([N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000581802389 1132362982 /nfs/dbraw/zinc/36/29/82/1132362982.db2.gz JQAMWFOHSMFRLU-IBGZPJMESA-N 1 0 341.499 3.798 50 0 EHAARO CO[C@H]1CN(c2cccc(F)c2)C12CC[NH+](C1CCCCC1)CC2 ZINC000581812518 1132365742 /nfs/dbraw/zinc/36/57/42/1132365742.db2.gz PTAWXSLYJGVTAF-IBGZPJMESA-N 1 0 332.463 3.828 50 0 EHAARO C[NH+]1CCC(Cc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000581806015 1132368491 /nfs/dbraw/zinc/36/84/91/1132368491.db2.gz QDTDVDSIQAZPGV-UHFFFAOYSA-N 1 0 336.479 3.543 50 0 EHAARO Cc1cnc(C2CCOCC2)n1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581807145 1132369343 /nfs/dbraw/zinc/36/93/43/1132369343.db2.gz DHJISZPZVSCHBR-LJQANCHMSA-N 1 0 325.456 3.533 50 0 EHAARO CC(C)NC(=O)N(Cc1ccc(CC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000581810544 1132370832 /nfs/dbraw/zinc/37/08/32/1132370832.db2.gz YWQRPTDYCKFXEY-UHFFFAOYSA-N 1 0 343.515 3.653 50 0 EHAARO CCc1cc(N2CC[C@H](OCc3ccncc3)C2)c2ccccc2[nH+]1 ZINC000192901370 1137456839 /nfs/dbraw/zinc/45/68/39/1137456839.db2.gz WGEHZHXFRPPTRN-SFHVURJKSA-N 1 0 333.435 3.988 50 0 EHAARO c1cc(CNC[C@H]2CCC[N@@H+](C3CCCC3)C2)n(-c2ccccc2)n1 ZINC000952960080 1137483602 /nfs/dbraw/zinc/48/36/02/1137483602.db2.gz BANAVHMDNDIBNB-GOSISDBHSA-N 1 0 338.499 3.617 50 0 EHAARO NC(=O)C1CC[NH+](Cc2cccc(NC/C=C\c3ccccc3)c2)CC1 ZINC000221933486 1138226857 /nfs/dbraw/zinc/22/68/57/1138226857.db2.gz FIPHTSGMRHXLCO-UITAMQMPSA-N 1 0 349.478 3.509 50 0 EHAARO c1ccc(C2CCC([NH+]3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000019369929 202005618 /nfs/dbraw/zinc/00/56/18/202005618.db2.gz LKLASWHVKBTLFT-UHFFFAOYSA-N 1 0 335.495 3.926 50 0 EHAARO CC1(C)CC(NC(=O)Nc2ccc(OC(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000040023755 213251109 /nfs/dbraw/zinc/25/11/09/213251109.db2.gz SVGDCDXREBCQLR-UHFFFAOYSA-N 1 0 341.402 3.719 50 0 EHAARO Cc1ncc2c(c1-c1noc(Cc3ccc(C(C)C)cc3)n1)CC[NH2+]C2 ZINC000019840273 202021973 /nfs/dbraw/zinc/02/19/73/202021973.db2.gz OJFSCCKNXLBJAR-UHFFFAOYSA-N 1 0 348.450 3.800 50 0 EHAARO Clc1ccc(-n2cc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000019836466 202022580 /nfs/dbraw/zinc/02/25/80/202022580.db2.gz OJFPIJHFRKHJGI-LJQANCHMSA-N 1 0 344.890 3.586 50 0 EHAARO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019849891 202024148 /nfs/dbraw/zinc/02/41/48/202024148.db2.gz KIBFEGUFVBIKGE-IRLDBZIGSA-N 1 0 348.446 3.939 50 0 EHAARO COc1cccc(C[NH2+]CC(O)(c2ccccc2)c2ccccc2)c1 ZINC000020219097 202035528 /nfs/dbraw/zinc/03/55/28/202035528.db2.gz ASOUUQOTHKJRST-UHFFFAOYSA-N 1 0 333.431 3.721 50 0 EHAARO Cc1nc(C(F)(F)F)ccc1-c1n[nH]c2c1C[N@H+](CC1CC1)CC2 ZINC000020586874 202049933 /nfs/dbraw/zinc/04/99/33/202049933.db2.gz XWOHVPIPAKBVIQ-UHFFFAOYSA-N 1 0 336.361 3.567 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccsc1)c1cccc(OC)c1 ZINC000023190491 202100229 /nfs/dbraw/zinc/10/02/29/202100229.db2.gz DVBYDARWFQTMKV-KRWDZBQOSA-N 1 0 332.469 3.570 50 0 EHAARO Cc1cccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1 ZINC000023382017 202103485 /nfs/dbraw/zinc/10/34/85/202103485.db2.gz SZOHAEOOYVCPAH-UHFFFAOYSA-N 1 0 336.479 3.866 50 0 EHAARO Brc1ccccc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000023402601 202103628 /nfs/dbraw/zinc/10/36/28/202103628.db2.gz YGMFNQUHIVIHAR-UHFFFAOYSA-N 1 0 334.213 3.510 50 0 EHAARO COc1cc2[nH+]c(N3CCCCCC3)cc(C)c2c(OC)c1OC ZINC000023634406 202105614 /nfs/dbraw/zinc/10/56/14/202105614.db2.gz MDXYDKIEOWHVGN-UHFFFAOYSA-N 1 0 330.428 3.949 50 0 EHAARO CCOc1ccccc1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000024810616 202121873 /nfs/dbraw/zinc/12/18/73/202121873.db2.gz UEYLUELBRQTITA-UHFFFAOYSA-N 1 0 326.440 3.718 50 0 EHAARO C[NH+](C)[C@H](CNC(=S)Nc1ccc(F)cc1F)c1cccs1 ZINC000023776243 202107951 /nfs/dbraw/zinc/10/79/51/202107951.db2.gz KNYVNLVBBGJOQS-CYBMUJFWSA-N 1 0 341.452 3.616 50 0 EHAARO CC(C)(CNC(=O)Nc1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000024744072 202120966 /nfs/dbraw/zinc/12/09/66/202120966.db2.gz FUMOKUJEDXAYHP-UHFFFAOYSA-N 1 0 341.430 3.784 50 0 EHAARO COc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cc(OC)c1 ZINC000025356553 202129536 /nfs/dbraw/zinc/12/95/36/202129536.db2.gz IEIYQAQVAZSTJJ-HNNXBMFYSA-N 1 0 337.423 3.740 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cc(F)c(F)cc1Cl)c1ccsc1 ZINC000025810627 202136215 /nfs/dbraw/zinc/13/62/15/202136215.db2.gz HWPITSRABUHFLX-CQSZACIVSA-N 1 0 344.814 3.712 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000027794444 202160288 /nfs/dbraw/zinc/16/02/88/202160288.db2.gz IMFPSWGHUFEIHD-LJQANCHMSA-N 1 0 326.415 3.701 50 0 EHAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000029197082 202182628 /nfs/dbraw/zinc/18/26/28/202182628.db2.gz BIKYQTFQLGTURS-LJQANCHMSA-N 1 0 341.842 3.835 50 0 EHAARO CC[C@@H](CNc1nc(-c2ccncc2)nc2ccccc21)[NH+]1CCCC1 ZINC000029627305 202189276 /nfs/dbraw/zinc/18/92/76/202189276.db2.gz UVSVNSXFRBDHQE-KRWDZBQOSA-N 1 0 347.466 3.978 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1OC)c1ccsc1 ZINC000031097329 202202394 /nfs/dbraw/zinc/20/23/94/202202394.db2.gz QKJMEQIGOOHAPZ-INIZCTEOSA-N 1 0 347.484 3.961 50 0 EHAARO Cc1cccc2c(=O)n(CC[C@@H]3CCCC[N@@H+]3C3CCCC3)cnc12 ZINC000032580947 202227442 /nfs/dbraw/zinc/22/74/42/202227442.db2.gz KRNVTGFXKJQBFW-SFHVURJKSA-N 1 0 339.483 3.892 50 0 EHAARO Cc1ccc(NC(=O)[C@H]([NH2+]CCc2ccccn2)c2ccccc2)cc1 ZINC000033040236 202247958 /nfs/dbraw/zinc/24/79/58/202247958.db2.gz PGLLWVGFEKNRME-OAQYLSRUSA-N 1 0 345.446 3.902 50 0 EHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000033982650 202271524 /nfs/dbraw/zinc/27/15/24/202271524.db2.gz GLWKVBMAXIHLJD-FAWMDMTCSA-N 1 0 349.559 3.732 50 0 biogenic EHAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1)CC(C)C ZINC000036096758 202314390 /nfs/dbraw/zinc/31/43/90/202314390.db2.gz IRYGMFCXWPAQBB-FQEVSTJZSA-N 1 0 327.468 3.893 50 0 EHAARO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000036103134 202316351 /nfs/dbraw/zinc/31/63/51/202316351.db2.gz KNWSCDAOAHNKGY-QGZVFWFLSA-N 1 0 349.833 3.883 50 0 EHAARO Cc1oc(C)c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000036390696 202324499 /nfs/dbraw/zinc/32/44/99/202324499.db2.gz IVMTTZHXPRSZTR-UHFFFAOYSA-N 1 0 340.467 3.908 50 0 EHAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000072298360 202362812 /nfs/dbraw/zinc/36/28/12/202362812.db2.gz KKYFWNLQUOLRMD-HNNXBMFYSA-N 1 0 349.862 3.741 50 0 EHAARO COc1ccc(C[NH2+]CCc2coc(-c3ccc(C)cc3)n2)cc1O ZINC000078552474 202396344 /nfs/dbraw/zinc/39/63/44/202396344.db2.gz UOFRAJYFSNVOMM-UHFFFAOYSA-N 1 0 338.407 3.697 50 0 EHAARO CC(C)CO[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000040108132 202423678 /nfs/dbraw/zinc/42/36/78/202423678.db2.gz FHKAAUJLFYETFC-QZTJIDSGSA-N 1 0 346.515 3.738 50 0 EHAARO C[C@H](SCc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040140901 202426049 /nfs/dbraw/zinc/42/60/49/202426049.db2.gz FJNOKWXBFULCMC-HOCLYGCPSA-N 1 0 348.537 3.789 50 0 EHAARO O[C@H](C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000229719785 201043322 /nfs/dbraw/zinc/04/33/22/201043322.db2.gz FMZGXERDRMQOEO-SJLPKXTDSA-N 1 0 333.378 3.811 50 0 EHAARO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226733 202578307 /nfs/dbraw/zinc/57/83/07/202578307.db2.gz HWKYAZIXSGNSND-LEWJYISDSA-N 1 0 334.463 3.639 50 0 EHAARO O=C(C[NH+]1CCCCC1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000051086175 202636733 /nfs/dbraw/zinc/63/67/33/202636733.db2.gz UCUKFURPHXZMBI-HXUWFJFHSA-N 1 0 340.492 3.708 50 0 EHAARO Cc1noc(C)c1CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332686 202710888 /nfs/dbraw/zinc/71/08/88/202710888.db2.gz DJBVCSITSUXZFM-UHFFFAOYSA-N 1 0 341.455 3.501 50 0 EHAARO O=C(CCc1ccccc1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127987 212351639 /nfs/dbraw/zinc/35/16/39/212351639.db2.gz ZELDYMZAHBPCCD-UHFFFAOYSA-N 1 0 336.479 3.648 50 0 EHAARO CC(C)N(CC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000022925674 212335601 /nfs/dbraw/zinc/33/56/01/212335601.db2.gz DFFSEUSDCHHYTB-OAHLLOKOSA-N 1 0 339.911 3.766 50 0 EHAARO Cc1cccc(-c2ncc(C[NH+]3CCC(Cn4cccn4)CC3)cn2)c1 ZINC000215323884 241120627 /nfs/dbraw/zinc/12/06/27/241120627.db2.gz XFDFEYMUZFJPNT-UHFFFAOYSA-N 1 0 347.466 3.561 50 0 EHAARO O=C(N1CCC[C@@H]1c1ccccn1)C1([NH+]2CCCCC2)CCCCC1 ZINC000215318193 241119597 /nfs/dbraw/zinc/11/95/97/241119597.db2.gz QVMHKEBFPYORJP-LJQANCHMSA-N 1 0 341.499 3.934 50 0 EHAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(OCCn2ccnc2)cc1 ZINC000215840129 241150372 /nfs/dbraw/zinc/15/03/72/241150372.db2.gz WCQXLJHLHMEEPA-KRWDZBQOSA-N 1 0 336.439 3.550 50 0 EHAARO CCCn1ccnc1CN1CCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000216202916 241175973 /nfs/dbraw/zinc/17/59/73/241175973.db2.gz MRIJCZBOSRZRLJ-LJQANCHMSA-N 1 0 326.488 3.692 50 0 EHAARO CCCO[C@@H]1CCC[N@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000215616691 241133389 /nfs/dbraw/zinc/13/33/89/241133389.db2.gz RNSXRDCQVBAYFJ-LJQANCHMSA-N 1 0 341.455 3.543 50 0 EHAARO CC(C)CC[C@]1(CC(=O)NCCC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000009577190 201494647 /nfs/dbraw/zinc/49/46/47/201494647.db2.gz YHGRPYNJENYRNB-QUCCMNQESA-N 1 0 340.552 3.702 50 0 EHAARO C[C@@H](c1nc(C2CC2)no1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562684 242177919 /nfs/dbraw/zinc/17/79/19/242177919.db2.gz INSZUGQZZQQQHM-HOTGVXAUSA-N 1 0 332.492 3.596 50 0 EHAARO C[NH+](C)CCCN(Cc1ccccc1)C(=S)NCc1ccccc1 ZINC000003398318 201568952 /nfs/dbraw/zinc/56/89/52/201568952.db2.gz TWLWPICPLKFFFF-UHFFFAOYSA-N 1 0 341.524 3.515 50 0 EHAARO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCCCCCC1 ZINC000006626666 201688153 /nfs/dbraw/zinc/68/81/53/201688153.db2.gz GKXXTNNBKYSBRR-CYBMUJFWSA-N 1 0 332.271 3.999 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000244608507 243044695 /nfs/dbraw/zinc/04/46/95/243044695.db2.gz FDYCJIGSJPKLPP-HNNXBMFYSA-N 1 0 327.497 3.869 50 0 EHAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3cncn3C3CCCCC3)C2)n1 ZINC000244659712 243050508 /nfs/dbraw/zinc/05/05/08/243050508.db2.gz HHQPTDBEHDWFSC-SFHVURJKSA-N 1 0 327.476 3.649 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@H]2C[C@H]2c2ccc(C)s2)C2CC2)CC1 ZINC000069517260 203011351 /nfs/dbraw/zinc/01/13/51/203011351.db2.gz ZSMLSQFZQQBCTP-SJORKVTESA-N 1 0 332.513 3.635 50 0 EHAARO COC[C@H](C)[N@H+](Cc1ccc(F)cc1)Cc1[nH]cc(C)c(=O)c1C ZINC000253536399 244012725 /nfs/dbraw/zinc/01/27/25/244012725.db2.gz PFYDIAFXKZHYEF-AWEZNQCLSA-N 1 0 332.419 3.580 50 0 EHAARO Cc1[nH]c2c(cc(C)cc2CNC(=O)CCC[NH+]2CCCC2)c1C ZINC000071767698 203112079 /nfs/dbraw/zinc/11/20/79/203112079.db2.gz URLINHJYESYPAL-UHFFFAOYSA-N 1 0 327.472 3.585 50 0 EHAARO O=c1[nH]ccc2ccc(-c3cc(O)cc(CC[C@@H]4CCCC[NH2+]4)c3)cc21 ZINC000071589664 203099450 /nfs/dbraw/zinc/09/94/50/203099450.db2.gz ACEGDWSQSYKGSM-IBGZPJMESA-N 1 0 348.446 3.975 50 0 EHAARO COc1ccc(C(C)C)cc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000071761484 203109370 /nfs/dbraw/zinc/10/93/70/203109370.db2.gz OQRFRCZEJGCHEI-UHFFFAOYSA-N 1 0 344.499 3.653 50 0 EHAARO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)c(OC)c1OC ZINC000071760244 203109451 /nfs/dbraw/zinc/10/94/51/203109451.db2.gz DGACRGZYHCYRCK-KZNFOHLHSA-N 1 0 331.456 3.580 50 0 EHAARO CC(C)[C@H]1CN(C(=O)N2CCCC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071762477 203111077 /nfs/dbraw/zinc/11/10/77/203111077.db2.gz FKXINGHCSKDZKK-LJQANCHMSA-N 1 0 347.478 3.574 50 0 EHAARO c1coc(C[NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)c1 ZINC000071792626 203113443 /nfs/dbraw/zinc/11/34/43/203113443.db2.gz OIVXPBUVJGSPJM-UHFFFAOYSA-N 1 0 337.423 3.689 50 0 EHAARO COc1cccc([C@H](C[NH2+]Cc2ccccc2OC)N2CCCC2)c1 ZINC000071798758 203114830 /nfs/dbraw/zinc/11/48/30/203114830.db2.gz ZCGJWKXKBABLJU-FQEVSTJZSA-N 1 0 340.467 3.631 50 0 EHAARO CCC(=O)Nc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000071907506 203146558 /nfs/dbraw/zinc/14/65/58/203146558.db2.gz GGUZRJMZIPKWPC-OAHLLOKOSA-N 1 0 331.460 3.547 50 0 EHAARO CC(C)C[N@H+](C[C@@H](O)c1ccccc1)[C@@H](C)c1nc(C2CC2)no1 ZINC000071912080 203148410 /nfs/dbraw/zinc/14/84/10/203148410.db2.gz MZKVMPOGWXOPGN-WMLDXEAASA-N 1 0 329.444 3.700 50 0 EHAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000072158458 203176282 /nfs/dbraw/zinc/17/62/82/203176282.db2.gz VCUQGJVJALGQNA-GOSISDBHSA-N 1 0 348.450 3.514 50 0 EHAARO COc1coc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)cc1=O ZINC000072168856 203181042 /nfs/dbraw/zinc/18/10/42/203181042.db2.gz VCQFJIRCASSANK-OAHLLOKOSA-N 1 0 345.414 3.632 50 0 EHAARO Cc1ccc(OC2CC[NH+](CCn3ncc4ccccc43)CC2)cc1 ZINC000020167214 212108442 /nfs/dbraw/zinc/10/84/42/212108442.db2.gz ROLITIUQFDRIFS-UHFFFAOYSA-N 1 0 335.451 3.888 50 0 EHAARO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000072473100 203230805 /nfs/dbraw/zinc/23/08/05/203230805.db2.gz QEQURUGJQIRTCJ-UHFFFAOYSA-N 1 0 339.483 3.875 50 0 EHAARO Cc1ccc(-c2nccn2-c2ccc(OC3CC[NH+](C)CC3)cc2)o1 ZINC000072477057 203231644 /nfs/dbraw/zinc/23/16/44/203231644.db2.gz RRLUKPZYGIYNKF-UHFFFAOYSA-N 1 0 337.423 3.914 50 0 EHAARO C[C@@H](C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)[NH+]1CCCC1 ZINC000072418120 203218653 /nfs/dbraw/zinc/21/86/53/203218653.db2.gz HPWFWEDJVORLJD-ZDUSSCGKSA-N 1 0 338.854 3.816 50 0 EHAARO COCc1ncc(C[NH+]2CCC(Sc3cccc(C)c3)CC2)cn1 ZINC000072427131 203221677 /nfs/dbraw/zinc/22/16/77/203221677.db2.gz AUHFDKQYTMSDOQ-UHFFFAOYSA-N 1 0 343.496 3.688 50 0 EHAARO c1nc(-c2ccccc2)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)s1 ZINC000077287177 203376767 /nfs/dbraw/zinc/37/67/67/203376767.db2.gz RUGCWMMWYONSJS-INIZCTEOSA-N 1 0 344.480 3.628 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cn1 ZINC000077322117 203379294 /nfs/dbraw/zinc/37/92/94/203379294.db2.gz FZPMJHLMTOZMDC-IBGZPJMESA-N 1 0 349.482 3.981 50 0 EHAARO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000077427831 203388251 /nfs/dbraw/zinc/38/82/51/203388251.db2.gz HIFSXRZQCGVARH-QGZVFWFLSA-N 1 0 338.854 3.846 50 0 EHAARO COCCC[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)nc2)C1 ZINC000077455557 203389631 /nfs/dbraw/zinc/38/96/31/203389631.db2.gz CWCOLESCYBDSTD-OAHLLOKOSA-N 1 0 331.485 3.844 50 0 EHAARO Cc1csc(C(=O)NCC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000043971543 204291097 /nfs/dbraw/zinc/29/10/97/204291097.db2.gz LEVFDCDWCKVGNM-UHFFFAOYSA-N 1 0 334.510 3.760 50 0 EHAARO COCc1ccc(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000124439784 204962217 /nfs/dbraw/zinc/96/22/17/204962217.db2.gz DSHWZGZTUIRLJE-KRWDZBQOSA-N 1 0 335.451 3.929 50 0 EHAARO COc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)c(OC)c1 ZINC000000279607 206223558 /nfs/dbraw/zinc/22/35/58/206223558.db2.gz FRBOSQJLOCHVIY-UHFFFAOYSA-N 1 0 340.467 3.823 50 0 EHAARO CCSCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299771928 258084406 /nfs/dbraw/zinc/08/44/06/258084406.db2.gz XYBRBJWBGTUPDI-INIZCTEOSA-N 1 0 340.920 3.736 50 0 EHAARO c1cc(C[NH2+]Cc2ccncc2)cc(OCCCc2ccncc2)c1 ZINC000299800345 258103623 /nfs/dbraw/zinc/10/36/23/258103623.db2.gz VUHYFSWEYMVQDS-UHFFFAOYSA-N 1 0 333.435 3.778 50 0 EHAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)cn2)cc1C ZINC000216032520 258072393 /nfs/dbraw/zinc/07/23/93/258072393.db2.gz KTNOJYZHVOUALT-LJQANCHMSA-N 1 0 347.466 3.659 50 0 EHAARO CSc1ccccc1-c1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000299757287 258075637 /nfs/dbraw/zinc/07/56/37/258075637.db2.gz KLXRGUVGYXVFLM-INIZCTEOSA-N 1 0 326.465 3.639 50 0 EHAARO [NH3+][C@@H]1CCN(C(=O)c2cccc(-c3ccccc3C(F)(F)F)c2)C1 ZINC000299763332 258080145 /nfs/dbraw/zinc/08/01/45/258080145.db2.gz ZEJMULSSFYOTQD-CQSZACIVSA-N 1 0 334.341 3.546 50 0 EHAARO C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Br)s1 ZINC000095968103 518183227 /nfs/dbraw/zinc/18/32/27/518183227.db2.gz LHAWZDWMQFUVFL-XYZCENFISA-N 1 0 338.336 3.708 50 0 EHAARO COc1cccc([C@H](O)C[NH2+][C@@H](C)Cc2nc3ccccc3s2)c1 ZINC000095422287 524167136 /nfs/dbraw/zinc/16/71/36/524167136.db2.gz FXCRFZAOVWGSLY-SUMWQHHRSA-N 1 0 342.464 3.559 50 0 EHAARO CC(C)Oc1cccc(OCCN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000243957126 535050367 /nfs/dbraw/zinc/05/03/67/535050367.db2.gz CGGJRCZSKUCUTM-UHFFFAOYSA-N 1 0 346.515 3.803 50 0 EHAARO CC(C)[C@@H](C)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 ZINC000055131678 535166259 /nfs/dbraw/zinc/16/62/59/535166259.db2.gz XLGRDSGJCNCQGY-IAGOWNOFSA-N 1 0 343.515 3.805 50 0 EHAARO CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1(C)C ZINC000230109788 535371846 /nfs/dbraw/zinc/37/18/46/535371846.db2.gz DJLXGWSJBPPVIH-NUJGCVRESA-N 1 0 330.472 3.771 50 0 EHAARO COc1cccc([C@@H]2CC[N@@H+]2Cc2cccc(Cn3cccn3)c2)c1 ZINC000215236749 537138750 /nfs/dbraw/zinc/13/87/50/537138750.db2.gz SZYAQRCDQLMVCO-NRFANRHFSA-N 1 0 333.435 3.887 50 0 EHAARO Cc1ncsc1C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000095421954 564140014 /nfs/dbraw/zinc/14/00/14/564140014.db2.gz CWBWWCZUMDGNIA-GFCCVEGCSA-N 1 0 339.258 3.827 50 0 EHAARO Cc1nc(NC[C@H](c2ccccc2)[NH+](C)C)ccc1Br ZINC000095460585 564140764 /nfs/dbraw/zinc/14/07/64/564140764.db2.gz WMOMDSNLTBVYLE-OAHLLOKOSA-N 1 0 334.261 3.867 50 0 EHAARO O=C(Nc1ccc(F)cc1)N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000000119875 563233682 /nfs/dbraw/zinc/23/36/82/563233682.db2.gz TUEJZIKGGSARDM-UHFFFAOYSA-N 1 0 341.430 3.608 50 0 EHAARO COC(=O)Nc1ncc(C[NH+]2CCC(c3ccccc3)CC2)s1 ZINC000000340359 563285938 /nfs/dbraw/zinc/28/59/38/563285938.db2.gz XSSWBZATTHQFFN-UHFFFAOYSA-N 1 0 331.441 3.701 50 0 EHAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000000556323 563345527 /nfs/dbraw/zinc/34/55/27/563345527.db2.gz RHHARPKGODOXTE-UHFFFAOYSA-N 1 0 343.858 3.653 50 0 EHAARO Cc1[nH]c2c(c1CC[NH3+])c(Br)ccc2Br ZINC000001235010 563381055 /nfs/dbraw/zinc/38/10/55/563381055.db2.gz RICWQHZGIVWDMG-UHFFFAOYSA-N 1 0 332.039 3.503 50 0 EHAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(Br)cc1C ZINC000002822670 563452924 /nfs/dbraw/zinc/45/29/24/563452924.db2.gz VTMSWKGMOQBMIO-ZDUSSCGKSA-N 1 0 330.266 3.541 50 0 EHAARO O=C([C@@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CCCCCC1 ZINC000004745281 563510037 /nfs/dbraw/zinc/51/00/37/563510037.db2.gz NZRUILYHRIXQRG-HXUWFJFHSA-N 1 0 328.500 3.734 50 0 EHAARO COc1ccccc1N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000004981204 563517005 /nfs/dbraw/zinc/51/70/05/563517005.db2.gz DFYFPBPADFHWFI-UHFFFAOYSA-N 1 0 326.484 3.642 50 0 EHAARO CCC[NH+]1CCN(C(=S)Nc2cccc(Cl)c2Cl)CC1 ZINC000005041253 563519429 /nfs/dbraw/zinc/51/94/29/563519429.db2.gz QUZJEJRLKCDNQR-UHFFFAOYSA-N 1 0 332.300 3.718 50 0 EHAARO CCCc1nc2ccccc2c(NC(=O)C[NH+]2CCCC2)c1CC ZINC000005250209 563524434 /nfs/dbraw/zinc/52/44/34/563524434.db2.gz AHRFSLSSCBSAGC-UHFFFAOYSA-N 1 0 325.456 3.784 50 0 EHAARO C[NH+]1CCN(c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000009750890 563645192 /nfs/dbraw/zinc/64/51/92/563645192.db2.gz NZONRDZYZSFTNT-UHFFFAOYSA-N 1 0 344.846 3.736 50 0 EHAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000011753887 563650733 /nfs/dbraw/zinc/65/07/33/563650733.db2.gz LZMKAPDRNWWICB-UHFFFAOYSA-N 1 0 341.451 3.976 50 0 EHAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012306450 563657631 /nfs/dbraw/zinc/65/76/31/563657631.db2.gz FJSYZJOSMYJKIO-FQEVSTJZSA-N 1 0 338.451 3.974 50 0 EHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)C1CCCC1 ZINC000012442254 563660751 /nfs/dbraw/zinc/66/07/51/563660751.db2.gz BAQYAAAEGCEWFX-SFHVURJKSA-N 1 0 346.490 3.729 50 0 EHAARO C[N@H+](Cc1nc(Cc2ccccc2Cl)no1)C(C1CC1)C1CC1 ZINC000012718545 563668990 /nfs/dbraw/zinc/66/89/90/563668990.db2.gz SKTXPANGEKEILK-UHFFFAOYSA-N 1 0 331.847 3.934 50 0 EHAARO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000012810789 563674374 /nfs/dbraw/zinc/67/43/74/563674374.db2.gz GQRJUNCNKJFHIO-IRXDYDNUSA-N 1 0 338.451 3.791 50 0 EHAARO CCC[NH2+][C@@H](CC)c1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000004421504 563699627 /nfs/dbraw/zinc/69/96/27/563699627.db2.gz XSYGKKPPIRIJHA-SFHVURJKSA-N 1 0 335.451 3.896 50 0 EHAARO CC(=O)c1c(C)nc(-c2ccccc2)nc1SCCC[NH+](C)C ZINC000013655487 563707478 /nfs/dbraw/zinc/70/74/78/563707478.db2.gz MDTXWVNNJBDKBU-UHFFFAOYSA-N 1 0 329.469 3.698 50 0 EHAARO CC[N@@H+]1CCC[C@@](C(=O)NCc2cccs2)(c2ccccc2)CC1 ZINC000065226085 563764212 /nfs/dbraw/zinc/76/42/12/563764212.db2.gz WFLKWGOECQDCOQ-FQEVSTJZSA-N 1 0 342.508 3.808 50 0 EHAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000014971912 563768999 /nfs/dbraw/zinc/76/89/99/563768999.db2.gz NQTVLPJAGRQXGN-KRWDZBQOSA-N 1 0 344.503 3.861 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc2c1OCO2 ZINC000015066077 563775078 /nfs/dbraw/zinc/77/50/78/563775078.db2.gz PNSJLVVZLLBBET-KRWDZBQOSA-N 1 0 340.423 3.500 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccnc2SC)cc1 ZINC000016110027 563804102 /nfs/dbraw/zinc/80/41/02/563804102.db2.gz SOAHNVHBURIQNN-UHFFFAOYSA-N 1 0 343.496 3.575 50 0 EHAARO C[C@H]1Cc2ccccc2N1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043127296 563845924 /nfs/dbraw/zinc/84/59/24/563845924.db2.gz KLELMSCHWVUGCS-XJKSGUPXSA-N 1 0 329.469 3.512 50 0 EHAARO Cc1cccc(-c2ccc(N3CCC([NH2+]CCCCO)CC3)cc2)c1 ZINC000020233683 563859104 /nfs/dbraw/zinc/85/91/04/563859104.db2.gz HALNIZOHEQSJII-UHFFFAOYSA-N 1 0 338.495 3.993 50 0 EHAARO COc1ccc(Cl)cc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000048713119 563924561 /nfs/dbraw/zinc/92/45/61/563924561.db2.gz LJYRKXFTJDSFKY-UHFFFAOYSA-N 1 0 331.847 3.502 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000044932064 563928353 /nfs/dbraw/zinc/92/83/53/563928353.db2.gz UBZFMRNYQLTPFC-UHFFFAOYSA-N 1 0 340.442 3.663 50 0 EHAARO CO[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 ZINC000055035908 563933310 /nfs/dbraw/zinc/93/33/10/563933310.db2.gz MKEVGKCJVGAWBN-OAHLLOKOSA-N 1 0 331.416 3.755 50 0 EHAARO COCC[N@H+](Cc1cccs1)Cc1ccc(-c2cc[nH]n2)s1 ZINC000055253897 563934136 /nfs/dbraw/zinc/93/41/36/563934136.db2.gz IWQVZNXCQLTZCL-UHFFFAOYSA-N 1 0 333.482 3.848 50 0 EHAARO Cc1cc(C)n(CCC[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)n1 ZINC000055243098 563934155 /nfs/dbraw/zinc/93/41/55/563934155.db2.gz XVHXETKPMZLUPE-HXUWFJFHSA-N 1 0 345.462 3.710 50 0 EHAARO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc(C)c(OC(C)=O)c(C)c2)c1C ZINC000055309988 563934437 /nfs/dbraw/zinc/93/44/37/563934437.db2.gz ZQDYKKPCPLWTPB-AWEZNQCLSA-N 1 0 343.471 3.913 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccc(Cn3cccn3)c2)c1 ZINC000055370076 563934589 /nfs/dbraw/zinc/93/45/89/563934589.db2.gz PKYOEKGRGZAGLR-GOSISDBHSA-N 1 0 334.467 3.698 50 0 EHAARO COc1ccc(C[N@H+](C)CCSc2ccc(C)cc2)cc1CO ZINC000055413651 563934771 /nfs/dbraw/zinc/93/47/71/563934771.db2.gz ATDZRPUXULVABJ-UHFFFAOYSA-N 1 0 331.481 3.720 50 0 EHAARO Cc1cccc(-c2ncc(C[NH2+][C@@H](C)Cc3ncccc3C)cn2)c1 ZINC000055405121 563934790 /nfs/dbraw/zinc/93/47/90/563934790.db2.gz IKUCLTFNHZFPKY-KRWDZBQOSA-N 1 0 332.451 3.876 50 0 EHAARO Cc1cccc(NC(=O)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000057530818 563935741 /nfs/dbraw/zinc/93/57/41/563935741.db2.gz UYXIPCUIWFCNPW-UHFFFAOYSA-N 1 0 329.469 3.843 50 0 EHAARO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000058018576 563936741 /nfs/dbraw/zinc/93/67/41/563936741.db2.gz UXAFQCOZXNNIKU-CQSZACIVSA-N 1 0 348.516 3.913 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(Cl)s1 ZINC000058394278 563944853 /nfs/dbraw/zinc/94/48/53/563944853.db2.gz AFBRXYWTRKOBNU-UHFFFAOYSA-N 1 0 326.897 3.614 50 0 EHAARO COc1c(C[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)c(C(C)C)nn1C ZINC000058405335 563944978 /nfs/dbraw/zinc/94/49/78/563944978.db2.gz IABNGTQYJKYKIT-LJQANCHMSA-N 1 0 343.471 3.802 50 0 EHAARO O=C(N[C@@H]1CCOc2ccccc21)c1cccc(C[NH+]2CCCC2)c1 ZINC000058406686 563945052 /nfs/dbraw/zinc/94/50/52/563945052.db2.gz MNYWQCNCKLBQHW-LJQANCHMSA-N 1 0 336.435 3.536 50 0 EHAARO C[C@H]([NH2+]Cc1ccncc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000096491266 563955623 /nfs/dbraw/zinc/95/56/23/563955623.db2.gz KMJGCFZBBJVJLG-LBPRGKRZSA-N 1 0 331.803 3.542 50 0 EHAARO C[C@@H](NC(=O)CC[NH+]1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000065372094 563958501 /nfs/dbraw/zinc/95/85/01/563958501.db2.gz CQSFJNQUJBJOBY-QGZVFWFLSA-N 1 0 337.467 3.529 50 0 EHAARO CC(=O)Nc1cccc(-c2nc(C(C)C)nn2-c2cc[nH+]c(C)c2)c1 ZINC000065374737 563958745 /nfs/dbraw/zinc/95/87/45/563958745.db2.gz LOOISKIIKYKLTM-UHFFFAOYSA-N 1 0 335.411 3.720 50 0 EHAARO O=C(CC[N@@H+]1CCCC[C@H]1c1cccnc1)NC1CCCCCC1 ZINC000065376174 563958932 /nfs/dbraw/zinc/95/89/32/563958932.db2.gz CQMZFNYAZYZJNP-IBGZPJMESA-N 1 0 329.488 3.838 50 0 EHAARO CCC[C@@H]1C=CC[N@@H+]1Cc1ccc(C(=O)Nc2ccc(C)nn2)cc1 ZINC000065396309 563959744 /nfs/dbraw/zinc/95/97/44/563959744.db2.gz WQYLGMUUUYYYKS-GOSISDBHSA-N 1 0 336.439 3.578 50 0 EHAARO COc1ccc(C[N@H+]2CC=C(c3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000065525947 563961767 /nfs/dbraw/zinc/96/17/67/563961767.db2.gz IIDLYJGCBWHYSX-UHFFFAOYSA-N 1 0 325.456 3.936 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000067650339 563962421 /nfs/dbraw/zinc/96/24/21/563962421.db2.gz CTIUETYFJHESJU-QGZVFWFLSA-N 1 0 336.483 3.553 50 0 EHAARO CCCO[C@H]1CCC[N@H+](Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000067722926 563962554 /nfs/dbraw/zinc/96/25/54/563962554.db2.gz YEVXJZMEMCRYOG-INIZCTEOSA-N 1 0 334.847 3.573 50 0 EHAARO Cc1cccc(C)c1Oc1ncccc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000067774713 563962701 /nfs/dbraw/zinc/96/27/01/563962701.db2.gz MZZPGMOOBQBUBE-LJQANCHMSA-N 1 0 337.467 3.675 50 0 EHAARO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1 ZINC000067834460 563962884 /nfs/dbraw/zinc/96/28/84/563962884.db2.gz PZXUYAPFUGTBIQ-GHTZIAJQSA-N 1 0 338.426 3.966 50 0 EHAARO CC(C)[C@@H]([NH2+]Cc1cc2ccnc(Cl)c2s1)c1nncn1C ZINC000585136610 563971911 /nfs/dbraw/zinc/97/19/11/563971911.db2.gz MXEOUYFBVLZWTL-GFCCVEGCSA-N 1 0 335.864 3.565 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCc2ccccc2C1 ZINC000004746299 563973083 /nfs/dbraw/zinc/97/30/83/563973083.db2.gz GOXAGARIXTUIPU-SFHVURJKSA-N 1 0 340.492 3.545 50 0 EHAARO CCn1cc(CN[C@@H](C)c2ccc(C(F)(F)F)nc2Cl)cn1 ZINC000585140036 563973374 /nfs/dbraw/zinc/97/33/74/563973374.db2.gz UQKWTLXVKHPSHE-VIFPVBQESA-N 1 0 332.757 3.821 50 0 EHAARO COc1ccc(OC)c2c(=O)c(C[N@@H+]3CCCC[C@@H]3C)c(C)[nH]c12 ZINC000008717349 563974625 /nfs/dbraw/zinc/97/46/25/563974625.db2.gz OKANURXPTRDENB-LBPRGKRZSA-N 1 0 330.428 3.640 50 0 EHAARO COc1ccnc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c1OC ZINC000091306140 563975274 /nfs/dbraw/zinc/97/52/74/563975274.db2.gz XSBOFKPVHSIQGW-HXUWFJFHSA-N 1 0 326.440 3.653 50 0 EHAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)cc1 ZINC000091350779 563975302 /nfs/dbraw/zinc/97/53/02/563975302.db2.gz UYOAJIVQMBKNCJ-LJQANCHMSA-N 1 0 348.446 3.899 50 0 EHAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1csc(C(C)=O)c1)C2 ZINC000091486932 563975399 /nfs/dbraw/zinc/97/53/99/563975399.db2.gz LHVACHJFYIIAOE-FUHWJXTLSA-N 1 0 332.513 3.813 50 0 EHAARO CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000091493735 563975455 /nfs/dbraw/zinc/97/54/55/563975455.db2.gz YPHUZYZPSLCZMP-XMSQKQJNSA-N 1 0 348.490 3.986 50 0 EHAARO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3ccncc3)C4)ccc2[nH]1 ZINC000091526777 563975501 /nfs/dbraw/zinc/97/55/01/563975501.db2.gz WBXQNZZHAPGYFA-PZJWPPBQSA-N 1 0 346.478 3.659 50 0 EHAARO C[NH+](C)Cc1csc(-c2cn(Cc3ccccc3Cl)nn2)c1 ZINC000091779665 563975762 /nfs/dbraw/zinc/97/57/62/563975762.db2.gz JABVROYGPOKXNO-UHFFFAOYSA-N 1 0 332.860 3.770 50 0 EHAARO CCC[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@@H]1[NH3+] ZINC000091942997 563975906 /nfs/dbraw/zinc/97/59/06/563975906.db2.gz MJQRDERDGJCFAE-ZANVPECISA-N 1 0 334.769 3.558 50 0 EHAARO O=C1CC2(CN1Cc1ccc(F)c(F)c1)CC[NH+](C1CCCC1)CC2 ZINC000092038382 563976034 /nfs/dbraw/zinc/97/60/34/563976034.db2.gz IVEHJWHDLRLBCM-UHFFFAOYSA-N 1 0 348.437 3.722 50 0 EHAARO CN(c1ccccc1)c1ccccc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604345 563976358 /nfs/dbraw/zinc/97/63/58/563976358.db2.gz FGLHVENMXHCRLV-UHFFFAOYSA-N 1 0 349.478 3.765 50 0 EHAARO CC(C)[NH+]1CCC(CC(=O)N2CCCC[C@H]2c2ccccn2)CC1 ZINC000095361411 563976792 /nfs/dbraw/zinc/97/67/92/563976792.db2.gz HHDOXUBVRJCTDF-IBGZPJMESA-N 1 0 329.488 3.646 50 0 EHAARO Cc1ccc(C[N@@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000095364285 563976824 /nfs/dbraw/zinc/97/68/24/563976824.db2.gz DGEOPWOCBPTQMV-YTFSRNRJSA-N 1 0 348.490 3.763 50 0 EHAARO CCCOC[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000095361507 563976835 /nfs/dbraw/zinc/97/68/35/563976835.db2.gz ASPSWRZFMQEILB-LJQANCHMSA-N 1 0 344.499 3.561 50 0 EHAARO CN(C/C=C/c1ccccc1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095391884 563976918 /nfs/dbraw/zinc/97/69/18/563976918.db2.gz QCYKUOWWXYIUKW-JLXBBBJOSA-N 1 0 334.463 3.939 50 0 EHAARO C[NH+](C)CCOC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000095918192 563977747 /nfs/dbraw/zinc/97/77/47/563977747.db2.gz WWDLLPBJXFBSGW-NBVRZTHBSA-N 1 0 329.827 3.985 50 0 EHAARO FC(F)(F)Oc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000097675497 563981767 /nfs/dbraw/zinc/98/17/67/563981767.db2.gz CGDHQVVYJWWOFT-UHFFFAOYSA-N 1 0 325.334 3.688 50 0 EHAARO c1sc(CN2CCO[C@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775485 563981886 /nfs/dbraw/zinc/98/18/86/563981886.db2.gz RJYOPNWYXOGEJW-FQEVSTJZSA-N 1 0 342.508 3.917 50 0 EHAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NCCC(C)C)CC1 ZINC000000299492 563990379 /nfs/dbraw/zinc/99/03/79/563990379.db2.gz FXRVEISXWCGPSN-OBGWFSINSA-N 1 0 328.500 3.964 50 0 EHAARO Cn1c2ccccc2nc1[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000408514310 563992854 /nfs/dbraw/zinc/99/28/54/563992854.db2.gz CQEIKGLZZGTEBU-UZLBHIALSA-N 1 0 335.451 3.679 50 0 EHAARO C[C@@H](N[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1)[C@H](C)n1cccn1 ZINC000252475397 563997665 /nfs/dbraw/zinc/99/76/65/563997665.db2.gz ZRYLIHCXGKRKBK-AGIUHOORSA-N 1 0 345.834 3.887 50 0 EHAARO C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000252490720 563997805 /nfs/dbraw/zinc/99/78/05/563997805.db2.gz KZQPGAWBYCKPMV-KBPBESRZSA-N 1 0 348.491 3.821 50 0 EHAARO C[C@H]1C[C@@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC[N@@H+]1C ZINC000182863392 564001270 /nfs/dbraw/zinc/00/12/70/564001270.db2.gz WOAVPRXAFSJWMU-LPHOPBHVSA-N 1 0 344.503 3.989 50 0 EHAARO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)cc1 ZINC000151876231 564004820 /nfs/dbraw/zinc/00/48/20/564004820.db2.gz XFCJGVSPPGCBCM-HOTGVXAUSA-N 1 0 346.496 3.623 50 0 EHAARO CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2C)cc1 ZINC000151876145 564004835 /nfs/dbraw/zinc/00/48/35/564004835.db2.gz XFCJGVSPPGCBCM-JKSUJKDBSA-N 1 0 346.496 3.623 50 0 EHAARO CC(C)[NH+](CCn1cnc2c([nH]c3cccc(Cl)c32)c1=O)C(C)C ZINC000005518221 564004945 /nfs/dbraw/zinc/00/49/45/564004945.db2.gz ZKQWYWLWHVLEOR-UHFFFAOYSA-N 1 0 346.862 3.650 50 0 EHAARO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(-c2cncnc2)cc1 ZINC000155062103 564007846 /nfs/dbraw/zinc/00/78/46/564007846.db2.gz ICJPVIRUIAKCDF-CQSZACIVSA-N 1 0 346.425 3.524 50 0 EHAARO CCN(CC)c1ccc(C[NH2+]Cc2cnc3ccsc3c2)cn1 ZINC000168094665 564016878 /nfs/dbraw/zinc/01/68/78/564016878.db2.gz BCEJDUSOOAXPQS-UHFFFAOYSA-N 1 0 326.469 3.827 50 0 EHAARO CSc1ccc([C@@]2(O)Cc3cccc[n+]3[C@@H]2c2ccccc2)cc1 ZINC000000495523 564017991 /nfs/dbraw/zinc/01/79/91/564017991.db2.gz LLIBEQVYXSPFFD-RTWAWAEBSA-N 1 0 334.464 3.729 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)Nc2cccc(C)c2)[NH+](C)C)cc1 ZINC000018180250 564018598 /nfs/dbraw/zinc/01/85/98/564018598.db2.gz IMZDYDZMAINJEU-LJQANCHMSA-N 1 0 325.456 3.982 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)Cc2ccccc2)c2ccccc2n1 ZINC000051330927 564025240 /nfs/dbraw/zinc/02/52/40/564025240.db2.gz CEHHNKULQCVZBC-HNNXBMFYSA-N 1 0 333.435 3.703 50 0 EHAARO Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(C[NH+](C)C)c3)cc2)n1 ZINC000047452883 564026322 /nfs/dbraw/zinc/02/63/22/564026322.db2.gz SLZPSGGYIKKULI-UHFFFAOYSA-N 1 0 348.450 3.803 50 0 EHAARO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1ccc(Cl)s1 ZINC000106573585 564026482 /nfs/dbraw/zinc/02/64/82/564026482.db2.gz CHNZCKPBXMHSCD-STQMWFEESA-N 1 0 328.909 3.571 50 0 EHAARO Cc1sc2ncnc(N[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)c2c1C ZINC000108173537 564027986 /nfs/dbraw/zinc/02/79/86/564027986.db2.gz LKXVICHOVBNYEP-JKSUJKDBSA-N 1 0 338.480 3.818 50 0 EHAARO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000058581609 564031908 /nfs/dbraw/zinc/03/19/08/564031908.db2.gz REZYYXDTEFBQPW-HKUYNNGSSA-N 1 0 345.464 3.528 50 0 EHAARO O=C(Nc1cccc(C[NH2+]Cc2cccnc2)c1)c1cccc(F)c1 ZINC000048781501 564032209 /nfs/dbraw/zinc/03/22/09/564032209.db2.gz GBRFHQZCNAWMMJ-UHFFFAOYSA-N 1 0 335.382 3.763 50 0 EHAARO [NH3+]C1CC(c2cc(NCCc3ccc(Cl)cc3Cl)ncn2)C1 ZINC000223673699 564040586 /nfs/dbraw/zinc/04/05/86/564040586.db2.gz NWOLOELRMURQQI-UHFFFAOYSA-N 1 0 337.254 3.643 50 0 EHAARO CC(C)CC[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccoc1 ZINC000225632200 564048725 /nfs/dbraw/zinc/04/87/25/564048725.db2.gz VCRFXZCPTHJABP-LJQANCHMSA-N 1 0 343.471 3.778 50 0 EHAARO Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccccc2)c2ccc(F)cc12 ZINC000012422006 564051221 /nfs/dbraw/zinc/05/12/21/564051221.db2.gz WPWUNFUMDOILHK-SFHVURJKSA-N 1 0 326.415 3.548 50 0 EHAARO CCOc1ccccc1-c1csc(NC(=O)CC2CC[NH2+]CC2)n1 ZINC000241124312 564051865 /nfs/dbraw/zinc/05/18/65/564051865.db2.gz JHFOTEPNKJDIEV-UHFFFAOYSA-N 1 0 345.468 3.537 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=S)Nc1ccccc1 ZINC000005969549 564057353 /nfs/dbraw/zinc/05/73/53/564057353.db2.gz ZFZIIGPUWLXOFS-HKUYNNGSSA-N 1 0 337.492 4.000 50 0 biogenic EHAARO Cc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)no1 ZINC000299774420 564060823 /nfs/dbraw/zinc/06/08/23/564060823.db2.gz HPPGNIZBYJGSLL-UAGQMJEPSA-N 1 0 336.395 3.726 50 0 EHAARO O=C1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CCN1CC1CC1 ZINC000534589509 564061172 /nfs/dbraw/zinc/06/11/72/564061172.db2.gz KROCWNZIJYGNBF-QGZVFWFLSA-N 1 0 332.875 3.710 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000084736382 564069942 /nfs/dbraw/zinc/06/99/42/564069942.db2.gz XHOKHGATJYCMHL-VQIMIIECSA-N 1 0 339.483 3.608 50 0 EHAARO CC[NH+](CC)Cc1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015728207 564072456 /nfs/dbraw/zinc/07/24/56/564072456.db2.gz HRQJVKPJAXFVBO-UHFFFAOYSA-N 1 0 333.505 3.551 50 0 EHAARO CC(C)[N@H+](C)CC(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000063586677 564073349 /nfs/dbraw/zinc/07/33/49/564073349.db2.gz CXTVCZMBBONGKN-OAHLLOKOSA-N 1 0 343.496 3.694 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000078897516 564075168 /nfs/dbraw/zinc/07/51/68/564075168.db2.gz NYUFYUFJCPFYIJ-XHDPSFHLSA-N 1 0 346.368 3.581 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)c(C)sc2-n2cccc2)C1 ZINC000063852755 564082097 /nfs/dbraw/zinc/08/20/97/564082097.db2.gz IURFOBUBAYGMQM-INIZCTEOSA-N 1 0 345.512 3.617 50 0 EHAARO CCOCCC[NH2+][C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000006285524 564083572 /nfs/dbraw/zinc/08/35/72/564083572.db2.gz NLNBULPXJRVCKQ-HXUWFJFHSA-N 1 0 340.467 3.999 50 0 EHAARO Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000006877374 564086079 /nfs/dbraw/zinc/08/60/79/564086079.db2.gz PYKHHSBESMEPHF-UHFFFAOYSA-N 1 0 343.515 3.793 50 0 EHAARO CCOc1ccc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000241515742 564088357 /nfs/dbraw/zinc/08/83/57/564088357.db2.gz OHQMANMYSVAPKK-CABCVRRESA-N 1 0 335.517 3.635 50 0 EHAARO COc1cc(N2CCOC(C)(C)C2)ccc1NC1C[C@@H](C)O[C@H](C)C1 ZINC000092138807 564088843 /nfs/dbraw/zinc/08/88/43/564088843.db2.gz HHGVACGMAFAVDY-HUUCEWRRSA-N 1 0 348.487 3.678 50 0 EHAARO O[C@H](C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(F)ccc1F ZINC000248712132 564089277 /nfs/dbraw/zinc/08/92/77/564089277.db2.gz CXHGIFQJPBQTBQ-PNHOKKKMSA-N 1 0 347.405 3.756 50 0 EHAARO C[NH+]1CCC(NC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000054148049 564090309 /nfs/dbraw/zinc/09/03/09/564090309.db2.gz SPQMCCSPSNYCEZ-UHFFFAOYSA-N 1 0 347.462 3.514 50 0 EHAARO CO[C@H](c1nnc([C@@H](C)C[NH+]2CCCCCC2)o1)c1ccccc1 ZINC000521393911 564090878 /nfs/dbraw/zinc/09/08/78/564090878.db2.gz ZKLDLMAUYJIXQK-RDJZCZTQSA-N 1 0 329.444 3.785 50 0 EHAARO Cc1ccc(F)cc1-c1ccc(C(=O)N(C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000426527980 564093989 /nfs/dbraw/zinc/09/39/89/564093989.db2.gz PKILOBWJEPNBNY-MRXNPFEDSA-N 1 0 340.442 3.873 50 0 EHAARO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCCCCCC1 ZINC000006626673 564094669 /nfs/dbraw/zinc/09/46/69/564094669.db2.gz GKXXTNNBKYSBRR-ZDUSSCGKSA-N 1 0 332.271 3.999 50 0 EHAARO CCOc1ccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000006877163 564100383 /nfs/dbraw/zinc/10/03/83/564100383.db2.gz QLSPEWUWVDMMLO-UHFFFAOYSA-N 1 0 345.487 3.815 50 0 EHAARO CC(C)[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc(F)c(F)c1 ZINC000170073211 564105297 /nfs/dbraw/zinc/10/52/97/564105297.db2.gz GJKUXAQPMKHNJD-GOSISDBHSA-N 1 0 330.382 3.537 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1CN[C@H](C)c1ccc(F)cc1F ZINC000065512465 564106736 /nfs/dbraw/zinc/10/67/36/564106736.db2.gz FBJWSPKAJSKXAO-GFCCVEGCSA-N 1 0 336.430 3.739 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000065547736 564107350 /nfs/dbraw/zinc/10/73/50/564107350.db2.gz NYLZRRZGTQSYED-QGZVFWFLSA-N 1 0 344.503 3.529 50 0 EHAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2)C12CCCCC2 ZINC000170591962 564108812 /nfs/dbraw/zinc/10/88/12/564108812.db2.gz JGAJRZVBPQLPCG-CGTJXYLNSA-N 1 0 330.472 3.731 50 0 EHAARO C[C@H](c1cnccn1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000170596947 564109083 /nfs/dbraw/zinc/10/90/83/564109083.db2.gz BYWUENMUIZDAGA-QGZVFWFLSA-N 1 0 332.451 3.509 50 0 EHAARO NC(=O)[C@@H]1CCC[N@H+](CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC000170598157 564109163 /nfs/dbraw/zinc/10/91/63/564109163.db2.gz ICYMZLBZVILRFJ-CYBMUJFWSA-N 1 0 329.271 3.513 50 0 EHAARO Cc1cc2ncc([C@H](C)[NH2+]CCc3c[nH]c4ccccc34)c(C)n2n1 ZINC000089610790 564112700 /nfs/dbraw/zinc/11/27/00/564112700.db2.gz LLKGATMCFQUULG-AWEZNQCLSA-N 1 0 333.439 3.721 50 0 EHAARO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H]1C ZINC000014670673 564113165 /nfs/dbraw/zinc/11/31/65/564113165.db2.gz HAXAGOICPJHJRB-DBXWQHBBSA-N 1 0 342.527 3.882 50 0 EHAARO c1ccc2nc(C[N@@H+]3CCC[C@@H](c4noc(C5CC5)n4)C3)ccc2c1 ZINC000089873151 564114568 /nfs/dbraw/zinc/11/45/68/564114568.db2.gz PZGHKTPNBINQBZ-MRXNPFEDSA-N 1 0 334.423 3.875 50 0 EHAARO C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cncc(F)c1 ZINC000090044305 564116206 /nfs/dbraw/zinc/11/62/06/564116206.db2.gz PUMQWNSVWWELGE-LBPRGKRZSA-N 1 0 328.416 3.633 50 0 EHAARO CCOc1cccc(OCCOCC[N@H+](C)Cc2ccccc2)c1 ZINC000002822194 564116909 /nfs/dbraw/zinc/11/69/09/564116909.db2.gz VUNWSWSFLRILSH-UHFFFAOYSA-N 1 0 329.440 3.613 50 0 EHAARO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000252500755 564119826 /nfs/dbraw/zinc/11/98/26/564119826.db2.gz TVALGJWBVOLPHO-BHIYHBOVSA-N 1 0 346.540 3.755 50 0 EHAARO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000194076699 564120396 /nfs/dbraw/zinc/12/03/96/564120396.db2.gz POGTYOYTFJDCCF-QGZVFWFLSA-N 1 0 348.512 3.757 50 0 EHAARO Cc1cccc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1C ZINC000298297955 564125308 /nfs/dbraw/zinc/12/53/08/564125308.db2.gz LDGJELOGWNILEJ-UHFFFAOYSA-N 1 0 326.440 3.633 50 0 EHAARO Cc1cc(N2CCC(CNC(=O)c3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000253406131 564130671 /nfs/dbraw/zinc/13/06/71/564130671.db2.gz UFKJCDACOUVMMV-UHFFFAOYSA-N 1 0 343.858 3.690 50 0 EHAARO CCc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3C)CC2)c1 ZINC000253420231 564131009 /nfs/dbraw/zinc/13/10/09/564131009.db2.gz GJKRWPLSPPMHBW-UHFFFAOYSA-N 1 0 326.440 3.545 50 0 EHAARO C[NH+](C)CCCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000002336811 564132380 /nfs/dbraw/zinc/13/23/80/564132380.db2.gz MWKFZBONKBAVCM-SFHVURJKSA-N 1 0 328.481 3.588 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1sccc1Cl)c1cccc(F)c1 ZINC000225492245 564135325 /nfs/dbraw/zinc/13/53/25/564135325.db2.gz FEHRLSPIZWSCSW-ZDUSSCGKSA-N 1 0 326.824 3.573 50 0 EHAARO CCCC[NH+](CCCC)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000013361990 564136275 /nfs/dbraw/zinc/13/62/75/564136275.db2.gz QAHJFLXEEBCFGD-MRXNPFEDSA-N 1 0 345.487 3.653 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)[C@H](C)C1 ZINC000078897301 564137359 /nfs/dbraw/zinc/13/73/59/564137359.db2.gz LRNPDSCZSIVMKO-OXQOHEQNSA-N 1 0 344.499 3.745 50 0 EHAARO COC(C)(C)C[C@@H](C)NC(=O)Nc1ccc(Cn2ccnc2C)cc1 ZINC000078937336 564137423 /nfs/dbraw/zinc/13/74/23/564137423.db2.gz XQEIFTSQUMSYEW-CQSZACIVSA-N 1 0 344.459 3.565 50 0 EHAARO C[NH+](C)CCSc1ccc(NC(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1 ZINC000095403933 564139558 /nfs/dbraw/zinc/13/95/58/564139558.db2.gz WKPNSSLHGDSYOY-HZPDHXFCSA-N 1 0 345.512 3.770 50 0 EHAARO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCC(C)CC1)c1cnccn1 ZINC000095419243 564139788 /nfs/dbraw/zinc/13/97/88/564139788.db2.gz FUFZRUMWBGZAGW-DOTOQJQBSA-N 1 0 330.501 3.662 50 0 EHAARO Cc1n[nH]cc1CCC[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095420036 564139830 /nfs/dbraw/zinc/13/98/30/564139830.db2.gz RAKQEQWDUCJXLD-UHFFFAOYSA-N 1 0 346.906 3.558 50 0 EHAARO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc3ccccc3n2)nc1 ZINC000095422403 564140119 /nfs/dbraw/zinc/14/01/19/564140119.db2.gz ICNVYGYTLIAHBL-OAHLLOKOSA-N 1 0 334.423 3.618 50 0 EHAARO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)C(=O)NC(C)(C)C ZINC000095427271 564140246 /nfs/dbraw/zinc/14/02/46/564140246.db2.gz BMVCHLAZJVLDIF-HOTGVXAUSA-N 1 0 331.504 3.583 50 0 EHAARO CN1CC[C@@H](C[NH2+]Cc2cscn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447476 564140566 /nfs/dbraw/zinc/14/05/66/564140566.db2.gz GCNBJVGWDQVHRK-LRDDRELGSA-N 1 0 339.867 3.718 50 0 EHAARO Cc1nscc1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000095458621 564140715 /nfs/dbraw/zinc/14/07/15/564140715.db2.gz XQHIDMSLEPQSRK-UHFFFAOYSA-N 1 0 329.469 3.936 50 0 EHAARO COc1ccc([C@@H]2[C@@H](CN[C@H](C)c3ccc(F)cn3)CC[N@@H+]2C)cc1 ZINC000095983384 564143795 /nfs/dbraw/zinc/14/37/95/564143795.db2.gz UEJVSQZGWMLIJN-AKCHCHLHSA-N 1 0 343.446 3.573 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc(OCC2CC2)cc[nH+]1 ZINC000096006385 564144528 /nfs/dbraw/zinc/14/45/28/564144528.db2.gz CLDAOPAPCNIURG-KRWDZBQOSA-N 1 0 326.444 3.562 50 0 EHAARO C/C=C/C=C\C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096035124 564145084 /nfs/dbraw/zinc/14/50/84/564145084.db2.gz YKJMWONUGJGGSO-DEQVHDEQSA-N 1 0 327.472 3.535 50 0 EHAARO C[C@@H](C(=O)N1CCCC[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000096280600 564146354 /nfs/dbraw/zinc/14/63/54/564146354.db2.gz AFUVMSHCDJOBHL-MSOLQXFVSA-N 1 0 328.500 3.731 50 0 EHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC000096407731 564147446 /nfs/dbraw/zinc/14/74/46/564147446.db2.gz QUOVSUMNAHMRGL-HZMBPMFUSA-N 1 0 349.887 3.653 50 0 EHAARO CC[NH+](CC)C1CCN(C(=O)/C=C/c2ccnc3ccccc23)CC1 ZINC000096410138 564147569 /nfs/dbraw/zinc/14/75/69/564147569.db2.gz DLGLYZGHCGTDFK-MDZDMXLPSA-N 1 0 337.467 3.581 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(C)c(Cl)c2)cc1NC(C)=O ZINC000225521932 564149149 /nfs/dbraw/zinc/14/91/49/564149149.db2.gz XWHZJNFYMXYGND-UHFFFAOYSA-N 1 0 332.831 3.905 50 0 EHAARO Cc1cccc(NC(=O)N2CC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000225687864 564150253 /nfs/dbraw/zinc/15/02/53/564150253.db2.gz JNMGSSXGBDGNTM-FQEVSTJZSA-N 1 0 335.451 3.660 50 0 EHAARO CC[NH+]1CCN(c2ccc(Nc3ncnc4ccccc43)c(C)c2)CC1 ZINC000057679715 564155413 /nfs/dbraw/zinc/15/54/13/564155413.db2.gz DHXTUVWOOIAPDV-UHFFFAOYSA-N 1 0 347.466 3.824 50 0 EHAARO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000003420174 564158025 /nfs/dbraw/zinc/15/80/25/564158025.db2.gz GJZBUNDRCJEECE-OAHLLOKOSA-N 1 0 328.481 3.545 50 0 EHAARO CC[C@H](Oc1ccccc1)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029215 564160133 /nfs/dbraw/zinc/16/01/33/564160133.db2.gz RPUOHKOFHWSPMJ-UHOSZYNNSA-N 1 0 331.456 3.652 50 0 biogenic EHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)o1)c1ccsc1 ZINC000031992684 564160412 /nfs/dbraw/zinc/16/04/12/564160412.db2.gz DGZFXCXTPPFGDZ-GFCCVEGCSA-N 1 0 326.849 3.807 50 0 EHAARO C[C@@H](NC(=O)CCc1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000008013591 564162143 /nfs/dbraw/zinc/16/21/43/564162143.db2.gz PXCOGWPPVCRMKI-CQSZACIVSA-N 1 0 325.437 3.744 50 0 EHAARO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc(F)cc1F ZINC000066969993 564164858 /nfs/dbraw/zinc/16/48/58/564164858.db2.gz JBPWOXGSAJHXIG-AWEZNQCLSA-N 1 0 332.394 3.652 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000040120672 564168257 /nfs/dbraw/zinc/16/82/57/564168257.db2.gz LWSVIIJUDTXURZ-GJZGRUSLSA-N 1 0 347.484 3.847 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1OCc1cccnc1)[C@@H](C)n1cccn1 ZINC000069415992 564169243 /nfs/dbraw/zinc/16/92/43/564169243.db2.gz CGDRNNCNMVMATP-IAGOWNOFSA-N 1 0 336.439 3.596 50 0 EHAARO O=C(C[C@@H]1C=CCC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400333 564173835 /nfs/dbraw/zinc/17/38/35/564173835.db2.gz HLJGNAQVJRBLHQ-QAPCUYQASA-N 1 0 332.875 3.949 50 0 EHAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(C)=O)ccc21 ZINC000009942382 564174911 /nfs/dbraw/zinc/17/49/11/564174911.db2.gz HSSVBMXFHQZBHR-UHFFFAOYSA-N 1 0 328.460 3.781 50 0 EHAARO COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000010018055 564175003 /nfs/dbraw/zinc/17/50/03/564175003.db2.gz NODSKQRKULEUGL-QGZVFWFLSA-N 1 0 347.846 3.773 50 0 EHAARO CC1(C)CC(NC(=O)N(Cc2ccccc2)C2CC2)CC(C)(C)[NH2+]1 ZINC000042908449 564175697 /nfs/dbraw/zinc/17/56/97/564175697.db2.gz NLOYUSPFGACTOE-UHFFFAOYSA-N 1 0 329.488 3.670 50 0 EHAARO c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)c2)nc1 ZINC000110701906 568417743 /nfs/dbraw/zinc/41/77/43/568417743.db2.gz AGLVPLDYYMJADS-RXVVDRJESA-N 1 0 338.451 3.662 50 0 EHAARO CCCOc1ccc(C[N@@H+]2CC[C@H](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000169781522 1032646277 /nfs/dbraw/zinc/64/62/77/1032646277.db2.gz PTLHIXQHGMBLNQ-FQEVSTJZSA-N 1 0 344.499 3.556 50 0 EHAARO CC[N@H+](Cc1nc(Cc2cccc(F)c2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000289957400 1020778510 /nfs/dbraw/zinc/77/85/10/1020778510.db2.gz WIEOEMLYMOPVCA-MRXNPFEDSA-N 1 0 347.434 3.579 50 0 EHAARO COc1ccccc1-c1nc(C[N@H+](C)C[C@H]2CCCOC2)cs1 ZINC000158040431 1033359467 /nfs/dbraw/zinc/35/94/67/1033359467.db2.gz XHEMWRXISZCPJC-CQSZACIVSA-N 1 0 332.469 3.677 50 0 EHAARO CCOc1ccc(OCC[N@@H+]2CCC[C@@H](n3ccnc3CC)C2)cc1 ZINC000171523187 1034438820 /nfs/dbraw/zinc/43/88/20/1034438820.db2.gz FMXQXDAQLTUKPI-QGZVFWFLSA-N 1 0 343.471 3.560 50 0 EHAARO CC(C)c1ccc(C2(C(=O)N3CC[C@@](C)(C[NH3+])C3)CCCC2)cc1 ZINC000261941632 1036431499 /nfs/dbraw/zinc/43/14/99/1036431499.db2.gz JKCBVZKWGZWTRB-FQEVSTJZSA-N 1 0 328.500 3.819 50 0 EHAARO Cc1ccc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(C)n1 ZINC000186497537 1036818991 /nfs/dbraw/zinc/81/89/91/1036818991.db2.gz NAXJTMJSQPOGCM-UHFFFAOYSA-N 1 0 349.478 3.755 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000257184144 1038454266 /nfs/dbraw/zinc/45/42/66/1038454266.db2.gz IFWKXWAHBUPTLJ-KRWDZBQOSA-N 1 0 332.463 3.800 50 0 EHAARO COc1cccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c1 ZINC000004725442 1042332974 /nfs/dbraw/zinc/33/29/74/1042332974.db2.gz VGNIRCYVBSBNPA-UHFFFAOYSA-N 1 0 344.499 3.746 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)C1 ZINC000269106708 1128740919 /nfs/dbraw/zinc/74/09/19/1128740919.db2.gz KJDSTGGSFAHEPB-SSUFTNFISA-N 1 0 340.389 3.567 50 0 EHAARO c1ccc2c(c1)CCSC[C@H]2[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000252496736 1121421437 /nfs/dbraw/zinc/42/14/37/1121421437.db2.gz PQLGTXVMUYZZAX-LJQANCHMSA-N 1 0 341.476 3.852 50 0 EHAARO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)s1 ZINC000163722935 1125168211 /nfs/dbraw/zinc/16/82/11/1125168211.db2.gz ABPACNRGTOVSBP-AWEZNQCLSA-N 1 0 344.484 3.799 50 0 EHAARO CC[C@H](Cn1ccnc1)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000822619904 1131004849 /nfs/dbraw/zinc/00/48/49/1131004849.db2.gz FRRPJRNQUZHKFC-OAHLLOKOSA-N 1 0 332.879 3.574 50 0 EHAARO CC[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000822619899 1131005304 /nfs/dbraw/zinc/00/53/04/1131005304.db2.gz FRRPJRNQUZHKFC-HNNXBMFYSA-N 1 0 332.879 3.574 50 0 EHAARO Cc1ccc(C(=O)N2CCC[C@H](n3c(C)c[nH+]c3C3CC3)C2)s1 ZINC000575545301 1131568497 /nfs/dbraw/zinc/56/84/97/1131568497.db2.gz GBKQXZRHUMWBDY-HNNXBMFYSA-N 1 0 329.469 3.916 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3cccs3)CC2)CC1 ZINC000581788063 1132356157 /nfs/dbraw/zinc/35/61/57/1132356157.db2.gz RHSLHKLAUPFJQH-KRWDZBQOSA-N 1 0 334.529 3.651 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)COc2ccccc2)CC1 ZINC000581787774 1132356631 /nfs/dbraw/zinc/35/66/31/1132356631.db2.gz CEUVTNQLQCZEGP-IBGZPJMESA-N 1 0 344.499 3.569 50 0 EHAARO Cc1noc(C[C@@H]2CCOC3(CC[NH+](CC4CCCCC4)CC3)C2)n1 ZINC000581804262 1132366877 /nfs/dbraw/zinc/36/68/77/1132366877.db2.gz JOWIFDGMSSVSID-SFHVURJKSA-N 1 0 347.503 3.762 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)Nc2ccccc2F)C1 ZINC000581808529 1132370442 /nfs/dbraw/zinc/37/04/42/1132370442.db2.gz XMSAXVFDFDDFRS-CQSZACIVSA-N 1 0 328.391 3.687 50 0 EHAARO Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581814088 1132377261 /nfs/dbraw/zinc/37/72/61/1132377261.db2.gz SQVKKXKLYOYGDI-KRWDZBQOSA-N 1 0 337.467 3.930 50 0 EHAARO c1csc(-c2cnc(C[NH2+][C@H]3CCc4ccccc4OC3)o2)c1 ZINC000585080294 1136964549 /nfs/dbraw/zinc/96/45/49/1136964549.db2.gz ZLLUIJYIFUDXMY-AWEZNQCLSA-N 1 0 326.421 3.887 50 0 EHAARO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc2nc(C)sc2c1 ZINC000585083109 1136968372 /nfs/dbraw/zinc/96/83/72/1136968372.db2.gz AWTVHUBIWBIUOL-HNNXBMFYSA-N 1 0 331.485 3.551 50 0 EHAARO OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000585133428 1137021732 /nfs/dbraw/zinc/02/17/32/1137021732.db2.gz HWAFOOYFMKWCCV-XIRDDKMYSA-N 1 0 343.389 3.630 50 0 EHAARO CC(C)c1cccc(-c2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)o2)c1 ZINC000192501731 1137455923 /nfs/dbraw/zinc/45/59/23/1137455923.db2.gz RQBPLAXULNZSII-HDICACEKSA-N 1 0 338.451 3.704 50 0 EHAARO COc1cccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1F ZINC000192690429 1137456289 /nfs/dbraw/zinc/45/62/89/1137456289.db2.gz FYANDUOMKVTQDW-UHFFFAOYSA-N 1 0 333.378 3.769 50 0 EHAARO COc1ccc(/C=C/C[NH2+][C@H](C)CN2CCc3ccccc3C2)cc1 ZINC000952863509 1137482383 /nfs/dbraw/zinc/48/23/83/1137482383.db2.gz WSWIZZDTAHPISB-DUMMIQTOSA-N 1 0 336.479 3.745 50 0 EHAARO Cc1ccc(N2CCC([NH2+]CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000952974263 1137484568 /nfs/dbraw/zinc/48/45/68/1137484568.db2.gz TXTVMQYPZZANNX-UHFFFAOYSA-N 1 0 334.467 3.672 50 0 EHAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)C1CCN(c2cccc(F)c2)CC1 ZINC000952976650 1137484569 /nfs/dbraw/zinc/48/45/69/1137484569.db2.gz XMJSFAHALFOOHO-UHFFFAOYSA-N 1 0 344.478 3.699 50 0 EHAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1 ZINC000952977444 1137484809 /nfs/dbraw/zinc/48/48/09/1137484809.db2.gz XSYMAGZWGXRTAR-UHFFFAOYSA-N 1 0 328.378 3.652 50 0 EHAARO FC(F)(F)c1c[nH]c([C@@H]2CCC[N@H+](C[C@]34CCC[C@H]3OCC4)C2)n1 ZINC000952992861 1137485134 /nfs/dbraw/zinc/48/51/34/1137485134.db2.gz DWBYBMIRYDMRRV-XNRPHZJLSA-N 1 0 343.393 3.567 50 0 EHAARO FC(F)(F)c1ccc(OCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000107299282 1139717221 /nfs/dbraw/zinc/71/72/21/1139717221.db2.gz ALLJBJJUZFWECF-CYBMUJFWSA-N 1 0 339.361 3.687 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000008314886 201744264 /nfs/dbraw/zinc/74/42/64/201744264.db2.gz FCFVCYSFGIIVPF-UHFFFAOYSA-N 1 0 345.446 3.761 50 0 EHAARO Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCC[NH3+])c1 ZINC000036476323 201786549 /nfs/dbraw/zinc/78/65/49/201786549.db2.gz VRCWATUGLLPVGY-UHFFFAOYSA-N 1 0 338.480 3.607 50 0 EHAARO Cc1cc(C(=O)N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c(C)o1 ZINC000011817398 201814528 /nfs/dbraw/zinc/81/45/28/201814528.db2.gz QYNHIRROGILWOX-SFHVURJKSA-N 1 0 332.488 3.727 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(Cl)ccn1 ZINC000012769573 201865673 /nfs/dbraw/zinc/86/56/73/201865673.db2.gz SUQAZJTUGSGRGE-UHFFFAOYSA-N 1 0 343.858 3.651 50 0 EHAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000019594832 202015769 /nfs/dbraw/zinc/01/57/69/202015769.db2.gz YWTCZYLLEHCAQG-QGZVFWFLSA-N 1 0 327.472 3.996 50 0 EHAARO Fc1ccccc1OCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020500131 202046352 /nfs/dbraw/zinc/04/63/52/202046352.db2.gz LPAWNKDCAARRQB-UHFFFAOYSA-N 1 0 342.458 3.803 50 0 EHAARO CC(C)Oc1ccc([C@H](CC[NH2+]CCN2CCOCC2)C(C)C)cc1 ZINC000020591406 202049779 /nfs/dbraw/zinc/04/97/79/202049779.db2.gz MFDYGNNGSHERJQ-OAQYLSRUSA-N 1 0 348.531 3.525 50 0 EHAARO COc1ccc([C@@H](CNC(=O)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000021196990 202062703 /nfs/dbraw/zinc/06/27/03/202062703.db2.gz HXDJZSCHCLKVNT-LJQANCHMSA-N 1 0 330.472 3.529 50 0 EHAARO C(=C/c1ccccc1)\CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000022586778 202087660 /nfs/dbraw/zinc/08/76/60/202087660.db2.gz RAIMARIHCIACFL-CJHOVAGGSA-N 1 0 332.491 3.875 50 0 EHAARO C[N@@H+]1CCCN(C(=O)C[C@H](c2ccccc2)c2ccccc2F)CC1 ZINC000012596819 202155253 /nfs/dbraw/zinc/15/52/53/202155253.db2.gz WZNXRMRROOOASB-LJQANCHMSA-N 1 0 340.442 3.512 50 0 EHAARO C[NH+](C)C[C@H](NC(=O)/C=C/c1cccc2cccnc12)c1ccccc1 ZINC000040046884 202167208 /nfs/dbraw/zinc/16/72/08/202167208.db2.gz OIMMKPHDZOVVCX-AIGDTVQASA-N 1 0 345.446 3.667 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1c(C)noc1C(C)C)c1ccsc1 ZINC000031984422 202218950 /nfs/dbraw/zinc/21/89/50/202218950.db2.gz FVZFZZUXXUVCIQ-OAHLLOKOSA-N 1 0 349.500 3.981 50 0 EHAARO CCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000036099950 202314416 /nfs/dbraw/zinc/31/44/16/202314416.db2.gz WTWHJZHVFGQIDX-OAQYLSRUSA-N 1 0 327.468 3.785 50 0 EHAARO CCC[N@@H+](Cc1ccccc1C)C[C@H](O)COCc1ccccc1 ZINC000036099948 202315412 /nfs/dbraw/zinc/31/54/12/202315412.db2.gz WTWHJZHVFGQIDX-NRFANRHFSA-N 1 0 327.468 3.785 50 0 EHAARO Cc1ccccc1C[N@@H+](C[C@H](O)COc1ccccc1C)C(C)C ZINC000036104493 202316265 /nfs/dbraw/zinc/31/62/65/202316265.db2.gz OITSNPPFNQBOEW-FQEVSTJZSA-N 1 0 327.468 3.954 50 0 EHAARO C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000036998937 202334055 /nfs/dbraw/zinc/33/40/55/202334055.db2.gz MOJZPKOBKCXNKG-MAUKXSAKSA-N 1 0 343.398 3.669 50 0 EHAARO Clc1cccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)c1 ZINC000078394258 202390394 /nfs/dbraw/zinc/39/03/94/202390394.db2.gz SAMYWISCIAZNSW-UHFFFAOYSA-N 1 0 329.875 3.532 50 0 EHAARO C[N@H+]1C[C@H](c2cccs2)[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000227150534 201038337 /nfs/dbraw/zinc/03/83/37/201038337.db2.gz MDTDDGVQXYLCJR-WFASDCNBSA-N 1 0 349.887 3.868 50 0 EHAARO Cc1noc([C@H](C)[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000229684999 201043388 /nfs/dbraw/zinc/04/33/88/201043388.db2.gz NLUUQHRCYDBOCG-XJKSGUPXSA-N 1 0 337.427 3.709 50 0 EHAARO CN(C(=O)/C=C\C1CCCCC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000096298470 201375574 /nfs/dbraw/zinc/37/55/74/201375574.db2.gz CFDMXSIUXZYZKX-FPLPWBNLSA-N 1 0 341.499 3.641 50 0 EHAARO C[C@]12c3ccccc3CCN1C(=O)OC21CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000105572 201435453 /nfs/dbraw/zinc/43/54/53/201435453.db2.gz GYBHSJDARJTSAO-LJQANCHMSA-N 1 0 328.456 3.590 50 0 EHAARO Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000215998616 241156626 /nfs/dbraw/zinc/15/66/26/241156626.db2.gz RFTJHKLCMCLYOK-UHFFFAOYSA-N 1 0 332.451 3.955 50 0 EHAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000216344112 241183449 /nfs/dbraw/zinc/18/34/49/241183449.db2.gz OIOKXTPPKNAZFW-LBPRGKRZSA-N 1 0 329.835 3.627 50 0 EHAARO O[C@@H](c1cc2n(n1)CCC[N@H+](C/C=C/c1ccccc1)C2)C1CCC1 ZINC000218975183 241358236 /nfs/dbraw/zinc/35/82/36/241358236.db2.gz BDUNWBJJLLAUPJ-AEVNEEFTSA-N 1 0 337.467 3.636 50 0 EHAARO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000225729052 242006739 /nfs/dbraw/zinc/00/67/39/242006739.db2.gz RILFARAQJKSPHG-XJKSGUPXSA-N 1 0 349.862 3.558 50 0 EHAARO Cc1cc2oc(=O)cc(CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820750 242203097 /nfs/dbraw/zinc/20/30/97/242203097.db2.gz OVMFTOXSPVHTNF-DZGCQCFKSA-N 1 0 348.874 3.669 50 0 EHAARO O[C@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000002966143 201552715 /nfs/dbraw/zinc/55/27/15/201552715.db2.gz JIOZYGAPYXLMOZ-IBGZPJMESA-N 1 0 327.835 3.600 50 0 EHAARO CCc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000002966300 201553198 /nfs/dbraw/zinc/55/31/98/201553198.db2.gz FSTIHCCBJPHCHJ-OAQYLSRUSA-N 1 0 339.434 3.648 50 0 EHAARO C[N@H+](CCOc1cccc(Cl)c1)Cc1cc(-c2cccnc2)no1 ZINC000244626660 243043356 /nfs/dbraw/zinc/04/33/56/243043356.db2.gz FQBXCQHIZZETEA-UHFFFAOYSA-N 1 0 343.814 3.901 50 0 EHAARO C[C@H](CC(=O)N(C)Cc1cnc2ccccc2c1)[NH+]1CCCCCC1 ZINC000244884149 243097809 /nfs/dbraw/zinc/09/78/09/243097809.db2.gz YGJAXLCDTHFWLQ-QGZVFWFLSA-N 1 0 339.483 3.848 50 0 EHAARO O=C(CC[N@@H+](Cc1cccc(O)c1)C1CC1)NC1CCCCCC1 ZINC000244741939 243071598 /nfs/dbraw/zinc/07/15/98/243071598.db2.gz NZKAOBTYVMNVEW-UHFFFAOYSA-N 1 0 330.472 3.586 50 0 EHAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000065478898 202852743 /nfs/dbraw/zinc/85/27/43/202852743.db2.gz LTVROZBINMIIFA-QGZVFWFLSA-N 1 0 332.879 3.689 50 0 EHAARO C[C@H](c1nc(-c2cccs2)no1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000069615949 203026141 /nfs/dbraw/zinc/02/61/41/203026141.db2.gz HKVZZTMXRRXJEL-CYBMUJFWSA-N 1 0 346.500 3.856 50 0 EHAARO Cc1ccc(C)c(OCc2nnc(SC[C@@H]3CCC[N@@H+](C)C3)o2)c1 ZINC000069658132 203032858 /nfs/dbraw/zinc/03/28/58/203032858.db2.gz CDTCNKMPYNEXOR-OAHLLOKOSA-N 1 0 347.484 3.699 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(F)cc2)CC1 ZINC000069769413 203045655 /nfs/dbraw/zinc/04/56/55/203045655.db2.gz XZLKUZUZWCYIKE-UHFFFAOYSA-N 1 0 327.403 3.584 50 0 EHAARO Cc1cccc(NC(=O)NCC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000252552032 243857829 /nfs/dbraw/zinc/85/78/29/243857829.db2.gz UMLBDEFMWPAWHG-UHFFFAOYSA-N 1 0 347.528 3.724 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc(OC)c1OC ZINC000092788873 203086393 /nfs/dbraw/zinc/08/63/93/203086393.db2.gz SKVDLXYSOFMTMX-AWEZNQCLSA-N 1 0 348.468 3.549 50 0 EHAARO Cc1cc(N2CCC(CC(=O)N3CCCC3)CC2)c2ccccc2[nH+]1 ZINC000071811065 203116987 /nfs/dbraw/zinc/11/69/87/203116987.db2.gz DRVBXTIOFWAPBK-UHFFFAOYSA-N 1 0 337.467 3.772 50 0 EHAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000071828168 203122493 /nfs/dbraw/zinc/12/24/93/203122493.db2.gz RKGPNZKOQUVODD-AEFFLSMTSA-N 1 0 327.472 3.965 50 0 EHAARO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc3c2CCCC3)c1 ZINC000071900988 203143902 /nfs/dbraw/zinc/14/39/02/203143902.db2.gz CGKWCDIPDIMNNI-UHFFFAOYSA-N 1 0 337.467 3.949 50 0 EHAARO CCCn1ccnc1C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000072131899 203165921 /nfs/dbraw/zinc/16/59/21/203165921.db2.gz FCFJFXOFFFNCOC-MRXNPFEDSA-N 1 0 337.471 3.624 50 0 EHAARO O=C1NC[C@@]2(CCC[N@H+](Cc3cccc(-c4ccccc4)c3)CC2)O1 ZINC000072141719 203167835 /nfs/dbraw/zinc/16/78/35/203167835.db2.gz MJZAABGMIRGEIF-NRFANRHFSA-N 1 0 336.435 3.818 50 0 EHAARO CNc1nc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072150727 203172507 /nfs/dbraw/zinc/17/25/07/203172507.db2.gz MAKLXCHQABVMAU-SFHVURJKSA-N 1 0 344.528 3.974 50 0 EHAARO C[NH+]1CCC(N(Cc2cccnc2)Cc2ccc(O)cc2Cl)CC1 ZINC000072161920 203177034 /nfs/dbraw/zinc/17/70/34/203177034.db2.gz YWRJDIDSORILOC-UHFFFAOYSA-N 1 0 345.874 3.537 50 0 EHAARO COCCn1cncc1C[N@@H+]1CCC[C@@H](CCc2ccccc2C)C1 ZINC000072170527 203180534 /nfs/dbraw/zinc/18/05/34/203180534.db2.gz MBOAHIYVTACPKE-IBGZPJMESA-N 1 0 341.499 3.683 50 0 EHAARO O=C(N1CCCC1)[C@@]1(Cc2ccc(-c3cccs3)cc2)CC[NH2+]C1 ZINC000072352907 203204475 /nfs/dbraw/zinc/20/44/75/203204475.db2.gz ITYOUJWLYQVCGN-HXUWFJFHSA-N 1 0 340.492 3.560 50 0 EHAARO CC[C@@H](c1ccc(C)cc1C)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072476418 203231789 /nfs/dbraw/zinc/23/17/89/203231789.db2.gz SQUPFFNGXAGSIM-FQEVSTJZSA-N 1 0 349.482 3.856 50 0 EHAARO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)nc2)c1 ZINC000072411507 203217237 /nfs/dbraw/zinc/21/72/37/203217237.db2.gz LVGICTSAWYVHET-LJQANCHMSA-N 1 0 325.456 3.883 50 0 EHAARO CC[C@H]1CN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC[N@@H+]1C(C)C ZINC000072421553 203220058 /nfs/dbraw/zinc/22/00/58/203220058.db2.gz DMQQWASBKKNCKB-FQEVSTJZSA-N 1 0 340.515 3.998 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)[C@@H](C)c2ccccn2)c(F)c1 ZINC000072426055 203221736 /nfs/dbraw/zinc/22/17/36/203221736.db2.gz CHUHAOYKVGVOAU-ZDUSSCGKSA-N 1 0 340.402 3.812 50 0 EHAARO CCCC[NH+]1CCN(C(=O)CCc2ccc3ccn(CC)c3c2)CC1 ZINC000075550796 203318553 /nfs/dbraw/zinc/31/85/53/203318553.db2.gz XXXRLIYQKMJYLQ-UHFFFAOYSA-N 1 0 341.499 3.538 50 0 EHAARO C[N@H+](CCSc1ccccc1)Cc1cc(-c2ccncc2)no1 ZINC000077469891 203390258 /nfs/dbraw/zinc/39/02/58/203390258.db2.gz CGXJTRBRCPFNQS-UHFFFAOYSA-N 1 0 325.437 3.961 50 0 EHAARO C[C@@H](C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1)[NH+]1CCCC1 ZINC000077525009 203394066 /nfs/dbraw/zinc/39/40/66/203394066.db2.gz ZHAMAWZSRLWVIG-KRWDZBQOSA-N 1 0 338.451 3.922 50 0 EHAARO Cc1nc([C@@H](C)NC(=O)C2CC[NH+](C3CCCCC3)CC2)c(C)s1 ZINC000095376072 203722885 /nfs/dbraw/zinc/72/28/85/203722885.db2.gz MAOKPINBCQJGLN-CYBMUJFWSA-N 1 0 349.544 3.982 50 0 EHAARO C[C@H](Nc1cccc(NC(=O)c2ccoc2)c1)C1CC[NH+](C)CC1 ZINC000097232116 203935089 /nfs/dbraw/zinc/93/50/89/203935089.db2.gz DWSYMKWETGLLMY-AWEZNQCLSA-N 1 0 327.428 3.674 50 0 EHAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)cc1F ZINC000106136811 204187786 /nfs/dbraw/zinc/18/77/86/204187786.db2.gz YRYBNMAQJKAWBX-XQQFMLRXSA-N 1 0 326.843 3.575 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 ZINC000043268992 204237610 /nfs/dbraw/zinc/23/76/10/204237610.db2.gz LNESCTMHMZGEIY-CYBMUJFWSA-N 1 0 341.839 3.965 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000043971537 204292112 /nfs/dbraw/zinc/29/21/12/204292112.db2.gz SLENQWCCZGTCJR-UHFFFAOYSA-N 1 0 332.444 3.529 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000047416280 204338287 /nfs/dbraw/zinc/33/82/87/204338287.db2.gz VJHJXSPYGDBIEP-STQMWFEESA-N 1 0 326.843 3.577 50 0 EHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000237367906 204553310 /nfs/dbraw/zinc/55/33/10/204553310.db2.gz QCCQWSCUOODUKW-CJNGLKHVSA-N 1 0 344.405 3.831 50 0 EHAARO CC(=O)O[C@@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCC1 ZINC000016839774 211937320 /nfs/dbraw/zinc/93/73/20/211937320.db2.gz GFUHAUDJRCMVMN-QGZVFWFLSA-N 1 0 336.435 3.822 50 0 EHAARO CCOC(=O)N1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000000217711 206209154 /nfs/dbraw/zinc/20/91/54/206209154.db2.gz NUSMMSOYRFEEAI-UHFFFAOYSA-N 1 0 336.435 3.967 50 0 EHAARO CCOC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000002499087 206384982 /nfs/dbraw/zinc/38/49/82/206384982.db2.gz IHLSPBWIMSBKQO-UHFFFAOYSA-N 1 0 331.243 3.704 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000010080523 211145220 /nfs/dbraw/zinc/14/52/20/211145220.db2.gz XWUADDJWUUZFNX-IBGZPJMESA-N 1 0 343.446 3.708 50 0 EHAARO C[C@@H](C[NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC000095423490 218365928 /nfs/dbraw/zinc/36/59/28/218365928.db2.gz LKXPUTDEIBULIA-AWEZNQCLSA-N 1 0 331.410 3.722 50 0 EHAARO Cn1ccnc1[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000012575516 207177040 /nfs/dbraw/zinc/17/70/40/207177040.db2.gz GFHMKKHVFYSJHX-MRXNPFEDSA-N 1 0 343.789 3.732 50 0 EHAARO CO[C@H](C)c1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000096452214 218835573 /nfs/dbraw/zinc/83/55/73/218835573.db2.gz GLVQKWFKHPNKRK-OAHLLOKOSA-N 1 0 345.487 3.923 50 0 EHAARO CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2(C)C)cc1Cl ZINC000299793678 258098792 /nfs/dbraw/zinc/09/87/92/258098792.db2.gz JZWICGVSOOKJQQ-CQSZACIVSA-N 1 0 338.879 3.541 50 0 EHAARO CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2(C)C)cc1Cl ZINC000299793665 258098920 /nfs/dbraw/zinc/09/89/20/258098920.db2.gz JZWICGVSOOKJQQ-AWEZNQCLSA-N 1 0 338.879 3.541 50 0 EHAARO CCn1ccc2c1cccc2C[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000215975587 258072130 /nfs/dbraw/zinc/07/21/30/258072130.db2.gz YKPRASXBGWHPGE-UHFFFAOYSA-N 1 0 338.455 3.807 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCCc2ccccc21 ZINC000040095131 132397787 /nfs/dbraw/zinc/39/77/87/132397787.db2.gz VKDWYILLPKHJJN-GOSISDBHSA-N 1 0 339.439 3.579 50 0 EHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccoc1C ZINC000028305532 472221154 /nfs/dbraw/zinc/22/11/54/472221154.db2.gz UQCQKNYPHLVYRW-UHFFFAOYSA-N 1 0 340.427 3.532 50 0 EHAARO COCCC[NH2+]CCCCOc1ccc(Br)cc1C ZINC000003003155 523373797 /nfs/dbraw/zinc/37/37/97/523373797.db2.gz DKDIUWSBBRSRHQ-UHFFFAOYSA-N 1 0 330.266 3.543 50 0 EHAARO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249207568 523649211 /nfs/dbraw/zinc/64/92/11/523649211.db2.gz WVPMWODPKGAPPX-NNULKFFLSA-N 1 0 325.440 3.777 50 0 EHAARO CS[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000241926440 525842073 /nfs/dbraw/zinc/84/20/73/525842073.db2.gz UGFDQKVXVUIERT-NIOBXDJOSA-N 1 0 340.533 3.791 50 0 EHAARO CN(C(=O)c1ccccc1NC1CCCCC1)C1CC[NH+](C)CC1 ZINC000242048115 536069039 /nfs/dbraw/zinc/06/90/39/536069039.db2.gz VSXCLPGKUGLQIW-UHFFFAOYSA-N 1 0 329.488 3.597 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000000087333 563220721 /nfs/dbraw/zinc/22/07/21/563220721.db2.gz CBDOXFZXXXPIMG-UHFFFAOYSA-N 1 0 328.843 3.734 50 0 EHAARO O=C(CC[NH+]1CCCCCC1)Nc1ccc(Br)cc1 ZINC000000176173 563253065 /nfs/dbraw/zinc/25/30/65/563253065.db2.gz SJOMKYDSIHVKBP-UHFFFAOYSA-N 1 0 325.250 3.654 50 0 EHAARO Cc1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000000342317 563286969 /nfs/dbraw/zinc/28/69/69/563286969.db2.gz DLTBPGFASNORHN-UHFFFAOYSA-N 1 0 338.451 3.998 50 0 EHAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC000000359999 563292878 /nfs/dbraw/zinc/29/28/78/563292878.db2.gz BGVHQPOMPNPFDV-UHFFFAOYSA-N 1 0 343.858 3.653 50 0 EHAARO CCN(CC)C(=O)c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1 ZINC000000394269 563304494 /nfs/dbraw/zinc/30/44/94/563304494.db2.gz UHTOMRJJWRRCOA-UHFFFAOYSA-N 1 0 338.258 3.811 50 0 EHAARO CC[NH+](CC)CCSc1nnc2c3cc(C)cc(C)c3n(C)c2n1 ZINC000002214688 563426941 /nfs/dbraw/zinc/42/69/41/563426941.db2.gz PXQBMAPQIJXHMM-UHFFFAOYSA-N 1 0 343.500 3.567 50 0 EHAARO [NH3+]CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000002391903 563431204 /nfs/dbraw/zinc/43/12/04/563431204.db2.gz KKDUEQBKFRCXSH-UHFFFAOYSA-N 1 0 336.435 3.606 50 0 EHAARO CCOC(=O)c1ccccc1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514554 563435612 /nfs/dbraw/zinc/43/56/12/563435612.db2.gz LIVNPIVRBDUVMT-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCCc1ccccc1 ZINC000005019562 563518888 /nfs/dbraw/zinc/51/88/88/563518888.db2.gz VMQAAPIYIGRJCC-IBGZPJMESA-N 1 0 341.451 3.585 50 0 EHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCCc1ccccc1 ZINC000005019564 563519033 /nfs/dbraw/zinc/51/90/33/563519033.db2.gz VMQAAPIYIGRJCC-LJQANCHMSA-N 1 0 341.451 3.585 50 0 EHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000005100068 563520908 /nfs/dbraw/zinc/52/09/08/563520908.db2.gz WNSYZUCOWVUFAM-UHFFFAOYSA-N 1 0 345.446 3.844 50 0 EHAARO FC(F)(F)Oc1ccccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000048040609 563559278 /nfs/dbraw/zinc/55/92/78/563559278.db2.gz MJEYLTKGXNFIEN-UHFFFAOYSA-N 1 0 348.328 3.660 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCOc2cccc(C(C)C)c2)CC1 ZINC000006701866 563580128 /nfs/dbraw/zinc/58/01/28/563580128.db2.gz SRLWDENCMLOQSB-UHFFFAOYSA-N 1 0 333.472 3.854 50 0 EHAARO Cc1cccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)n1 ZINC000011661999 563650347 /nfs/dbraw/zinc/65/03/47/563650347.db2.gz KARVQLDHMGWDMX-UHFFFAOYSA-N 1 0 338.495 3.987 50 0 EHAARO CCn1cc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cn1 ZINC000011841461 563651170 /nfs/dbraw/zinc/65/11/70/563651170.db2.gz DOTUHSJRYLIXSZ-MRXNPFEDSA-N 1 0 331.847 3.651 50 0 EHAARO Cc1cccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccc2F)c1 ZINC000011911088 563651755 /nfs/dbraw/zinc/65/17/55/563651755.db2.gz QMNHJXIYJGTCAU-LJQANCHMSA-N 1 0 340.442 3.805 50 0 EHAARO O=C(c1ccco1)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000011878312 563651801 /nfs/dbraw/zinc/65/18/01/563651801.db2.gz OBPJPCDJIBOEPF-HXUWFJFHSA-N 1 0 330.472 3.788 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c(C)n1 ZINC000012301039 563657187 /nfs/dbraw/zinc/65/71/87/563657187.db2.gz COURMZPYYCVBCQ-HXUWFJFHSA-N 1 0 326.488 3.905 50 0 EHAARO CCn1ccnc1C[N@@H+]1CCC[C@@H](CCc2cccc(OC)c2)C1 ZINC000012438712 563660853 /nfs/dbraw/zinc/66/08/53/563660853.db2.gz XUTAUUPKVXRRQN-SFHVURJKSA-N 1 0 327.472 3.756 50 0 EHAARO C[NH+](C)CC[C@@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 ZINC000013491921 563699539 /nfs/dbraw/zinc/69/95/39/563699539.db2.gz HIVBATDUVFEJFZ-IBGZPJMESA-N 1 0 329.827 3.900 50 0 in-vitro EHAARO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccc(O)cc1 ZINC000013655838 563707441 /nfs/dbraw/zinc/70/74/41/563707441.db2.gz ZIPWSYBQDORAHA-SFHVURJKSA-N 1 0 349.390 3.572 50 0 EHAARO CSc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1 ZINC000014950268 563767732 /nfs/dbraw/zinc/76/77/32/563767732.db2.gz BADFGEMQWQLWKG-MRXNPFEDSA-N 1 0 344.480 3.644 50 0 EHAARO Cc1cc(C)c(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)o1 ZINC000014965300 563768566 /nfs/dbraw/zinc/76/85/66/563768566.db2.gz CKLGVBGVSOJRLL-SFHVURJKSA-N 1 0 326.440 3.633 50 0 EHAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000015063013 563774197 /nfs/dbraw/zinc/77/41/97/563774197.db2.gz XQSUIKLDVHSOMV-INIZCTEOSA-N 1 0 344.503 3.861 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 ZINC000004555584 563779131 /nfs/dbraw/zinc/77/91/31/563779131.db2.gz LUZUWNJJYXLVAP-OAHLLOKOSA-N 1 0 331.416 3.694 50 0 EHAARO c1coc(C[NH2+]Cc2ccc(OCc3cn4ccccc4n3)cc2)c1 ZINC000015566105 563787245 /nfs/dbraw/zinc/78/72/45/563787245.db2.gz MKEUDVXPPPEJTH-UHFFFAOYSA-N 1 0 333.391 3.796 50 0 EHAARO C[N@@H+](Cc1cc(Br)cs1)C[C@@H](O)c1ccccc1 ZINC000016662616 563819686 /nfs/dbraw/zinc/81/96/86/563819686.db2.gz GAFAHCNNRPVCOP-CQSZACIVSA-N 1 0 326.259 3.676 50 0 EHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cc(OC)c(O)c(OC)c1 ZINC000015866936 563798171 /nfs/dbraw/zinc/79/81/71/563798171.db2.gz SJBUZWMFQBCNPE-CQSZACIVSA-N 1 0 346.427 3.605 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000016606862 563817383 /nfs/dbraw/zinc/81/73/83/563817383.db2.gz SVFRZFOLLXBQEB-UHFFFAOYSA-N 1 0 334.463 3.796 50 0 EHAARO O[C@@H](C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1ccc(F)cc1 ZINC000025218690 563882382 /nfs/dbraw/zinc/88/23/82/563882382.db2.gz YTNUFNCMMMCCJP-SFHVURJKSA-N 1 0 340.398 3.880 50 0 EHAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1csc(Br)c1 ZINC000072298376 563912283 /nfs/dbraw/zinc/91/22/83/563912283.db2.gz UCRIVKOGICBVSM-LBPRGKRZSA-N 1 0 340.290 3.894 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000269263434 563920735 /nfs/dbraw/zinc/92/07/35/563920735.db2.gz KAZFBJCDLHBSKX-UZGDPCLZSA-N 1 0 341.282 3.683 50 0 EHAARO Cc1c(NC(=O)NC2CC[NH+](C)CC2)cccc1OC1CCCC1 ZINC000071857125 563928857 /nfs/dbraw/zinc/92/88/57/563928857.db2.gz REHATTNUTJVYBU-UHFFFAOYSA-N 1 0 331.460 3.532 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2ccc3nonc3c2)cc1C ZINC000055108770 563933761 /nfs/dbraw/zinc/93/37/61/563933761.db2.gz XYYOETLMLWLWSJ-UHFFFAOYSA-N 1 0 347.422 3.862 50 0 EHAARO Cc1cc(C)c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c(C)c1CO ZINC000055168897 563933916 /nfs/dbraw/zinc/93/39/16/563933916.db2.gz QIHUQGKBTIADEY-OAHLLOKOSA-N 1 0 325.452 3.717 50 0 EHAARO O=C(Nc1ccccc1OCCCc1ccccc1)C1CC[NH2+]CC1 ZINC000055211872 563934053 /nfs/dbraw/zinc/93/40/53/563934053.db2.gz XSDMJYUOIJOKRX-UHFFFAOYSA-N 1 0 338.451 3.636 50 0 EHAARO COC(=O)c1sc(NCC2([NH+](C)C)CCCCCC2)nc1Cl ZINC000058365418 563943815 /nfs/dbraw/zinc/94/38/15/563943815.db2.gz IGXXFFRAZSVHLD-UHFFFAOYSA-N 1 0 345.896 3.650 50 0 EHAARO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058377592 563944166 /nfs/dbraw/zinc/94/41/66/563944166.db2.gz TYGFBLKPRQVISE-GOSISDBHSA-N 1 0 339.483 3.577 50 0 EHAARO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096415135 563951087 /nfs/dbraw/zinc/95/10/87/563951087.db2.gz RCKSLUSOLPXLDN-WMZOPIPTSA-N 1 0 338.455 3.598 50 0 EHAARO O=C(c1ccco1)N1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000096494801 563955859 /nfs/dbraw/zinc/95/58/59/563955859.db2.gz URNPQWDLMUQYKO-UHFFFAOYSA-N 1 0 342.414 3.559 50 0 EHAARO CCc1ccc2ncn(CC[C@H]3CCCC[N@@H+]3C(C)C)c(=O)c2c1 ZINC000063856333 563956289 /nfs/dbraw/zinc/95/62/89/563956289.db2.gz AIVFBRARGCQKIQ-QGZVFWFLSA-N 1 0 327.472 3.612 50 0 EHAARO CCC[NH+](CCC)Cc1ccc(C(=O)NCc2c(C)noc2C)cc1 ZINC000065431840 563960872 /nfs/dbraw/zinc/96/08/72/563960872.db2.gz UPLNLHXDWNFBPL-UHFFFAOYSA-N 1 0 343.471 3.843 50 0 EHAARO C[C@H](C(=O)NC1CCCC1)[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000067713185 563962574 /nfs/dbraw/zinc/96/25/74/563962574.db2.gz ZUCJOBNTAYGYDK-CQSZACIVSA-N 1 0 325.456 3.580 50 0 EHAARO c1c2ccccc2oc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000096971513 563966570 /nfs/dbraw/zinc/96/65/70/563966570.db2.gz UMMQINLONOICDR-FQEVSTJZSA-N 1 0 336.435 3.596 50 0 EHAARO Cc1nnc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000097103604 563967586 /nfs/dbraw/zinc/96/75/86/563967586.db2.gz HTPRQJIGSKOPII-JSGCOSHPSA-N 1 0 325.334 3.823 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cn3ccnc3)c2)o1 ZINC000097159351 563968338 /nfs/dbraw/zinc/96/83/38/563968338.db2.gz HDRXIJQLUNDKFD-UHFFFAOYSA-N 1 0 347.422 3.513 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000097228492 563970599 /nfs/dbraw/zinc/97/05/99/563970599.db2.gz IOSBXVZHCTUGDU-GUXCAODWSA-N 1 0 340.467 3.850 50 0 EHAARO CCOC(=O)c1c2cc(OC)ccc2oc1C[N@@H+]1CCCC[C@@H]1C ZINC000000054439 563971027 /nfs/dbraw/zinc/97/10/27/563971027.db2.gz IXEWQDWLSGEPBF-ZDUSSCGKSA-N 1 0 331.412 3.993 50 0 EHAARO CC(C)c1ccc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)cc1 ZINC000082096389 563972130 /nfs/dbraw/zinc/97/21/30/563972130.db2.gz WLTOLTUJDMGANK-UHFFFAOYSA-N 1 0 349.478 3.891 50 0 EHAARO Cc1cccc(C)c1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082121069 563972476 /nfs/dbraw/zinc/97/24/76/563972476.db2.gz SKYVSYMOIGRMBM-UHFFFAOYSA-N 1 0 335.451 3.702 50 0 EHAARO FC(F)(F)CC[NH+]1CCC(Nc2cccc(-c3ncon3)c2)CC1 ZINC000097080881 563972608 /nfs/dbraw/zinc/97/26/08/563972608.db2.gz UOIQWEYJRMYYSD-UHFFFAOYSA-N 1 0 340.349 3.565 50 0 EHAARO CC(C)n1cnnc1C1CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000097082877 563973156 /nfs/dbraw/zinc/97/31/56/563973156.db2.gz MLBFJGXXGMMHKO-CQSZACIVSA-N 1 0 339.443 3.941 50 0 EHAARO COc1c(F)cc(CN2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cc1Cl ZINC000091381703 563975364 /nfs/dbraw/zinc/97/53/64/563975364.db2.gz QLVNEPOBNWXENS-XJKSGUPXSA-N 1 0 328.859 3.506 50 0 EHAARO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)c1 ZINC000091680093 563975669 /nfs/dbraw/zinc/97/56/69/563975669.db2.gz FZCMWRZWDLIPSQ-UHFFFAOYSA-N 1 0 326.484 3.670 50 0 EHAARO Cc1cc(F)cc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 ZINC000092002634 563975963 /nfs/dbraw/zinc/97/59/63/563975963.db2.gz MURLFFMHEHJDJW-UHFFFAOYSA-N 1 0 344.474 3.749 50 0 EHAARO Cc1cc(C)c2c(ncnc2NCC[C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC000095355614 563976773 /nfs/dbraw/zinc/97/67/73/563976773.db2.gz UQHIUKOXBMXYLZ-INIZCTEOSA-N 1 0 327.476 3.707 50 0 EHAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@@H]1c1cc(C)no1)=C2 ZINC000097713577 563981774 /nfs/dbraw/zinc/98/17/74/563981774.db2.gz AECXIIGAQXGMDU-MRXNPFEDSA-N 1 0 326.396 3.605 50 0 EHAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)CC2 ZINC000097831214 563982083 /nfs/dbraw/zinc/98/20/83/563982083.db2.gz VIDKKUXUWJZLNW-LPHOPBHVSA-N 1 0 345.874 3.857 50 0 EHAARO C[NH+]1CCN(c2nc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000004828712 563983404 /nfs/dbraw/zinc/98/34/04/563983404.db2.gz CZHLUSHSTNMXMO-UHFFFAOYSA-N 1 0 338.842 3.702 50 0 EHAARO O=C(C[N@@H+]1CCC[C@H]1Cc1cccc2ccccc21)N1CCCCC1 ZINC000060890763 563983902 /nfs/dbraw/zinc/98/39/02/563983902.db2.gz BKUBOYDGEQPLSE-FQEVSTJZSA-N 1 0 336.479 3.859 50 0 EHAARO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3CC3CCCCC3)cc(=O)n12 ZINC000060892989 563984039 /nfs/dbraw/zinc/98/40/39/563984039.db2.gz DSHBLSAICVOTNK-QGZVFWFLSA-N 1 0 345.512 3.999 50 0 EHAARO CC(C)(C)OC(=O)N1CCC[C@H](CCOc2cccc(C[NH3+])c2)C1 ZINC000072233761 563986074 /nfs/dbraw/zinc/98/60/74/563986074.db2.gz YAZKNBUUFMQLBP-OAHLLOKOSA-N 1 0 334.460 3.561 50 0 EHAARO Cc1nnc([C@@H](C)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000338271973 563986684 /nfs/dbraw/zinc/98/66/84/563986684.db2.gz CAFNUFOHQLFTCI-LSDHHAIUSA-N 1 0 336.549 3.884 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000050027993 563987981 /nfs/dbraw/zinc/98/79/81/563987981.db2.gz SFHMLPZMQJHBRK-SFHVURJKSA-N 1 0 340.492 3.545 50 0 EHAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000000212319 563988546 /nfs/dbraw/zinc/98/85/46/563988546.db2.gz DKXXVOUCTYPEQF-LJQANCHMSA-N 1 0 344.499 3.700 50 0 EHAARO Cc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1cccnc1 ZINC000000262097 563989742 /nfs/dbraw/zinc/98/97/42/563989742.db2.gz MXAVGRBCNKFZPB-MRXNPFEDSA-N 1 0 342.512 3.712 50 0 EHAARO Cn1c2ccccc2nc1[C@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000408514308 563992836 /nfs/dbraw/zinc/99/28/36/563992836.db2.gz CQEIKGLZZGTEBU-OXJNMPFZSA-N 1 0 335.451 3.679 50 0 EHAARO [NH3+][C@H]1CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000146131439 563995439 /nfs/dbraw/zinc/99/54/39/563995439.db2.gz RNVLKSOXBSATJW-SHTZXODSSA-N 1 0 336.435 3.795 50 0 EHAARO CC[C@@H](C[NH+](C)C)NC(=O)c1cccc(-c2cccc(C(C)=O)c2)c1 ZINC000426503626 563996266 /nfs/dbraw/zinc/99/62/66/563996266.db2.gz WGODFZHQXJYJOC-FQEVSTJZSA-N 1 0 338.451 3.626 50 0 EHAARO O[C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc2ccccc2s1 ZINC000005274984 564002301 /nfs/dbraw/zinc/00/23/01/564002301.db2.gz DXHUCYNUIKPWCU-OTYXRUKQSA-N 1 0 341.358 3.913 50 0 EHAARO CC[NH+](CC)C[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000005471074 564004468 /nfs/dbraw/zinc/00/44/68/564004468.db2.gz HPSDHIVJUOTFMB-VQTJNVASSA-N 1 0 338.451 3.741 50 0 EHAARO CC(C)(C)c1n[nH]cc1C[NH2+]C1CCC(OCC(F)(F)F)CC1 ZINC000062639898 564007003 /nfs/dbraw/zinc/00/70/03/564007003.db2.gz LPPCREYVQCITTL-UHFFFAOYSA-N 1 0 333.398 3.687 50 0 EHAARO Cc1c(Br)ccc(NC(=O)C[NH+]2CCC(C)CC2)c1C ZINC000009096042 564016688 /nfs/dbraw/zinc/01/66/88/564016688.db2.gz FZFYHLNFUHLHID-UHFFFAOYSA-N 1 0 339.277 3.736 50 0 EHAARO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(F)c1 ZINC000014119416 564021457 /nfs/dbraw/zinc/02/14/57/564021457.db2.gz NELZWEQONKXJSX-UHFFFAOYSA-N 1 0 348.462 3.753 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000105878717 564025338 /nfs/dbraw/zinc/02/53/38/564025338.db2.gz LAZMADIPOGCJSZ-HBMCJLEFSA-N 1 0 340.511 3.875 50 0 EHAARO CCS[C@H]1CCCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000106798371 564026682 /nfs/dbraw/zinc/02/66/82/564026682.db2.gz SMEPPOHEPKYDOQ-KGLIPLIRSA-N 1 0 331.485 3.592 50 0 EHAARO CCOc1ccccc1C[NH2+]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000048784768 564032242 /nfs/dbraw/zinc/03/22/42/564032242.db2.gz OAANWGHTZALOCW-UHFFFAOYSA-N 1 0 341.455 3.905 50 0 EHAARO Cc1ccc(C2(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000223388527 564039751 /nfs/dbraw/zinc/03/97/51/564039751.db2.gz LMFNSAMGAXRNLF-FQEVSTJZSA-N 1 0 348.490 3.665 50 0 EHAARO COc1cccc([C@@H]2c3cc(OC)c(OC)cc3C[NH2+]C2(C)C)c1 ZINC000039347022 564043676 /nfs/dbraw/zinc/04/36/76/564043676.db2.gz KQXZYSHVPPBVCM-LJQANCHMSA-N 1 0 327.424 3.726 50 0 EHAARO Cc1ccc2[nH]c(C[NH2+][C@@H]3CCN(c4ncccc4F)C3)cc2c1C ZINC000225386067 564046311 /nfs/dbraw/zinc/04/63/11/564046311.db2.gz QQAGDBYZCNHJKV-OAHLLOKOSA-N 1 0 338.430 3.687 50 0 EHAARO COc1cc([C@H](C)[NH2+]Cc2c[nH]nc2C)ccc1SC(F)F ZINC000225545322 564047705 /nfs/dbraw/zinc/04/77/05/564047705.db2.gz AYHNOOSRNJMENE-VIFPVBQESA-N 1 0 327.400 3.892 50 0 EHAARO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000449234621 564052418 /nfs/dbraw/zinc/05/24/18/564052418.db2.gz QWXOEAVIEZGGKX-LTCOOKNTSA-N 1 0 342.462 3.813 50 0 EHAARO Cc1ncsc1CC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182855655 564056396 /nfs/dbraw/zinc/05/63/96/564056396.db2.gz MQCFISJGZKJLKW-LBPRGKRZSA-N 1 0 344.406 3.546 50 0 EHAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(O)c2)cnn1-c1cccc(F)c1 ZINC000012470231 564057959 /nfs/dbraw/zinc/05/79/59/564057959.db2.gz PFWKOOKVRFLVNF-CYBMUJFWSA-N 1 0 325.387 3.876 50 0 EHAARO Cc1ccccc1C[N@@H+]1CCCN(Cc2nc3ccccc3o2)CC1 ZINC000042146237 564058392 /nfs/dbraw/zinc/05/83/92/564058392.db2.gz WNFOGPBERVHCFM-UHFFFAOYSA-N 1 0 335.451 3.844 50 0 EHAARO CC[NH+](CC)CC1(NC(=O)N(Cc2ccc(C)s2)C2CC2)CC1 ZINC000534646739 564061333 /nfs/dbraw/zinc/06/13/33/564061333.db2.gz YQKPATUTHGZTFP-UHFFFAOYSA-N 1 0 335.517 3.605 50 0 EHAARO Cc1cc(N2CCCN(C(=O)N[C@@H](C)C3CCCCC3)CC2)cc[nH+]1 ZINC000534648170 564061526 /nfs/dbraw/zinc/06/15/26/564061526.db2.gz BGRLBFSLYMDGBH-KRWDZBQOSA-N 1 0 344.503 3.581 50 0 EHAARO O=C(Nc1cccc2ncccc21)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000084535985 564068643 /nfs/dbraw/zinc/06/86/43/564068643.db2.gz OGVOBKPXJJBWJV-HXUWFJFHSA-N 1 0 331.419 3.838 50 0 EHAARO O=C(Nc1ncc(-c2ccccc2)s1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000084564637 564068745 /nfs/dbraw/zinc/06/87/45/564068745.db2.gz PUFDEOFFLAFSNN-LSDHHAIUSA-N 1 0 342.468 3.558 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccsc1)c1csc2ccccc21 ZINC000575621650 564083945 /nfs/dbraw/zinc/08/39/45/564083945.db2.gz QDOVPLRRXKLDSD-HNNXBMFYSA-N 1 0 330.478 3.996 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000090406860 564084382 /nfs/dbraw/zinc/08/43/82/564084382.db2.gz ZKVNZLAHTGEAMH-OCCSQVGLSA-N 1 0 339.505 3.749 50 0 EHAARO Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCOC4(CCCCC4)C3)c(C)n2n1 ZINC000090527718 564084627 /nfs/dbraw/zinc/08/46/27/564084627.db2.gz KDQISYDHNGBOHF-RDJZCZTQSA-N 1 0 342.487 3.879 50 0 EHAARO CC1(C)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000123281514 564085871 /nfs/dbraw/zinc/08/58/71/564085871.db2.gz ZOAJJSZDEJSXCZ-DZFGPLHGSA-N 1 0 342.527 3.659 50 0 EHAARO CC(C)c1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000123414606 564086550 /nfs/dbraw/zinc/08/65/50/564086550.db2.gz BBNYAOLJZYXZID-QGZVFWFLSA-N 1 0 341.455 3.535 50 0 EHAARO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000241926503 564088438 /nfs/dbraw/zinc/08/84/38/564088438.db2.gz UGQFKQZCGJOCJM-UBDQQSCGSA-N 1 0 348.487 3.534 50 0 EHAARO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000248770206 564089288 /nfs/dbraw/zinc/08/92/88/564089288.db2.gz SNNZCDAPWZYFLB-QKLQHJQFSA-N 1 0 338.451 3.771 50 0 EHAARO Cc1ccc(F)c(-c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)c1 ZINC000426470762 564093811 /nfs/dbraw/zinc/09/38/11/564093811.db2.gz AFTSYKNVTSLAKE-QGZVFWFLSA-N 1 0 326.415 3.577 50 0 EHAARO C[C@@H](c1ccc(-c2nc(N3CCCCC3)n(C)n2)cc1)[NH+]1CCCC1 ZINC000426593811 564094204 /nfs/dbraw/zinc/09/42/04/564094204.db2.gz PYWWLFPYHKNGPL-INIZCTEOSA-N 1 0 339.487 3.629 50 0 EHAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COCc1ccco1 ZINC000036100793 564096111 /nfs/dbraw/zinc/09/61/11/564096111.db2.gz JMRZNSGZJNQYBZ-IBGZPJMESA-N 1 0 331.456 3.686 50 0 EHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccccc1 ZINC000006720116 564096376 /nfs/dbraw/zinc/09/63/76/564096376.db2.gz YKFDUTOEYVPELA-UHFFFAOYSA-N 1 0 336.439 3.630 50 0 EHAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1 ZINC000169677826 564098071 /nfs/dbraw/zinc/09/80/71/564098071.db2.gz NQQPMDQTSMJESX-PKOBYXMFSA-N 1 0 343.467 3.736 50 0 EHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000036396744 564100669 /nfs/dbraw/zinc/10/06/69/564100669.db2.gz MWQWMRZSEGSPBZ-UHFFFAOYSA-N 1 0 330.403 3.799 50 0 EHAARO FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000170593902 564108989 /nfs/dbraw/zinc/10/89/89/564108989.db2.gz MAAIKHLXNJLXON-OAHLLOKOSA-N 1 0 335.373 3.706 50 0 EHAARO CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000089761721 564113558 /nfs/dbraw/zinc/11/35/58/564113558.db2.gz UUPXEOVNNDDDEM-SFHVURJKSA-N 1 0 332.463 3.627 50 0 EHAARO CC(C)(C)OC(=O)N1CCC[N@H+](CCSc2ccccc2)CC1 ZINC000076017033 564114319 /nfs/dbraw/zinc/11/43/19/564114319.db2.gz PVOYEZYAIZYMEV-UHFFFAOYSA-N 1 0 336.501 3.722 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(Cl)c1 ZINC000089941166 564115515 /nfs/dbraw/zinc/11/55/15/564115515.db2.gz XZQXVWMSMMXEEK-CABCVRRESA-N 1 0 345.874 3.811 50 0 EHAARO O=C(OC1CC[NH+](Cc2ccsc2)CC1)[C@H]1C[C@H]1c1ccco1 ZINC000076090690 564115621 /nfs/dbraw/zinc/11/56/21/564115621.db2.gz NEMKGVDQXWCHIH-CVEARBPZSA-N 1 0 331.437 3.652 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000089949112 564115815 /nfs/dbraw/zinc/11/58/15/564115815.db2.gz OOORNHGEQDVECP-XJKSGUPXSA-N 1 0 349.544 3.567 50 0 EHAARO CCO[C@H]1CCC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000089986619 564116013 /nfs/dbraw/zinc/11/60/13/564116013.db2.gz PYHZZVIBPUSKOU-SFHVURJKSA-N 1 0 332.488 3.831 50 0 EHAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000017186453 564116586 /nfs/dbraw/zinc/11/65/86/564116586.db2.gz OTTUUPAQKHWADJ-YCZSINBZSA-N 1 0 345.527 3.883 50 0 EHAARO C[C@@H](NC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237655520 564117781 /nfs/dbraw/zinc/11/77/81/564117781.db2.gz ARUYYMKTPLOQMX-ABAIWWIYSA-N 1 0 337.250 3.913 50 0 EHAARO COc1cccc2c1CC[C@H]2[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000195556462 564123811 /nfs/dbraw/zinc/12/38/11/564123811.db2.gz QONYXESWMBNRHF-MRXNPFEDSA-N 1 0 342.405 3.689 50 0 EHAARO CC(=O)c1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc(C)cc2C)c1 ZINC000007920550 564125403 /nfs/dbraw/zinc/12/54/03/564125403.db2.gz RFDZROCYAKFPPZ-MRXNPFEDSA-N 1 0 338.451 3.965 50 0 EHAARO COc1ccccc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000253370349 564130334 /nfs/dbraw/zinc/13/03/34/564130334.db2.gz PQWPJGGHDZXASJ-XPIZARPCSA-N 1 0 338.451 3.565 50 0 EHAARO O=C(NCCCCc1ccc(Cl)s1)C1CC[NH+](C2CC2)CC1 ZINC000253416478 564130782 /nfs/dbraw/zinc/13/07/82/564130782.db2.gz DSMQOMLKDOBFJD-UHFFFAOYSA-N 1 0 340.920 3.715 50 0 EHAARO Cc1cccc(C(=O)N2CCC[N@H+](CC34CCC(CC3)C4)CC2)c1 ZINC000253429070 564131307 /nfs/dbraw/zinc/13/13/07/564131307.db2.gz MHDLFKMEBNLPJW-UHFFFAOYSA-N 1 0 326.484 3.723 50 0 EHAARO C[C@H](CCN(C)C(=O)NC1(c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000584899155 564131697 /nfs/dbraw/zinc/13/16/97/564131697.db2.gz HKZIWAIUHVZTFY-OAHLLOKOSA-N 1 0 349.906 3.845 50 0 EHAARO Cc1nc(C)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)o1 ZINC000584898740 564131703 /nfs/dbraw/zinc/13/17/03/564131703.db2.gz QHRKAIJYCREPNX-GOSISDBHSA-N 1 0 341.455 3.639 50 0 EHAARO c1cc(-c2ccccc2)oc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000093133809 564137211 /nfs/dbraw/zinc/13/72/11/564137211.db2.gz CIUJJOBYATYYHB-KRWDZBQOSA-N 1 0 348.450 3.864 50 0 EHAARO Cc1cc2oc(=O)cc(CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2cc1Cl ZINC000078876505 564137310 /nfs/dbraw/zinc/13/73/10/564137310.db2.gz OVMFTOXSPVHTNF-UKRRQHHQSA-N 1 0 348.874 3.669 50 0 EHAARO CCn1nc(C)c(C[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c1C ZINC000093280056 564137354 /nfs/dbraw/zinc/13/73/54/564137354.db2.gz IDUYXKMGCWXTHZ-HXUWFJFHSA-N 1 0 345.462 3.605 50 0 EHAARO COC(C)(C)C[C@H](C)NC(=O)Nc1ccc(Cn2ccnc2C)cc1 ZINC000078937331 564137411 /nfs/dbraw/zinc/13/74/11/564137411.db2.gz XQEIFTSQUMSYEW-AWEZNQCLSA-N 1 0 344.459 3.565 50 0 EHAARO CC[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1 ZINC000095350091 564139209 /nfs/dbraw/zinc/13/92/09/564139209.db2.gz CCZCVIKYISBZBL-INIZCTEOSA-N 1 0 329.444 3.695 50 0 EHAARO CC[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(OC)cc1 ZINC000095348765 564139236 /nfs/dbraw/zinc/13/92/36/564139236.db2.gz KOLHYVQFWFAXGS-SFHVURJKSA-N 1 0 340.402 3.656 50 0 EHAARO CC(=O)Nc1ccc(CC[NH2+][C@@H](CC(C)C)c2ccccn2)cc1 ZINC000095421783 564140034 /nfs/dbraw/zinc/14/00/34/564140034.db2.gz NHYQKEGAGQDCCR-FQEVSTJZSA-N 1 0 325.456 3.960 50 0 EHAARO C[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)c1cccs1 ZINC000095421594 564140051 /nfs/dbraw/zinc/14/00/51/564140051.db2.gz ASTRNCDSJKCRTQ-WLYUNCDWSA-N 1 0 338.542 3.533 50 0 EHAARO Cc1cc2cc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)ccc2[nH]1 ZINC000155919070 564141752 /nfs/dbraw/zinc/14/17/52/564141752.db2.gz IJPQOBULEMQHNJ-MRXNPFEDSA-N 1 0 340.471 3.816 50 0 EHAARO CCc1ccccc1NC(=O)C[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000095940803 564142018 /nfs/dbraw/zinc/14/20/18/564142018.db2.gz FPKCVMBDZGJWFH-MRXNPFEDSA-N 1 0 325.456 3.536 50 0 EHAARO O=C1OCCN1c1cccc2c1CC[N@H+](CC1CCCCCC1)C2 ZINC000095982914 564143751 /nfs/dbraw/zinc/14/37/51/564143751.db2.gz XLFTXELAYBMNSK-UHFFFAOYSA-N 1 0 328.456 3.972 50 0 EHAARO O=C(CC/C=C\c1ccccc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000096414292 564147681 /nfs/dbraw/zinc/14/76/81/564147681.db2.gz KHGYWCLMNNCZKG-WMZJFQQLSA-N 1 0 349.478 3.656 50 0 EHAARO CCOCc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1 ZINC000096444554 564148156 /nfs/dbraw/zinc/14/81/56/564148156.db2.gz RGLTWQYYGRYBIG-MOPGFXCFSA-N 1 0 345.487 3.702 50 0 EHAARO Cc1nc2ccccn2c1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000096493142 564148784 /nfs/dbraw/zinc/14/87/84/564148784.db2.gz GRVLZTLABWXZQC-NRFANRHFSA-N 1 0 349.434 3.655 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(F)c(F)c1 ZINC000055472230 564150044 /nfs/dbraw/zinc/15/00/44/564150044.db2.gz ULPBWSLUXBQMPH-LLVKDONJSA-N 1 0 332.329 3.535 50 0 EHAARO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)cc1 ZINC000057473984 564154415 /nfs/dbraw/zinc/15/44/15/564154415.db2.gz IAZWOUYMVLKEFJ-MRXNPFEDSA-N 1 0 348.446 3.815 50 0 EHAARO c1ccc2c(c1)oc1c2cccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000670450525 564159362 /nfs/dbraw/zinc/15/93/62/564159362.db2.gz VDSFWZNUEGRCTA-UHFFFAOYSA-N 1 0 344.418 3.698 50 0 EHAARO CCOc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000038629293 564165344 /nfs/dbraw/zinc/16/53/44/564165344.db2.gz JIWAPYXJMBIATN-AWEZNQCLSA-N 1 0 333.457 3.571 50 0 EHAARO C[NH+](C)Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCC2)c1 ZINC000040086946 564167950 /nfs/dbraw/zinc/16/79/50/564167950.db2.gz YRNDXCHPWJJKDY-UHFFFAOYSA-N 1 0 326.415 3.948 50 0 EHAARO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)c1 ZINC000008936597 564168034 /nfs/dbraw/zinc/16/80/34/564168034.db2.gz YVYJEMHPZJZUNJ-NSHDSACASA-N 1 0 349.814 3.937 50 0 EHAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccccc1C ZINC000040107637 564168072 /nfs/dbraw/zinc/16/80/72/564168072.db2.gz MDJRUIBMDFOALL-UHFFFAOYSA-N 1 0 340.467 3.646 50 0 EHAARO C[C@H]([C@H](C)[NH2+]Cc1cccc(OCc2ccccn2)c1)n1cccn1 ZINC000069372176 564169087 /nfs/dbraw/zinc/16/90/87/564169087.db2.gz LPSBFILJSCURKY-DLBZAZTESA-N 1 0 336.439 3.596 50 0 EHAARO CC[NH+]1CCN(c2ccccc2NC(=O)CC2CCCCC2)CC1 ZINC000069434470 564169419 /nfs/dbraw/zinc/16/94/19/564169419.db2.gz FMWBQSSYPXNJLX-UHFFFAOYSA-N 1 0 329.488 3.737 50 0 EHAARO COc1ccccc1NC(=O)C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000009337757 564172728 /nfs/dbraw/zinc/17/27/28/564172728.db2.gz XOPOBWMCXBRZFM-HILYYZTDSA-N 1 0 342.483 3.828 50 0 EHAARO CC[C@H]1c2ccsc2CCN1CC(=O)N1CCc2sccc2C1 ZINC000010204271 564175114 /nfs/dbraw/zinc/17/51/14/564175114.db2.gz AIMXHQVUKXIWMD-HNNXBMFYSA-N 1 0 346.521 3.704 50 0 EHAARO C/C=C\c1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000096635240 1032352139 /nfs/dbraw/zinc/35/21/39/1032352139.db2.gz ZQQSNXDRBULUOO-MSEQUDFZSA-N 1 0 333.472 3.733 50 0 EHAARO Fc1cccc(OC2CC[NH+](CCc3cn4ccsc4n3)CC2)c1 ZINC000019743451 1018062425 /nfs/dbraw/zinc/06/24/25/1018062425.db2.gz IZBNHYDPZUTAPE-UHFFFAOYSA-N 1 0 345.443 3.621 50 0 EHAARO O=C(Nc1ccccc1F)N1CC(F)(F)C[C@H]1C[NH+]1CCCCC1 ZINC000257190247 1032795766 /nfs/dbraw/zinc/79/57/66/1032795766.db2.gz LQIRCTXOWJLTIL-ZDUSSCGKSA-N 1 0 341.377 3.553 50 0 EHAARO CCOC1CC(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000290132165 1020888392 /nfs/dbraw/zinc/88/83/92/1020888392.db2.gz HDGZMEWYOJUMHR-UHFFFAOYSA-N 1 0 327.428 3.615 50 0 EHAARO Cc1nccn1C[C@H]1CCCN1C(=O)CCc1ccc(C(C)C)cc1 ZINC000177173564 1034774344 /nfs/dbraw/zinc/77/43/44/1034774344.db2.gz WRMZGEMYJOGPKI-HXUWFJFHSA-N 1 0 339.483 3.939 50 0 EHAARO O=C(c1cccs1)N1CCC[N@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC000172290952 1034879761 /nfs/dbraw/zinc/87/97/61/1034879761.db2.gz GBSRMQSRKSNHIH-UHFFFAOYSA-N 1 0 340.492 3.585 50 0 EHAARO CC[C@H](C)Sc1ncc(CN2CCc3[nH]nc(C(C)C)c3C2)cn1 ZINC000032541174 1037224969 /nfs/dbraw/zinc/22/49/69/1037224969.db2.gz SYOVXAUKMTWFNO-ZDUSSCGKSA-N 1 0 345.516 3.772 50 0 EHAARO CC(C)Cc1ccc([C@@H](C)[NH2+]CCn2c(=O)oc3cccnc32)cc1 ZINC000181405844 1038405329 /nfs/dbraw/zinc/40/53/29/1038405329.db2.gz UXCXBMIOWBDYAS-OAHLLOKOSA-N 1 0 339.439 3.539 50 0 EHAARO O=C(CCCc1csc2ccccc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000150966971 1040428490 /nfs/dbraw/zinc/42/84/90/1040428490.db2.gz ANLQFVXQAYQOQO-QGZVFWFLSA-N 1 0 342.508 3.921 50 0 EHAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2cncn2C2CCCCC2)n1 ZINC000252496831 1041323581 /nfs/dbraw/zinc/32/35/81/1041323581.db2.gz PSPYGOWHHXHUAG-UHFFFAOYSA-N 1 0 329.492 3.724 50 0 EHAARO COCc1ccc(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)o1 ZINC000011999325 1129250494 /nfs/dbraw/zinc/25/04/94/1129250494.db2.gz ZNCOIZFHHVPJMD-UHFFFAOYSA-N 1 0 346.471 3.671 50 0 EHAARO Cn1cc(C[N@@H+]2CC[C@@H](O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012056415 1129306218 /nfs/dbraw/zinc/30/62/18/1129306218.db2.gz RBLSJWJSHGPXIB-HXUWFJFHSA-N 1 0 339.483 3.701 50 0 EHAARO Cc1cc(C)cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000012026426 1129375050 /nfs/dbraw/zinc/37/50/50/1129375050.db2.gz XKQLOZONJRILMM-VCOUNFBDSA-N 1 0 338.495 3.984 50 0 EHAARO Cn1cc(C[N@H+](C)Cc2cccnc2)c(-c2cccc(Cl)c2)n1 ZINC000059897203 1129485196 /nfs/dbraw/zinc/48/51/96/1129485196.db2.gz UWVWCILBSUBAHT-UHFFFAOYSA-N 1 0 326.831 3.768 50 0 EHAARO C[N@@H+](Cc1ccc(Oc2ccccc2)o1)C[C@H]1CCn2ccnc2C1 ZINC000377860465 1131158333 /nfs/dbraw/zinc/15/83/33/1131158333.db2.gz MSLMIMDGVCWRCI-INIZCTEOSA-N 1 0 337.423 3.963 50 0 EHAARO Cc1nsc(C)c1C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000573016080 1131435906 /nfs/dbraw/zinc/43/59/06/1131435906.db2.gz HJTRPLZMDBGOBG-UHFFFAOYSA-N 1 0 334.510 3.885 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](n3c(C)cnc3-c3cccnc3)C2)o1 ZINC000575545293 1131568590 /nfs/dbraw/zinc/56/85/90/1131568590.db2.gz FXGNKEOFBBKTTG-GOSISDBHSA-N 1 0 336.439 3.992 50 0 EHAARO COc1cccc(C[N@@H+]2CC[C@H](Cc3ncc(C)n3C(C)C)C2)c1 ZINC000575547314 1131572396 /nfs/dbraw/zinc/57/23/96/1131572396.db2.gz ZCPVZVRADOKPCA-GOSISDBHSA-N 1 0 327.472 3.846 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000581787839 1132356034 /nfs/dbraw/zinc/35/60/34/1132356034.db2.gz DZWBTUFJAMRQOG-NRFANRHFSA-N 1 0 342.527 3.980 50 0 EHAARO CC(C)C(=O)NCCc1ccc(CC2CC[NH+](C(C)C)CC2)cc1 ZINC000581813242 1132366238 /nfs/dbraw/zinc/36/62/38/1132366238.db2.gz OBGADFGFKQBXEE-UHFFFAOYSA-N 1 0 330.516 3.664 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000581806099 1132368413 /nfs/dbraw/zinc/36/84/13/1132368413.db2.gz LFJCCSJCSBWGAQ-IBGZPJMESA-N 1 0 349.478 3.964 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000581808011 1132370638 /nfs/dbraw/zinc/37/06/38/1132370638.db2.gz VBLLXSZACDJKML-AWEZNQCLSA-N 1 0 329.469 3.683 50 0 EHAARO O=C(C1CC1)N1CCC(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000581810485 1132371483 /nfs/dbraw/zinc/37/14/83/1132371483.db2.gz WOIOPDZZFQBUKA-UHFFFAOYSA-N 1 0 340.511 3.864 50 0 EHAARO CC1(C[NH+]2CCC(c3nc4cc(F)ccc4[nH]3)CC2)CCOCC1 ZINC000952869923 1137482955 /nfs/dbraw/zinc/48/29/55/1137482955.db2.gz PLVLMEBDFMRWKS-UHFFFAOYSA-N 1 0 331.435 3.698 50 0 EHAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1cnc(-c2ccccc2OC)s1 ZINC000952965044 1137484097 /nfs/dbraw/zinc/48/40/97/1137484097.db2.gz BLXXYJYMQWDUGN-AWEZNQCLSA-N 1 0 342.468 3.584 50 0 EHAARO CCc1nc(C)c(C[NH2+]C[C@H](c2ccccc2)N2CCCCCC2)[nH]1 ZINC000952974485 1137484453 /nfs/dbraw/zinc/48/44/53/1137484453.db2.gz VYIUHDLABLUHBR-HXUWFJFHSA-N 1 0 340.515 3.987 50 0 EHAARO CC(=O)Oc1c(C)cc(C[NH2+][C@@H](C)c2nc3ccccc3[nH]2)cc1C ZINC000055368999 214313188 /nfs/dbraw/zinc/31/31/88/214313188.db2.gz BPRNJKKNNROYNA-AWEZNQCLSA-N 1 0 337.423 3.956 50 0 EHAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000066971364 215100405 /nfs/dbraw/zinc/10/04/05/215100405.db2.gz IUBJDZIIYOZDHA-CQSZACIVSA-N 1 0 336.439 3.773 50 0 EHAARO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000016606741 201976264 /nfs/dbraw/zinc/97/62/64/201976264.db2.gz RUOSTVKWHIBCSD-UHFFFAOYSA-N 1 0 342.414 3.685 50 0 EHAARO CCC(CC)[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)C1CC1 ZINC000040151465 213273389 /nfs/dbraw/zinc/27/33/89/213273389.db2.gz SOPKYPMDSVZLID-CQSZACIVSA-N 1 0 348.487 3.534 50 0 EHAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000019595511 202014975 /nfs/dbraw/zinc/01/49/75/202014975.db2.gz RMRUQHBLWZNKLP-HNNXBMFYSA-N 1 0 341.484 3.599 50 0 EHAARO CCOc1cc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)ccc1OC ZINC000019789309 202020439 /nfs/dbraw/zinc/02/04/39/202020439.db2.gz QLXLBFIIBKDILA-GOSISDBHSA-N 1 0 344.499 3.568 50 0 EHAARO Clc1ccc(OCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019925065 202026126 /nfs/dbraw/zinc/02/61/26/202026126.db2.gz JMWCESZJOOQZKW-UHFFFAOYSA-N 1 0 344.886 3.927 50 0 EHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2cc(C)c(C)o2)C1 ZINC000020451676 202042986 /nfs/dbraw/zinc/04/29/86/202042986.db2.gz SHDYFXXJVZUTTO-LJQANCHMSA-N 1 0 327.472 3.778 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2onc(-c3ccccc3C)c21 ZINC000021714693 202068800 /nfs/dbraw/zinc/06/88/00/202068800.db2.gz PATPSTPASWNBOZ-UHFFFAOYSA-N 1 0 339.443 3.737 50 0 EHAARO CC[NH+](CC)CCSc1ccc(C(=O)NC2CCCCC2)cn1 ZINC000021663607 202068891 /nfs/dbraw/zinc/06/88/91/202068891.db2.gz YPYQKNSNTHCAEX-UHFFFAOYSA-N 1 0 335.517 3.578 50 0 EHAARO Cc1ccccc1OCC(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170444 202063064 /nfs/dbraw/zinc/06/30/64/202063064.db2.gz CPPZYQXJEXLHDL-IBGZPJMESA-N 1 0 344.499 3.631 50 0 EHAARO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCc2sccc2C1 ZINC000022549927 202087751 /nfs/dbraw/zinc/08/77/51/202087751.db2.gz SUVWMZQQNHJZBA-IEBWSBKVSA-N 1 0 343.492 3.561 50 0 EHAARO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000038075772 202097452 /nfs/dbraw/zinc/09/74/52/202097452.db2.gz XGQPHRIIGKAJJM-LLVKDONJSA-N 1 0 329.271 3.903 50 0 EHAARO CC(C)c1cc(C[NH+]2CCC(CO)(CCc3ccccc3)CC2)[nH]n1 ZINC000023153333 202099356 /nfs/dbraw/zinc/09/93/56/202099356.db2.gz KAZKISSNLWJNFI-UHFFFAOYSA-N 1 0 341.499 3.740 50 0 EHAARO Cc1cccc(OCCCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000025420603 202130839 /nfs/dbraw/zinc/13/08/39/202130839.db2.gz LHCYBWLMGIESDY-HXUWFJFHSA-N 1 0 340.467 3.573 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000025608102 202133965 /nfs/dbraw/zinc/13/39/65/202133965.db2.gz OADQWGLWQOONDQ-CYBMUJFWSA-N 1 0 342.386 3.800 50 0 EHAARO COc1ccc(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000027143625 202153196 /nfs/dbraw/zinc/15/31/96/202153196.db2.gz PUPUNAMMUZVFHV-UHFFFAOYSA-N 1 0 338.451 3.862 50 0 EHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000040108086 202169715 /nfs/dbraw/zinc/16/97/15/202169715.db2.gz FXLPRFGFRCSWMF-HNNXBMFYSA-N 1 0 344.430 3.938 50 0 EHAARO COc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000028292004 202169129 /nfs/dbraw/zinc/16/91/29/202169129.db2.gz RUHJCNAAGSGSFP-LJQANCHMSA-N 1 0 338.451 3.652 50 0 EHAARO COc1ccccc1[C@H](CNc1nc2ccccc2nc1C)[NH+](C)C ZINC000030007860 202191968 /nfs/dbraw/zinc/19/19/68/202191968.db2.gz SLISFBPLAMDOPF-SFHVURJKSA-N 1 0 336.439 3.662 50 0 EHAARO CC(C)CC[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000031933803 202212852 /nfs/dbraw/zinc/21/28/52/202212852.db2.gz ZMOFTPUOJTZISK-UHFFFAOYSA-N 1 0 327.453 3.787 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1Cl ZINC000032398961 202223841 /nfs/dbraw/zinc/22/38/41/202223841.db2.gz MQQZNQXXHBDXQQ-UHFFFAOYSA-N 1 0 346.833 3.657 50 0 EHAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000032759520 202233021 /nfs/dbraw/zinc/23/30/21/202233021.db2.gz AFQMRVHDMVDPDE-AWEZNQCLSA-N 1 0 331.847 3.811 50 0 EHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000032804086 202235629 /nfs/dbraw/zinc/23/56/29/202235629.db2.gz CWXOXMNEWZNCPM-LJQANCHMSA-N 1 0 326.440 3.684 50 0 EHAARO CC(C)CC[N@@H+](Cc1ccccc1F)C[C@H](O)COCc1ccco1 ZINC000036030957 202312159 /nfs/dbraw/zinc/31/21/59/202312159.db2.gz GHQSIWXGGSRCFB-SFHVURJKSA-N 1 0 349.446 3.845 50 0 EHAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C2CC2)cc1 ZINC000036101879 202315631 /nfs/dbraw/zinc/31/56/31/202315631.db2.gz KDJKSVJWOIQASZ-HXUWFJFHSA-N 1 0 325.452 3.708 50 0 EHAARO Fc1ccc(-c2nnc(C3CC[NH+](Cc4ccccn4)CC3)o2)cc1 ZINC000070641638 202336459 /nfs/dbraw/zinc/33/64/59/202336459.db2.gz DZKJIUJBPRWOFP-UHFFFAOYSA-N 1 0 338.386 3.650 50 0 EHAARO c1nc2sc3c(c2c(N[C@@H]2CC[N@@H+]4CCCC[C@H]24)n1)CCCCC3 ZINC000036390232 202325096 /nfs/dbraw/zinc/32/50/96/202325096.db2.gz GVFSWYXZKIPEJN-HUUCEWRRSA-N 1 0 342.512 3.999 50 0 EHAARO CS[C@@H](C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000072949278 202369039 /nfs/dbraw/zinc/36/90/39/202369039.db2.gz HDSWRLRYWAGGFV-XKQJLSEDSA-N 1 0 333.501 3.811 50 0 EHAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000075584123 202382003 /nfs/dbraw/zinc/38/20/03/202382003.db2.gz WSKJEVKUOWFTOZ-HNNXBMFYSA-N 1 0 327.428 3.534 50 0 EHAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000078656942 202398566 /nfs/dbraw/zinc/39/85/66/202398566.db2.gz AKOPTHHJQHUCFH-NRFANRHFSA-N 1 0 333.435 3.922 50 0 EHAARO c1ccc(NC2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000077276001 202391584 /nfs/dbraw/zinc/39/15/84/202391584.db2.gz SHWFVNCWHQNPIZ-UHFFFAOYSA-N 1 0 348.450 3.856 50 0 EHAARO Cn1cc(C[NH2+][C@@H]2CCSc3ccccc32)c(-c2cccnc2)n1 ZINC000097159700 201379113 /nfs/dbraw/zinc/37/91/13/201379113.db2.gz OBBZMNQMNGKSDK-QGZVFWFLSA-N 1 0 336.464 3.809 50 0 EHAARO FC(F)(F)CCN1CCC([NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000097057118 201380019 /nfs/dbraw/zinc/38/00/19/201380019.db2.gz HRGSVOWJLZWVEC-CQSZACIVSA-N 1 0 342.405 3.559 50 0 EHAARO CCOc1ccccc1NC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000058369907 202761775 /nfs/dbraw/zinc/76/17/75/202761775.db2.gz UTJTUYYUZBDINL-HRCADAONSA-N 1 0 333.476 3.573 50 0 EHAARO CC(C)[NH+](CCNC(=O)c1cc(C2CC2)nc2ccccc21)C(C)C ZINC000023179681 212358146 /nfs/dbraw/zinc/35/81/46/212358146.db2.gz IUGXMPSNZBPPRO-UHFFFAOYSA-N 1 0 339.483 3.961 50 0 EHAARO Fc1ccc(C[N@@H+]2CCCN(c3ncnc4sccc43)CC2)cc1 ZINC000023078380 212346419 /nfs/dbraw/zinc/34/64/19/212346419.db2.gz QXJHSOUWGUOQHL-UHFFFAOYSA-N 1 0 342.443 3.543 50 0 EHAARO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193110480 240027261 /nfs/dbraw/zinc/02/72/61/240027261.db2.gz MHAYETPTHCRDJN-GUYCJALGSA-N 1 0 335.904 3.797 50 0 EHAARO CC[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000022683094 212316225 /nfs/dbraw/zinc/31/62/25/212316225.db2.gz SKEIAPKEOFSDFW-RTBURBONSA-N 1 0 328.431 3.738 50 0 EHAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)[C@H]1CCc2ccccc21 ZINC000216330943 241184077 /nfs/dbraw/zinc/18/40/77/241184077.db2.gz FMDDJDJVHKHNJW-QFIPXVFZSA-N 1 0 348.490 3.712 50 0 EHAARO c1nnc([C@H]2CCC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)[nH]1 ZINC000215565925 241131153 /nfs/dbraw/zinc/13/11/53/241131153.db2.gz BDHVQGKNDWWYSY-INIZCTEOSA-N 1 0 326.444 3.506 50 0 EHAARO COc1ccc(C[N@H+](C)[C@H](C)c2cccs2)cc1Cn1cncn1 ZINC000219286587 241375102 /nfs/dbraw/zinc/37/51/02/241375102.db2.gz OFTZEUXVNGXTOT-CQSZACIVSA-N 1 0 342.468 3.590 50 0 EHAARO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000229351974 242160777 /nfs/dbraw/zinc/16/07/77/242160777.db2.gz OPNIRPSCAOHBSL-NHCUHLMSSA-N 1 0 338.451 3.733 50 0 EHAARO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229421771 242163139 /nfs/dbraw/zinc/16/31/39/242163139.db2.gz DVXFWBHSIFTDDJ-JHJVBQTASA-N 1 0 344.377 3.890 50 0 EHAARO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2cccs2)cc1 ZINC000230134400 242237221 /nfs/dbraw/zinc/23/72/21/242237221.db2.gz RGUCWJXJVKWPAM-GDBMZVCRSA-N 1 0 329.469 3.523 50 0 EHAARO Cc1cc(NCCC[NH+](C)C)n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000002355508 201529742 /nfs/dbraw/zinc/52/97/42/201529742.db2.gz KIKIODCPHJNMTM-UHFFFAOYSA-N 1 0 343.862 3.722 50 0 EHAARO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]Cc2cccnc2)cc1 ZINC000088757269 202792767 /nfs/dbraw/zinc/79/27/67/202792767.db2.gz JARAIVKQFRSUEF-UHFFFAOYSA-N 1 0 327.428 3.761 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)C2CC2)CC1 ZINC000069517251 203011536 /nfs/dbraw/zinc/01/15/36/203011536.db2.gz ZSMLSQFZQQBCTP-DLBZAZTESA-N 1 0 332.513 3.635 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000070020342 203071244 /nfs/dbraw/zinc/07/12/44/203071244.db2.gz PCANGFGTSIWPAH-CVEARBPZSA-N 1 0 333.451 3.944 50 0 EHAARO COc1ccc(C[N@H+](C)Cc2[nH]cc(C)c(=O)c2C)c2cccnc12 ZINC000253536262 244013768 /nfs/dbraw/zinc/01/37/68/244013768.db2.gz MJMPSYFOMBMZLO-UHFFFAOYSA-N 1 0 337.423 3.593 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)Nc2cccc(F)c2)[NH+](C)C)cc1 ZINC000071899194 203142615 /nfs/dbraw/zinc/14/26/15/203142615.db2.gz HJKLXCDQZSJOSR-GOSISDBHSA-N 1 0 329.419 3.813 50 0 EHAARO Cc1cc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)ccc1F ZINC000072129618 203166973 /nfs/dbraw/zinc/16/69/73/203166973.db2.gz SKUPSVKAJXKZNS-UHFFFAOYSA-N 1 0 338.426 3.644 50 0 EHAARO Cc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)c(C)c1=O ZINC000072133136 203167150 /nfs/dbraw/zinc/16/71/50/203167150.db2.gz IMWNXIGWFIIVNQ-GOSISDBHSA-N 1 0 342.458 3.976 50 0 EHAARO CCc1ncc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)cn1 ZINC000072143232 203167962 /nfs/dbraw/zinc/16/79/62/203167962.db2.gz JKUZHDPHECVFQO-GOSISDBHSA-N 1 0 325.456 3.732 50 0 EHAARO COc1ccc(C[NH2+]Cc2cn(C)nc2C(C)C)c(C(F)(F)F)c1 ZINC000071924581 203153019 /nfs/dbraw/zinc/15/30/19/203153019.db2.gz TYAVDRVORJMDEG-UHFFFAOYSA-N 1 0 341.377 3.861 50 0 EHAARO COc1ccc(/C=C/C[N@H+](C)Cc2cc(-c3ccncc3)no2)cc1 ZINC000072171131 203181645 /nfs/dbraw/zinc/18/16/45/203181645.db2.gz BJRJKBPHFDGHCJ-ONEGZZNKSA-N 1 0 335.407 3.890 50 0 EHAARO O=C(c1cccs1)N1CCC[N@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000093385960 203196003 /nfs/dbraw/zinc/19/60/03/203196003.db2.gz XHHNOKVIRHDEIM-UHFFFAOYSA-N 1 0 339.464 3.578 50 0 EHAARO Cc1ccc([C@H](Cn2ccnc2-c2ccnc(C(C)C)n2)[NH+](C)C)o1 ZINC000072408858 203215834 /nfs/dbraw/zinc/21/58/34/203215834.db2.gz ZTUDFHYCULWICL-INIZCTEOSA-N 1 0 339.443 3.668 50 0 EHAARO COc1ccc2c(c1)C=C(C[NH+]1CCC(c3ccncc3)CC1)CO2 ZINC000072408793 203216082 /nfs/dbraw/zinc/21/60/82/203216082.db2.gz DBQGVEOZVMADGZ-UHFFFAOYSA-N 1 0 336.435 3.746 50 0 EHAARO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000073104289 203256286 /nfs/dbraw/zinc/25/62/86/203256286.db2.gz LZMNIUSXWXUGHX-IXDOHACOSA-N 1 0 342.483 3.659 50 0 EHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@H]3C=CCC3)cc2)CC1 ZINC000075143230 203307358 /nfs/dbraw/zinc/30/73/58/203307358.db2.gz XFPFISSMEKPQJD-KRWDZBQOSA-N 1 0 341.499 3.759 50 0 EHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4occc4c3)C2)CN1C1CC1 ZINC000077458073 203389846 /nfs/dbraw/zinc/38/98/46/203389846.db2.gz CXIDLIZKRIFZSN-OAQYLSRUSA-N 1 0 338.451 3.800 50 0 EHAARO Cc1cc(Cl)ccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095372781 203721445 /nfs/dbraw/zinc/72/14/45/203721445.db2.gz XNHKFGGOGVNZFR-SJLPKXTDSA-N 1 0 346.902 3.985 50 0 EHAARO Cc1ccc(C)c2c1CCC[C@H]2[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000095453380 203745582 /nfs/dbraw/zinc/74/55/82/203745582.db2.gz KVVZOFQAFXZUMG-LJQANCHMSA-N 1 0 338.451 3.732 50 0 EHAARO CCOC(=O)C1CC[NH+](CCOc2cc(C)ccc2C(C)C)CC1 ZINC000016527136 211912174 /nfs/dbraw/zinc/91/21/74/211912174.db2.gz OLKAAZISAWSFEH-UHFFFAOYSA-N 1 0 333.472 3.772 50 0 EHAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000123957987 204943049 /nfs/dbraw/zinc/94/30/49/204943049.db2.gz JIEIZWUKPBHZCQ-HNNXBMFYSA-N 1 0 332.806 3.628 50 0 EHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2)CC1 ZINC000005089689 205745025 /nfs/dbraw/zinc/74/50/25/205745025.db2.gz LDLPSWDOPOYKQP-UHFFFAOYSA-N 1 0 343.858 3.734 50 0 EHAARO CN1CC2(CCC1=O)CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000091433949 218004753 /nfs/dbraw/zinc/00/47/53/218004753.db2.gz FNADEBNUUDLVAR-UHFFFAOYSA-N 1 0 340.389 3.540 50 0 EHAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000012422052 207143893 /nfs/dbraw/zinc/14/38/93/207143893.db2.gz ADXWNWVBVVCJEJ-DIGXMAGLSA-N 1 0 337.548 3.947 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccc2ccccc21)c1ccsc1 ZINC000013011250 207274080 /nfs/dbraw/zinc/27/40/80/207274080.db2.gz HERAYTJNONFMFB-IBGZPJMESA-N 1 0 338.476 3.863 50 0 EHAARO CC(C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)c1cccnc1 ZINC000097237718 219003022 /nfs/dbraw/zinc/00/30/22/219003022.db2.gz PLHFXTNGUNRELG-QGZVFWFLSA-N 1 0 330.501 3.536 50 0 EHAARO c1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccncc4)no3)C2)cc1 ZINC000328587304 258045965 /nfs/dbraw/zinc/04/59/65/258045965.db2.gz YGHUKLYTMLWJCA-WIYYLYMNSA-N 1 0 346.434 3.685 50 0 EHAARO O=C1[C@@H]2CCCC[C@H]2[C@@H]([NH2+]CCc2ccccc2)N1Cc1ccccc1 ZINC000334163100 258015817 /nfs/dbraw/zinc/01/58/17/258015817.db2.gz LMZZXKYFXFRXTN-VSKRKVRLSA-N 1 0 348.490 3.994 50 0 EHAARO Cc1cccnc1-c1cccc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000299799273 258103139 /nfs/dbraw/zinc/10/31/39/258103139.db2.gz FCGDNKUFOGWMGB-JOCHJYFZSA-N 1 0 349.478 3.615 50 0 EHAARO O=C(NCCSC1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000299759864 258077111 /nfs/dbraw/zinc/07/71/11/258077111.db2.gz ODVKCWIEVLOELK-IBGZPJMESA-N 1 0 346.540 3.833 50 0 EHAARO Fc1ccc(-c2ccc(N3CC[NH+](Cc4ccccc4)CC3)nn2)cc1 ZINC000055102120 132193932 /nfs/dbraw/zinc/19/39/32/132193932.db2.gz ZENKJNLEWLMQHD-UHFFFAOYSA-N 1 0 348.425 3.605 50 0 EHAARO C[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc([S@@](C)=O)cc1 ZINC000096476553 519100532 /nfs/dbraw/zinc/10/05/32/519100532.db2.gz AUEKNSMGMXJVRH-OWJWWREXSA-N 1 0 338.476 3.866 50 0 EHAARO CC(C)c1cc(Br)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000236711397 535342333 /nfs/dbraw/zinc/34/23/33/535342333.db2.gz MISMYURKFWDHLI-UHFFFAOYSA-N 1 0 325.250 3.511 50 0 EHAARO COc1ccc(F)c(F)c1C[N@@H+]1CCCC[C@@H]1CCn1ccnc1 ZINC000216214848 536599660 /nfs/dbraw/zinc/59/96/60/536599660.db2.gz FJZLMLSRFYFARS-CQSZACIVSA-N 1 0 335.398 3.615 50 0 EHAARO O=C(NC1CC[NH+](Cc2c[nH]c3ccccc23)CC1)C1CCCCC1 ZINC000000083555 563219338 /nfs/dbraw/zinc/21/93/38/563219338.db2.gz PAEWGUZGPXKTQY-UHFFFAOYSA-N 1 0 339.483 3.829 50 0 EHAARO Cc1cc(NC(=O)CC[NH+]2CCCCC2)ccc1Br ZINC000000176186 563252970 /nfs/dbraw/zinc/25/29/70/563252970.db2.gz GNWKHWLRRJFWMB-UHFFFAOYSA-N 1 0 325.250 3.572 50 0 EHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000000214471 563261553 /nfs/dbraw/zinc/26/15/53/563261553.db2.gz SLLZPBXWZJJYKU-ZDUSSCGKSA-N 1 0 326.843 3.560 50 0 EHAARO O=C(c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1)C1CCCCC1 ZINC000002515262 563436371 /nfs/dbraw/zinc/43/63/71/563436371.db2.gz GYIAFHJYPPXGDU-UHFFFAOYSA-N 1 0 343.467 3.789 50 0 EHAARO C[C@H]1CCC[C@@H]([NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)C1 ZINC000002734701 563447402 /nfs/dbraw/zinc/44/74/02/563447402.db2.gz SVKBQAXMGBRMLF-SIKLNZKXSA-N 1 0 341.543 3.852 50 0 EHAARO CCOC(=O)c1c(C)oc2c1c(O)c(OC)cc2C[NH+]1CCCCC1 ZINC000005510676 563535783 /nfs/dbraw/zinc/53/57/83/563535783.db2.gz BSOHRPISYMXMSA-UHFFFAOYSA-N 1 0 347.411 3.618 50 0 EHAARO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccncc1 ZINC000097370655 563595668 /nfs/dbraw/zinc/59/56/68/563595668.db2.gz DZDGCRWMZAIELD-GJZGRUSLSA-N 1 0 337.423 3.698 50 0 EHAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2CC ZINC000009942051 563645657 /nfs/dbraw/zinc/64/56/57/563645657.db2.gz MBJNGUIGGSOPER-UHFFFAOYSA-N 1 0 328.460 3.781 50 0 EHAARO CCOC(=O)[C@@H]1CCCN(Cc2nc(-c3ccccc3F)oc2C)C1 ZINC000011843429 563651276 /nfs/dbraw/zinc/65/12/76/563651276.db2.gz ZCIHCYBFYBAMBB-CQSZACIVSA-N 1 0 346.402 3.564 50 0 EHAARO O=C(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1cccc(F)c1 ZINC000011842872 563651314 /nfs/dbraw/zinc/65/13/14/563651314.db2.gz WQACHWKSUMPYMH-GOSISDBHSA-N 1 0 346.833 3.874 50 0 EHAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000012005586 563652738 /nfs/dbraw/zinc/65/27/38/563652738.db2.gz PBQOMWDSAYDUSJ-KRWDZBQOSA-N 1 0 327.399 3.929 50 0 EHAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)o1 ZINC000012197809 563655750 /nfs/dbraw/zinc/65/57/50/563655750.db2.gz ADPRHUUZWKLORV-HNNXBMFYSA-N 1 0 341.407 3.666 50 0 EHAARO OC[C@@]1(CCOc2ccccc2)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012315968 563658015 /nfs/dbraw/zinc/65/80/15/563658015.db2.gz DGJVCCKQJFWQPN-QGZVFWFLSA-N 1 0 345.405 3.873 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012382518 563659350 /nfs/dbraw/zinc/65/93/50/563659350.db2.gz IRENSBLOCIBPKX-UHFFFAOYSA-N 1 0 336.479 3.885 50 0 EHAARO Cc1ccc(-n2ncc3c2ncnc3N2CCCCC2)cc1Cl ZINC000004354694 563665742 /nfs/dbraw/zinc/66/57/42/563665742.db2.gz ASMPAOCPAUIKFT-UHFFFAOYSA-N 1 0 327.819 3.768 50 0 EHAARO CC[NH+]1CCC(NC(=O)c2cc(C)c(-c3ccccc3)s2)CC1 ZINC000013326872 563695261 /nfs/dbraw/zinc/69/52/61/563695261.db2.gz YDDPKJRDZBVNTF-UHFFFAOYSA-N 1 0 328.481 3.938 50 0 EHAARO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(O)cc1 ZINC000013655835 563707543 /nfs/dbraw/zinc/70/75/43/563707543.db2.gz ZIPWSYBQDORAHA-GOSISDBHSA-N 1 0 349.390 3.572 50 0 EHAARO Cc1c(C[NH2+][C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)cnn1C ZINC000014958031 563768133 /nfs/dbraw/zinc/76/81/33/563768133.db2.gz PPRHRSNASQTALY-LJQANCHMSA-N 1 0 349.482 3.698 50 0 EHAARO Cc1cc(C)c(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)o1 ZINC000014965297 563768724 /nfs/dbraw/zinc/76/87/24/563768724.db2.gz CKLGVBGVSOJRLL-GOSISDBHSA-N 1 0 326.440 3.633 50 0 EHAARO CC(C)c1csc(C[NH+]2CCC(CCC(=O)NC3CC3)CC2)n1 ZINC000015062947 563774226 /nfs/dbraw/zinc/77/42/26/563774226.db2.gz LCJBRYCFENLDQX-UHFFFAOYSA-N 1 0 335.517 3.537 50 0 EHAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000015063014 563774275 /nfs/dbraw/zinc/77/42/75/563774275.db2.gz XQSUIKLDVHSOMV-MRXNPFEDSA-N 1 0 344.503 3.861 50 0 EHAARO Cc1ccccc1-c1cnc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)s1 ZINC000127116221 563824415 /nfs/dbraw/zinc/82/44/15/563824415.db2.gz ICWHKNVSZNYIHK-CQSZACIVSA-N 1 0 344.484 3.534 50 0 EHAARO CC(=O)c1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000019228190 563855176 /nfs/dbraw/zinc/85/51/76/563855176.db2.gz YKEMZDYVJDMGRF-FQEVSTJZSA-N 1 0 340.442 3.783 50 0 EHAARO C[C@H](NC(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1csc2ccccc21 ZINC000072268280 563895304 /nfs/dbraw/zinc/89/53/04/563895304.db2.gz QPKKGBTZRXOTNL-KBPBESRZSA-N 1 0 331.485 3.555 50 0 EHAARO CC(C)(C)[NH2+]C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000011027326 563901475 /nfs/dbraw/zinc/90/14/75/563901475.db2.gz SBLSKNLDQYKYHX-CYBMUJFWSA-N 1 0 334.891 3.923 50 0 EHAARO CC(C)(C)[NH2+]C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000011027327 563901493 /nfs/dbraw/zinc/90/14/93/563901493.db2.gz SBLSKNLDQYKYHX-ZDUSSCGKSA-N 1 0 334.891 3.923 50 0 EHAARO Cn1c(C[NH2+][C@@H]2CCCSC2)nc2cc(C(F)(F)F)ccc21 ZINC000150970581 563919670 /nfs/dbraw/zinc/91/96/70/563919670.db2.gz MCSOOFWZKURKJG-LLVKDONJSA-N 1 0 329.391 3.577 50 0 EHAARO COc1cccc(-c2noc3c2C[N@@H+](C2Cc4ccccc4C2)CC3)c1 ZINC000039461303 563922567 /nfs/dbraw/zinc/92/25/67/563922567.db2.gz UAFCBAPCOIPRIZ-UHFFFAOYSA-N 1 0 346.430 3.876 50 0 EHAARO Clc1ccc([C@@H]([NH2+]Cc2cnc(N3CCCC3)nc2)C2CC2)cc1 ZINC000048683035 563924498 /nfs/dbraw/zinc/92/44/98/563924498.db2.gz JMMYJRAYTGDHCR-SFHVURJKSA-N 1 0 342.874 3.971 50 0 EHAARO O=C(NCC[NH+]1CCCCC1)c1cccc(NCc2cccs2)c1 ZINC000055108491 563933813 /nfs/dbraw/zinc/93/38/13/563933813.db2.gz XZGPGNCHSSCGCJ-UHFFFAOYSA-N 1 0 343.496 3.576 50 0 EHAARO CSc1nnc(CC2CC[NH+](C[C@@H](C)c3ccccc3)CC2)n1C ZINC000055310462 563934465 /nfs/dbraw/zinc/93/44/65/563934465.db2.gz HBZCCYODCMONEK-OAHLLOKOSA-N 1 0 344.528 3.595 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)nc2ccc(Cl)cn12 ZINC000058193786 563939464 /nfs/dbraw/zinc/93/94/64/563939464.db2.gz NQEGMFPCMAITKL-CQSZACIVSA-N 1 0 345.855 3.747 50 0 EHAARO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]1c1ccccn1 ZINC000058266758 563941287 /nfs/dbraw/zinc/94/12/87/563941287.db2.gz SDEQUNCJAYAZQK-FQEVSTJZSA-N 1 0 335.451 3.655 50 0 EHAARO C[C@@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000058345063 563943222 /nfs/dbraw/zinc/94/32/22/563943222.db2.gz XMGZOTNIVNOXIQ-JTQLQIEISA-N 1 0 336.233 3.729 50 0 EHAARO Cc1cc(-n2nc(C3CC3)nc2CN2CCCCCCC2)cc[nH+]1 ZINC000065373411 563958644 /nfs/dbraw/zinc/95/86/44/563958644.db2.gz WPBBQMUHHRPOMA-UHFFFAOYSA-N 1 0 325.460 3.614 50 0 EHAARO Cc1nccn1-c1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065395449 563959638 /nfs/dbraw/zinc/95/96/38/563959638.db2.gz NVJJNKJJWKYCDU-MRXNPFEDSA-N 1 0 348.450 3.606 50 0 EHAARO C[C@H](c1cccc(-c2nc3ccccc3n2CCO)c1)[NH+]1CCCC1 ZINC000065397471 563959788 /nfs/dbraw/zinc/95/97/88/563959788.db2.gz WDCMHIDYIOLHBM-MRXNPFEDSA-N 1 0 335.451 3.852 50 0 EHAARO CCCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(NC(C)=O)cc1 ZINC000067432856 563962289 /nfs/dbraw/zinc/96/22/89/563962289.db2.gz HKQXWMQZEKWVAL-IBGZPJMESA-N 1 0 326.444 3.506 50 0 EHAARO Cc1c(C[N@@H+](C)CCC(=O)N2CCC[C@H](C)C2)[nH]c2ccccc12 ZINC000067605432 563962397 /nfs/dbraw/zinc/96/23/97/563962397.db2.gz COEUAWMBKSGHLS-HNNXBMFYSA-N 1 0 327.472 3.557 50 0 EHAARO CC(C)CN(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CC1 ZINC000096817107 563962655 /nfs/dbraw/zinc/96/26/55/563962655.db2.gz QZGPEGRHSWSJIV-UHFFFAOYSA-N 1 0 341.238 3.667 50 0 EHAARO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000067804311 563962776 /nfs/dbraw/zinc/96/27/76/563962776.db2.gz QJGGRZKDXAGBIH-MRXNPFEDSA-N 1 0 339.483 3.609 50 0 EHAARO Cc1ncsc1CC[N@@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000067880492 563962989 /nfs/dbraw/zinc/96/29/89/563962989.db2.gz DHFOOIXUZFDWLQ-UHFFFAOYSA-N 1 0 341.480 3.584 50 0 EHAARO CC(C)[C@@H](NC(=O)c1ccccc1C(F)(F)F)C1=CCC[N@H+](C)C1 ZINC000067982337 563963187 /nfs/dbraw/zinc/96/31/87/563963187.db2.gz MERJUVWUCFNEJW-MRXNPFEDSA-N 1 0 340.389 3.722 50 0 EHAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccccc1 ZINC000004679284 563963858 /nfs/dbraw/zinc/96/38/58/563963858.db2.gz WCIPUILQDVYGHE-UHFFFAOYSA-N 1 0 325.387 3.948 50 0 EHAARO CSc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000097101072 563967726 /nfs/dbraw/zinc/96/77/26/563967726.db2.gz NHXNMEOQBWOQIV-OAHLLOKOSA-N 1 0 333.501 3.748 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cn3cccn3)cc2)o1 ZINC000097159577 563968328 /nfs/dbraw/zinc/96/83/28/563968328.db2.gz AHEIHGWLKRYLTN-UHFFFAOYSA-N 1 0 347.422 3.513 50 0 EHAARO COc1ccccc1-c1ncc(CN2CCCC[C@H]([NH+](C)C)C2)s1 ZINC000082098556 563972238 /nfs/dbraw/zinc/97/22/38/563972238.db2.gz CCFDUASRQHXODH-HNNXBMFYSA-N 1 0 345.512 3.735 50 0 EHAARO Cc1cccc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1 ZINC000091254733 563975156 /nfs/dbraw/zinc/97/51/56/563975156.db2.gz YXQRJIJGIIFAOM-FGZHOGPDSA-N 1 0 348.490 3.661 50 0 EHAARO CCC[C@H]1CN(C(=O)c2ccccc2Cc2ccc(C)cc2)C[C@@H]1[NH3+] ZINC000091536923 563975488 /nfs/dbraw/zinc/97/54/88/563975488.db2.gz BODXBNHZLXIBPX-FPOVZHCZSA-N 1 0 336.479 3.785 50 0 EHAARO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(F)c21 ZINC000091691619 563975666 /nfs/dbraw/zinc/97/56/66/563975666.db2.gz ASRXEBHNHZCNOT-UHFFFAOYSA-N 1 0 346.789 3.536 50 0 EHAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000091950980 563975908 /nfs/dbraw/zinc/97/59/08/563975908.db2.gz QBFHGEVILUZCDF-KRWDZBQOSA-N 1 0 339.483 3.794 50 0 EHAARO CCN(C)C1(C[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)CCCC1 ZINC000092061895 563976029 /nfs/dbraw/zinc/97/60/29/563976029.db2.gz ZHTCDZCRHJDDSL-UHFFFAOYSA-N 1 0 347.890 3.948 50 0 EHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Cl ZINC000095363346 563976796 /nfs/dbraw/zinc/97/67/96/563976796.db2.gz KHJLDLDEOSIDGD-CQSZACIVSA-N 1 0 348.796 3.849 50 0 EHAARO COCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1oc3ccc(C)cc3c1C)C2 ZINC000095381235 563976851 /nfs/dbraw/zinc/97/68/51/563976851.db2.gz ZRKHPRKBUDXPES-ZWKOTPCHSA-N 1 0 342.483 3.592 50 0 EHAARO Cc1ccccc1[C@H]1CC[N@@H+](CCNc2nc(C)nc3ncccc32)C1 ZINC000095385945 563976925 /nfs/dbraw/zinc/97/69/25/563976925.db2.gz VQJOTFBLFGOCQZ-KRWDZBQOSA-N 1 0 347.466 3.543 50 0 EHAARO c1cn(Cc2cscn2)c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000095390224 563976931 /nfs/dbraw/zinc/97/69/31/563976931.db2.gz BWGPCSCLJZQKSL-QGZVFWFLSA-N 1 0 338.480 3.768 50 0 EHAARO COc1ccc(-c2nc3c([nH]2)C[N@@H+]([C@H](C)CCSC)CC3)cc1 ZINC000096139573 563979483 /nfs/dbraw/zinc/97/94/83/563979483.db2.gz SLJVVJOEZJTBRJ-CYBMUJFWSA-N 1 0 331.485 3.585 50 0 EHAARO Fc1ccc(-c2n[nH]cc2C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000097288701 563981470 /nfs/dbraw/zinc/98/14/70/563981470.db2.gz DHJHERPXNXZJEV-UHFFFAOYSA-N 1 0 347.397 3.692 50 0 EHAARO CC[N@H+](C)C1(CNc2nccc(-c3ccccn3)n2)CCCCC1 ZINC000097468484 563981555 /nfs/dbraw/zinc/98/15/55/563981555.db2.gz JJPSKXJWXDMHHU-UHFFFAOYSA-N 1 0 325.460 3.605 50 0 EHAARO COc1cccc(C[N@H+](Cc2scnc2C)C2CCC(O)CC2)c1 ZINC000092966847 563984300 /nfs/dbraw/zinc/98/43/00/563984300.db2.gz WJFACSMOFJQRJD-UHFFFAOYSA-N 1 0 346.496 3.766 50 0 EHAARO CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2cccc(C[NH3+])c2)C1 ZINC000072233762 563986075 /nfs/dbraw/zinc/98/60/75/563986075.db2.gz YAZKNBUUFMQLBP-HNNXBMFYSA-N 1 0 334.460 3.561 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000237178897 563989053 /nfs/dbraw/zinc/98/90/53/563989053.db2.gz HYCVULZFQKKRND-KBPBESRZSA-N 1 0 342.405 3.657 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccc(C)nn4)C3)C2)c1 ZINC000426509624 563996216 /nfs/dbraw/zinc/99/62/16/563996216.db2.gz ZDDVGXJTMQFMGQ-OAQYLSRUSA-N 1 0 336.483 3.586 50 0 EHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)C1 ZINC000179020699 563996420 /nfs/dbraw/zinc/99/64/20/563996420.db2.gz HFEZPPPNSTWPOV-KRWDZBQOSA-N 1 0 337.467 3.729 50 0 EHAARO O=C(Nc1cccc(-n2cccc2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000252551875 563997888 /nfs/dbraw/zinc/99/78/88/563997888.db2.gz UIQHMEPJNHUNTD-IBGZPJMESA-N 1 0 338.455 3.569 50 0 EHAARO CC(C)c1nnc(-c2ccc(Cl)cc2)c(NCCC[NH+](C)C)n1 ZINC000002050040 564003656 /nfs/dbraw/zinc/00/36/56/564003656.db2.gz IAFIEVWGHOEJCN-UHFFFAOYSA-N 1 0 333.867 3.679 50 0 EHAARO COc1cccc(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000005525680 564004986 /nfs/dbraw/zinc/00/49/86/564004986.db2.gz HVRINZSEISPUSB-ZWKOTPCHSA-N 1 0 329.827 3.877 50 0 EHAARO O=C(CCc1ccccc1)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008862543 564007223 /nfs/dbraw/zinc/00/72/23/564007223.db2.gz NLDRLTOQSBHOCR-SFHVURJKSA-N 1 0 328.481 3.634 50 0 EHAARO c1ccc([C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c2ccccn2)cc1 ZINC000180967363 564017028 /nfs/dbraw/zinc/01/70/28/564017028.db2.gz OFYIVWCVEFEQNH-YZGWKJHDSA-N 1 0 340.492 3.815 50 0 EHAARO CC[NH+](CC)C[C@H](NC(=O)Nc1ccccc1OC)c1ccccc1 ZINC000018173815 564018538 /nfs/dbraw/zinc/01/85/38/564018538.db2.gz KXEQJALGELUSPT-SFHVURJKSA-N 1 0 341.455 3.900 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000018179147 564018564 /nfs/dbraw/zinc/01/85/64/564018564.db2.gz LHGCZVCRHXSRIX-UHFFFAOYSA-N 1 0 330.259 3.988 50 0 EHAARO c1cc([C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1 ZINC000179856766 564022859 /nfs/dbraw/zinc/02/28/59/564022859.db2.gz RWNXJQBUPCWAMM-SFHVURJKSA-N 1 0 348.450 3.763 50 0 EHAARO Cc1sc(-n2cccc2)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000047257472 564025956 /nfs/dbraw/zinc/02/59/56/564025956.db2.gz WHNHIJAKTVYMAQ-HZPDHXFCSA-N 1 0 343.496 3.512 50 0 EHAARO O=C(Nc1nc(C2CC2)cs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047305787 564026083 /nfs/dbraw/zinc/02/60/83/564026083.db2.gz VEFLFWYXVOSADI-UHFFFAOYSA-N 1 0 341.480 3.871 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1F ZINC000107323609 564026848 /nfs/dbraw/zinc/02/68/48/564026848.db2.gz YDYFHXSTGXRCCL-SNUQEOBHSA-N 1 0 336.426 3.653 50 0 EHAARO CCOc1ccc([C@@H](C)NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000045348871 564028387 /nfs/dbraw/zinc/02/83/87/564028387.db2.gz CDNNDHLZBJQHBA-MRXNPFEDSA-N 1 0 347.503 3.566 50 0 EHAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000047725577 564029655 /nfs/dbraw/zinc/02/96/55/564029655.db2.gz XONXWZJMWOKWCM-AWEZNQCLSA-N 1 0 339.439 3.830 50 0 EHAARO CCN1C[C@H](C[N@H+](C)Cc2cccc3cccnc32)Oc2ccccc21 ZINC000048333863 564031107 /nfs/dbraw/zinc/03/11/07/564031107.db2.gz IQCBHMDUPPBFLW-IBGZPJMESA-N 1 0 347.462 3.954 50 0 EHAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccc2c(c1)OCCO2 ZINC000048682864 564032044 /nfs/dbraw/zinc/03/20/44/564032044.db2.gz SESNDBDCQMKVMB-HNNXBMFYSA-N 1 0 347.418 3.766 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1F ZINC000024084134 564036402 /nfs/dbraw/zinc/03/64/02/564036402.db2.gz XAHFBURMWRTUIA-LBPRGKRZSA-N 1 0 349.402 3.711 50 0 EHAARO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c(OC)c1 ZINC000025356095 564037160 /nfs/dbraw/zinc/03/71/60/564037160.db2.gz BSODGRRHZBWELH-OAHLLOKOSA-N 1 0 337.423 3.740 50 0 EHAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)CCc1c[nH]c2ccccc12 ZINC000223215698 564039248 /nfs/dbraw/zinc/03/92/48/564039248.db2.gz LHGBZOXADQJVFW-UHFFFAOYSA-N 1 0 347.462 3.705 50 0 EHAARO CCCCN(C)c1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000241564190 564052028 /nfs/dbraw/zinc/05/20/28/564052028.db2.gz OSBNNCCSBRJLQU-PXNSSMCTSA-N 1 0 343.515 3.622 50 0 EHAARO CC(=O)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000012479602 564058013 /nfs/dbraw/zinc/05/80/13/564058013.db2.gz SGZGHZXSYDMUOA-HXUWFJFHSA-N 1 0 342.483 3.664 50 0 EHAARO Cc1ccc(C[NH2+]CC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000003222796 564058572 /nfs/dbraw/zinc/05/85/72/564058572.db2.gz CRUKNTKLIHIJMP-UHFFFAOYSA-N 1 0 347.256 3.794 50 0 EHAARO Cc1cccc(C)c1-n1nnnc1C1([NH+]2CCCC2)CCCCC1 ZINC000012618726 564060695 /nfs/dbraw/zinc/06/06/95/564060695.db2.gz CQMOABIPIGOFJE-UHFFFAOYSA-N 1 0 325.460 3.534 50 0 EHAARO Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000084086083 564066275 /nfs/dbraw/zinc/06/62/75/564066275.db2.gz WFSPGYWYHRDUJY-UHFFFAOYSA-N 1 0 338.499 3.713 50 0 EHAARO Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCCCCCC2)c(C)c1 ZINC000084133433 564066846 /nfs/dbraw/zinc/06/68/46/564066846.db2.gz WIHLJUPKIDPXNB-INIZCTEOSA-N 1 0 331.460 3.606 50 0 EHAARO O=C(NCc1ccccc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012773048 564069070 /nfs/dbraw/zinc/06/90/70/564069070.db2.gz DYSBRXUKTQYLQC-UHFFFAOYSA-N 1 0 326.415 3.742 50 0 EHAARO C[C@H]1CCc2[nH]c3c(cccc3C(=O)NCCC[NH+]3CCCC3)c2C1 ZINC000084700170 564069694 /nfs/dbraw/zinc/06/96/94/564069694.db2.gz WPVVWDQMAMJDTP-HNNXBMFYSA-N 1 0 339.483 3.508 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)C1 ZINC000084789095 564070217 /nfs/dbraw/zinc/07/02/17/564070217.db2.gz NEGXBUMKWHYOEV-HNNXBMFYSA-N 1 0 335.451 3.783 50 0 EHAARO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1sccc1Br ZINC000185057873 564072436 /nfs/dbraw/zinc/07/24/36/564072436.db2.gz QZYTZUYZLXJCSS-ONGXEEELSA-N 1 0 330.247 3.705 50 0 EHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000012903487 564077779 /nfs/dbraw/zinc/07/77/79/564077779.db2.gz TYOKXPIYYHXYOG-FQEVSTJZSA-N 1 0 338.451 3.539 50 0 EHAARO O=C(Cc1ccc(Cl)cc1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000012906044 564077842 /nfs/dbraw/zinc/07/78/42/564077842.db2.gz YLIOMKRCICWDSR-IBGZPJMESA-N 1 0 342.870 3.836 50 0 EHAARO Cc1cccc(C[NH+]2CCN(c3nc4ccccc4nc3C)CC2)c1 ZINC000012952486 564080334 /nfs/dbraw/zinc/08/03/34/564080334.db2.gz JAMIBMQLOSPVOL-UHFFFAOYSA-N 1 0 332.451 3.569 50 0 EHAARO O=C(c1c(F)cccc1Cl)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575605511 564082373 /nfs/dbraw/zinc/08/23/73/564082373.db2.gz KLFMWUZDFSFCAR-ZDUSSCGKSA-N 1 0 334.778 3.558 50 0 EHAARO CC[C@@H](C(=O)N1CCC[N@@H+](C2CCSCC2)CC1)c1ccccc1 ZINC000575615981 564083437 /nfs/dbraw/zinc/08/34/37/564083437.db2.gz KKAIPVSKYVNZBA-LJQANCHMSA-N 1 0 346.540 3.610 50 0 EHAARO C[C@H](NC(=O)NCc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000013005484 564086386 /nfs/dbraw/zinc/08/63/86/564086386.db2.gz NGBDGVDROOTNSX-PXNSSMCTSA-N 1 0 337.467 3.711 50 0 EHAARO Cc1ccccc1SCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000006432442 564086688 /nfs/dbraw/zinc/08/66/88/564086688.db2.gz QCHGIMZUFMUPSP-INIZCTEOSA-N 1 0 344.480 3.633 50 0 EHAARO CCSC1(C[NH2+][C@@H](C)c2nc3ccccc3n2C)CCOCC1 ZINC000091346137 564087528 /nfs/dbraw/zinc/08/75/28/564087528.db2.gz AEYZOKAGEYMMAH-AWEZNQCLSA-N 1 0 333.501 3.526 50 0 EHAARO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1Cl ZINC000239415191 564088114 /nfs/dbraw/zinc/08/81/14/564088114.db2.gz TZCTZRCNJIEPCK-KGLIPLIRSA-N 1 0 336.863 3.799 50 0 EHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccnc(-c3cccs3)c2)C1 ZINC000064676029 564095116 /nfs/dbraw/zinc/09/51/16/564095116.db2.gz IMISAAUZXDBFSD-OAHLLOKOSA-N 1 0 343.496 3.662 50 0 EHAARO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2)c1 ZINC000036100374 564096056 /nfs/dbraw/zinc/09/60/56/564096056.db2.gz YDRPBKQNZZSHJO-FQEVSTJZSA-N 1 0 327.468 3.893 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)CCCc1ccccc1)c1cccc(F)c1 ZINC000036397132 564100694 /nfs/dbraw/zinc/10/06/94/564100694.db2.gz URDFBTBGVOEXMJ-LJQANCHMSA-N 1 0 328.431 3.568 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccc2ccccc2c1 ZINC000006992969 564102694 /nfs/dbraw/zinc/10/26/94/564102694.db2.gz ZDTJFBLJHZNNRD-UHFFFAOYSA-N 1 0 332.447 3.760 50 0 EHAARO CCOc1cc2[nH+]ccc(NC[C@@H](O)c3ccco3)c2cc1OCC ZINC000170626119 564110486 /nfs/dbraw/zinc/11/04/86/564110486.db2.gz ZJYGOJKSVQKJLA-MRXNPFEDSA-N 1 0 342.395 3.771 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948888 564115776 /nfs/dbraw/zinc/11/57/76/564115776.db2.gz QAIKWBOVMKUEQL-WMLDXEAASA-N 1 0 340.870 3.852 50 0 EHAARO CO[C@@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)c1ccc(F)cc1 ZINC000090177140 564116407 /nfs/dbraw/zinc/11/64/07/564116407.db2.gz KKQCHEUQNCNGEK-UGSOOPFHSA-N 1 0 342.418 3.524 50 0 EHAARO CCOc1ccc(NC(=S)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000007583668 564117934 /nfs/dbraw/zinc/11/79/34/564117934.db2.gz DMQLOBFXVZXBLR-UHFFFAOYSA-N 1 0 335.517 3.636 50 0 EHAARO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000252452791 564118521 /nfs/dbraw/zinc/11/85/21/564118521.db2.gz DINOAOFUBPAGPQ-AEFFLSMTSA-N 1 0 345.464 3.528 50 0 EHAARO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000193428155 564119520 /nfs/dbraw/zinc/11/95/20/564119520.db2.gz RYUMLOXPNXUZAN-QGZVFWFLSA-N 1 0 349.482 3.974 50 0 EHAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc[nH]c2C2CC2)[C@H]1c1cccs1 ZINC000252505095 564119913 /nfs/dbraw/zinc/11/99/13/564119913.db2.gz VOHDCHOXDXSJAC-KSSFIOAISA-N 1 0 343.496 3.767 50 0 EHAARO CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)c1 ZINC000170669717 564121270 /nfs/dbraw/zinc/12/12/70/564121270.db2.gz FLINBAKRUVPXLE-JKSUJKDBSA-N 1 0 340.467 3.727 50 0 EHAARO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 ZINC000194961036 564122654 /nfs/dbraw/zinc/12/26/54/564122654.db2.gz VEXKQRSQEWGHCT-RNODOKPDSA-N 1 0 342.414 3.675 50 0 EHAARO c1c[nH]c([C@@H]([NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c2cccnc2)n1 ZINC000195126132 564122769 /nfs/dbraw/zinc/12/27/69/564122769.db2.gz SLQKEOXTHUTSDC-IHPCNDPISA-N 1 0 332.451 3.895 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000007786445 564123335 /nfs/dbraw/zinc/12/33/35/564123335.db2.gz JUZJNFGVMYZCGQ-UHFFFAOYSA-N 1 0 340.471 3.692 50 0 EHAARO C[NH2+]CCCC(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000195543267 564123680 /nfs/dbraw/zinc/12/36/80/564123680.db2.gz HGDHFRGLTCUHHH-NSHDSACASA-N 1 0 347.311 3.911 50 0 EHAARO [NH3+][C@H](CCC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195543127 564123693 /nfs/dbraw/zinc/12/36/93/564123693.db2.gz UZWIDHAZAACBHN-MOPGFXCFSA-N 1 0 326.415 3.969 50 0 EHAARO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccccc3)o2)CN1 ZINC000195556518 564123780 /nfs/dbraw/zinc/12/37/80/564123780.db2.gz KAAQNURZZMGKBH-MAUKXSAKSA-N 1 0 340.423 3.563 50 0 EHAARO COc1cccc(NC(=S)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000252680091 564124899 /nfs/dbraw/zinc/12/48/99/564124899.db2.gz VUNGYBRELNFPSO-INMHGKMJSA-N 1 0 347.528 3.729 50 0 EHAARO CC(C)[C@@H](NCc1ncc(C2CC2)o1)c1ccc2c(c1)OCCO2 ZINC000253419228 564130948 /nfs/dbraw/zinc/13/09/48/564130948.db2.gz HLAWQIRBEHZRIK-LJQANCHMSA-N 1 0 328.412 3.810 50 0 EHAARO CC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000584886489 564131494 /nfs/dbraw/zinc/13/14/94/564131494.db2.gz XMPIOKYOMVKUIM-SFHVURJKSA-N 1 0 347.478 3.764 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000078897305 564137357 /nfs/dbraw/zinc/13/73/57/564137357.db2.gz LRNPDSCZSIVMKO-JXFKEZNVSA-N 1 0 344.499 3.745 50 0 EHAARO CCc1nc2ccccc2n1C1CC[NH+](CCc2ccncc2)CC1 ZINC000093302154 564137400 /nfs/dbraw/zinc/13/74/00/564137400.db2.gz VWBJDIWLXLMBDC-UHFFFAOYSA-N 1 0 334.467 3.873 50 0 EHAARO CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1CCCO1 ZINC000079354454 564138157 /nfs/dbraw/zinc/13/81/57/564138157.db2.gz KFEMBLHQNIDWAT-GFCCVEGCSA-N 1 0 345.270 3.823 50 0 EHAARO COc1ncccc1C[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000390833496 564138780 /nfs/dbraw/zinc/13/87/80/564138780.db2.gz IHQXFPNZBPJYJQ-QZTJIDSGSA-N 1 0 330.403 3.581 50 0 EHAARO O=C(C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CCc2ccccc21 ZINC000095347355 564139170 /nfs/dbraw/zinc/13/91/70/564139170.db2.gz ZMDUEYBOMVCLND-FQEVSTJZSA-N 1 0 340.854 3.970 50 0 EHAARO c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000095394644 564139394 /nfs/dbraw/zinc/13/93/94/564139394.db2.gz VHACKJWAHRMASO-GOSISDBHSA-N 1 0 333.439 3.894 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@@H](C)c1ccccc1 ZINC000095420588 564139928 /nfs/dbraw/zinc/13/99/28/564139928.db2.gz AMWPFLOGBFBAJX-HZPDHXFCSA-N 1 0 331.481 3.513 50 0 EHAARO CCn1nc(C)c([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1C ZINC000095420990 564139994 /nfs/dbraw/zinc/13/99/94/564139994.db2.gz XKZYNQDDQNAYPW-NSHDSACASA-N 1 0 349.862 3.795 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccnc(OCC3CC3)c2)c1 ZINC000095422226 564140032 /nfs/dbraw/zinc/14/00/32/564140032.db2.gz ZZMZZIBBNDIVGF-AWEZNQCLSA-N 1 0 339.439 3.680 50 0 EHAARO CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccco3)CC2)cs1 ZINC000095422301 564140049 /nfs/dbraw/zinc/14/00/49/564140049.db2.gz GQLLHYWGXSQDBX-AWEZNQCLSA-N 1 0 333.501 3.861 50 0 EHAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095422414 564140086 /nfs/dbraw/zinc/14/00/86/564140086.db2.gz UDAOEQFULLSWJS-VXGBXAGGSA-N 1 0 342.443 3.987 50 0 EHAARO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1O ZINC000095466693 564141043 /nfs/dbraw/zinc/14/10/43/564141043.db2.gz CELKOTBIWUOQPF-HOTGVXAUSA-N 1 0 345.405 3.857 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)C1(N2CCOCC2)CCCC1 ZINC000095941420 564142044 /nfs/dbraw/zinc/14/20/44/564142044.db2.gz LXYVSSNOEAEFRV-LSDHHAIUSA-N 1 0 338.442 3.649 50 0 EHAARO O[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)c1cccnc1 ZINC000095973551 564143508 /nfs/dbraw/zinc/14/35/08/564143508.db2.gz PBOCCZSCXDBIAV-CQSZACIVSA-N 1 0 330.737 3.577 50 0 EHAARO COc1ccc([C@@H]2[C@H](CN[C@@H](C)c3ccc(F)cn3)CC[N@@H+]2C)cc1 ZINC000095983381 564143813 /nfs/dbraw/zinc/14/38/13/564143813.db2.gz UEJVSQZGWMLIJN-DKICVRJWSA-N 1 0 343.446 3.573 50 0 EHAARO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCc4nc(C)cn4C3)oc21 ZINC000095987866 564144003 /nfs/dbraw/zinc/14/40/03/564144003.db2.gz XQOOCYCCSFKVOK-DZGCQCFKSA-N 1 0 325.412 3.612 50 0 EHAARO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000095988012 564144045 /nfs/dbraw/zinc/14/40/45/564144045.db2.gz UZSGBYSFXKEYFT-QWRGUYRKSA-N 1 0 329.849 3.560 50 0 EHAARO CCN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C(C)C ZINC000095989756 564144093 /nfs/dbraw/zinc/14/40/93/564144093.db2.gz VMCSRALDQOFPIK-IBGZPJMESA-N 1 0 331.504 3.900 50 0 EHAARO FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCSC3)CCOCC2)c1 ZINC000096476688 564148458 /nfs/dbraw/zinc/14/84/58/564148458.db2.gz DWFVMBODLKMETC-HNNXBMFYSA-N 1 0 345.430 3.849 50 0 EHAARO O=c1[nH]c2ccccc2nc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000097201068 564149555 /nfs/dbraw/zinc/14/95/55/564149555.db2.gz BRJXIGQXAXIJOG-HXUWFJFHSA-N 1 0 331.419 3.575 50 0 EHAARO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028235242 564150789 /nfs/dbraw/zinc/15/07/89/564150789.db2.gz VGQRCMROXSYUNO-OXJNMPFZSA-N 1 0 338.451 3.537 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)N1CCc2sccc2C1 ZINC000055899048 564150970 /nfs/dbraw/zinc/15/09/70/564150970.db2.gz OPVXRALQUYOBDH-OAHLLOKOSA-N 1 0 346.521 3.922 50 0 EHAARO O[C@@H](C[NH2+]Cc1ccccc1)COc1ccc(Cl)cc1Cl ZINC000004302950 564161605 /nfs/dbraw/zinc/16/16/05/564161605.db2.gz XEMHKBCCOZNPBO-AWEZNQCLSA-N 1 0 326.223 3.523 50 0 EHAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000066970617 564164865 /nfs/dbraw/zinc/16/48/65/564164865.db2.gz MRAULUGRHDKEHZ-QGZVFWFLSA-N 1 0 340.467 3.691 50 0 EHAARO CCOc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000038629291 564165358 /nfs/dbraw/zinc/16/53/58/564165358.db2.gz YJGWDPULGAOWIQ-OAHLLOKOSA-N 1 0 333.457 3.571 50 0 EHAARO CN(C)c1ncc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)s1 ZINC000069132490 564168499 /nfs/dbraw/zinc/16/84/99/564168499.db2.gz KXMKMLUIZUTPEG-UHFFFAOYSA-N 1 0 340.452 3.686 50 0 EHAARO COc1ccccc1[C@@H](CC[NH2+]C1CCN(C)CC1)c1ccccc1 ZINC000009053075 564168678 /nfs/dbraw/zinc/16/86/78/564168678.db2.gz BRHFRTYUENEIQU-FQEVSTJZSA-N 1 0 338.495 3.901 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)[C@H](C)n1cccn1 ZINC000069414452 564169226 /nfs/dbraw/zinc/16/92/26/564169226.db2.gz HUALFRVBHMUZGI-IRXDYDNUSA-N 1 0 336.439 3.596 50 0 EHAARO CCOc1ccc(Cl)cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000069978402 564173086 /nfs/dbraw/zinc/17/30/86/564173086.db2.gz PHBQAZKRVZNRBX-ZDUSSCGKSA-N 1 0 339.867 3.544 50 0 EHAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCSCc1cccs1 ZINC000009503201 564173907 /nfs/dbraw/zinc/17/39/07/564173907.db2.gz JJJJNAUMDUPHOC-AWEZNQCLSA-N 1 0 334.510 3.988 50 0 EHAARO COc1ccc(C[C@H](C)[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000106136812 564177289 /nfs/dbraw/zinc/17/72/89/564177289.db2.gz JCOZZQNWKWNBJN-JKSUJKDBSA-N 1 0 343.467 3.864 50 0 EHAARO CCn1nc(C)c(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1C ZINC000020600276 1018189576 /nfs/dbraw/zinc/18/95/76/1018189576.db2.gz FYGPEHNOOPSZPG-HXUWFJFHSA-N 1 0 340.515 3.616 50 0 EHAARO COc1cccc2c1CC[C@H]([NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC000192439926 1024011082 /nfs/dbraw/zinc/01/10/82/1024011082.db2.gz BRTCVRYBCSHQGX-IBGZPJMESA-N 1 0 336.479 3.811 50 0 EHAARO CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2-c2ccco2)C1 ZINC000023232274 1029047869 /nfs/dbraw/zinc/04/78/69/1029047869.db2.gz KGHXEBIXRGVGKU-QUCCMNQESA-N 1 0 338.451 3.779 50 0 EHAARO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@H+](Cc2ccc(C)cn2)C1 ZINC000581807581 1035599630 /nfs/dbraw/zinc/59/96/30/1035599630.db2.gz OUKKNBOHBQKZST-FQEVSTJZSA-N 1 0 347.466 3.794 50 0 EHAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000581808223 1035617176 /nfs/dbraw/zinc/61/71/76/1035617176.db2.gz YILZOLNVGDQOCM-IBGZPJMESA-N 1 0 337.467 3.865 50 0 EHAARO c1ccc(-c2nc(CC[C@H]3CCC[N@@H+]3Cc3cccnc3)no2)cc1 ZINC000675019826 1039884963 /nfs/dbraw/zinc/88/49/63/1039884963.db2.gz JXJSLPYILOYEJN-GOSISDBHSA-N 1 0 334.423 3.729 50 0 EHAARO CC(C)CC[N@H+](C1CCOCC1)C1CCN(Cc2ccc[nH]2)CC1 ZINC000169752276 1040338264 /nfs/dbraw/zinc/33/82/64/1040338264.db2.gz SGABONAOVUHTBN-UHFFFAOYSA-N 1 0 333.520 3.506 50 0 EHAARO Cc1ccccc1-c1csc(NC(=O)C2CC[NH+](C3CC3)CC2)n1 ZINC000195350283 1042630753 /nfs/dbraw/zinc/63/07/53/1042630753.db2.gz NHLNXLUFUNRXIT-UHFFFAOYSA-N 1 0 341.480 3.931 50 0 EHAARO COc1ccccc1C1(C[NH2+][C@H](C)Cc2cnccn2)CCCC1 ZINC000453067765 1129146176 /nfs/dbraw/zinc/14/61/76/1129146176.db2.gz MLIVOUYHHRRFRV-MRXNPFEDSA-N 1 0 325.456 3.518 50 0 EHAARO C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1cc(F)cc(F)c1 ZINC000826560509 1131326998 /nfs/dbraw/zinc/32/69/98/1131326998.db2.gz RQKCDPPFUPDMID-CQSZACIVSA-N 1 0 336.426 3.941 50 0 EHAARO CCC(CC)(C[NH2+][C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000182753566 1125365806 /nfs/dbraw/zinc/36/58/06/1125365806.db2.gz BMSRZMDPUJWSSI-INIZCTEOSA-N 1 0 343.920 3.565 50 0 EHAARO Fc1ccc2c(c1)CCC[C@H]2Nc1ccc(N2CCOCC2)cn1 ZINC000182886654 1125387840 /nfs/dbraw/zinc/38/78/40/1125387840.db2.gz PEIPQIFPSHVLDB-GOSISDBHSA-N 1 0 327.403 3.547 50 0 EHAARO Cc1sc2ccccc2c1C[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000011945818 1129189228 /nfs/dbraw/zinc/18/92/28/1129189228.db2.gz NNSJCJBBEUGGDA-IBGZPJMESA-N 1 0 328.481 3.654 50 0 EHAARO COc1ccc(C(=O)N2CCC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)cc1 ZINC000581806701 1132368378 /nfs/dbraw/zinc/36/83/78/1132368378.db2.gz VANNTKJWDOMURL-QGZVFWFLSA-N 1 0 339.439 3.555 50 0 EHAARO COc1ccc(-c2nc3ccccc3n2C2CC[NH2+]CC2)cc1OC ZINC000036301117 1132452520 /nfs/dbraw/zinc/45/25/20/1132452520.db2.gz KUJMFUDSKURUFP-UHFFFAOYSA-N 1 0 337.423 3.645 50 0 EHAARO OCC[C@H]1C[N@H+](CCCC2CCCC2)CCN1Cc1cccs1 ZINC000200583482 1133898531 /nfs/dbraw/zinc/89/85/31/1133898531.db2.gz FNKSPMZVRZKNPM-SFHVURJKSA-N 1 0 336.545 3.587 50 0 EHAARO CC(C)(C)n1cc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cn1 ZINC000846011523 1136730633 /nfs/dbraw/zinc/73/06/33/1136730633.db2.gz ZPYMTYFDCLEUJA-LJQANCHMSA-N 1 0 347.890 3.775 50 0 EHAARO COc1ccccc1N1CCC([NH2+]Cc2ccc(SC)o2)CC1 ZINC000585118280 1137008925 /nfs/dbraw/zinc/00/89/25/1137008925.db2.gz IVNSWGWFIZFHGS-UHFFFAOYSA-N 1 0 332.469 3.769 50 0 EHAARO O=C(c1cc[nH]c1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000585127099 1137017511 /nfs/dbraw/zinc/01/75/11/1137017511.db2.gz PXJAXQJNTOXICJ-UHFFFAOYSA-N 1 0 337.467 3.533 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(N2CCCC2=O)c1 ZINC000952846938 1137482717 /nfs/dbraw/zinc/48/27/17/1137482717.db2.gz HWMKSBGTSLWMHP-OAHLLOKOSA-N 1 0 348.450 3.551 50 0 EHAARO OC1(c2cccc3cnccc32)CC[NH+](Cc2ccccc2F)CC1 ZINC000952993898 1137485010 /nfs/dbraw/zinc/48/50/10/1137485010.db2.gz LJCUPOGJCICUBA-UHFFFAOYSA-N 1 0 336.410 3.858 50 0 EHAARO O=C1CC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CCN1CC1CC1 ZINC000952968664 1137485014 /nfs/dbraw/zinc/48/50/14/1137485014.db2.gz CSTJOMOJZXVGOP-OAHLLOKOSA-N 1 0 340.389 3.586 50 0 EHAARO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000011818063 201814497 /nfs/dbraw/zinc/81/44/97/201814497.db2.gz VNXGSLNBBSUNPG-HXUWFJFHSA-N 1 0 332.463 3.686 50 0 EHAARO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)o1 ZINC000012072686 201823228 /nfs/dbraw/zinc/82/32/28/201823228.db2.gz PMZYDFPJGWMWHB-NRFANRHFSA-N 1 0 344.499 3.983 50 0 EHAARO CN(CCC[NH+]1CCCCC1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000012595439 201857194 /nfs/dbraw/zinc/85/71/94/201857194.db2.gz CUEGBZBDBFAYLB-UHFFFAOYSA-N 1 0 348.878 3.698 50 0 EHAARO COc1ccc([C@H](O)C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000066971318 215100064 /nfs/dbraw/zinc/10/00/64/215100064.db2.gz SNTVSTQZYMZVNZ-GOSISDBHSA-N 1 0 340.448 3.642 50 0 EHAARO CCN(CC)CC[NH2+][C@@H](Cc1ccccc1)c1cccc(OC)c1 ZINC000019366357 202005229 /nfs/dbraw/zinc/00/52/29/202005229.db2.gz WPFWQZMEWMXGFF-NRFANRHFSA-N 1 0 326.484 3.910 50 0 EHAARO Cc1[nH]c2ccccc2c1[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000019879417 202024861 /nfs/dbraw/zinc/02/48/61/202024861.db2.gz ZXTDMEVOZZTVJO-IBGZPJMESA-N 1 0 325.481 3.875 50 0 EHAARO CCC[C@](O)(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020444462 202041363 /nfs/dbraw/zinc/04/13/63/202041363.db2.gz HRDCJVIMZVXUNA-VXKWHMMOSA-N 1 0 339.479 3.790 50 0 EHAARO CC(C)[N@@H+]1CCN(Cc2ccc(C3CCCC3)s2)C[C@@H]1CCO ZINC000020514176 202045976 /nfs/dbraw/zinc/04/59/76/202045976.db2.gz HFVCPSQDCNZMGD-KRWDZBQOSA-N 1 0 336.545 3.683 50 0 EHAARO C[N@@H+]1CCCC[C@H]1CCn1ccc(-c2cccc(-c3ncccn3)c2)n1 ZINC000020784416 202055254 /nfs/dbraw/zinc/05/52/54/202055254.db2.gz YGSSXSCIOYLIFU-IBGZPJMESA-N 1 0 347.466 3.882 50 0 EHAARO Cc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1C ZINC000020999676 202060960 /nfs/dbraw/zinc/06/09/60/202060960.db2.gz LCLAFBRCVZLKKF-UHFFFAOYSA-N 1 0 332.451 3.620 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)c2cccc3cccnc32)[NH+](C)C)cc1 ZINC000022870686 202093430 /nfs/dbraw/zinc/09/34/30/202093430.db2.gz NWZVPIBTICKPCF-HXUWFJFHSA-N 1 0 347.462 3.830 50 0 EHAARO [NH3+]CCN[C@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000022917510 202095983 /nfs/dbraw/zinc/09/59/83/202095983.db2.gz GHMNCFVNGJNFHU-HNNXBMFYSA-N 1 0 339.664 3.740 50 0 EHAARO c1cn(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)cn1 ZINC000026309145 202141167 /nfs/dbraw/zinc/14/11/67/202141167.db2.gz NUIZLVBLCQDKPG-UHFFFAOYSA-N 1 0 343.434 3.526 50 0 EHAARO CCOc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000028293114 202168739 /nfs/dbraw/zinc/16/87/39/202168739.db2.gz RXNWUVZWNJGULK-FQEVSTJZSA-N 1 0 338.451 3.652 50 0 EHAARO COc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028292042 202169080 /nfs/dbraw/zinc/16/90/80/202169080.db2.gz PBAYZRYNJPCLGS-FQEVSTJZSA-N 1 0 338.451 3.652 50 0 EHAARO CSc1cccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)c1 ZINC000029483494 202188244 /nfs/dbraw/zinc/18/82/44/202188244.db2.gz IKBNDWXHQYUXSO-SFHVURJKSA-N 1 0 326.465 3.966 50 0 EHAARO CCc1cc2c(ncnc2NCC[N@H+](C)Cc2ccccc2)s1 ZINC000033078222 202249475 /nfs/dbraw/zinc/24/94/75/202249475.db2.gz LMOKSAVWUMFAMX-UHFFFAOYSA-N 1 0 326.469 3.798 50 0 EHAARO CC[NH+](CC)CCSc1ccc(C(=O)NCc2cccs2)cn1 ZINC000033115256 202250484 /nfs/dbraw/zinc/25/04/84/202250484.db2.gz BJKRVRBEFAMYKO-UHFFFAOYSA-N 1 0 349.525 3.507 50 0 EHAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000036096739 202314870 /nfs/dbraw/zinc/31/48/70/202314870.db2.gz FPBZYNMVFFOWEB-OAQYLSRUSA-N 1 0 327.468 3.722 50 0 EHAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000036096738 202314938 /nfs/dbraw/zinc/31/49/38/202314938.db2.gz FPBZYNMVFFOWEB-NRFANRHFSA-N 1 0 327.468 3.722 50 0 EHAARO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)o1 ZINC000036097925 202315268 /nfs/dbraw/zinc/31/52/68/202315268.db2.gz LWMIXHYUJFZVIX-LJQANCHMSA-N 1 0 349.446 3.763 50 0 EHAARO Cc1csc([C@H](C)NC(=O)c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000074564105 202373080 /nfs/dbraw/zinc/37/30/80/202373080.db2.gz AQXIMJBXMGRNPS-LBPRGKRZSA-N 1 0 343.452 3.750 50 0 EHAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1cccc2c1OCCO2 ZINC000075584100 202381937 /nfs/dbraw/zinc/38/19/37/202381937.db2.gz OWBUDVAYUWELNG-MRXNPFEDSA-N 1 0 341.455 3.577 50 0 EHAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000252428050 201184014 /nfs/dbraw/zinc/18/40/14/201184014.db2.gz OTTUUPAQKHWADJ-CIQXWFTPSA-N 1 0 345.527 3.883 50 0 EHAARO CCOc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019880272 201370093 /nfs/dbraw/zinc/37/00/93/201370093.db2.gz ZLRIKJMGXXQLFB-UHFFFAOYSA-N 1 0 349.478 3.884 50 0 biogenic EHAARO Cn1ncc2c1nc(NCc1ccccc1)nc2NCc1ccccc1 ZINC000004374942 201359990 /nfs/dbraw/zinc/35/99/90/201359990.db2.gz HLODUTUGQMIMSR-UHFFFAOYSA-N 1 0 344.422 3.588 50 0 EHAARO CCC[C@H](C)c1nnc(NC(=O)c2ccccc2C[NH+](C)C)s1 ZINC000055090411 202680259 /nfs/dbraw/zinc/68/02/59/202680259.db2.gz BBQXGTQCANTBKI-LBPRGKRZSA-N 1 0 332.473 3.756 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1OC)[NH2+]CC2 ZINC000000034563 201424782 /nfs/dbraw/zinc/42/47/82/201424782.db2.gz ZARLDHFDKDBTSW-HXUWFJFHSA-N 1 0 327.424 3.728 50 0 biogenic EHAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000023105483 212347804 /nfs/dbraw/zinc/34/78/04/212347804.db2.gz JTUHBCDHFROYCJ-MRXNPFEDSA-N 1 0 332.469 3.568 50 0 EHAARO Cc1cc(C)c(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)c(C)c1 ZINC000023128034 212352091 /nfs/dbraw/zinc/35/20/91/212352091.db2.gz WKJXGMAOEBAFPK-UHFFFAOYSA-N 1 0 340.467 3.847 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000022787548 212324608 /nfs/dbraw/zinc/32/46/08/212324608.db2.gz CNWGHHIFYUDSDT-QFIPXVFZSA-N 1 0 348.494 3.882 50 0 EHAARO COc1ccc(N(Cc2cccs2)C(=O)CC2([NH3+])CCC2)cc1 ZINC000195543062 240995884 /nfs/dbraw/zinc/99/58/84/240995884.db2.gz SZFKFFDMCZCWDY-UHFFFAOYSA-N 1 0 330.453 3.561 50 0 EHAARO CCc1nn(C)c(Cl)c1C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC000215263328 241114697 /nfs/dbraw/zinc/11/46/97/241114697.db2.gz ZSCYXZCJCPZTDA-UHFFFAOYSA-N 1 0 344.890 3.595 50 0 EHAARO CSCC[NH+]1CCN(Cc2ccc(-c3ccc(C)o3)cc2)CC1 ZINC000215278736 241116244 /nfs/dbraw/zinc/11/62/44/241116244.db2.gz FICNUOZYTNGSRR-UHFFFAOYSA-N 1 0 330.497 3.736 50 0 EHAARO Cc1nn(C)c(C)c1CN(C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000216139860 241168860 /nfs/dbraw/zinc/16/88/60/241168860.db2.gz RRDZZDRCMPOHPS-UHFFFAOYSA-N 1 0 346.544 3.716 50 0 EHAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000215469635 241129782 /nfs/dbraw/zinc/12/97/82/241129782.db2.gz QEWOFKPRIGHRIQ-INIZCTEOSA-N 1 0 325.456 3.513 50 0 EHAARO Cc1ccc2ncccc2c1C[NH+]1CCC(N2CCSCC2)CC1 ZINC000215606605 241134172 /nfs/dbraw/zinc/13/41/72/241134172.db2.gz NOXJORIMXASUHD-UHFFFAOYSA-N 1 0 341.524 3.556 50 0 EHAARO COc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000353228 201462742 /nfs/dbraw/zinc/46/27/42/201462742.db2.gz GSANOENIEMRXNW-NHCUHLMSSA-N 1 0 325.452 3.998 50 0 EHAARO Oc1cccc(C2CC[NH+](C[C@@H]3CC(c4ccccc4)=NO3)CC2)c1 ZINC000244787774 243082960 /nfs/dbraw/zinc/08/29/60/243082960.db2.gz QDNKNFSASJUKTA-FQEVSTJZSA-N 1 0 336.435 3.765 50 0 EHAARO O=C(CCCc1cn(C[NH+]2CCCC2)c2ccccc12)N1CCCC1 ZINC000020649406 212159652 /nfs/dbraw/zinc/15/96/52/212159652.db2.gz BICFPBIMGLOIMC-UHFFFAOYSA-N 1 0 339.483 3.640 50 0 EHAARO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000069435687 203000438 /nfs/dbraw/zinc/00/04/38/203000438.db2.gz OYKYQRLNLJOPLF-LJQANCHMSA-N 1 0 333.435 3.648 50 0 EHAARO CC(C)[N@@H+]1CCCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000069708820 203041294 /nfs/dbraw/zinc/04/12/94/203041294.db2.gz HGDDEPBTCSDVEV-MRXNPFEDSA-N 1 0 342.405 3.665 50 0 EHAARO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(n2ccnc2)CC1 ZINC000069738563 203043457 /nfs/dbraw/zinc/04/34/57/203043457.db2.gz INBOIUNPBGMQDD-INIZCTEOSA-N 1 0 348.450 3.700 50 0 EHAARO CC(C)(C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1)N1CCOCC1 ZINC000071415750 203095029 /nfs/dbraw/zinc/09/50/29/203095029.db2.gz LHBHCNICVWWQJC-LJQANCHMSA-N 1 0 348.506 3.581 50 0 EHAARO CCc1cnc(C)nc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000071639164 203101896 /nfs/dbraw/zinc/10/18/96/203101896.db2.gz XSEOYYFRVVEUPO-SFHVURJKSA-N 1 0 325.456 3.795 50 0 EHAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000071661685 203102057 /nfs/dbraw/zinc/10/20/57/203102057.db2.gz ZGSBXBVISGIJFK-SFHVURJKSA-N 1 0 333.435 3.700 50 0 EHAARO CCCOCC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071760316 203109523 /nfs/dbraw/zinc/10/95/23/203109523.db2.gz FIQHFQIEEPQDCD-FQEVSTJZSA-N 1 0 336.495 3.785 50 0 EHAARO C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000071799276 203115223 /nfs/dbraw/zinc/11/52/23/203115223.db2.gz INSZUGQZZQQQHM-HZPDHXFCSA-N 1 0 332.492 3.596 50 0 EHAARO O=C(c1cccnc1)N1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000071841965 203127385 /nfs/dbraw/zinc/12/73/85/203127385.db2.gz BCJPZORMCVCYAD-NRFANRHFSA-N 1 0 349.478 3.598 50 0 EHAARO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)c(C)c1=O ZINC000072133137 203167247 /nfs/dbraw/zinc/16/72/47/203167247.db2.gz IMWNXIGWFIIVNQ-SFHVURJKSA-N 1 0 342.458 3.976 50 0 EHAARO Cc1cccc(CN2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000072138935 203167850 /nfs/dbraw/zinc/16/78/50/203167850.db2.gz WJMINGBMTAJGLI-UHFFFAOYSA-N 1 0 331.463 3.861 50 0 EHAARO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc2nccnc12 ZINC000072143445 203169348 /nfs/dbraw/zinc/16/93/48/203169348.db2.gz FNOSVKFGJCBHOY-UHFFFAOYSA-N 1 0 347.397 3.587 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccccc3C)C2)cc1=O ZINC000072161302 203176463 /nfs/dbraw/zinc/17/64/63/203176463.db2.gz WVMBKBAYWVZBDL-QGZVFWFLSA-N 1 0 340.467 3.949 50 0 EHAARO C=Cc1ccc(N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc1 ZINC000072167248 203179196 /nfs/dbraw/zinc/17/91/96/203179196.db2.gz UXCNSKDIUYWDKD-CEMLEFRQSA-N 1 0 331.463 3.791 50 0 EHAARO CCn1ncc(C[N@@H+]2CCC[C@@H](COc3ccc(OC)cc3)C2)c1C ZINC000072169739 203181269 /nfs/dbraw/zinc/18/12/69/203181269.db2.gz BXLALFKQVZRXCY-QGZVFWFLSA-N 1 0 343.471 3.511 50 0 EHAARO C[N@@H+](Cc1cnc(-c2ccco2)nc1)Cc1cccc(-n2cccn2)c1 ZINC000072458772 203227570 /nfs/dbraw/zinc/22/75/70/203227570.db2.gz ZHAHNJDHGHHCJQ-UHFFFAOYSA-N 1 0 345.406 3.554 50 0 EHAARO CC(C)(C)c1cc(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)[nH]n1 ZINC000072477451 203232029 /nfs/dbraw/zinc/23/20/29/203232029.db2.gz HZNWCYPVPRLECV-UHFFFAOYSA-N 1 0 344.478 3.554 50 0 EHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000075094180 203299964 /nfs/dbraw/zinc/29/99/64/203299964.db2.gz MNPAUIWVVPKAOQ-WCQYABFASA-N 1 0 327.831 3.816 50 0 EHAARO CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CC[NH2+]CC1 ZINC000077010796 203370148 /nfs/dbraw/zinc/37/01/48/203370148.db2.gz VORHVGLCULQNOF-UHFFFAOYSA-N 1 0 342.508 3.852 50 0 EHAARO Cc1cc(C)n2c(C[NH+]3CCC(OCC4CCCC4)CC3)cnc2n1 ZINC000093818320 203453023 /nfs/dbraw/zinc/45/30/23/203453023.db2.gz MRYAJOMZJXIUCG-UHFFFAOYSA-N 1 0 342.487 3.517 50 0 EHAARO C[C@@H](CCc1ccccc1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082137578 203498679 /nfs/dbraw/zinc/49/86/79/203498679.db2.gz XSCGFJYGFKKPLN-KRWDZBQOSA-N 1 0 349.478 3.907 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CCOCC1 ZINC000089894398 203600031 /nfs/dbraw/zinc/60/00/31/203600031.db2.gz APSAJQKDZVUVCL-INIZCTEOSA-N 1 0 326.440 3.565 50 0 EHAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000089949019 203606729 /nfs/dbraw/zinc/60/67/29/203606729.db2.gz VVNGPNRCPFAMIP-WIYYLYMNSA-N 1 0 344.499 3.745 50 0 EHAARO C[NH+](C)C1CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000096012925 203797512 /nfs/dbraw/zinc/79/75/12/203797512.db2.gz CSLXKGHTLCTCMR-UHFFFAOYSA-N 1 0 337.439 3.614 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@@H](C)C[C@H](O)c3ccccc3)CC2)n1 ZINC000095978059 203782081 /nfs/dbraw/zinc/78/20/81/203782081.db2.gz NPIMJQACTMELJZ-KSSFIOAISA-N 1 0 345.512 3.522 50 0 EHAARO CCOc1ccc(/C=C\C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000096130228 203840080 /nfs/dbraw/zinc/84/00/80/203840080.db2.gz KVBDFLXTTRVWOA-FLIBITNWSA-N 1 0 342.483 3.575 50 0 EHAARO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000108459582 204261932 /nfs/dbraw/zinc/26/19/32/204261932.db2.gz CZVJSCKEANEKML-ABSDTBQOSA-N 1 0 343.540 3.822 50 0 EHAARO Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(-n3ccnc3)nc2)cc1 ZINC000128970351 205171812 /nfs/dbraw/zinc/17/18/12/205171812.db2.gz CRGPZTNFPXCHBH-IBGZPJMESA-N 1 0 346.434 3.943 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000129372723 205192729 /nfs/dbraw/zinc/19/27/29/205192729.db2.gz LZTPYZUNFXVPAW-GJZGRUSLSA-N 1 0 338.377 3.786 50 0 EHAARO O=C1CCCCN1CCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095421281 218363511 /nfs/dbraw/zinc/36/35/11/218363511.db2.gz YNFKZBGXVYLMPA-SFHVURJKSA-N 1 0 342.483 3.815 50 0 EHAARO CCC(CC)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013016903 207273691 /nfs/dbraw/zinc/27/36/91/207273691.db2.gz NLWIHDNHBMRAAI-UHFFFAOYSA-N 1 0 337.895 3.792 50 0 EHAARO C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000096493489 218870855 /nfs/dbraw/zinc/87/08/55/218870855.db2.gz VRTJDYPFUJYNQA-NSHDSACASA-N 1 0 341.860 3.562 50 0 EHAARO CCSc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000097379634 219020149 /nfs/dbraw/zinc/02/01/49/219020149.db2.gz QPVCYOMGNKDAEG-LBPRGKRZSA-N 1 0 341.908 3.867 50 0 EHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3[nH]c4ccc(F)cc4c3C)[C@H]2C1 ZINC000299786584 258093828 /nfs/dbraw/zinc/09/38/28/258093828.db2.gz VUAHUUYVLSIKEE-UIAACRFSSA-N 1 0 346.446 3.774 50 0 EHAARO CCCc1nc2cccnc2n1C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000299793220 258098838 /nfs/dbraw/zinc/09/88/38/258098838.db2.gz HGXWDVHQEGCAIV-HNNXBMFYSA-N 1 0 330.501 3.526 50 0 EHAARO OCCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1 ZINC000215986598 258072134 /nfs/dbraw/zinc/07/21/34/258072134.db2.gz SSMSSYDSQBAULI-MRXNPFEDSA-N 1 0 331.843 3.701 50 0 EHAARO COc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2C)c(C(C)(C)C)c1 ZINC000241946712 524973696 /nfs/dbraw/zinc/97/36/96/524973696.db2.gz UNIOPIHHZCUNIF-HZPDHXFCSA-N 1 0 335.488 3.607 50 0 EHAARO C[C@@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000014669 563211455 /nfs/dbraw/zinc/21/14/55/563211455.db2.gz UYNVMODNBIQBMV-KKSFZXQISA-N 1 0 325.452 3.769 50 0 world EHAARO O=C(CC[NH+]1CCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000073773 563216082 /nfs/dbraw/zinc/21/60/82/563216082.db2.gz STYLMEWOWLGMQB-UHFFFAOYSA-N 1 0 335.860 3.888 50 0 EHAARO COc1ccc(CC[N@H+](C)[C@H](C)Cc2ccc(F)cc2)cc1OC ZINC000000212185 563261085 /nfs/dbraw/zinc/26/10/85/563261085.db2.gz CQWXATHCZOZKTC-OAHLLOKOSA-N 1 0 331.431 3.948 50 0 EHAARO COc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccc(Cl)cc1 ZINC000000359885 563292942 /nfs/dbraw/zinc/29/29/42/563292942.db2.gz YHLKTTZKCGFPFB-UHFFFAOYSA-N 1 0 349.858 3.788 50 0 EHAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)COc1ccc(Cl)cc1 ZINC000002180650 563425458 /nfs/dbraw/zinc/42/54/58/563425458.db2.gz YVMDZKMRJDHKOM-HNNXBMFYSA-N 1 0 347.842 3.783 50 0 EHAARO O=C(c1ccccc1C[NH+]1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000002515758 563437134 /nfs/dbraw/zinc/43/71/34/563437134.db2.gz YVEBVPQFCZONAL-UHFFFAOYSA-N 1 0 343.467 3.789 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@H+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004744298 563509973 /nfs/dbraw/zinc/50/99/73/563509973.db2.gz FNBMJZIPZAPMMH-GASCZTMLSA-N 1 0 334.891 3.923 50 0 EHAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000004743699 563510020 /nfs/dbraw/zinc/51/00/20/563510020.db2.gz FEJOULHSKJVETA-GFCCVEGCSA-N 1 0 325.250 3.510 50 0 EHAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCc3ccccc3)c12 ZINC000005346065 563527671 /nfs/dbraw/zinc/52/76/71/563527671.db2.gz DXUFEOUMAASFLB-UHFFFAOYSA-N 1 0 337.471 3.612 50 0 EHAARO O=C(NCCC[NH2+]C1CCCCC1)c1cc2ccccc2cc1O ZINC000005669880 563544447 /nfs/dbraw/zinc/54/44/47/563544447.db2.gz NXQFGZNDDKXSAJ-UHFFFAOYSA-N 1 0 326.440 3.588 50 0 EHAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)c1 ZINC000011844474 563651834 /nfs/dbraw/zinc/65/18/34/563651834.db2.gz FTGBRKBEXANCDO-GOSISDBHSA-N 1 0 342.483 3.504 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000011934532 563652172 /nfs/dbraw/zinc/65/21/72/563652172.db2.gz DPPUMZOMZBRZKH-HXUWFJFHSA-N 1 0 343.515 3.602 50 0 EHAARO CCCn1ncc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)c1C ZINC000012372840 563658798 /nfs/dbraw/zinc/65/87/98/563658798.db2.gz UCXHGEYWUNHKDM-IBGZPJMESA-N 1 0 330.451 3.817 50 0 EHAARO CC(C)(C)c1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc(C(C)(C)C)c1O ZINC000012381547 563659455 /nfs/dbraw/zinc/65/94/55/563659455.db2.gz XLZSSFDIZGUVAB-HNNXBMFYSA-N 1 0 346.515 3.685 50 0 EHAARO O=C(NC[C@H]1CCCC[NH2+]1)OCC1c2ccccc2-c2ccccc21 ZINC000012649500 563666807 /nfs/dbraw/zinc/66/68/07/563666807.db2.gz FJMWJNIFDZWLIV-OAHLLOKOSA-N 1 0 336.435 3.667 50 0 EHAARO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3cccs3)nc21 ZINC000004359216 563668287 /nfs/dbraw/zinc/66/82/87/563668287.db2.gz XPYDNQCDGFKGLU-UHFFFAOYSA-N 1 0 345.493 3.875 50 0 EHAARO Cc1[nH]c2ccc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc2c1C ZINC000032781268 563733621 /nfs/dbraw/zinc/73/36/21/563733621.db2.gz WSVBRIYEZYRFFQ-HXUWFJFHSA-N 1 0 335.451 3.817 50 0 EHAARO CC(C)[C@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000014670915 563762727 /nfs/dbraw/zinc/76/27/27/563762727.db2.gz DJEJBSFPKGTCAQ-FQEVSTJZSA-N 1 0 346.421 3.610 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC)c2)N3)C1 ZINC000004556158 563779196 /nfs/dbraw/zinc/77/91/96/563779196.db2.gz ZOQNUXFLROJACB-MRXNPFEDSA-N 1 0 343.452 3.564 50 0 EHAARO C[N@H+](CC(=O)N1CCc2ccccc2C1)[C@@H]1CCCc2ccccc21 ZINC000016342732 563808828 /nfs/dbraw/zinc/80/88/28/563808828.db2.gz SKNNPNCIXNDKME-OAQYLSRUSA-N 1 0 334.463 3.581 50 0 EHAARO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000016599267 563815816 /nfs/dbraw/zinc/81/58/16/563815816.db2.gz BKYXJBWNKYXKCG-GOSISDBHSA-N 1 0 349.434 3.683 50 0 EHAARO CC(C)[NH+]1CCC(NC(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000017072015 563835271 /nfs/dbraw/zinc/83/52/71/563835271.db2.gz URSMYOQCDZPDMW-UHFFFAOYSA-N 1 0 345.434 3.865 50 0 EHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@H]2CC=CCC2)CC1 ZINC000023228420 563866173 /nfs/dbraw/zinc/86/61/73/563866173.db2.gz USQNHOOYSWQEAH-HNNXBMFYSA-N 1 0 347.890 3.777 50 0 EHAARO C[C@@H](CO)C[N@H+](Cc1ccccc1)Cc1ccccc1Cn1cccn1 ZINC000055053647 563933497 /nfs/dbraw/zinc/93/34/97/563933497.db2.gz CWRIIBHWHFYTQE-LJQANCHMSA-N 1 0 349.478 3.562 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C ZINC000055089122 563933572 /nfs/dbraw/zinc/93/35/72/563933572.db2.gz CBOWWXYIRHBPRJ-SFHVURJKSA-N 1 0 329.488 3.789 50 0 EHAARO CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2C[NH+](C)C)s1 ZINC000055090408 563933579 /nfs/dbraw/zinc/93/35/79/563933579.db2.gz BBQXGTQCANTBKI-GFCCVEGCSA-N 1 0 332.473 3.756 50 0 EHAARO COCC[N@H+](Cc1cccn1-c1ccccn1)Cc1sccc1C ZINC000055119723 563933774 /nfs/dbraw/zinc/93/37/74/563933774.db2.gz RVRRCUCOHOPYFA-UHFFFAOYSA-N 1 0 341.480 3.891 50 0 EHAARO CN(C)C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000055119003 563933778 /nfs/dbraw/zinc/93/37/78/563933778.db2.gz IRAUJYHZJCZBIE-IBGZPJMESA-N 1 0 338.430 3.608 50 0 EHAARO CC(C)Cc1cn(C2CC[NH+](C[C@@H](C)c3ccccc3)CC2)nn1 ZINC000055108866 563933812 /nfs/dbraw/zinc/93/38/12/563933812.db2.gz GHQNSLKQWNGPEU-QGZVFWFLSA-N 1 0 326.488 3.917 50 0 EHAARO CCCCOc1c(C[N@@H+]2CCC[C@H]2Cn2cccn2)cccc1OC ZINC000055383921 563934573 /nfs/dbraw/zinc/93/45/73/563934573.db2.gz SOWPYXGJAVWLKL-SFHVURJKSA-N 1 0 343.471 3.735 50 0 EHAARO CCC(CC)n1ncc(C)c1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000055386746 563934610 /nfs/dbraw/zinc/93/46/10/563934610.db2.gz RULLPXYDTRSYEU-UHFFFAOYSA-N 1 0 344.459 3.994 50 0 EHAARO COc1ccc(OC)c2c1C[N@@H+]([C@@H]1CCCc3ccccc31)C[C@H]2O ZINC000058009133 563936568 /nfs/dbraw/zinc/93/65/68/563936568.db2.gz LTTAMEKSNPHXFV-QZTJIDSGSA-N 1 0 339.435 3.630 50 0 EHAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000058306784 563942210 /nfs/dbraw/zinc/94/22/10/563942210.db2.gz YCBDQTUOXJIEPL-MRXNPFEDSA-N 1 0 326.440 3.939 50 0 EHAARO Cc1ccc2oc(C(=O)NCCCC[NH+]3CCC(C)CC3)cc2c1 ZINC000058406525 563945046 /nfs/dbraw/zinc/94/50/46/563945046.db2.gz KWTZTVNTGMRJLE-UHFFFAOYSA-N 1 0 328.456 3.983 50 0 EHAARO COCc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000058406954 563945120 /nfs/dbraw/zinc/94/51/20/563945120.db2.gz DPBRDTHBVRQEKG-LJQANCHMSA-N 1 0 341.455 3.566 50 0 EHAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cn1 ZINC000058423271 563945846 /nfs/dbraw/zinc/94/58/46/563945846.db2.gz GWAZXQIXYJGIHD-UHFFFAOYSA-N 1 0 337.467 3.696 50 0 EHAARO C[C@H](c1ccc(-c2ccc3c(c2)OCCC3=O)cc1)[NH+]1CCOCC1 ZINC000065383866 563959160 /nfs/dbraw/zinc/95/91/60/563959160.db2.gz FGMKIFUSTGOTJC-OAHLLOKOSA-N 1 0 337.419 3.712 50 0 EHAARO c1nn2cccnc2c1C[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)CC1 ZINC000065406432 563960237 /nfs/dbraw/zinc/96/02/37/563960237.db2.gz ZXMSONIUYVJXKE-NRFANRHFSA-N 1 0 346.434 3.560 50 0 EHAARO CCCc1nccn1Cc1nc(-c2cc(OC)ccc2OC)oc1C ZINC000067541297 563962314 /nfs/dbraw/zinc/96/23/14/563962314.db2.gz UDJJSLLDAOPOSH-UHFFFAOYSA-N 1 0 341.411 3.865 50 0 EHAARO c1ccc2c(c1)cccc2-c1n[nH]c2c1C[N@H+](C[C@H]1CCCO1)CC2 ZINC000067757424 563962675 /nfs/dbraw/zinc/96/26/75/563962675.db2.gz HRSSFVSRKUURKA-MRXNPFEDSA-N 1 0 333.435 3.767 50 0 EHAARO C[C@@H](O)C[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067872676 563962964 /nfs/dbraw/zinc/96/29/64/563962964.db2.gz FKRSIJKMIDVRIN-OAHLLOKOSA-N 1 0 334.419 3.748 50 0 EHAARO Cc1ccc2cc(C[N@@H+](C)[C@H](C)Cc3ncccc3C)c(=O)[nH]c2c1 ZINC000067872483 563962984 /nfs/dbraw/zinc/96/29/84/563962984.db2.gz RKZOOZJFALFXMM-MRXNPFEDSA-N 1 0 335.451 3.603 50 0 EHAARO CC[NH+](CC)Cc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000067894261 563963044 /nfs/dbraw/zinc/96/30/44/563963044.db2.gz QLSLBUFUAAUDIN-UHFFFAOYSA-N 1 0 340.423 3.552 50 0 EHAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc(F)c(CO)c1 ZINC000067974271 563963137 /nfs/dbraw/zinc/96/31/37/563963137.db2.gz HKOIEBMVNAXADT-UHFFFAOYSA-N 1 0 331.387 3.715 50 0 EHAARO C[C@@H](Nc1ncnc2c1CC[NH2+]C2)c1ccc(-c2ccccc2)cc1 ZINC000067981866 563963176 /nfs/dbraw/zinc/96/31/76/563963176.db2.gz JVNNIIFICFFELG-OAHLLOKOSA-N 1 0 330.435 3.962 50 0 EHAARO CC(C)[C@H](NC(=O)c1ccccc1C(F)(F)F)C1=CCC[N@H+](C)C1 ZINC000067982336 563963219 /nfs/dbraw/zinc/96/32/19/563963219.db2.gz MERJUVWUCFNEJW-INIZCTEOSA-N 1 0 340.389 3.722 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCCOc2cccc(Cl)c2)CC1 ZINC000006703833 563964487 /nfs/dbraw/zinc/96/44/87/563964487.db2.gz GREMGESCLJMMPS-UHFFFAOYSA-N 1 0 339.863 3.774 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@H]2CC(C)(C)Cc3occc32)cn1 ZINC000097016571 563966727 /nfs/dbraw/zinc/96/67/27/563966727.db2.gz LYJWRYQXSKAKNO-KRWDZBQOSA-N 1 0 336.439 3.972 50 0 EHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000097016457 563966740 /nfs/dbraw/zinc/96/67/40/563966740.db2.gz NWHJVWUHRXUOCN-CQSZACIVSA-N 1 0 349.482 3.806 50 0 EHAARO COc1ccccc1COC1CC[NH+](Cc2cccnc2C)CC1 ZINC000097051530 563967115 /nfs/dbraw/zinc/96/71/15/563967115.db2.gz HUKMTDIXRCIDFM-UHFFFAOYSA-N 1 0 326.440 3.580 50 0 EHAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000077564673 563970369 /nfs/dbraw/zinc/97/03/69/563970369.db2.gz RKKISUCEICCNHE-KRWDZBQOSA-N 1 0 335.455 3.742 50 0 EHAARO Cc1nnc(CCC[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)o1 ZINC000097230588 563970700 /nfs/dbraw/zinc/97/07/00/563970700.db2.gz FKEVKDSHHFWZLN-CYBMUJFWSA-N 1 0 337.826 3.810 50 0 EHAARO O=C1CC[C@]2(CCC[N@@H+](C3CCCC3)C2)CN1CCc1ccccc1 ZINC000082087051 563972052 /nfs/dbraw/zinc/97/20/52/563972052.db2.gz UTFSUKONGYKOPB-QFIPXVFZSA-N 1 0 340.511 3.876 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3Cc4ccccc4C3)cc2c1C ZINC000060656518 563973047 /nfs/dbraw/zinc/97/30/47/563973047.db2.gz POMSMEQOYJEEMS-UHFFFAOYSA-N 1 0 347.462 3.920 50 0 EHAARO CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000585150065 563974196 /nfs/dbraw/zinc/97/41/96/563974196.db2.gz REIUHBOMAJADSF-INIZCTEOSA-N 1 0 345.468 3.543 50 0 EHAARO c1ccc([C@H](CNc2nnc(C3CC3)o2)[NH+]2CCCCCC2)cc1 ZINC000091289078 563975183 /nfs/dbraw/zinc/97/51/83/563975183.db2.gz JEWBQSHWJSXPSG-KRWDZBQOSA-N 1 0 326.444 3.976 50 0 EHAARO Cc1cccnc1C[NH+]1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091444878 563975403 /nfs/dbraw/zinc/97/54/03/563975403.db2.gz HEGUCLCLXKTXIW-UHFFFAOYSA-N 1 0 341.499 3.537 50 0 EHAARO C[N@@H+]1CCC[C@H](CCc2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000091444476 563975424 /nfs/dbraw/zinc/97/54/24/563975424.db2.gz HPQFGDWSUMWUGK-CYBMUJFWSA-N 1 0 338.377 3.561 50 0 EHAARO COC[C@@H](C)C1CC[NH+](Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 ZINC000091645490 563975581 /nfs/dbraw/zinc/97/55/81/563975581.db2.gz YFECFYIBVXTAQJ-CYBMUJFWSA-N 1 0 332.419 3.574 50 0 EHAARO Cc1cc(N[C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)nc(N)[nH+]1 ZINC000091817739 563975801 /nfs/dbraw/zinc/97/58/01/563975801.db2.gz ZNDSYOAOEYIDDV-CYBMUJFWSA-N 1 0 340.475 3.580 50 0 EHAARO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091848227 563975817 /nfs/dbraw/zinc/97/58/17/563975817.db2.gz CCBSGZKALPKOJC-IBGZPJMESA-N 1 0 347.528 3.599 50 0 EHAARO OCc1cccc(C[C@@H]2CC[N@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000091951461 563975926 /nfs/dbraw/zinc/97/59/26/563975926.db2.gz QDDWFFUGTRTSON-KRWDZBQOSA-N 1 0 347.405 3.845 50 0 EHAARO Cc1noc(Cl)c1CCC(=O)Nc1cnccc1OC(C)(C)C ZINC000132270229 563976159 /nfs/dbraw/zinc/97/61/59/563976159.db2.gz UPURRNZJGOUZMQ-UHFFFAOYSA-N 1 0 337.807 3.780 50 0 EHAARO CCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095361581 563976815 /nfs/dbraw/zinc/97/68/15/563976815.db2.gz QCDRCEZGCXKSFM-SFHVURJKSA-N 1 0 326.484 3.657 50 0 EHAARO CC[NH+]1CCC(CC(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000095373322 563976848 /nfs/dbraw/zinc/97/68/48/563976848.db2.gz ARMFLQJBYBAQMD-HXUWFJFHSA-N 1 0 326.440 3.607 50 0 EHAARO COc1cccc(-c2cccc(NC(=O)N(C)[C@H]3CC[N@H+](C)C3)c2)c1 ZINC000095516509 563977300 /nfs/dbraw/zinc/97/73/00/563977300.db2.gz SGIXMXHXJBMHPH-SFHVURJKSA-N 1 0 339.439 3.530 50 0 EHAARO Cc1nccc(C2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)n1 ZINC000095522508 563977399 /nfs/dbraw/zinc/97/73/99/563977399.db2.gz HLRQSTLCLRIVRU-QGZVFWFLSA-N 1 0 337.467 3.606 50 0 EHAARO COC(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095527449 563977522 /nfs/dbraw/zinc/97/75/22/563977522.db2.gz XBONGDYOTLZCNP-GOSISDBHSA-N 1 0 345.487 3.695 50 0 EHAARO O=C1OCC2(CC[NH+](Cc3ccccc3OC3CCCC3)CC2)O1 ZINC000097766538 563981878 /nfs/dbraw/zinc/98/18/78/563981878.db2.gz WNFHXLUIGWTSFT-UHFFFAOYSA-N 1 0 331.412 3.509 50 0 EHAARO CO[C@@](C)(C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1ccccc1F ZINC000408521325 563993193 /nfs/dbraw/zinc/99/31/93/563993193.db2.gz PLHITKZOAAGRSE-LJQANCHMSA-N 1 0 348.393 3.527 50 0 EHAARO CCOc1ccccc1-c1ccc2c(c1)OC[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000426602368 563996362 /nfs/dbraw/zinc/99/63/62/563996362.db2.gz FZLCEYDUJOLJGU-WIYYLYMNSA-N 1 0 339.435 3.643 50 0 EHAARO CCc1cccc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c1 ZINC000252537768 563997905 /nfs/dbraw/zinc/99/79/05/563997905.db2.gz MHDWRPKVOJFGPP-UHFFFAOYSA-N 1 0 340.467 3.853 50 0 EHAARO COc1cc(C[NH2+]Cc2ccc(SC)cc2)cc(OC)c1OC ZINC000000172205 564012128 /nfs/dbraw/zinc/01/21/28/564012128.db2.gz IZTZTRUHYZXVKF-UHFFFAOYSA-N 1 0 333.453 3.724 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000005704785 564019591 /nfs/dbraw/zinc/01/95/91/564019591.db2.gz WLSMWKLFYBXUMP-IBGZPJMESA-N 1 0 334.419 4.000 50 0 EHAARO CC[C@@H]1c2ccsc2CCN1CC(=O)N[C@H](C)c1ccccc1 ZINC000103936442 564023364 /nfs/dbraw/zinc/02/33/64/564023364.db2.gz JOWLYUCBGVOSBK-RHSMWYFYSA-N 1 0 328.481 3.935 50 0 EHAARO Cc1nc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cs1 ZINC000046837573 564025418 /nfs/dbraw/zinc/02/54/18/564025418.db2.gz URBFERDZNBXVEE-GOSISDBHSA-N 1 0 338.480 3.864 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000044670938 564027086 /nfs/dbraw/zinc/02/70/86/564027086.db2.gz YVKGWKXCSVVXNY-NSHDSACASA-N 1 0 340.851 3.908 50 0 EHAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3ccc(C)cc3n2)CC(C)C)cc1 ZINC000045974083 564029035 /nfs/dbraw/zinc/02/90/35/564029035.db2.gz YPDVNKIXFRXYGY-UHFFFAOYSA-N 1 0 349.478 3.970 50 0 EHAARO Cc1ccc(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cn1 ZINC000047825744 564029710 /nfs/dbraw/zinc/02/97/10/564029710.db2.gz QHPVLIGMQGYFJK-UHFFFAOYSA-N 1 0 346.356 3.884 50 0 EHAARO CCN1C[C@@H](C[N@H+](C)Cc2cccc3cccnc32)Oc2ccccc21 ZINC000048333864 564031126 /nfs/dbraw/zinc/03/11/26/564031126.db2.gz IQCBHMDUPPBFLW-LJQANCHMSA-N 1 0 347.462 3.954 50 0 EHAARO CCCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCCCC23CC3)n1 ZINC000048393845 564031742 /nfs/dbraw/zinc/03/17/42/564031742.db2.gz SPQOINLJQVANSS-UHFFFAOYSA-N 1 0 337.467 3.908 50 0 EHAARO CC[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1OCC(=O)NC ZINC000048749862 564032229 /nfs/dbraw/zinc/03/22/29/564032229.db2.gz BEMDHMKSVRGPQS-QGZVFWFLSA-N 1 0 346.858 3.706 50 0 EHAARO COc1cccc(-c2c[nH+]c(NCc3ccc(F)cc3F)n2C)c1 ZINC000000819152 564035229 /nfs/dbraw/zinc/03/52/29/564035229.db2.gz XTXQVZQNZGHXOQ-UHFFFAOYSA-N 1 0 329.350 3.986 50 0 EHAARO O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000219909344 564035592 /nfs/dbraw/zinc/03/55/92/564035592.db2.gz BDPLFPLCUWJOPA-OAQYLSRUSA-N 1 0 338.426 3.708 50 0 EHAARO Cc1ccc2[nH]c(C[NH2+][C@H]3CCN(c4ncccc4F)C3)cc2c1C ZINC000225386031 564046299 /nfs/dbraw/zinc/04/62/99/564046299.db2.gz QQAGDBYZCNHJKV-HNNXBMFYSA-N 1 0 338.430 3.687 50 0 EHAARO C[S@](=O)CC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000225395296 564046405 /nfs/dbraw/zinc/04/64/05/564046405.db2.gz JZUIFAAMQHMWMD-FQEVSTJZSA-N 1 0 332.252 3.722 50 0 EHAARO FC(F)Cn1ncnc1C[N@@H+]1CCCCC[C@@H]1C1CCCCC1 ZINC000225614329 564048427 /nfs/dbraw/zinc/04/84/27/564048427.db2.gz QOZAXFBWUFVYOX-OAHLLOKOSA-N 1 0 326.435 3.868 50 0 EHAARO Cc1sc([C@@H](C)NC(=O)[C@H]2CC[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000237439832 564051460 /nfs/dbraw/zinc/05/14/60/564051460.db2.gz TUKPBMQADGCXOI-MFKMUULPSA-N 1 0 349.887 3.559 50 0 EHAARO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000240551708 564051795 /nfs/dbraw/zinc/05/17/95/564051795.db2.gz GVMGBYIZLTYKPN-YLJYHZDGSA-N 1 0 340.467 3.644 50 0 EHAARO COc1cccc(C[N@H+](Cc2cnn(C)c2C)C2CCCC2)c1OC ZINC000244866630 564052352 /nfs/dbraw/zinc/05/23/52/564052352.db2.gz VZLBBPLMUOYOBG-UHFFFAOYSA-N 1 0 343.471 3.691 50 0 EHAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@@H](C)CCc2ccccc2)cn1 ZINC000083843419 564063716 /nfs/dbraw/zinc/06/37/16/564063716.db2.gz VJWFWOBUIZBDLG-ILZDJORESA-N 1 0 327.472 3.592 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000084736350 564069940 /nfs/dbraw/zinc/06/99/40/564069940.db2.gz RFTVJQRNFQUCJX-XLIONFOSSA-N 1 0 339.483 3.608 50 0 EHAARO Cc1nn2c(nc(NCC(C)(C)C[NH+](C)C)c3ccccc32)c1Cl ZINC000012786492 564070336 /nfs/dbraw/zinc/07/03/36/564070336.db2.gz AKJFDTXEQDZIHY-UHFFFAOYSA-N 1 0 345.878 3.844 50 0 EHAARO CC[C@H](C)c1ccc(NC(=O)[C@H](C)NCC(C)(C)C[NH+](C)C)cc1 ZINC000006085823 564073765 /nfs/dbraw/zinc/07/37/65/564073765.db2.gz SACHYHKHZUGKQY-HOTGVXAUSA-N 1 0 333.520 3.705 50 0 EHAARO COc1cc(CN(C)Cc2nc(C)cs2)c(SC)cc1OC ZINC000088601540 564079621 /nfs/dbraw/zinc/07/96/21/564079621.db2.gz BXMMFLLQMJBMDP-UHFFFAOYSA-N 1 0 338.498 3.823 50 0 EHAARO COc1ccc([C@@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C2CC2)cc1 ZINC000075104003 564080027 /nfs/dbraw/zinc/08/00/27/564080027.db2.gz CHMMINRBBGWTPN-WMZHIEFXSA-N 1 0 329.465 3.674 50 0 EHAARO COc1ccc2c(c1)SCc1ccccc1[C@@]2(O)CCC[NH+](C)C ZINC000075278752 564081404 /nfs/dbraw/zinc/08/14/04/564081404.db2.gz JDNCFTMZFKYBBK-FQEVSTJZSA-N 1 0 343.492 3.879 50 0 EHAARO CCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000001641305 564081974 /nfs/dbraw/zinc/08/19/74/564081974.db2.gz ULPCGNPWQLTAHI-LJQANCHMSA-N 1 0 344.499 3.956 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1cccs1)c1cc2ccccc2o1 ZINC000575620317 564083842 /nfs/dbraw/zinc/08/38/42/564083842.db2.gz JKXSKQWBGJGSEE-ZNFPLGDCSA-N 1 0 340.448 3.927 50 0 EHAARO Cc1ncc([C@@H](C)NCc2cc3c(cc2OC(F)F)OCO3)s1 ZINC000090419274 564084392 /nfs/dbraw/zinc/08/43/92/564084392.db2.gz HBPPSYNDLUWLES-MRVPVSSYSA-N 1 0 342.367 3.632 50 0 EHAARO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc2c(c1)CCO2 ZINC000090540617 564084636 /nfs/dbraw/zinc/08/46/36/564084636.db2.gz MHZOMMFLBKHVNY-JENIJYKNSA-N 1 0 333.497 3.717 50 0 EHAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCO[C@]3(CCSC3)C1)CCC2 ZINC000090543542 564084645 /nfs/dbraw/zinc/08/46/45/564084645.db2.gz JYKOGVDIACCCQT-PBFPGSCMSA-N 1 0 338.542 3.727 50 0 EHAARO O=C1CCCN1CCC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000064140324 564085279 /nfs/dbraw/zinc/08/52/79/564085279.db2.gz GZLSGVZFIBTETK-NRFANRHFSA-N 1 0 334.463 3.647 50 0 EHAARO C[C@@H](Cc1ccsc1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000090667680 564085844 /nfs/dbraw/zinc/08/58/44/564085844.db2.gz CQIMUYSRYCMGAF-HOTGVXAUSA-N 1 0 329.513 3.889 50 0 EHAARO CC[NH+]1CCC(N(C)c2ncnc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000013008283 564086498 /nfs/dbraw/zinc/08/64/98/564086498.db2.gz FTBIQVRPPSYFIU-CYBMUJFWSA-N 1 0 344.528 3.737 50 0 EHAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000090801732 564086596 /nfs/dbraw/zinc/08/65/96/564086596.db2.gz UKYRPYRAXXZEAT-APWZRJJASA-N 1 0 347.466 3.505 50 0 EHAARO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000123732063 564086766 /nfs/dbraw/zinc/08/67/66/564086766.db2.gz MJFWOZWGOIXWDB-DOTOQJQBSA-N 1 0 341.455 3.581 50 0 EHAARO Cc1cnccc1CC[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091405540 564087580 /nfs/dbraw/zinc/08/75/80/564087580.db2.gz DXICFLOYPFTVOC-CYBMUJFWSA-N 1 0 328.847 3.823 50 0 EHAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C12CCCC2 ZINC000241720866 564088414 /nfs/dbraw/zinc/08/84/14/564088414.db2.gz QSWUUCNZMSALJN-LYYZXLFJSA-N 1 0 327.559 3.693 50 0 EHAARO Cc1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2=O)cc1Cl ZINC000035798947 564090234 /nfs/dbraw/zinc/09/02/34/564090234.db2.gz HXJOCKUZBWIJHW-OAHLLOKOSA-N 1 0 328.843 3.886 50 0 EHAARO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CC[N@@H+]1C ZINC000521396277 564090898 /nfs/dbraw/zinc/09/08/98/564090898.db2.gz GVUMLVCVGHLFCL-HLLBOEOZSA-N 1 0 342.487 3.525 50 0 EHAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3cccc(C)c3n2)CC(C)C)cc1 ZINC000064590812 564092628 /nfs/dbraw/zinc/09/26/28/564092628.db2.gz BRJKTBWPYUADPI-UHFFFAOYSA-N 1 0 349.478 3.970 50 0 EHAARO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)n1C1CC1 ZINC000089575622 564092951 /nfs/dbraw/zinc/09/29/51/564092951.db2.gz NSAFRSMNOBIDJZ-JLTOFOAXSA-N 1 0 331.504 3.680 50 0 EHAARO CCc1oc(C(=O)N[C@H](C)Cc2ccsc2)cc1C[NH+]1CCCC1 ZINC000426597349 564094197 /nfs/dbraw/zinc/09/41/97/564094197.db2.gz DDZPKGAZQLBFHB-CQSZACIVSA-N 1 0 346.496 3.860 50 0 EHAARO CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCCC[NH+](C)C ZINC000065170473 564102206 /nfs/dbraw/zinc/10/22/06/564102206.db2.gz IPCUFUBLASVDHT-UHFFFAOYSA-N 1 0 333.863 3.510 50 0 EHAARO C[C@@H](C(=O)N(CC1CC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cccc1 ZINC000524732244 564103733 /nfs/dbraw/zinc/10/37/33/564103733.db2.gz SQAOICDMAXKPBD-YSIASYRMSA-N 1 0 343.515 3.552 50 0 biogenic EHAARO COc1ccc2c(c1)CCCN2C(=O)C[N@H+](C(C)C)C1CCCC1 ZINC000065522970 564106873 /nfs/dbraw/zinc/10/68/73/564106873.db2.gz ZNFBJARCRKISNE-UHFFFAOYSA-N 1 0 330.472 3.627 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948890 564115758 /nfs/dbraw/zinc/11/57/58/564115758.db2.gz WISOIQISVLGWSO-GUYCJALGSA-N 1 0 338.854 3.606 50 0 EHAARO Cc1ccc2cccc(C(=O)Nc3c[nH+]ccc3N3CCCC3)c2n1 ZINC000170638048 564117495 /nfs/dbraw/zinc/11/74/95/564117495.db2.gz DTURBBANIJRPRJ-UHFFFAOYSA-N 1 0 332.407 3.791 50 0 EHAARO CCSc1ccc([C@H](C)NC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000236942315 564117706 /nfs/dbraw/zinc/11/77/06/564117706.db2.gz DZUNIDTVRMZRCV-KBXCAEBGSA-N 1 0 328.481 3.718 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCO[C@H]2C(C)C)c(C)c1 ZINC000252486209 564119331 /nfs/dbraw/zinc/11/93/31/564119331.db2.gz GPJVJFNJGFVUFF-ZWOKBUDYSA-N 1 0 332.488 3.671 50 0 EHAARO CC(C)(C)OC[C@@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000007636327 564121360 /nfs/dbraw/zinc/12/13/60/564121360.db2.gz XLTTYAARRSXXTO-NRFANRHFSA-N 1 0 341.495 3.907 50 0 EHAARO Cc1ccnc(Oc2cc(NC(=O)C3(C[NH3+])CCCC3)ccc2C)c1 ZINC000170678132 564121389 /nfs/dbraw/zinc/12/13/89/564121389.db2.gz OYDVJBCJTUSGKU-UHFFFAOYSA-N 1 0 339.439 3.948 50 0 EHAARO FC(F)(F)CC[NH+]1CCC(Nc2ccc(-c3nnco3)cc2)CC1 ZINC000195557301 564123751 /nfs/dbraw/zinc/12/37/51/564123751.db2.gz SPZUYJWQWVYXIK-UHFFFAOYSA-N 1 0 340.349 3.565 50 0 EHAARO Cc1ccccc1[N+]1=C2CCCCCN2[C@@](O)(c2cccs2)C1 ZINC000002974639 564125261 /nfs/dbraw/zinc/12/52/61/564125261.db2.gz ZTXBRRGWGPGUIQ-IBGZPJMESA-N 1 0 327.473 3.707 50 0 EHAARO CC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000584886488 564131508 /nfs/dbraw/zinc/13/15/08/564131508.db2.gz XMPIOKYOMVKUIM-GOSISDBHSA-N 1 0 347.478 3.764 50 0 EHAARO CCc1nc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2)ccc1C ZINC000584900268 564131685 /nfs/dbraw/zinc/13/16/85/564131685.db2.gz LVDLIHCZLCQSNO-IBGZPJMESA-N 1 0 349.478 3.540 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc(OC)c1OC ZINC000093453536 564137571 /nfs/dbraw/zinc/13/75/71/564137571.db2.gz MAPXNEAETHFXSU-QGZVFWFLSA-N 1 0 342.439 3.753 50 0 EHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000079013296 564137583 /nfs/dbraw/zinc/13/75/83/564137583.db2.gz FTLZEAPBZLREGZ-NVXWUHKLSA-N 1 0 342.439 3.874 50 0 EHAARO C[NH+](C)Cc1cccc(C(=O)Nc2nc(-c3ccsc3)ns2)c1 ZINC000095401013 564139524 /nfs/dbraw/zinc/13/95/24/564139524.db2.gz YMMZAJSJMFZMGU-UHFFFAOYSA-N 1 0 344.465 3.581 50 0 EHAARO COc1cccc([C@H](C[C@@H]2CCCO2)[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000095419583 564139882 /nfs/dbraw/zinc/13/98/82/564139882.db2.gz WCEAMROCDLHDPD-SFTDATJTSA-N 1 0 344.499 3.522 50 0 EHAARO c1cn(-c2cc(C[NH2+][C@H]3CC4(CCC4)Oc4ccccc43)ccn2)cn1 ZINC000095421122 564139953 /nfs/dbraw/zinc/13/99/53/564139953.db2.gz KIPYHSUSUWYNRU-SFHVURJKSA-N 1 0 346.434 3.803 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)o1 ZINC000095420848 564140010 /nfs/dbraw/zinc/14/00/10/564140010.db2.gz OBXJKMIFYULFOV-IAGOWNOFSA-N 1 0 328.456 3.660 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2scnc2C)cc1Cn1cccn1 ZINC000095421961 564140045 /nfs/dbraw/zinc/14/00/45/564140045.db2.gz YDSOQCYFPXXEMW-CYBMUJFWSA-N 1 0 342.468 3.556 50 0 EHAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2nccn2CC(C)C)c(C)c1 ZINC000095423178 564140168 /nfs/dbraw/zinc/14/01/68/564140168.db2.gz FPGZZVBZMQHZML-QGZVFWFLSA-N 1 0 342.487 3.663 50 0 EHAARO O=C(c1ccco1)N1CCC([NH2+][C@@H](C2CC2)C2CCCCC2)CC1 ZINC000095427084 564140255 /nfs/dbraw/zinc/14/02/55/564140255.db2.gz XGUXPBMCULJMRS-LJQANCHMSA-N 1 0 330.472 3.833 50 0 EHAARO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000095453112 564140607 /nfs/dbraw/zinc/14/06/07/564140607.db2.gz XMVBXBRFNRQHFK-UHFFFAOYSA-N 1 0 332.463 3.627 50 0 EHAARO CC(C)[C@@H](NC(=O)C[N@H+](C[C@@H]1CCCCO1)C(C)C)c1ccccc1 ZINC000095455739 564140610 /nfs/dbraw/zinc/14/06/10/564140610.db2.gz JUNVXFXTRZOKNV-PZJWPPBQSA-N 1 0 346.515 3.779 50 0 EHAARO Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccncc2)C(C)C)c(Cl)c1 ZINC000095462609 564140840 /nfs/dbraw/zinc/14/08/40/564140840.db2.gz CZMDDYUCGUXSJI-GOSISDBHSA-N 1 0 331.847 3.969 50 0 EHAARO CCCS(=O)(=O)Oc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000095469419 564141223 /nfs/dbraw/zinc/14/12/23/564141223.db2.gz HXIKRRRBJKULGM-HNNXBMFYSA-N 1 0 333.453 3.656 50 0 EHAARO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095948093 564142287 /nfs/dbraw/zinc/14/22/87/564142287.db2.gz VBKCPDOWRYBTTB-GUDVDZBRSA-N 1 0 345.462 3.593 50 0 EHAARO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968185 564143214 /nfs/dbraw/zinc/14/32/14/564143214.db2.gz CWKXMYHQGYPPCU-ZFWWWQNUSA-N 1 0 342.936 3.943 50 0 EHAARO Cc1nnc(CCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCc3ccccc32)o1 ZINC000095983397 564143802 /nfs/dbraw/zinc/14/38/02/564143802.db2.gz CREVZWPFPTTYDE-RTBURBONSA-N 1 0 325.456 3.895 50 0 EHAARO CCNC(=O)N1CCC([NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000095986475 564143933 /nfs/dbraw/zinc/14/39/33/564143933.db2.gz GQNFPCKGNDSKKT-LBPRGKRZSA-N 1 0 349.862 3.931 50 0 EHAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000095986367 564143948 /nfs/dbraw/zinc/14/39/48/564143948.db2.gz VYCMFQCEAAHWGU-HNNXBMFYSA-N 1 0 343.393 3.584 50 0 EHAARO CC(C)COc1ccc(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cc1 ZINC000096003644 564144427 /nfs/dbraw/zinc/14/44/27/564144427.db2.gz LYBVSHZMABSEBV-HYBUGGRVSA-N 1 0 345.508 3.931 50 0 EHAARO C[N@H+](C[C@@H](O)CCc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000096013746 564144840 /nfs/dbraw/zinc/14/48/40/564144840.db2.gz LNVKTJAPYHTFRQ-YADHBBJMSA-N 1 0 338.495 3.581 50 0 EHAARO Fc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000097021381 564149152 /nfs/dbraw/zinc/14/91/52/564149152.db2.gz SQDVGCZMAIJVAC-ZCNNSNEGSA-N 1 0 325.431 3.527 50 0 EHAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000097055507 564149350 /nfs/dbraw/zinc/14/93/50/564149350.db2.gz SJHMQUPNFWFQII-NRFANRHFSA-N 1 0 348.490 3.745 50 0 EHAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000097221983 564149546 /nfs/dbraw/zinc/14/95/46/564149546.db2.gz TXIRVTORMWXGEM-AWEZNQCLSA-N 1 0 344.484 3.806 50 0 EHAARO C[C@H](CCc1ccco1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057137163 564153286 /nfs/dbraw/zinc/15/32/86/564153286.db2.gz QFOCDHPSEOFTGU-QGZVFWFLSA-N 1 0 340.467 3.629 50 0 EHAARO CC(=O)c1oc2ccccc2c1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057335881 564153585 /nfs/dbraw/zinc/15/35/85/564153585.db2.gz JCJPFLMMAQHWEU-CYBMUJFWSA-N 1 0 336.391 3.925 50 0 EHAARO Cn1c2ccccc2c(C(=O)CNCCC[NH+](C)C)c1-c1ccccc1 ZINC000003292345 564157078 /nfs/dbraw/zinc/15/70/78/564157078.db2.gz JDURVNDHPNVKRU-UHFFFAOYSA-N 1 0 349.478 3.569 50 0 EHAARO C[C@H](C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000003349400 564157567 /nfs/dbraw/zinc/15/75/67/564157567.db2.gz DEXXSHGSYMDIJX-DNVCBOLYSA-N 1 0 333.859 3.611 50 0 EHAARO C[N@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000003540067 564158859 /nfs/dbraw/zinc/15/88/59/564158859.db2.gz KHYOUKGFNWGBGD-UHFFFAOYSA-N 1 0 341.480 3.686 50 0 EHAARO Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000003553026 564158904 /nfs/dbraw/zinc/15/89/04/564158904.db2.gz RKEAUMDXJVAVHO-UHFFFAOYSA-N 1 0 343.858 3.653 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000229427462 564160908 /nfs/dbraw/zinc/16/09/08/564160908.db2.gz AAZAVONODRBHGA-FPCVCCKLSA-N 1 0 346.437 3.830 50 0 EHAARO C[C@H]1CCc2sc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC000007981266 564161753 /nfs/dbraw/zinc/16/17/53/564161753.db2.gz SUWMPCSGCGUEOZ-WMLDXEAASA-N 1 0 342.508 3.906 50 0 EHAARO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCCCCC1 ZINC000008132895 564163068 /nfs/dbraw/zinc/16/30/68/564163068.db2.gz GXDZBXHITUVSJG-QGZVFWFLSA-N 1 0 329.488 3.880 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000040097672 564168029 /nfs/dbraw/zinc/16/80/29/564168029.db2.gz WWVLFTJTJCVYQR-AWEZNQCLSA-N 1 0 341.839 3.965 50 0 EHAARO C[C@H]([NH2+]C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010383892 564175538 /nfs/dbraw/zinc/17/55/38/564175538.db2.gz BBNIUQHMXMTCJF-ONRSHAKCSA-N 1 0 343.511 3.931 50 0 EHAARO COCCCn1c(C)cnc1[C@@H]1CC[N@H+](Cc2sccc2C)C1 ZINC000169788033 1032653113 /nfs/dbraw/zinc/65/31/13/1032653113.db2.gz DAJLCQPAGYJBMN-MRXNPFEDSA-N 1 0 333.501 3.587 50 0 EHAARO c1ccc([C@H](CC2CCC2)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000655753399 1017535440 /nfs/dbraw/zinc/53/54/40/1017535440.db2.gz ZYVZNIQVAKXAAF-RTWAWAEBSA-N 1 0 328.500 3.761 50 0 EHAARO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(=O)n1C ZINC000194117010 1023146126 /nfs/dbraw/zinc/14/61/26/1023146126.db2.gz VDLCKWJXQFSAMT-MRXNPFEDSA-N 1 0 347.462 3.734 50 0 EHAARO C[C@@H](CC[NH+]1CCC(c2nc(N(C)C)no2)CC1)c1ccccc1 ZINC000194752365 1033433726 /nfs/dbraw/zinc/43/37/26/1033433726.db2.gz CTDRNNBMJDZNIF-HNNXBMFYSA-N 1 0 328.460 3.509 50 0 EHAARO COc1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1OCc1ccccc1 ZINC000008675580 1033948119 /nfs/dbraw/zinc/94/81/19/1033948119.db2.gz SCQLCWDRKPAQAI-IBGZPJMESA-N 1 0 341.451 3.621 50 0 EHAARO C[NH+](C)C1(CC2CC2)CCN(C(=O)CCCc2ccccc2)CC1 ZINC000581811384 1035620684 /nfs/dbraw/zinc/62/06/84/1035620684.db2.gz WOADSIJPFBOMQY-UHFFFAOYSA-N 1 0 328.500 3.732 50 0 EHAARO CC1(C)CN(C(=O)CCc2cccc(OC3CCCC3)c2)CC[C@@H]1[NH3+] ZINC000261673181 1037587724 /nfs/dbraw/zinc/58/77/24/1037587724.db2.gz CAHOKXSIXGFLOE-IBGZPJMESA-N 1 0 344.499 3.526 50 0 EHAARO CC(C)CC[NH+]1CCC(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000257181227 1038414260 /nfs/dbraw/zinc/41/42/60/1038414260.db2.gz FHJWQGNGHYEYAK-UHFFFAOYSA-N 1 0 328.500 3.879 50 0 EHAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C/c1cc2ccccc2o1 ZINC000084697500 1039356433 /nfs/dbraw/zinc/35/64/33/1039356433.db2.gz FYYXPJOZBQUVEH-UETGSQEOSA-N 1 0 326.440 3.683 50 0 EHAARO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000181329230 1124760178 /nfs/dbraw/zinc/76/01/78/1124760178.db2.gz FSDIJGQMAHHPET-CYBMUJFWSA-N 1 0 346.377 3.815 50 0 EHAARO Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)[NH2+]Cc1ccncc1 ZINC000012320502 1129520616 /nfs/dbraw/zinc/52/06/16/1129520616.db2.gz AVSUSEMZEYEFBP-HNNXBMFYSA-N 1 0 339.487 3.800 50 0 EHAARO Cc1cccc(C)c1N[C@@H](C)C(=O)NCCCC[NH+]1CCCCCC1 ZINC000820631922 1130885479 /nfs/dbraw/zinc/88/54/79/1130885479.db2.gz FGBYYVYXWVWHDK-IBGZPJMESA-N 1 0 345.531 3.876 50 0 EHAARO CC(C)n1cc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000828206462 1131426855 /nfs/dbraw/zinc/42/68/55/1131426855.db2.gz WAXXAZJNRIIBND-UHFFFAOYSA-N 1 0 326.444 3.702 50 0 EHAARO O=C(CCCc1ccccc1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000581787982 1132356186 /nfs/dbraw/zinc/35/61/86/1132356186.db2.gz MUYPPJVWHUFJNU-HXUWFJFHSA-N 1 0 328.500 3.734 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)NCc2ccccc2)CC1 ZINC000581787949 1132356727 /nfs/dbraw/zinc/35/67/27/1132356727.db2.gz LEGZHBGHPHROLL-FQEVSTJZSA-N 1 0 343.515 3.873 50 0 EHAARO Cc1ccc(C(=O)N2CCC(Cn3c(C)c[nH+]c3C3CC3)CC2)s1 ZINC000581807838 1132371657 /nfs/dbraw/zinc/37/16/57/1132371657.db2.gz BLOBLMZYVAMETJ-UHFFFAOYSA-N 1 0 343.496 3.991 50 0 EHAARO Cc1ccccc1C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)C1CC1 ZINC000585081444 1136966796 /nfs/dbraw/zinc/96/67/96/1136966796.db2.gz INDGRXXCMXNRBL-QFIPXVFZSA-N 1 0 346.478 3.746 50 0 EHAARO Cc1nc(-c2ccc(C(=O)N[C@@H]3CCCc4nc[nH]c43)cc2)cs1 ZINC000585122568 1137011764 /nfs/dbraw/zinc/01/17/64/1137011764.db2.gz BBNNFOQMEUYFBI-OAHLLOKOSA-N 1 0 338.436 3.649 50 0 EHAARO Cc1cc(N2CC[C@H](OCc3ccncc3)C2)c2cc(F)ccc2[nH+]1 ZINC000192907695 1137456921 /nfs/dbraw/zinc/45/69/21/1137456921.db2.gz NDZUCVOCVBXUCS-KRWDZBQOSA-N 1 0 337.398 3.873 50 0 EHAARO COCC[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C(C)(C)C ZINC000511007189 1137471374 /nfs/dbraw/zinc/47/13/74/1137471374.db2.gz AMXPVTLRQMEMQI-GFBDMGBSSA-N 1 0 344.499 3.860 50 0 EHAARO CC[C@@H]1C[N@@H+](C2CCN(c3ccc(F)cc3)CC2)CCN1C(C)C ZINC000952969989 1137484084 /nfs/dbraw/zinc/48/40/84/1137484084.db2.gz JEABFXUXEWSJFP-GOSISDBHSA-N 1 0 333.495 3.599 50 0 EHAARO Cn1nc(C[NH2+]CCOc2ccccc2F)c2c1cccc2Cl ZINC000952976546 1137484491 /nfs/dbraw/zinc/48/44/91/1137484491.db2.gz SNULLBJZATZMIC-UHFFFAOYSA-N 1 0 333.794 3.534 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCC(=O)N2CCCC2)cc1)C1=CCCCC1 ZINC000952988755 1137485755 /nfs/dbraw/zinc/48/57/55/1137485755.db2.gz UJGXYDRHDJYKCG-QGZVFWFLSA-N 1 0 342.483 3.666 50 0 EHAARO CN(Cc1ccccc1)C(=O)CCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000012072336 201823675 /nfs/dbraw/zinc/82/36/75/201823675.db2.gz QLKALBUKKOZJDM-LJQANCHMSA-N 1 0 346.540 3.643 50 0 EHAARO COc1ccc(Br)cc1C[NH2+]CCc1cccc(F)c1 ZINC000019720539 202016061 /nfs/dbraw/zinc/01/60/61/202016061.db2.gz IVXMBBNYQPHOJX-UHFFFAOYSA-N 1 0 338.220 3.929 50 0 EHAARO CCOc1ccc(CN2CC[NH+](Cc3ccc(CC)cc3)CC2)cc1 ZINC000019842258 202023224 /nfs/dbraw/zinc/02/32/24/202023224.db2.gz KPACHBQGIGPENA-UHFFFAOYSA-N 1 0 338.495 3.966 50 0 EHAARO C[NH+]1CCN(CCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000020118139 202033072 /nfs/dbraw/zinc/03/30/72/202033072.db2.gz NZLOKOMSVKGYAL-UHFFFAOYSA-N 1 0 338.495 3.639 50 0 EHAARO O[C@](C[NH2+]Cc1ccccc1F)(c1ccccc1)c1ccc(F)cc1 ZINC000020365990 202039795 /nfs/dbraw/zinc/03/97/95/202039795.db2.gz JQERPSVWJZOQSY-OAQYLSRUSA-N 1 0 339.385 3.991 50 0 EHAARO Cc1ccc([C@H](CC[NH2+]CCN(C)C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000020566490 202048993 /nfs/dbraw/zinc/04/89/93/202048993.db2.gz OFXYFIUSQDZZBQ-UXHICEINSA-N 1 0 332.532 3.825 50 0 EHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC000021720960 202069226 /nfs/dbraw/zinc/06/92/26/202069226.db2.gz XRXLJBZYGHCIQO-HNNXBMFYSA-N 1 0 330.428 3.900 50 0 EHAARO C[NH+](C)C1(CNC(=O)c2cccc3cccnc32)CCCCCC1 ZINC000021200732 202063540 /nfs/dbraw/zinc/06/35/40/202063540.db2.gz ATXQFALDFXNJLE-UHFFFAOYSA-N 1 0 325.456 3.619 50 0 EHAARO Brc1ccc(-c2ccc(CN3CC[NH2+]CC3)s2)cc1 ZINC000022934459 202095770 /nfs/dbraw/zinc/09/57/70/202095770.db2.gz XKPVNORDQKPEBW-UHFFFAOYSA-N 1 0 337.286 3.583 50 0 EHAARO c1ccc2[nH]c(CN[C@H]3CCC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000023374206 202102987 /nfs/dbraw/zinc/10/29/87/202102987.db2.gz ZNGSIQHIVXLVOX-KRWDZBQOSA-N 1 0 326.488 3.697 50 0 EHAARO CN1CCC[C@]2(CC[N@H+](Cc3sc4ccccc4c3Cl)C2)C1=O ZINC000012298982 202111117 /nfs/dbraw/zinc/11/11/17/202111117.db2.gz UUMOIBNWGNTFJM-GOSISDBHSA-N 1 0 348.899 3.999 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCCC2)cc1 ZINC000027794363 202160015 /nfs/dbraw/zinc/16/00/15/202160015.db2.gz QATSAGGCSVBOFI-LJQANCHMSA-N 1 0 326.415 3.701 50 0 EHAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000027583842 202158027 /nfs/dbraw/zinc/15/80/27/202158027.db2.gz PSITXYUSOZRHOK-GOSISDBHSA-N 1 0 328.843 3.907 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(C)cc1)c1ccccc1 ZINC000028291872 202169557 /nfs/dbraw/zinc/16/95/57/202169557.db2.gz LVRBKNUUKCJBKJ-HXUWFJFHSA-N 1 0 340.467 3.573 50 0 EHAARO CC1(C)CC(NC(=O)CCCSc2ccccc2)CC(C)(C)[NH2+]1 ZINC000029787540 202190815 /nfs/dbraw/zinc/19/08/15/202190815.db2.gz ILZNKKATRJRXAH-UHFFFAOYSA-N 1 0 334.529 3.984 50 0 EHAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000029358446 202185773 /nfs/dbraw/zinc/18/57/73/202185773.db2.gz QNFOADAXHBEIDH-FQEVSTJZSA-N 1 0 326.484 3.891 50 0 EHAARO C[NH+](C)Cc1ccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000030772443 202198062 /nfs/dbraw/zinc/19/80/62/202198062.db2.gz XQFJYBSENJTNOH-OAHLLOKOSA-N 1 0 344.842 3.591 50 0 EHAARO COc1ccc(CC[N@H+](C)Cc2nc3ccccc3s2)cc1OC ZINC000030482167 202196416 /nfs/dbraw/zinc/19/64/16/202196416.db2.gz JLASXZCZRJEXOZ-UHFFFAOYSA-N 1 0 342.464 3.988 50 0 EHAARO Ic1ccccc1C[NH2+]CCc1ccccc1 ZINC000031946984 202215585 /nfs/dbraw/zinc/21/55/85/202215585.db2.gz ZYZJAEZUKVMQIZ-UHFFFAOYSA-N 1 0 337.204 3.624 50 0 EHAARO COc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000032862286 202238552 /nfs/dbraw/zinc/23/85/52/202238552.db2.gz SGTCVFBORVVJEC-UHFFFAOYSA-N 1 0 339.867 3.779 50 0 EHAARO Cc1ccsc1C[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000032870836 202238684 /nfs/dbraw/zinc/23/86/84/202238684.db2.gz KYDMFITWKQXRMY-UHFFFAOYSA-N 1 0 336.888 3.848 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2)[NH+](C)C)cc1 ZINC000032734437 202230986 /nfs/dbraw/zinc/23/09/86/202230986.db2.gz LLIBKPZWXSXYHC-HXUWFJFHSA-N 1 0 338.495 3.946 50 0 EHAARO CC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000033069029 202250182 /nfs/dbraw/zinc/25/01/82/202250182.db2.gz FVNSPLNVFCMQPU-UHFFFAOYSA-N 1 0 341.480 3.902 50 0 EHAARO Cc1ccc(Cl)cc1NC(=O)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128916 202250694 /nfs/dbraw/zinc/25/06/94/202250694.db2.gz NHNSXCGJDVHUKC-UHFFFAOYSA-N 1 0 329.831 3.899 50 0 EHAARO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104295 202316255 /nfs/dbraw/zinc/31/62/55/202316255.db2.gz ZAWLFBMECSTKRB-NRFANRHFSA-N 1 0 345.458 3.861 50 0 EHAARO CC(=O)n1cc(C[C@H]2CCC[N@H+]2C)c2cc(Br)ccc21 ZINC000036422958 202326218 /nfs/dbraw/zinc/32/62/18/202326218.db2.gz PIIFSFIOOCHDIK-CQSZACIVSA-N 1 0 335.245 3.701 50 0 EHAARO Cc1n[nH]cc1C[NH2+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000078552686 202396054 /nfs/dbraw/zinc/39/60/54/202396054.db2.gz YPSZRSZQANRIHK-IBGZPJMESA-N 1 0 349.413 3.738 50 0 EHAARO FC(F)Oc1ccccc1C[NH2+]Cc1ccccc1-n1ccnc1 ZINC000078612759 202399110 /nfs/dbraw/zinc/39/91/10/202399110.db2.gz FUMKJSODZIKOLI-UHFFFAOYSA-N 1 0 329.350 3.764 50 0 EHAARO NC(=O)c1ccc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000299306488 202473072 /nfs/dbraw/zinc/47/30/72/202473072.db2.gz DXZAQYULTNOKIL-KRWDZBQOSA-N 1 0 346.377 3.554 50 0 EHAARO COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027749442 212576635 /nfs/dbraw/zinc/57/66/35/212576635.db2.gz WSPFPHWIXOFNET-FQEVSTJZSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3cncs3)cc2C1 ZINC000189580587 201047533 /nfs/dbraw/zinc/04/75/33/201047533.db2.gz KLGKULFZLCJZFF-UHFFFAOYSA-N 1 0 345.468 3.684 50 0 EHAARO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000225428189 201034363 /nfs/dbraw/zinc/03/43/63/201034363.db2.gz UQNJRCRJPUGWQI-JKDFXYPNSA-N 1 0 329.868 3.805 50 0 EHAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1c1ccccn1 ZINC000071831372 201171290 /nfs/dbraw/zinc/17/12/90/201171290.db2.gz ZUYQVFITHBWXIS-NRFANRHFSA-N 1 0 349.478 3.657 50 0 EHAARO Cc1nn(C(C)C)c(C)c1[C@@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000095419954 370697121 /nfs/dbraw/zinc/69/71/21/370697121.db2.gz DVRCQEAKCKEWIE-CQSZACIVSA-N 1 0 325.460 3.622 50 0 EHAARO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000058224915 202745849 /nfs/dbraw/zinc/74/58/49/202745849.db2.gz PCKCZMYLQHBTHT-LJQANCHMSA-N 1 0 345.389 3.593 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2F)cc1)c1ccnn1C ZINC000193294622 240095948 /nfs/dbraw/zinc/09/59/48/240095948.db2.gz NZQCXNHXZDTHOC-OAHLLOKOSA-N 1 0 339.414 3.989 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cnc(N3CCCC3)s2)c1 ZINC000215194589 241111592 /nfs/dbraw/zinc/11/15/92/241111592.db2.gz QQGCAQLJIVZSKL-HNNXBMFYSA-N 1 0 330.501 3.510 50 0 EHAARO Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000226848106 242115803 /nfs/dbraw/zinc/11/58/03/242115803.db2.gz BLXQVTGCSHQMBQ-RDJZCZTQSA-N 1 0 326.440 3.736 50 0 EHAARO CC1(C)CC(Nc2ncnc3sc4c(c32)CCC4)CC(C)(C)[NH2+]1 ZINC000006084181 201673390 /nfs/dbraw/zinc/67/33/90/201673390.db2.gz HYCVQZRXVCFRAB-UHFFFAOYSA-N 1 0 330.501 3.901 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)CCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000244673702 243055447 /nfs/dbraw/zinc/05/54/47/243055447.db2.gz HUBVUXSAEMBIGB-AWEZNQCLSA-N 1 0 347.409 3.560 50 0 EHAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000244816947 243084907 /nfs/dbraw/zinc/08/49/07/243084907.db2.gz SRQFRJOKQWKSEM-INIZCTEOSA-N 1 0 328.460 3.835 50 0 EHAARO O=C([C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000063631178 202809004 /nfs/dbraw/zinc/80/90/04/202809004.db2.gz KHKSBJLGLRDZNI-NJDAHSKKSA-N 1 0 334.463 3.886 50 0 EHAARO CC(C)Oc1ccc(F)cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000067296180 202910262 /nfs/dbraw/zinc/91/02/62/202910262.db2.gz VRERSSMLSQAYMS-UHFFFAOYSA-N 1 0 349.450 3.705 50 0 EHAARO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)Nc1ccccc1 ZINC000069843022 203055854 /nfs/dbraw/zinc/05/58/54/203055854.db2.gz JSHKONGYUFCLHE-UHFFFAOYSA-N 1 0 344.842 3.574 50 0 EHAARO CC[NH+](CC)CCCN(C(C)=O)c1ccnc2cc(Cl)ccc21 ZINC000071767224 203112362 /nfs/dbraw/zinc/11/23/62/203112362.db2.gz DWLSLCMBZUAFSV-UHFFFAOYSA-N 1 0 333.863 3.973 50 0 EHAARO CC[C@]1(O)CCC[N@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000071715046 203105568 /nfs/dbraw/zinc/10/55/68/203105568.db2.gz YTCHXBKXAFMTNI-IBGZPJMESA-N 1 0 348.418 3.535 50 0 EHAARO CC(C)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCC[N@@H+]1CC1CC1 ZINC000071761064 203109406 /nfs/dbraw/zinc/10/94/06/203109406.db2.gz XRPFKSOUPPZAFJ-FQEVSTJZSA-N 1 0 339.483 3.750 50 0 EHAARO Clc1ccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)cc1 ZINC000071792602 203113479 /nfs/dbraw/zinc/11/34/79/203113479.db2.gz CTOLXCMGAJRCOV-UHFFFAOYSA-N 1 0 329.875 3.532 50 0 EHAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000072128921 203164611 /nfs/dbraw/zinc/16/46/11/203164611.db2.gz GHNWUWGRVOSKSF-LBPRGKRZSA-N 1 0 330.259 3.941 50 0 EHAARO CN(Cc1cccc2ncccc12)C(=O)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000072124101 203165133 /nfs/dbraw/zinc/16/51/33/203165133.db2.gz JRLXHNISFVYHTN-GOSISDBHSA-N 1 0 345.446 3.584 50 0 EHAARO COc1ccnc(C[N@@H+]2CCC[C@@H](CCc3ccccc3)C2)c1OC ZINC000072144583 203169285 /nfs/dbraw/zinc/16/92/85/203169285.db2.gz LVSMRCUAMHXESH-SFHVURJKSA-N 1 0 340.467 3.944 50 0 EHAARO CC(=O)C1(c2ccccc2)CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000072145517 203170208 /nfs/dbraw/zinc/17/02/08/203170208.db2.gz VMZWEFWKUSMBRU-OAQYLSRUSA-N 1 0 337.463 3.733 50 0 EHAARO O=C(NCc1cccc2ccccc21)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072149248 203171342 /nfs/dbraw/zinc/17/13/42/203171342.db2.gz CMMFMEPRMQXHME-SFHVURJKSA-N 1 0 330.431 3.847 50 0 EHAARO CC(C)c1nc(CN(C)C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)cs1 ZINC000072153712 203174194 /nfs/dbraw/zinc/17/41/94/203174194.db2.gz ZZYJRODLTVSPOP-CQSZACIVSA-N 1 0 343.496 3.616 50 0 EHAARO COc1ccnc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)c1 ZINC000072161373 203176719 /nfs/dbraw/zinc/17/67/19/203176719.db2.gz DBFKQXIPDXKHNP-GOSISDBHSA-N 1 0 326.440 3.783 50 0 EHAARO Oc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000072169306 203181550 /nfs/dbraw/zinc/18/15/50/203181550.db2.gz XOTWHRBFMBNVKD-MRXNPFEDSA-N 1 0 327.428 3.640 50 0 EHAARO CCCCS(=O)(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000072268474 203185443 /nfs/dbraw/zinc/18/54/43/203185443.db2.gz XHMLNKACPRUHGB-UHFFFAOYSA-N 1 0 338.517 3.993 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1C ZINC000077420743 203387064 /nfs/dbraw/zinc/38/70/64/203387064.db2.gz PWSVAOORYPDCQK-OAQYLSRUSA-N 1 0 326.484 3.670 50 0 EHAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccnc3N)C2)cc1 ZINC000077422717 203387685 /nfs/dbraw/zinc/38/76/85/203387685.db2.gz IBMLJBQTCMIWDV-QGZVFWFLSA-N 1 0 347.466 3.742 50 0 EHAARO CC(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(F)c2)C[C@H]1c1ccc(C)cc1 ZINC000077470595 203390689 /nfs/dbraw/zinc/39/06/89/203390689.db2.gz KESOJCPFBOQVFV-LEWJYISDSA-N 1 0 340.442 3.547 50 0 EHAARO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCN(c2ccccc2)C1 ZINC000077505600 203392171 /nfs/dbraw/zinc/39/21/71/203392171.db2.gz DXPVCNDRHUTVSC-MRXNPFEDSA-N 1 0 336.439 3.628 50 0 EHAARO Cc1cc(C)cc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1 ZINC000091755695 203649871 /nfs/dbraw/zinc/64/98/71/203649871.db2.gz JOWNECJWDYHGSY-UYAOXDASSA-N 1 0 326.484 3.640 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000012420081 211374744 /nfs/dbraw/zinc/37/47/44/211374744.db2.gz SDCHXRFZDLZQFR-IEBWSBKVSA-N 1 0 325.452 3.968 50 0 EHAARO COc1cc([C@@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)ccc1F ZINC000095453754 218397289 /nfs/dbraw/zinc/39/72/89/218397289.db2.gz GLBHYJFYPBSCGG-TZMCWYRMSA-N 1 0 328.387 3.611 50 0 EHAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCC(F)(F)C1 ZINC000282779103 257936785 /nfs/dbraw/zinc/93/67/85/257936785.db2.gz VMSYRVRFYAUACL-KRWDZBQOSA-N 1 0 336.426 3.724 50 0 EHAARO CCc1noc([C@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000328593556 258043648 /nfs/dbraw/zinc/04/36/48/258043648.db2.gz IHIJGEMPXNATMJ-LSDHHAIUSA-N 1 0 348.516 3.517 50 0 EHAARO CCC(CC)c1cc(C(=O)N[C@H]2CC[C@H]([NH+]3CCCCC3)C2)on1 ZINC000328591321 258044182 /nfs/dbraw/zinc/04/41/82/258044182.db2.gz AELJPTRWCFTUQZ-HOTGVXAUSA-N 1 0 333.476 3.715 50 0 EHAARO CCCSc1ccccc1NC(=O)NCC12CCC[NH+]1CCC2 ZINC000299795037 258100002 /nfs/dbraw/zinc/10/00/02/258100002.db2.gz KPAZNQAUKWKXTI-UHFFFAOYSA-N 1 0 333.501 3.939 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1 ZINC000299796136 258100229 /nfs/dbraw/zinc/10/02/29/258100229.db2.gz ODAAPLBSSYNGJH-UHFFFAOYSA-N 1 0 335.451 3.907 50 0 EHAARO O=C(CC[NH+]1CCCCCC1)NCc1ccc(-c2ccccc2)o1 ZINC000299798295 258102620 /nfs/dbraw/zinc/10/26/20/258102620.db2.gz RWMZJWUTMNAHBY-UHFFFAOYSA-N 1 0 326.440 3.829 50 0 EHAARO Cc1ccc(-c2cccc(N3CCC([NH2+]CCCCO)CC3)c2)cc1 ZINC000055119691 132194033 /nfs/dbraw/zinc/19/40/33/132194033.db2.gz IPKHDPVXIJAOQZ-UHFFFAOYSA-N 1 0 338.495 3.993 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000057547018 132200677 /nfs/dbraw/zinc/20/06/77/132200677.db2.gz LAWGDOYISQAIPX-UHFFFAOYSA-N 1 0 332.451 3.707 50 0 EHAARO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000248627494 526156183 /nfs/dbraw/zinc/15/61/83/526156183.db2.gz QCNAYWGTQWLYAL-UONOGXRCSA-N 1 0 328.485 3.753 50 0 EHAARO CCCNc1ncc(C[NH+]2CCC(c3ccccc3OC)CC2)cn1 ZINC000215327278 535205674 /nfs/dbraw/zinc/20/56/74/535205674.db2.gz CGBVBTOQAJMMTA-UHFFFAOYSA-N 1 0 340.471 3.687 50 0 EHAARO Cc1nn(C)cc1C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000093612845 564137958 /nfs/dbraw/zinc/13/79/58/564137958.db2.gz RHNJUCWUCOWVQR-UHFFFAOYSA-N 1 0 348.288 3.655 50 0 EHAARO O=C(OCC[NH+]1CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000000206664 563259793 /nfs/dbraw/zinc/25/97/93/563259793.db2.gz OIWXVWIEJKUOQS-UHFFFAOYSA-N 1 0 337.419 3.953 50 0 EHAARO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccccc1 ZINC000000359843 563292831 /nfs/dbraw/zinc/29/28/31/563292831.db2.gz QJJVVSBXYWLXLA-UHFFFAOYSA-N 1 0 349.858 3.788 50 0 EHAARO CC(C)[N@H+](C)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000002180591 563425447 /nfs/dbraw/zinc/42/54/47/563425447.db2.gz TXWCAMLCIYPAGQ-UHFFFAOYSA-N 1 0 325.452 3.876 50 0 EHAARO CCOC(=O)c1cccc(C(=O)c2ccccc2C[NH+]2CCCC2)c1 ZINC000002515552 563437076 /nfs/dbraw/zinc/43/70/76/563437076.db2.gz MDCLVCDRTYUDCJ-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO Cc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccc(C)cc2)cc1 ZINC000002527995 563439691 /nfs/dbraw/zinc/43/96/91/563439691.db2.gz XNOJRWBFTJJQCC-UHFFFAOYSA-N 1 0 327.411 3.828 50 0 EHAARO Cc1cc(C)c(NC(=S)NCC[NH2+]Cc2ccccc2)c(C)c1 ZINC000003086656 563471302 /nfs/dbraw/zinc/47/13/02/563471302.db2.gz CSYJNKKVMXLDHG-UHFFFAOYSA-N 1 0 327.497 3.688 50 0 EHAARO O[C@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004827621 563512256 /nfs/dbraw/zinc/51/22/56/563512256.db2.gz RUPWEIHMVFBUON-UXHICEINSA-N 1 0 329.390 3.552 50 0 EHAARO O=C(COc1ccccc1C[NH2+]Cc1ccccc1)Nc1ccccc1 ZINC000005027748 563519414 /nfs/dbraw/zinc/51/94/14/563519414.db2.gz OQDSNEKQMIAGFC-UHFFFAOYSA-N 1 0 346.430 3.994 50 0 EHAARO COc1cc(C)c(C[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1C ZINC000005538861 563537686 /nfs/dbraw/zinc/53/76/86/563537686.db2.gz HLPRKBPQNCBRHK-UHFFFAOYSA-N 1 0 345.439 3.628 50 0 EHAARO O=C(c1ccc(F)cc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006729973 563583471 /nfs/dbraw/zinc/58/34/71/563583471.db2.gz JRFWPIUEJFMSSO-UHFFFAOYSA-N 1 0 342.458 3.552 50 0 EHAARO Cc1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cs1 ZINC000006730888 563583886 /nfs/dbraw/zinc/58/38/86/563583886.db2.gz YIDMBTLZFUVAIN-UHFFFAOYSA-N 1 0 344.524 3.783 50 0 EHAARO O=C(CCc1ccccc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011661419 563650324 /nfs/dbraw/zinc/65/03/24/563650324.db2.gz NPTMKDMCHHXZQH-IBGZPJMESA-N 1 0 328.500 3.923 50 0 EHAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000011820767 563651214 /nfs/dbraw/zinc/65/12/14/563651214.db2.gz DGCOJBBTBUFLSW-SFHVURJKSA-N 1 0 328.456 3.972 50 0 EHAARO O=C(c1ccoc1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012031490 563652559 /nfs/dbraw/zinc/65/25/59/563652559.db2.gz YJNVJTZOKWXDEE-FQEVSTJZSA-N 1 0 330.472 3.788 50 0 EHAARO CC(C)c1nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cs1 ZINC000012058299 563653063 /nfs/dbraw/zinc/65/30/63/563653063.db2.gz IFFPORYURIADGG-IBGZPJMESA-N 1 0 347.528 3.605 50 0 EHAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000012225595 563656616 /nfs/dbraw/zinc/65/66/16/563656616.db2.gz NTFMGGVXGIJRKR-FQEVSTJZSA-N 1 0 345.439 3.615 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000012382511 563659477 /nfs/dbraw/zinc/65/94/77/563659477.db2.gz KSPAQGRGMKYXNC-UHFFFAOYSA-N 1 0 329.271 3.525 50 0 EHAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000012470435 563661940 /nfs/dbraw/zinc/66/19/40/563661940.db2.gz ZHGSOKJLARQEBZ-IBGZPJMESA-N 1 0 338.455 3.608 50 0 EHAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccco3)nc21 ZINC000004359687 563669373 /nfs/dbraw/zinc/66/93/73/563669373.db2.gz ZLZRXFHXLCGNJR-UHFFFAOYSA-N 1 0 343.452 3.796 50 0 EHAARO COc1ccccc1NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012972216 563679576 /nfs/dbraw/zinc/67/95/76/563679576.db2.gz XCGCHOYHSOAYIB-SFHVURJKSA-N 1 0 339.439 3.654 50 0 EHAARO COc1cccc2cc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3)oc21 ZINC000032740404 563721019 /nfs/dbraw/zinc/72/10/19/563721019.db2.gz VCMWOGGXXNJTHM-GOSISDBHSA-N 1 0 336.435 3.806 50 0 EHAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000014232304 563753219 /nfs/dbraw/zinc/75/32/19/563753219.db2.gz GKYQTNSDGWDXLJ-CQSZACIVSA-N 1 0 342.439 3.556 50 0 EHAARO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1F ZINC000014957475 563768050 /nfs/dbraw/zinc/76/80/50/563768050.db2.gz QFXPHZXTYVFOSN-MRXNPFEDSA-N 1 0 348.462 3.751 50 0 EHAARO CCc1ccc(C[NH+]2CCC(CO)(Cc3cccc(OC)c3)CC2)o1 ZINC000014978531 563770017 /nfs/dbraw/zinc/77/00/17/563770017.db2.gz IMJQDZNTRCBMAL-UHFFFAOYSA-N 1 0 343.467 3.668 50 0 EHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccncc2)C1)Nc1ccccc1F ZINC000015065044 563775152 /nfs/dbraw/zinc/77/51/52/563775152.db2.gz YPIBQFVRASVRFI-INIZCTEOSA-N 1 0 341.430 3.852 50 0 EHAARO Cc1cccc(N2C[C@](O)(c3cccs3)[N+]3=C2CCCCC3)c1 ZINC000015953388 563800816 /nfs/dbraw/zinc/80/08/16/563800816.db2.gz INNSVYIRICOVGC-IBGZPJMESA-N 1 0 327.473 3.707 50 0 EHAARO COc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc(OC)c1O ZINC000023280160 563918251 /nfs/dbraw/zinc/91/82/51/563918251.db2.gz UZBXKIGEUWXTJL-UHFFFAOYSA-N 1 0 343.398 3.838 50 0 EHAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc4ccccc43)C2=O)cc1 ZINC000022185121 563918573 /nfs/dbraw/zinc/91/85/73/563918573.db2.gz XFQSGMXUPVRKDU-HXUWFJFHSA-N 1 0 344.414 3.570 50 0 EHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000269242546 563920708 /nfs/dbraw/zinc/92/07/08/563920708.db2.gz CUEVRMZPALJCFS-YPMHNXCESA-N 1 0 329.271 3.512 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000269285196 563920945 /nfs/dbraw/zinc/92/09/45/563920945.db2.gz SBFMMXKIVZUZAG-DRABBMOASA-N 1 0 341.282 3.683 50 0 EHAARO C[C@@H](Cc1ccccc1F)[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000048121617 563930031 /nfs/dbraw/zinc/93/00/31/563930031.db2.gz RXOOVKAVHCLXAY-AWEZNQCLSA-N 1 0 328.435 3.563 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N(Cc2ccncc2)[C@H](C)CC)CC1 ZINC000055253093 563934192 /nfs/dbraw/zinc/93/41/92/563934192.db2.gz DECXUKNPERYIBB-QGZVFWFLSA-N 1 0 331.504 3.721 50 0 EHAARO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000058146398 563937723 /nfs/dbraw/zinc/93/77/23/563937723.db2.gz HZGQMYCJXWVULO-GFCCVEGCSA-N 1 0 334.366 3.571 50 0 EHAARO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCc2cccs2)CC1 ZINC000058208706 563939865 /nfs/dbraw/zinc/93/98/65/563939865.db2.gz AMFIDWZVKLKTNV-UHFFFAOYSA-N 1 0 349.887 3.690 50 0 EHAARO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000058264238 563941087 /nfs/dbraw/zinc/94/10/87/563941087.db2.gz DCWSVYWBEOFZRE-CQSZACIVSA-N 1 0 345.439 3.962 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1c(C)noc1C(C)C)c1ccco1 ZINC000058278956 563941467 /nfs/dbraw/zinc/94/14/67/563941467.db2.gz DIOALPIUSUYCFW-CQSZACIVSA-N 1 0 333.432 3.512 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C)c1 ZINC000059744600 563949319 /nfs/dbraw/zinc/94/93/19/563949319.db2.gz LVHQGMXFEAFZEM-PMACEKPBSA-N 1 0 325.452 3.880 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccco1 ZINC000060156846 563949769 /nfs/dbraw/zinc/94/97/69/563949769.db2.gz GAYFTOUMVJCLNT-CQSZACIVSA-N 1 0 338.810 3.885 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)c1 ZINC000096477371 563954933 /nfs/dbraw/zinc/95/49/33/563954933.db2.gz TYCHNYWHNSWPBM-BTYIYWSLSA-N 1 0 338.451 3.520 50 0 EHAARO COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1OC1CCCC1 ZINC000096477079 563955079 /nfs/dbraw/zinc/95/50/79/563955079.db2.gz BLRRURKHTIOCPP-AWEZNQCLSA-N 1 0 329.444 3.601 50 0 EHAARO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1 ZINC000096478518 563955113 /nfs/dbraw/zinc/95/51/13/563955113.db2.gz VAMJGZVKODYWBY-KFWWJZLASA-N 1 0 329.488 3.758 50 0 EHAARO Cc1cc(OC(C)C)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000096491382 563955612 /nfs/dbraw/zinc/95/56/12/563955612.db2.gz YCOPALBNBYRKSH-KRWDZBQOSA-N 1 0 345.487 3.732 50 0 EHAARO Cc1oc(-c2ccoc2)nc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000064143608 563956582 /nfs/dbraw/zinc/95/65/82/563956582.db2.gz QJERIBVMKIUPIR-UHFFFAOYSA-N 1 0 337.423 3.955 50 0 EHAARO Cc1cccnc1[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)C1CC1 ZINC000065371490 563958483 /nfs/dbraw/zinc/95/84/83/563958483.db2.gz ZUPGNWQFXLSONC-FQEVSTJZSA-N 1 0 329.488 3.660 50 0 EHAARO CC(C)n1cc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065387519 563959388 /nfs/dbraw/zinc/95/93/88/563959388.db2.gz GDXHDQLGWJNQJZ-FCHUYYIVSA-N 1 0 349.478 3.968 50 0 EHAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C[C@H]2O)c1 ZINC000065453017 563961080 /nfs/dbraw/zinc/96/10/80/563961080.db2.gz HIIWGZUQNOAUQP-RBBKRZOGSA-N 1 0 348.446 3.594 50 0 EHAARO C[C@@H](c1ccc(-c2ccc3sc(N)nc3c2)cc1)[NH+]1CCOCC1 ZINC000065491876 563961477 /nfs/dbraw/zinc/96/14/77/563961477.db2.gz HAIWZZQJZKZOHC-ZDUSSCGKSA-N 1 0 339.464 3.939 50 0 EHAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000067694861 563962557 /nfs/dbraw/zinc/96/25/57/563962557.db2.gz RNZKMMRPVHSDSI-INIZCTEOSA-N 1 0 325.456 3.601 50 0 EHAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@@H]1CCOC1)CCO2 ZINC000067712865 563962558 /nfs/dbraw/zinc/96/25/58/563962558.db2.gz BYFNJFAWBSZCFA-INIZCTEOSA-N 1 0 339.435 3.599 50 0 EHAARO Cc1ccsc1-c1nc(CN(C)Cc2cnn(C)c2C)c(C)o1 ZINC000067757350 563962649 /nfs/dbraw/zinc/96/26/49/563962649.db2.gz RUFQTVFMPBDIKO-UHFFFAOYSA-N 1 0 330.457 3.694 50 0 EHAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc2c(c1)OCCO2 ZINC000067869020 563962926 /nfs/dbraw/zinc/96/29/26/563962926.db2.gz HJAUBVNDKXVKJY-UHFFFAOYSA-N 1 0 341.407 3.855 50 0 EHAARO CN(C)Cc1cncc(Oc2ccc(C[NH+]3CCCC3)cc2Cl)n1 ZINC000067947594 563963060 /nfs/dbraw/zinc/96/30/60/563963060.db2.gz COHOMVMKLQWJKW-UHFFFAOYSA-N 1 0 346.862 3.580 50 0 EHAARO Cc1cccc(Cl)c1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067983180 563963226 /nfs/dbraw/zinc/96/32/26/563963226.db2.gz WXNNUQJUWXEFGE-HNNXBMFYSA-N 1 0 346.858 3.883 50 0 EHAARO CC(C)c1noc(CC[NH2+]Cc2cc(Cl)cc3cccnc32)n1 ZINC000097016233 563966737 /nfs/dbraw/zinc/96/67/37/563966737.db2.gz WLUFJMXVORGVMY-UHFFFAOYSA-N 1 0 330.819 3.727 50 0 EHAARO CC(C)SCc1cccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000097101570 563967721 /nfs/dbraw/zinc/96/77/21/563967721.db2.gz YLBMCOQCUXUIKL-INIZCTEOSA-N 1 0 335.517 3.744 50 0 EHAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000097232106 563970747 /nfs/dbraw/zinc/97/07/47/563970747.db2.gz IYZUBVFXRPFSIQ-GLJUWKHASA-N 1 0 327.428 3.673 50 0 EHAARO Cc1nccc(-c2ccccc2)c1C(=O)N1CCCC[C@H]([NH+](C)C)C1 ZINC000082126098 563972507 /nfs/dbraw/zinc/97/25/07/563972507.db2.gz UNWXNTSNAGKXMP-SFHVURJKSA-N 1 0 337.467 3.613 50 0 EHAARO O=C1Nc2ccccc2NC12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000082126220 563972522 /nfs/dbraw/zinc/97/25/22/563972522.db2.gz VOVJXXUXSFIYBX-RMKNXTFCSA-N 1 0 333.435 3.599 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)c1c(C)n(C)c2ccc(OC)cc21 ZINC000004808404 563974890 /nfs/dbraw/zinc/97/48/90/563974890.db2.gz OLWUUVWJTYTMDB-OAHLLOKOSA-N 1 0 328.456 3.943 50 0 EHAARO c1ccc(CC[N@@H+]2CCC[C@H](CNc3cc(C4CC4)ncn3)C2)cc1 ZINC000091486116 563975415 /nfs/dbraw/zinc/97/54/15/563975415.db2.gz BMVDXCNOCGNPGY-GOSISDBHSA-N 1 0 336.483 3.721 50 0 EHAARO c1ccc2c(CN3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)ccnc2c1 ZINC000095357733 563976714 /nfs/dbraw/zinc/97/67/14/563976714.db2.gz FAUYWILNCWBOML-AZUAARDMSA-N 1 0 335.495 3.931 50 0 EHAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)cc(C)[nH+]1 ZINC000095509228 563977222 /nfs/dbraw/zinc/97/72/22/563977222.db2.gz XCSYIMUGQXIACN-SFHVURJKSA-N 1 0 347.466 3.722 50 0 EHAARO C[C@H](c1cncs1)N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095516514 563977316 /nfs/dbraw/zinc/97/73/16/563977316.db2.gz AUGCQWVNZCFVSK-OAHLLOKOSA-N 1 0 343.496 3.962 50 0 EHAARO Cc1cccc(-c2ncc(C[N@@H+]3CC[C@@](O)(c4ccccc4)C3)cn2)c1 ZINC000097173025 563981328 /nfs/dbraw/zinc/98/13/28/563981328.db2.gz PIYHTYWGSWMEAR-QFIPXVFZSA-N 1 0 345.446 3.546 50 0 EHAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cccc2c1N=S=N2 ZINC000247760754 563981445 /nfs/dbraw/zinc/98/14/45/563981445.db2.gz HEWPZQCHYVQYIP-STQMWFEESA-N 1 0 330.457 3.864 50 0 EHAARO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4ccncn4)C3)c(C)c2c1 ZINC000097475579 563981594 /nfs/dbraw/zinc/98/15/94/563981594.db2.gz YORXTDFBTRVSDO-HNNXBMFYSA-N 1 0 336.439 3.655 50 0 EHAARO Cc1cncnc1C1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000097514267 563981625 /nfs/dbraw/zinc/98/16/25/563981625.db2.gz ZUKIPTGCLDCHFR-UHFFFAOYSA-N 1 0 337.467 3.878 50 0 EHAARO C[C@@H](c1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)o1)[NH+]1CCCCC1 ZINC000097547838 563981650 /nfs/dbraw/zinc/98/16/50/563981650.db2.gz STHZSMHRBTYMBI-IECFSIQFSA-N 1 0 342.483 3.945 50 0 EHAARO [NH3+][C@H]1CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000100006171 563982258 /nfs/dbraw/zinc/98/22/58/563982258.db2.gz RNVLKSOXBSATJW-GASCZTMLSA-N 1 0 336.435 3.795 50 0 EHAARO COc1cccc(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000000261494 563989682 /nfs/dbraw/zinc/98/96/82/563989682.db2.gz HTZNOOOECSKLST-UHFFFAOYSA-N 1 0 349.544 3.975 50 0 EHAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)cc1 ZINC000000261943 563989730 /nfs/dbraw/zinc/98/97/30/563989730.db2.gz RVARWBRIQJHLHT-INIZCTEOSA-N 1 0 342.512 3.712 50 0 EHAARO CC1CCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000000317702 563991033 /nfs/dbraw/zinc/99/10/33/563991033.db2.gz QNRHKSZNPGFUGL-UHFFFAOYSA-N 1 0 328.500 3.590 50 0 EHAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000000317540 564000183 /nfs/dbraw/zinc/00/01/83/564000183.db2.gz ITMUUYUFCGMYGA-QGZVFWFLSA-N 1 0 328.500 3.720 50 0 EHAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)cs2)cc1 ZINC000136251411 564002457 /nfs/dbraw/zinc/00/24/57/564002457.db2.gz MXWVWZFUMHLFOA-QGZVFWFLSA-N 1 0 346.496 3.944 50 0 EHAARO CC(=O)Nc1ccc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272708337 564007466 /nfs/dbraw/zinc/00/74/66/564007466.db2.gz BZZQQXKWJHKOQG-APWZRJJASA-N 1 0 337.467 3.968 50 0 EHAARO CSCC[C@H]([NH2+][C@H]1CCC12CCCC2)c1nnc2ccccn21 ZINC000189047653 564014566 /nfs/dbraw/zinc/01/45/66/564014566.db2.gz NNEGYBILKXPAAR-GJZGRUSLSA-N 1 0 330.501 3.836 50 0 EHAARO Cc1ccc2cc(C[NH2+]C3CCC(O)(c4cccnc4)CC3)ccc2n1 ZINC000189436362 564015379 /nfs/dbraw/zinc/01/53/79/564015379.db2.gz JGRPMRHCZSKVEI-UHFFFAOYSA-N 1 0 347.462 3.858 50 0 EHAARO Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000047703430 564029646 /nfs/dbraw/zinc/02/96/46/564029646.db2.gz PLTRTADFXQHRRF-UHFFFAOYSA-N 1 0 341.430 3.920 50 0 EHAARO Cc1nccn1-c1ccc(N2CCC([NH2+][C@@H](C)C(C)C)CC2)cc1 ZINC000048140004 564029969 /nfs/dbraw/zinc/02/99/69/564029969.db2.gz XWJJRDWXAMUSNG-INIZCTEOSA-N 1 0 326.488 3.784 50 0 EHAARO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000048324672 564030946 /nfs/dbraw/zinc/03/09/46/564030946.db2.gz VVPOMHSNSMJCJW-IEBWSBKVSA-N 1 0 330.472 3.623 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccco3)C3CCCC3)nc12 ZINC000048375248 564031669 /nfs/dbraw/zinc/03/16/69/564031669.db2.gz KCJMPLDXGXDYTP-UHFFFAOYSA-N 1 0 337.423 3.541 50 0 EHAARO [NH3+]C1CC(c2cc(NCc3ccc(Cl)cc3)nc(C3CC3)n2)C1 ZINC000223522794 564040284 /nfs/dbraw/zinc/04/02/84/564040284.db2.gz LHJJRBZJUVMFAZ-UHFFFAOYSA-N 1 0 328.847 3.824 50 0 EHAARO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1O ZINC000225424602 564046572 /nfs/dbraw/zinc/04/65/72/564046572.db2.gz IHJHWGUWYOBRFJ-YOEHRIQHSA-N 1 0 327.424 3.835 50 0 EHAARO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000449234619 564052435 /nfs/dbraw/zinc/05/24/35/564052435.db2.gz QWXOEAVIEZGGKX-BODMPHMZSA-N 1 0 342.462 3.813 50 0 EHAARO Cc1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)on1 ZINC000052723134 564056302 /nfs/dbraw/zinc/05/63/02/564056302.db2.gz JPPBGGONZJQKNY-UHFFFAOYSA-N 1 0 347.462 3.890 50 0 EHAARO O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000534664738 564061565 /nfs/dbraw/zinc/06/15/65/564061565.db2.gz NNYHOOMOPHIAKH-SQNIBIBYSA-N 1 0 342.458 3.509 50 0 EHAARO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000012677660 564062603 /nfs/dbraw/zinc/06/26/03/564062603.db2.gz ZVTMLENBTMQCPD-XOBRGWDASA-N 1 0 336.435 3.957 50 0 EHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(F)cc2F)cn1 ZINC000083843421 564063719 /nfs/dbraw/zinc/06/37/19/564063719.db2.gz MNJBLLBNCYASMK-ZJNRKIDTSA-N 1 0 335.398 3.610 50 0 EHAARO C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2SCc2ccsc2)C1 ZINC000083877847 564064124 /nfs/dbraw/zinc/06/41/24/564064124.db2.gz CHLHVOLLEVJOIO-OAHLLOKOSA-N 1 0 346.521 3.864 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000084205256 564067391 /nfs/dbraw/zinc/06/73/91/564067391.db2.gz JHWZQPMGEBSWFZ-RDJZCZTQSA-N 1 0 328.481 3.898 50 0 EHAARO Cc1nnc2n1C[C@@H](C[NH2+]Cc1cc(-c3cccs3)cs1)CC2 ZINC000084296918 564067719 /nfs/dbraw/zinc/06/77/19/564067719.db2.gz UWKPJHWPDIWHJH-CYBMUJFWSA-N 1 0 344.509 3.729 50 0 EHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000084398270 564068039 /nfs/dbraw/zinc/06/80/39/564068039.db2.gz BLBSXZHLCYQPAC-MRXNPFEDSA-N 1 0 328.435 3.523 50 0 EHAARO O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000084514508 564068422 /nfs/dbraw/zinc/06/84/22/564068422.db2.gz AJRMMHNVNDSNII-HNNXBMFYSA-N 1 0 342.414 3.786 50 0 EHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=S)NC2CCCCC2)C1 ZINC000084656486 564069464 /nfs/dbraw/zinc/06/94/64/564069464.db2.gz ZIMFDRZGALDRAC-YJBOKZPZSA-N 1 0 331.529 3.619 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000084736379 564069949 /nfs/dbraw/zinc/06/99/49/564069949.db2.gz JURFAVRHTWMNKQ-MAUKXSAKSA-N 1 0 327.472 3.541 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000084736284 564069959 /nfs/dbraw/zinc/06/99/59/564069959.db2.gz HNAQZVZEVSKJPX-KDOFPFPSSA-N 1 0 346.446 3.945 50 0 EHAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000084811868 564070361 /nfs/dbraw/zinc/07/03/61/564070361.db2.gz PHMDZWVVBPCUJP-UKRRQHHQSA-N 1 0 340.539 3.608 50 0 EHAARO COc1ccc(C2([NH2+]Cc3ccc([S@@](C)=O)cc3)CCCC2)cc1 ZINC000085325031 564072708 /nfs/dbraw/zinc/07/27/08/564072708.db2.gz AHGSAXQATPTUMT-DEOSSOPVSA-N 1 0 343.492 3.992 50 0 EHAARO Cc1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)s1 ZINC000086258420 564075471 /nfs/dbraw/zinc/07/54/71/564075471.db2.gz CLZGPHAZAVFSQO-UHFFFAOYSA-N 1 0 330.497 3.873 50 0 EHAARO C[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCCC1 ZINC000053814319 564084097 /nfs/dbraw/zinc/08/40/97/564084097.db2.gz VMRIGXPIJFPMIP-LJQANCHMSA-N 1 0 328.481 3.828 50 0 EHAARO C[C@@H]([NH2+]C1CCSCC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000090605406 564084903 /nfs/dbraw/zinc/08/49/03/564084903.db2.gz KTZAIRKEMYJSLB-BEFAXECRSA-N 1 0 335.513 3.797 50 0 EHAARO CSc1ccc(NC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000004748734 564093151 /nfs/dbraw/zinc/09/31/51/564093151.db2.gz YJFVNNCYAHNNJN-UHFFFAOYSA-N 1 0 341.480 3.588 50 0 EHAARO CO[C@]12CC[N@H+](Cc3[nH]c4c(cccc4Cl)c3C)[C@H]1C[C@H](O)CC2 ZINC000426420061 564093680 /nfs/dbraw/zinc/09/36/80/564093680.db2.gz JUDNNKYJKUKZPZ-XVGQJIODSA-N 1 0 348.874 3.634 50 0 EHAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)cc1 ZINC000426465438 564093785 /nfs/dbraw/zinc/09/37/85/564093785.db2.gz KRCDSRVDNKENAM-INIZCTEOSA-N 1 0 328.843 3.960 50 0 EHAARO Cc1ccc(F)c(-c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)c1 ZINC000426470761 564093813 /nfs/dbraw/zinc/09/38/13/564093813.db2.gz AFTSYKNVTSLAKE-KRWDZBQOSA-N 1 0 326.415 3.577 50 0 EHAARO C[N@@H+]1CCC[C@H](NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000064657020 564094784 /nfs/dbraw/zinc/09/47/84/564094784.db2.gz DHHPTCWYCSUJNT-FQEVSTJZSA-N 1 0 348.490 3.791 50 0 EHAARO CC(C)c1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(O)c1 ZINC000064735981 564095773 /nfs/dbraw/zinc/09/57/73/564095773.db2.gz GQITWLMVAXWLTC-SOLBZPMBSA-N 1 0 344.499 3.993 50 0 EHAARO O=C(Nc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006699566 564096162 /nfs/dbraw/zinc/09/61/62/564096162.db2.gz OPILVPUGYFCOCT-UHFFFAOYSA-N 1 0 327.403 3.612 50 0 EHAARO CCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)ccc21 ZINC000006912762 564101253 /nfs/dbraw/zinc/10/12/53/564101253.db2.gz RLZMBNBNRWGAAL-HNNXBMFYSA-N 1 0 341.499 3.882 50 0 EHAARO Cc1ccccc1C[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000006939123 564101890 /nfs/dbraw/zinc/10/18/90/564101890.db2.gz HDOFRROIMWWDHC-SFHVURJKSA-N 1 0 333.859 3.658 50 0 EHAARO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000170073640 564105312 /nfs/dbraw/zinc/10/53/12/564105312.db2.gz ITGYEGBVCFBUDO-AUSJPIAWSA-N 1 0 338.451 3.538 50 0 EHAARO Cc1nn(C)c(Cl)c1C[NH2+]CC1(c2ccccc2C)CCOCC1 ZINC000065464512 564106175 /nfs/dbraw/zinc/10/61/75/564106175.db2.gz HOWMISDQVSMZDI-UHFFFAOYSA-N 1 0 347.890 3.528 50 0 EHAARO O=c1oc2ccccc2n1CCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000065607962 564108241 /nfs/dbraw/zinc/10/82/41/564108241.db2.gz RDTVPBRZIIVNCC-QGZVFWFLSA-N 1 0 338.407 3.527 50 0 EHAARO C[C@H](NC(=O)CCc1cc(F)ccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000170597976 564109171 /nfs/dbraw/zinc/10/91/71/564109171.db2.gz XSYMRUPHKAAUKN-XOBRGWDASA-N 1 0 346.421 3.705 50 0 EHAARO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2o1 ZINC000089904648 564114984 /nfs/dbraw/zinc/11/49/84/564114984.db2.gz KDFICFLIEHHRRR-AWEZNQCLSA-N 1 0 338.407 3.981 50 0 EHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000076057397 564115035 /nfs/dbraw/zinc/11/50/35/564115035.db2.gz ZLWADQUDGPXTNT-CJNGLKHVSA-N 1 0 342.405 3.688 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)c(C)n1 ZINC000090044361 564116184 /nfs/dbraw/zinc/11/61/84/564116184.db2.gz VCWDSGBGAPVFIP-GFCCVEGCSA-N 1 0 339.468 3.505 50 0 EHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000237489632 564117712 /nfs/dbraw/zinc/11/77/12/564117712.db2.gz GKMISEYKBZRDSK-RISCZKNCSA-N 1 0 343.858 3.717 50 0 EHAARO c1ccc(Cc2noc([C@@]34CCC[C@@H]3CN(c3ccccn3)C4)n2)cc1 ZINC000366616105 564117847 /nfs/dbraw/zinc/11/78/47/564117847.db2.gz CMOWNPJWOCDQMF-DYESRHJHSA-N 1 0 346.434 3.614 50 0 EHAARO CCCOc1cccc(NC(=O)N(CC)CCC[NH+]2CCCC2)c1 ZINC000252494935 564119682 /nfs/dbraw/zinc/11/96/82/564119682.db2.gz OIMWTMWANRMILU-UHFFFAOYSA-N 1 0 333.476 3.815 50 0 EHAARO c1sc(-c2ccccc2)nc1CN1CC[NH+](CCC2CC2)CC1 ZINC000170645355 564120184 /nfs/dbraw/zinc/12/01/84/564120184.db2.gz UZFVPTRNNMAZGM-UHFFFAOYSA-N 1 0 327.497 3.728 50 0 EHAARO CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)c1 ZINC000170669711 564121295 /nfs/dbraw/zinc/12/12/95/564121295.db2.gz FLINBAKRUVPXLE-CVEARBPZSA-N 1 0 340.467 3.727 50 0 EHAARO C[C@@H](C[NH3+])CC(=O)NC1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000170677985 564121410 /nfs/dbraw/zinc/12/14/10/564121410.db2.gz MCIYUPZTIIOIPU-XEBKBJJBSA-N 1 0 340.920 3.844 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(O)c1 ZINC000194875053 564122368 /nfs/dbraw/zinc/12/23/68/564122368.db2.gz OOOKTWBSWLBBLV-OAHLLOKOSA-N 1 0 347.418 3.890 50 0 EHAARO Cc1cc([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)ccc1Br ZINC000195553811 564123749 /nfs/dbraw/zinc/12/37/49/564123749.db2.gz SDADPSNBFJASEF-OAVHHTNSSA-N 1 0 332.307 3.565 50 0 EHAARO Cc1ccc(Sc2ccccc2C(=O)N2CCN(C)CC2)cc1 ZINC000000347467 564130175 /nfs/dbraw/zinc/13/01/75/564130175.db2.gz WMUVQWLPJIFRAV-UHFFFAOYSA-N 1 0 326.465 3.534 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000253415989 564130771 /nfs/dbraw/zinc/13/07/71/564130771.db2.gz YLMYBQLPGCQTPI-CQSZACIVSA-N 1 0 330.472 3.909 50 0 EHAARO CCc1nc(C)cc(N2CCC[C@H]2c2cc(OC)ccc2OC)n1 ZINC000253419300 564130942 /nfs/dbraw/zinc/13/09/42/564130942.db2.gz LDPLZPMQXSAKRK-INIZCTEOSA-N 1 0 327.428 3.706 50 0 EHAARO O=C(Oc1ccccc1)N1CCC[N@@H+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253432097 564131896 /nfs/dbraw/zinc/13/18/96/564131896.db2.gz ZUTFTZCHIRQVDA-PMACEKPBSA-N 1 0 336.435 3.749 50 0 EHAARO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000093010305 564136905 /nfs/dbraw/zinc/13/69/05/564136905.db2.gz OMTPVOLLOLHFMR-FZKQIMNGSA-N 1 0 342.439 3.699 50 0 EHAARO CC(C)Cc1nnc([C@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)o1 ZINC000078921896 564137387 /nfs/dbraw/zinc/13/73/87/564137387.db2.gz VZGFLBWYELKZCD-KRWDZBQOSA-N 1 0 342.487 3.537 50 0 EHAARO O=C(NCc1ccco1)c1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000095420528 564139913 /nfs/dbraw/zinc/13/99/13/564139913.db2.gz IGWVFLWVKAMOQW-OAQYLSRUSA-N 1 0 346.430 3.987 50 0 EHAARO Fc1ccc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C2CC2)cc1 ZINC000095422189 564140026 /nfs/dbraw/zinc/14/00/26/564140026.db2.gz UNCNGUSVVOBZHH-OAQYLSRUSA-N 1 0 339.458 3.926 50 0 EHAARO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000095462667 564140838 /nfs/dbraw/zinc/14/08/38/564140838.db2.gz CQZYOJDVADKFSY-IBGZPJMESA-N 1 0 343.492 3.764 50 0 EHAARO CNC(=O)C(C)(C)C[NH2+][C@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 ZINC000095462768 564140881 /nfs/dbraw/zinc/14/08/81/564140881.db2.gz WMFHJNITOKUVTI-KRWDZBQOSA-N 1 0 346.515 3.868 50 0 EHAARO O=C(Nc1cccc(N2CCCCCC2)c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000095939788 564141948 /nfs/dbraw/zinc/14/19/48/564141948.db2.gz HQUWOMKPZMFGPN-FQEVSTJZSA-N 1 0 341.499 3.880 50 0 EHAARO C[C@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)Cc1cccs1 ZINC000095968543 564143198 /nfs/dbraw/zinc/14/31/98/564143198.db2.gz DOGVSJXVDJSHNH-INIZCTEOSA-N 1 0 329.513 3.576 50 0 EHAARO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1cncc(F)c1 ZINC000095968626 564143273 /nfs/dbraw/zinc/14/32/73/564143273.db2.gz JIYNKOMJAHWFOF-FCLXEUQJSA-N 1 0 349.450 3.802 50 0 EHAARO Cc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)c(OCc2ccco2)c1 ZINC000095969182 564143353 /nfs/dbraw/zinc/14/33/53/564143353.db2.gz PHLQUWYFZFGTGQ-OAHLLOKOSA-N 1 0 325.412 3.751 50 0 EHAARO C[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1nc2c(s1)CCCC2 ZINC000095988207 564144063 /nfs/dbraw/zinc/14/40/63/564144063.db2.gz RKULYURLJNUJLU-KGLIPLIRSA-N 1 0 336.501 3.748 50 0 EHAARO c1ccc(O[C@@H](C[NH+]2CCC3(CC2)OCCO3)c2ccccc2)cc1 ZINC000096027161 564144992 /nfs/dbraw/zinc/14/49/92/564144992.db2.gz YJLZPVREJZWXBF-FQEVSTJZSA-N 1 0 339.435 3.646 50 0 EHAARO O=C(CSC1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000096098343 564145207 /nfs/dbraw/zinc/14/52/07/564145207.db2.gz IKBGMWMYIJFNBZ-UHFFFAOYSA-N 1 0 346.540 3.691 50 0 EHAARO CSc1ccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)cc1 ZINC000096402787 564147133 /nfs/dbraw/zinc/14/71/33/564147133.db2.gz JORAYOQBNHIWOB-UHFFFAOYSA-N 1 0 341.524 3.600 50 0 EHAARO Cc1[nH]c2ccc(C)cc2c1[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000021793239 564148287 /nfs/dbraw/zinc/14/82/87/564148287.db2.gz POMXRVQCPSRLPL-OAQYLSRUSA-N 1 0 349.478 3.640 50 0 EHAARO CC1(C(=O)Nc2cccc(O)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000156996138 564148946 /nfs/dbraw/zinc/14/89/46/564148946.db2.gz JFMIPWXTAIHICI-UHFFFAOYSA-N 1 0 342.414 3.772 50 0 EHAARO CC(C)c1cc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)on1 ZINC000097084538 564149359 /nfs/dbraw/zinc/14/93/59/564149359.db2.gz OIUWGWGZSCGZQR-AWEZNQCLSA-N 1 0 337.464 3.677 50 0 EHAARO CC[NH+](CC)Cc1ccccc1NCC(=O)Nc1cc(F)ccc1F ZINC000055869642 564150963 /nfs/dbraw/zinc/15/09/63/564150963.db2.gz ODVGQAWVMFLOQQ-UHFFFAOYSA-N 1 0 347.409 3.857 50 0 EHAARO CCCC[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000002660212 564152046 /nfs/dbraw/zinc/15/20/46/564152046.db2.gz CHVOWXWAJUQTSR-PZJWPPBQSA-N 1 0 327.468 3.852 50 0 EHAARO C[NH+](C)[C@@H](CNc1ncnc2sc3c(c21)CCC3)c1ccccc1 ZINC000003319331 564157298 /nfs/dbraw/zinc/15/72/98/564157298.db2.gz DHSGXKTVYPBQAS-HNNXBMFYSA-N 1 0 338.480 3.895 50 0 EHAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@@H](c4ccncn4)C3)CC2)cc1 ZINC000670450082 564159403 /nfs/dbraw/zinc/15/94/03/564159403.db2.gz SMVYXGIJLHWNFZ-GOSISDBHSA-N 1 0 336.483 3.633 50 0 EHAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH2+]Cc1cccnc1 ZINC000003999483 564159939 /nfs/dbraw/zinc/15/99/39/564159939.db2.gz MOUSYVFBLROHHX-VGUOSERISA-N 1 0 340.467 3.630 50 0 biogenic EHAARO COc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004028936 564160123 /nfs/dbraw/zinc/16/01/23/564160123.db2.gz ADEAJUYOXKASHF-HRPDOCRFSA-N 1 0 329.440 3.516 50 0 biogenic EHAARO Cc1cc(-n2c(C)cc(C[NH2+]Cc3nc4ccccc4[nH]3)c2C)no1 ZINC000007984390 564161782 /nfs/dbraw/zinc/16/17/82/564161782.db2.gz FLOIWJZDPGBDQJ-UHFFFAOYSA-N 1 0 335.411 3.557 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2cccc2)cc1 ZINC000008163295 564163281 /nfs/dbraw/zinc/16/32/81/564163281.db2.gz QSDKBCPMRZOXRV-IBGZPJMESA-N 1 0 349.434 3.637 50 0 EHAARO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000067011491 564164920 /nfs/dbraw/zinc/16/49/20/564164920.db2.gz SWCAPOUUTQCCTG-UHFFFAOYSA-N 1 0 336.357 3.829 50 0 EHAARO COC(C)(C)CCC[C@H](C)CC[NH+]1CCC2(CCC(=O)NC2)CC1 ZINC000670472040 564165406 /nfs/dbraw/zinc/16/54/06/564165406.db2.gz GRTXGDYYDHQTDC-KRWDZBQOSA-N 1 0 338.536 3.600 50 0 EHAARO CC(C)c1noc(C2CC[NH+]([C@H]3CCN(c4ccccc4)C3)CC2)n1 ZINC000670472790 564166121 /nfs/dbraw/zinc/16/61/21/564166121.db2.gz UORXSBVCUZDREA-SFHVURJKSA-N 1 0 340.471 3.651 50 0 EHAARO CCCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008717195 564166712 /nfs/dbraw/zinc/16/67/12/564166712.db2.gz LYEHLNSUCMNMEH-UHFFFAOYSA-N 1 0 342.439 3.802 50 0 EHAARO Cc1ccc(C[N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)c(C)c1 ZINC000039990621 564167795 /nfs/dbraw/zinc/16/77/95/564167795.db2.gz YRDAXHZYUONGBO-UHFFFAOYSA-N 1 0 341.842 3.597 50 0 EHAARO O=C(CC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000040086099 564167945 /nfs/dbraw/zinc/16/79/45/564167945.db2.gz JENPBUFBOQEJCN-QFIPXVFZSA-N 1 0 345.446 3.922 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccsc1 ZINC000040107983 564168099 /nfs/dbraw/zinc/16/80/99/564168099.db2.gz ZMKBNANAXSSGSI-MRXNPFEDSA-N 1 0 338.423 3.839 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1F ZINC000009315895 564172609 /nfs/dbraw/zinc/17/26/09/564172609.db2.gz SXFOZTKIHIRWJG-MRXNPFEDSA-N 1 0 331.391 3.767 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000010017770 564175016 /nfs/dbraw/zinc/17/50/16/564175016.db2.gz QAFZGWVABSZAJO-NRFANRHFSA-N 1 0 332.447 3.801 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)c(C)c1OC ZINC000288377874 1016325091 /nfs/dbraw/zinc/32/50/91/1016325091.db2.gz FTCLNWMIEUEDBN-CYBMUJFWSA-N 1 0 325.412 3.739 50 0 EHAARO C[C@H](Cc1ccsc1)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175983357 1020530385 /nfs/dbraw/zinc/53/03/85/1020530385.db2.gz PGTPQFMIZNYFHB-CQSZACIVSA-N 1 0 337.533 3.583 50 0 EHAARO CCCN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@@H]1CC[NH2+]C1 ZINC000178905003 1024653539 /nfs/dbraw/zinc/65/35/39/1024653539.db2.gz FONPSCQOUGFLDY-OAHLLOKOSA-N 1 0 344.430 3.619 50 0 EHAARO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000066870199 1026739902 /nfs/dbraw/zinc/73/99/02/1026739902.db2.gz AGDVTBMFHQMSFL-LJQANCHMSA-N 1 0 329.465 3.647 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc3cc[nH]c32)CC1 ZINC000079924741 1028529199 /nfs/dbraw/zinc/52/91/99/1028529199.db2.gz ZJUDBYOPVCHLQA-UHFFFAOYSA-N 1 0 348.450 3.926 50 0 EHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C/C(C)=C/c2ccccc2)cn1 ZINC000083843449 1031227935 /nfs/dbraw/zinc/22/79/35/1031227935.db2.gz RCXIICJEUSNGQJ-MYMNMTBVSA-N 1 0 325.456 3.674 50 0 EHAARO CCOc1ccccc1N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000023282511 1034789891 /nfs/dbraw/zinc/78/98/91/1034789891.db2.gz NNZUCTGFHNDEEH-FQEVSTJZSA-N 1 0 336.479 3.765 50 0 EHAARO CCOc1ccccc1CN1CCO[C@@H](COC)[C@@H]1c1ccccc1 ZINC000581804365 1035605904 /nfs/dbraw/zinc/60/59/04/1035605904.db2.gz MXJOWQTWCZBUIZ-SFTDATJTSA-N 1 0 341.451 3.674 50 0 EHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C/C(C)=C\c2ccccc2)cn1 ZINC000098052814 1039327173 /nfs/dbraw/zinc/32/71/73/1039327173.db2.gz RCXIICJEUSNGQJ-FDCPNGPTSA-N 1 0 325.456 3.674 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1cccs1)c1ccccc1 ZINC000096943757 1039595470 /nfs/dbraw/zinc/59/54/70/1039595470.db2.gz SAMPQRGSUFBHED-MENFKHAKSA-N 1 0 328.481 3.961 50 0 EHAARO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000330877611 1040888269 /nfs/dbraw/zinc/88/82/69/1040888269.db2.gz XPNBYKIRIXCQFW-SJLPKXTDSA-N 1 0 332.488 3.526 50 0 EHAARO CN(C(=O)/C=C\c1cc(C(F)(F)F)ccc1Cl)C1CC[NH2+]CC1 ZINC000493155391 1041089183 /nfs/dbraw/zinc/08/91/83/1041089183.db2.gz MZTHVBZMUQNZGT-DJWKRKHSSA-N 1 0 346.780 3.582 50 0 EHAARO COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000299510745 1041393295 /nfs/dbraw/zinc/39/32/95/1041393295.db2.gz NXFXEAFLZNHASQ-INIZCTEOSA-N 1 0 326.396 3.520 50 0 EHAARO Cc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)ccc1Oc1cccnc1 ZINC000119516935 1044003188 /nfs/dbraw/zinc/00/31/88/1044003188.db2.gz QJNRQZYYTGOMGO-GOSISDBHSA-N 1 0 349.438 3.611 50 0 EHAARO COCc1nc2cccnc2n1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000011789860 1128097818 /nfs/dbraw/zinc/09/78/18/1128097818.db2.gz HXYXQGPISOBKAV-MRXNPFEDSA-N 1 0 340.471 3.571 50 0 EHAARO Clc1ccc2[nH]c(CC[NH2+][C@H]3CCN(c4ccccc4)C3)nc2c1 ZINC000825573680 1131281853 /nfs/dbraw/zinc/28/18/53/1131281853.db2.gz DZKSJEYDHXENRC-HNNXBMFYSA-N 1 0 340.858 3.627 50 0 EHAARO Cc1ccc2occ(CN3Cc4ccccc4O[C@H](C)C3)c(=O)c2c1 ZINC000011999722 1129250436 /nfs/dbraw/zinc/25/04/36/1129250436.db2.gz BDFGDTYUOAPMPK-OAHLLOKOSA-N 1 0 335.403 3.885 50 0 EHAARO CC1(C)C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000827763327 1131405283 /nfs/dbraw/zinc/40/52/83/1131405283.db2.gz HHPHDNNIAWYTIQ-INIZCTEOSA-N 1 0 330.472 3.816 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H](C)n1cccn1 ZINC000069368769 1130197104 /nfs/dbraw/zinc/19/71/04/1130197104.db2.gz GZFMWPFVHNFBDW-SJORKVTESA-N 1 0 336.439 3.596 50 0 EHAARO Cc1nn(C)c(C(=O)Nc2ccccc2C[NH+]2CCCCC2)c1Cl ZINC000828209886 1131426898 /nfs/dbraw/zinc/42/68/98/1131426898.db2.gz DAFKQKZNICUMKZ-UHFFFAOYSA-N 1 0 346.862 3.620 50 0 EHAARO COC1CC[NH+](C[C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000581788106 1132356733 /nfs/dbraw/zinc/35/67/33/1132356733.db2.gz SVZQFUHYQLRGFU-SFHVURJKSA-N 1 0 345.487 3.574 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000581806881 1132369913 /nfs/dbraw/zinc/36/99/13/1132369913.db2.gz BWFXKEBEXOFVLG-QGZVFWFLSA-N 1 0 329.488 3.888 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581808068 1132370528 /nfs/dbraw/zinc/37/05/28/1132370528.db2.gz WQQDQNVMHHUKOZ-MRXNPFEDSA-N 1 0 329.488 3.888 50 0 EHAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)c1cccs1)CCO2 ZINC000581819885 1132375132 /nfs/dbraw/zinc/37/51/32/1132375132.db2.gz GNEKHUAGPCVJDF-UHFFFAOYSA-N 1 0 344.480 3.625 50 0 EHAARO CN(C)C(=O)c1ccc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000585083877 1136971289 /nfs/dbraw/zinc/97/12/89/1136971289.db2.gz JALWDPVQMKLUOT-UHFFFAOYSA-N 1 0 338.451 3.562 50 0 EHAARO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 ZINC000585092639 1136994135 /nfs/dbraw/zinc/99/41/35/1136994135.db2.gz HQWMEICXIJVTKT-ZLOXQWCVSA-N 1 0 349.422 3.898 50 0 EHAARO COc1cccc2c1CC[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)C2 ZINC000192443233 1137455807 /nfs/dbraw/zinc/45/58/07/1137455807.db2.gz BPAZXKSGNZUKRA-NSHDSACASA-N 1 0 342.386 3.818 50 0 EHAARO CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000192613691 1137456161 /nfs/dbraw/zinc/45/61/61/1137456161.db2.gz WPICEEMRXJGZEB-ZDUSSCGKSA-N 1 0 334.510 3.605 50 0 EHAARO CC/C=C(/CN1CC[N@H+](CC(C)C)[C@@H](CCO)C1)c1ccccc1 ZINC000952862749 1137482903 /nfs/dbraw/zinc/48/29/03/1137482903.db2.gz QETZBHUXANWBJB-YBETYGMLSA-N 1 0 330.516 3.505 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCNc2ccc(C)cn2)cc1 ZINC000952962729 1137483740 /nfs/dbraw/zinc/48/37/40/1137483740.db2.gz FQEYLNNMHWRIDA-UHFFFAOYSA-N 1 0 335.455 3.680 50 0 EHAARO Cc1cc2c(cc1CN1CCOc3ccc(Cl)cc3C1)OCCO2 ZINC000952965811 1137483913 /nfs/dbraw/zinc/48/39/13/1137483913.db2.gz UPSLVUXVAOJIRH-UHFFFAOYSA-N 1 0 345.826 3.814 50 0 EHAARO CC(C)(C)c1ccc(OCc2nc([C@@H]3CC34CC[NH2+]CC4)n[nH]2)cc1 ZINC000952967592 1137484934 /nfs/dbraw/zinc/48/49/34/1137484934.db2.gz ZTMAWMDYAIGYIT-INIZCTEOSA-N 1 0 340.471 3.538 50 0 EHAARO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCCN(Cc3cccnc3)CC1)=CC2 ZINC000952984693 1137485289 /nfs/dbraw/zinc/48/52/89/1137485289.db2.gz MFELHUOOYXSNIQ-PMACEKPBSA-N 1 0 325.500 3.582 50 0 EHAARO c1ccc(C[NH+]2CCC(CNc3cnc4ccccc4n3)CC2)cc1 ZINC000063255611 214752008 /nfs/dbraw/zinc/75/20/08/214752008.db2.gz IIERLIAPGXYOPE-UHFFFAOYSA-N 1 0 332.451 3.954 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1nc2ccccc2s1 ZINC000010280927 201795850 /nfs/dbraw/zinc/79/58/50/201795850.db2.gz WZZICQLICCPKJH-UHFFFAOYSA-N 1 0 340.452 3.680 50 0 EHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1cccc(F)c1 ZINC000012154240 201829715 /nfs/dbraw/zinc/82/97/15/201829715.db2.gz RUYBRXWSCFZZAN-IBGZPJMESA-N 1 0 344.405 3.636 50 0 EHAARO OCC1(CCOc2ccccc2)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012300541 201836258 /nfs/dbraw/zinc/83/62/58/201836258.db2.gz IJRFBQHYRSGCEN-LJQANCHMSA-N 1 0 329.484 3.886 50 0 EHAARO CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C)on1 ZINC000014185258 201931407 /nfs/dbraw/zinc/93/14/07/201931407.db2.gz YDSXVBWYHDTLGJ-CYBMUJFWSA-N 1 0 341.333 3.509 50 0 EHAARO COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000019228468 202001403 /nfs/dbraw/zinc/00/14/03/202001403.db2.gz AFGIYTBFSNPSMM-QGZVFWFLSA-N 1 0 348.240 3.701 50 0 EHAARO Brc1cccc(C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000019293262 202001971 /nfs/dbraw/zinc/00/19/71/202001971.db2.gz KFXVVVPGODJCSG-UHFFFAOYSA-N 1 0 334.213 3.510 50 0 EHAARO OCC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1CC1CCCCC1 ZINC000020255644 202036842 /nfs/dbraw/zinc/03/68/42/202036842.db2.gz GOFVKQIQHMNQQN-JNKLARPZSA-N 1 0 342.527 3.649 50 0 EHAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000020781629 202055543 /nfs/dbraw/zinc/05/55/43/202055543.db2.gz SJKRNMBNNNMMAG-LJQANCHMSA-N 1 0 348.494 3.702 50 0 EHAARO O=C(Nc1ccc(F)cc1)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000021881777 202072916 /nfs/dbraw/zinc/07/29/16/202072916.db2.gz OZRLUPMOVOFVSG-UHFFFAOYSA-N 1 0 328.362 3.736 50 0 EHAARO OCC[C@@H]1CN(Cc2ccc3ccccc3c2)CC[N@@H+]1C1CCCC1 ZINC000023359202 202102942 /nfs/dbraw/zinc/10/29/42/202102942.db2.gz IEAFLVFADOKGFP-JOCHJYFZSA-N 1 0 338.495 3.651 50 0 EHAARO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000024614078 202118479 /nfs/dbraw/zinc/11/84/79/202118479.db2.gz XNGCBJDCXKBNBD-UHFFFAOYSA-N 1 0 342.870 3.868 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1F)c1ccsc1 ZINC000025331233 202129460 /nfs/dbraw/zinc/12/94/60/202129460.db2.gz AXTJWNSAYQCXQE-AWEZNQCLSA-N 1 0 326.824 3.573 50 0 EHAARO CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000025720133 202135879 /nfs/dbraw/zinc/13/58/79/202135879.db2.gz BXRXUOSHAUSXRT-INIZCTEOSA-N 1 0 332.469 3.570 50 0 EHAARO C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(Cl)cc1 ZINC000026860959 202149442 /nfs/dbraw/zinc/14/94/42/202149442.db2.gz VJRZWCCDBNQZKJ-NSHDSACASA-N 1 0 348.233 3.852 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000027582241 202157664 /nfs/dbraw/zinc/15/76/64/202157664.db2.gz BZOZQMVMVOXZGS-OAQYLSRUSA-N 1 0 336.479 3.881 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1OC)c1ccsc1 ZINC000031987837 202218615 /nfs/dbraw/zinc/21/86/15/202218615.db2.gz JECHPDARXMMTBM-MRXNPFEDSA-N 1 0 332.469 3.570 50 0 EHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3cccc(F)c3)c2)C1 ZINC000034670309 202275308 /nfs/dbraw/zinc/27/53/08/202275308.db2.gz BYSCMOKVXMUIQP-QGZVFWFLSA-N 1 0 342.414 3.663 50 0 EHAARO CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](CCC(C)C)CC1 ZINC000034682793 202274950 /nfs/dbraw/zinc/27/49/50/202274950.db2.gz IWXQKJBXMWOGQJ-UHFFFAOYSA-N 1 0 332.488 3.949 50 0 EHAARO CC(C)OC[C@@H](O)C[N@H+](Cc1ccsc1)Cc1ccc(F)cc1 ZINC000036099510 202314434 /nfs/dbraw/zinc/31/44/34/202314434.db2.gz RWDYBLRWEVYOQO-SFHVURJKSA-N 1 0 337.460 3.675 50 0 EHAARO Cc1ccccc1C[N@H+](CC(C)C)C[C@H](O)COCc1ccco1 ZINC000036099820 202314445 /nfs/dbraw/zinc/31/44/45/202314445.db2.gz WZYIZSFGSDYWNA-IBGZPJMESA-N 1 0 331.456 3.624 50 0 EHAARO C[N@H+]1C[C@H](c2cccs2)[C@@H](CNC(=O)Nc2ccccc2Cl)C1 ZINC000227150514 201038651 /nfs/dbraw/zinc/03/86/51/201038651.db2.gz ZQBHOSGLZDBSEY-STQMWFEESA-N 1 0 349.887 3.868 50 0 EHAARO Cc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000229684987 201043844 /nfs/dbraw/zinc/04/38/44/201043844.db2.gz NLUUQHRCYDBOCG-CZUORRHYSA-N 1 0 337.427 3.709 50 0 EHAARO COc1ccc(-c2cn(C3CC[NH+](CCC(C)C)CC3)nn2)cc1 ZINC000055270829 202687212 /nfs/dbraw/zinc/68/72/12/202687212.db2.gz FKHWULGWBZLERE-UHFFFAOYSA-N 1 0 328.460 3.637 50 0 EHAARO O=C(Cc1cc(Cl)ccc1Cl)NC1CC[NH+](CC2CC2)CC1 ZINC000058282970 202751514 /nfs/dbraw/zinc/75/15/14/202751514.db2.gz HKNWUSRQJVKNOP-UHFFFAOYSA-N 1 0 341.282 3.527 50 0 EHAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1c(F)cccc1Cl ZINC000023127962 212351849 /nfs/dbraw/zinc/35/18/49/212351849.db2.gz GFQIRSYGYFJPLF-UHFFFAOYSA-N 1 0 338.854 3.864 50 0 EHAARO C[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000225562206 241929488 /nfs/dbraw/zinc/92/94/88/241929488.db2.gz IGVONATZDIEUSU-MLGOLLRUSA-N 1 0 340.389 3.615 50 0 EHAARO Cc1ccc(NC(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)cc1C ZINC000225576708 241933920 /nfs/dbraw/zinc/93/39/20/241933920.db2.gz DMLQSSOPLWTYSE-SFHVURJKSA-N 1 0 347.528 3.642 50 0 EHAARO COc1cc(OC)c(OC)cc1/C=C/c1cc[n+](C)c2ccccc12 ZINC000001730732 201518737 /nfs/dbraw/zinc/51/87/37/201518737.db2.gz XHLBTVGEPJKETM-MDZDMXLPSA-N 1 0 336.411 3.861 50 0 EHAARO CC[NH+](CC)C[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000005471063 201652353 /nfs/dbraw/zinc/65/23/53/201652353.db2.gz HPSDHIVJUOTFMB-WOJBJXKFSA-N 1 0 338.451 3.741 50 0 EHAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(Br)cc1 ZINC000005573611 201656122 /nfs/dbraw/zinc/65/61/22/201656122.db2.gz CCHWTPPGNSQTRC-ZFWWWQNUSA-N 1 0 340.261 3.726 50 0 EHAARO C[C@@H](NC(=O)NCC1=CC[N@H+](C)CC1)c1cc2ccccc2s1 ZINC000242147470 243009281 /nfs/dbraw/zinc/00/92/81/243009281.db2.gz WSCSVXJLNLCJNQ-CYBMUJFWSA-N 1 0 329.469 3.523 50 0 EHAARO O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000243893038 243031125 /nfs/dbraw/zinc/03/11/25/243031125.db2.gz ANUKZPKDVJPUBV-IBGZPJMESA-N 1 0 339.414 3.805 50 0 EHAARO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244716172 243068087 /nfs/dbraw/zinc/06/80/87/243068087.db2.gz LJUBZYBTULGBAP-FQEVSTJZSA-N 1 0 335.451 3.571 50 0 EHAARO Fc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)cc1 ZINC000069516358 203011502 /nfs/dbraw/zinc/01/15/02/203011502.db2.gz CXQICBHNPLMGOY-HNNXBMFYSA-N 1 0 338.386 3.650 50 0 EHAARO O=C(c1cc(-c2cccs2)on1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000069700603 203038099 /nfs/dbraw/zinc/03/80/99/203038099.db2.gz XGGPVLRWHFWAMN-UHFFFAOYSA-N 1 0 345.468 3.540 50 0 EHAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000070009448 203070092 /nfs/dbraw/zinc/07/00/92/203070092.db2.gz KZAZJMZCJUEOIO-CRAIPNDOSA-N 1 0 341.455 3.713 50 0 EHAARO CC[C@H]1C[N@H+](CCCC(F)(F)F)CCC(=O)N1Cc1ccccc1 ZINC000071416143 203095194 /nfs/dbraw/zinc/09/51/94/203095194.db2.gz FEPDDOZZSABGNH-INIZCTEOSA-N 1 0 342.405 3.842 50 0 EHAARO CC(C)[C@H]1CN(C(=O)c2cc3sccc3[nH]2)CCC[N@@H+]1CC1CC1 ZINC000071748213 203106374 /nfs/dbraw/zinc/10/63/74/203106374.db2.gz MYZDQSTXVJBTFF-QGZVFWFLSA-N 1 0 345.512 3.812 50 0 EHAARO CC(C)(C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000071817332 203118824 /nfs/dbraw/zinc/11/88/24/203118824.db2.gz RWLKUZYEUPNVGR-UHFFFAOYSA-N 1 0 334.891 3.704 50 0 EHAARO Cc1[nH]c2ccccc2c1CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000071830397 203122953 /nfs/dbraw/zinc/12/29/53/203122953.db2.gz PKAOMNTUAFWOLV-UHFFFAOYSA-N 1 0 341.499 3.598 50 0 EHAARO O=C(c1ccoc1)N1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000071841963 203126974 /nfs/dbraw/zinc/12/69/74/203126974.db2.gz KJDIQAMHGHHHCU-FQEVSTJZSA-N 1 0 338.451 3.796 50 0 EHAARO CSCCC[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072133588 203167198 /nfs/dbraw/zinc/16/71/98/203167198.db2.gz DPOAQOMOYPQCAD-UHFFFAOYSA-N 1 0 333.419 3.742 50 0 EHAARO Clc1cc(N[C@H]2CCC[N@H+](Cc3cccnc3)C2)nc2[nH]ccc21 ZINC000072146089 203169514 /nfs/dbraw/zinc/16/95/14/203169514.db2.gz FEEPRQHBJDIOPW-AWEZNQCLSA-N 1 0 341.846 3.688 50 0 EHAARO CC(C)CN(C(=O)c1cc(F)c(F)cc1Cl)C1CC[NH+](C)CC1 ZINC000072283840 203191539 /nfs/dbraw/zinc/19/15/39/203191539.db2.gz PUNYRJPBXUNAJU-UHFFFAOYSA-N 1 0 344.833 3.811 50 0 EHAARO Cc1ccc(CNC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000072168666 203181173 /nfs/dbraw/zinc/18/11/73/203181173.db2.gz AFGXYZCYJBFWJS-LJQANCHMSA-N 1 0 329.488 3.545 50 0 EHAARO CC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000072473700 203230233 /nfs/dbraw/zinc/23/02/33/203230233.db2.gz IFDMLGLBZRSYFL-UHFFFAOYSA-N 1 0 349.434 3.779 50 0 EHAARO CCN1CC2(CC1=O)CC[NH+](Cc1cccc(-c3ccccn3)c1)CC2 ZINC000072473048 203230556 /nfs/dbraw/zinc/23/05/56/203230556.db2.gz YAOAEJJNSCPQIH-UHFFFAOYSA-N 1 0 349.478 3.583 50 0 EHAARO Cc1nc(CN2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)co1 ZINC000072436292 203224251 /nfs/dbraw/zinc/22/42/51/203224251.db2.gz MEBYCFMKGKMNQR-OAQYLSRUSA-N 1 0 339.483 3.861 50 0 EHAARO CCc1c(C)scc1C(=O)N1CCN(c2cc(C)[nH+]c(C)c2)CC1 ZINC000077322959 203380380 /nfs/dbraw/zinc/38/03/80/203380380.db2.gz NZOTVUANEOYDBP-UHFFFAOYSA-N 1 0 343.496 3.593 50 0 EHAARO Cc1ncsc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077354081 203382170 /nfs/dbraw/zinc/38/21/70/203382170.db2.gz JZRZYQUAUXHDCQ-KRWDZBQOSA-N 1 0 343.496 3.881 50 0 EHAARO Oc1cccc(C[NH+]2CCC(c3nc4cc(F)ccc4[nH]3)CC2)c1 ZINC000077516669 203393139 /nfs/dbraw/zinc/39/31/39/203393139.db2.gz VWINPGJXLHVTMZ-UHFFFAOYSA-N 1 0 325.387 3.787 50 0 EHAARO NC(=O)N1CCC([NH2+]CC2(c3ccccc3Cl)CCCCC2)CC1 ZINC000090965308 203621195 /nfs/dbraw/zinc/62/11/95/203621195.db2.gz ANJLGOJQMWDAHP-UHFFFAOYSA-N 1 0 349.906 3.675 50 0 EHAARO O=C(C1CC1)N1CCC([NH2+]Cc2cc(-c3cccs3)cs2)CC1 ZINC000042209240 204077184 /nfs/dbraw/zinc/07/71/84/204077184.db2.gz YRUMMHCSJDOVPB-UHFFFAOYSA-N 1 0 346.521 3.967 50 0 EHAARO Cc1cc(C[NH+]2CCC(CNC(=O)c3ccsc3)CC2)c(C)o1 ZINC000043972344 204292063 /nfs/dbraw/zinc/29/20/63/204292063.db2.gz PBSSAURLVCGWKW-UHFFFAOYSA-N 1 0 332.469 3.600 50 0 EHAARO Cc1ccccc1C1CC([NH2+]Cc2ccnc(O[C@@H]3CCOC3)c2)C1 ZINC000128192616 205136675 /nfs/dbraw/zinc/13/66/75/205136675.db2.gz DGXHJGCFKQBLAP-CTWPCTMYSA-N 1 0 338.451 3.594 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000014062046 211675386 /nfs/dbraw/zinc/67/53/86/211675386.db2.gz QYJNXGPGQDIWCG-NRFANRHFSA-N 1 0 344.458 3.971 50 0 EHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cnccn3)CC2)C1 ZINC000091434808 218005399 /nfs/dbraw/zinc/00/53/99/218005399.db2.gz GRLHHKBLPZJKPD-IBGZPJMESA-N 1 0 336.483 3.573 50 0 EHAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096478642 218854983 /nfs/dbraw/zinc/85/49/83/218854983.db2.gz KMNKTTPRVDPSPK-NEPJUHHUSA-N 1 0 347.521 3.800 50 0 EHAARO C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000253501255 257999196 /nfs/dbraw/zinc/99/91/96/257999196.db2.gz GLWKVBMAXIHLJD-ZDQRBUBASA-N 1 0 349.559 3.732 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccccc3OC3CCCC3)[C@H]1C[C@H](O)CC2 ZINC000299793927 258098698 /nfs/dbraw/zinc/09/86/98/258098698.db2.gz IQJCYTNUUDBLED-JRGCBEDISA-N 1 0 345.483 3.512 50 0 EHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3c[nH]nc3C3CCCCC3)[C@H]2C1 ZINC000299799692 258103042 /nfs/dbraw/zinc/10/30/42/258103042.db2.gz YCKIFMQSRAUIEP-WSTZPKSXSA-N 1 0 347.503 3.616 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2cc(C(C)C)on2)CC1 ZINC000065372270 262530611 /nfs/dbraw/zinc/53/06/11/262530611.db2.gz NELMNCIITOTPCA-SFHVURJKSA-N 1 0 347.503 3.974 50 0 EHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000269242544 525009466 /nfs/dbraw/zinc/00/94/66/525009466.db2.gz CUEVRMZPALJCFS-DGCLKSJQSA-N 1 0 329.271 3.512 50 0 EHAARO CC1(C)C[C@H](C[NH+]2CCN(C/C=C/c3ccccc3)CC2)CCO1 ZINC000215034501 535367189 /nfs/dbraw/zinc/36/71/89/535367189.db2.gz MZGNZPDCNTYVSW-AQDCRGGLSA-N 1 0 328.500 3.523 50 0 EHAARO COc1cccc([C@@H]2CC[N@@H+]2Cc2cc3c(cc2C)OCCO3)c1 ZINC000215193500 537139081 /nfs/dbraw/zinc/13/90/81/537139081.db2.gz GFFRLNAHEBNSGK-SFHVURJKSA-N 1 0 325.408 3.722 50 0 EHAARO COC[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000194117553 564120426 /nfs/dbraw/zinc/12/04/26/564120426.db2.gz STYWTTLZSQMTHS-IXDOHACOSA-N 1 0 341.904 3.672 50 0 EHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1F ZINC000000360097 563292969 /nfs/dbraw/zinc/29/29/69/563292969.db2.gz NMUOQTSDKPOCLX-QGZVFWFLSA-N 1 0 345.414 3.682 50 0 EHAARO CCOC(=O)c1ccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000002514556 563435600 /nfs/dbraw/zinc/43/56/00/563435600.db2.gz BNHWEVFQNBWPSF-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO CCOC(=O)c1ccc(C(=O)c2ccccc2C[NH+]2CCCC2)cc1 ZINC000002515553 563437122 /nfs/dbraw/zinc/43/71/22/563437122.db2.gz KBVVZDYLTMNQHA-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO [NH3+]CCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000002538539 563439816 /nfs/dbraw/zinc/43/98/16/563439816.db2.gz HOQGIMUSBVXASR-UHFFFAOYSA-N 1 0 330.741 3.577 50 0 EHAARO c1coc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)o2)c1 ZINC000071892928 563476555 /nfs/dbraw/zinc/47/65/55/563476555.db2.gz FVRPVZURCAZQTG-CYBMUJFWSA-N 1 0 349.394 3.586 50 0 EHAARO C[NH+]1CCN(c2nc(-c3ccccc3)nc3c4ccccc4oc32)CC1 ZINC000004326905 563500348 /nfs/dbraw/zinc/50/03/48/563500348.db2.gz CBUUEZPMVUFWCA-UHFFFAOYSA-N 1 0 344.418 3.795 50 0 EHAARO CC[NH+]1CCN(c2ncnc3sc(C)c(-c4ccccc4)c32)CC1 ZINC000005555250 563539561 /nfs/dbraw/zinc/53/95/61/563539561.db2.gz USQKCEJENZDLKI-UHFFFAOYSA-N 1 0 338.480 3.809 50 0 EHAARO C[NH+]1CCC(NC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 ZINC000006008148 563556994 /nfs/dbraw/zinc/55/69/94/563556994.db2.gz DWDVPTQFMDYVRM-CQSZACIVSA-N 1 0 334.529 3.723 50 0 EHAARO CC[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCCC1)c1ccc(O)cc1 ZINC000584890998 563563015 /nfs/dbraw/zinc/56/30/15/563563015.db2.gz BRZXGUIUESCJRT-LJQANCHMSA-N 1 0 347.503 3.749 50 0 EHAARO O=C(c1cccc(F)c1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006726432 563582727 /nfs/dbraw/zinc/58/27/27/563582727.db2.gz VANFCBIZRUDRLG-UHFFFAOYSA-N 1 0 342.458 3.552 50 0 EHAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(OC)c1 ZINC000010328130 563647175 /nfs/dbraw/zinc/64/71/75/563647175.db2.gz SZBFPAIBJSRYMN-UHFFFAOYSA-N 1 0 340.423 3.552 50 0 EHAARO CN(C(=O)c1cccs1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011717824 563650653 /nfs/dbraw/zinc/65/06/53/563650653.db2.gz WKEPDDPZWZQBDA-QGZVFWFLSA-N 1 0 328.481 3.527 50 0 EHAARO c1ccc2sc(N3CCC[C@H]([NH2+]C4CCSCC4)C3)nc2c1 ZINC000011878956 563651785 /nfs/dbraw/zinc/65/17/85/563651785.db2.gz MWUPKCKIEZALEB-AWEZNQCLSA-N 1 0 333.526 3.750 50 0 EHAARO O=C(c1cccc(Cl)c1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012057344 563652750 /nfs/dbraw/zinc/65/27/50/563652750.db2.gz PUACFPAZUVVCHV-IBGZPJMESA-N 1 0 332.875 3.678 50 0 EHAARO COc1cccc(CC[C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)c1 ZINC000012072541 563653167 /nfs/dbraw/zinc/65/31/67/563653167.db2.gz UUUWDDFGJAISNM-GOSISDBHSA-N 1 0 327.472 3.582 50 0 EHAARO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000012154955 563655107 /nfs/dbraw/zinc/65/51/07/563655107.db2.gz LYFLNSVTSFIZJM-QAPCUYQASA-N 1 0 336.426 3.578 50 0 EHAARO Cc1ccsc1C(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012466511 563661473 /nfs/dbraw/zinc/66/14/73/563661473.db2.gz NXWOWONXJLVZMD-SFHVURJKSA-N 1 0 342.508 3.836 50 0 EHAARO Cc1ncsc1CCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012709514 563668236 /nfs/dbraw/zinc/66/82/36/563668236.db2.gz LSKGHDRMXIEEEL-MRXNPFEDSA-N 1 0 349.544 3.688 50 0 EHAARO COc1ccc(C[N@H+](C)CCC(=O)N[C@H](C)c2ccccc2)cc1F ZINC000012788518 563670710 /nfs/dbraw/zinc/67/07/10/563670710.db2.gz HXAOCHGBXDUXEA-OAHLLOKOSA-N 1 0 344.430 3.534 50 0 EHAARO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000012810776 563674366 /nfs/dbraw/zinc/67/43/66/563674366.db2.gz GQRJUNCNKJFHIO-IAGOWNOFSA-N 1 0 338.451 3.791 50 0 EHAARO Cc1ccc2c(CSC3=[NH+][C@@H]4CCCC[C@H]4N3)cc(=O)oc2c1C ZINC000014182584 563747778 /nfs/dbraw/zinc/74/77/78/563747778.db2.gz JJTMBOBZLJNTHY-HZPDHXFCSA-N 1 0 342.464 3.913 50 0 EHAARO Cc1ncc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)s1 ZINC000015077674 563776869 /nfs/dbraw/zinc/77/68/69/563776869.db2.gz WCDWAPWNHWDSNF-LJQANCHMSA-N 1 0 330.497 3.577 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)o1 ZINC000015860219 563796590 /nfs/dbraw/zinc/79/65/90/563796590.db2.gz QKZAQFUMKBDNIA-MRXNPFEDSA-N 1 0 332.831 3.808 50 0 EHAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccco3)sc2cc1C ZINC000004586161 563807096 /nfs/dbraw/zinc/80/70/96/563807096.db2.gz UJBGNDJUBLMMCY-UHFFFAOYSA-N 1 0 343.452 3.715 50 0 EHAARO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000016344546 563809424 /nfs/dbraw/zinc/80/94/24/563809424.db2.gz ZTDOTOVLNCHEGA-RTBURBONSA-N 1 0 339.435 3.718 50 0 EHAARO FC(F)(F)c1cccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000016663300 563819729 /nfs/dbraw/zinc/81/97/29/563819729.db2.gz BPGUNFACFBHHLG-UHFFFAOYSA-N 1 0 346.396 3.995 50 0 EHAARO Cn1cc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)c2ccccc21 ZINC000065288634 563852285 /nfs/dbraw/zinc/85/22/85/563852285.db2.gz CLRSENNOTQVLSV-OAQYLSRUSA-N 1 0 335.451 3.519 50 0 EHAARO CC[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000043292034 563861921 /nfs/dbraw/zinc/86/19/21/563861921.db2.gz LNLVIMXCAPPQCG-AWEZNQCLSA-N 1 0 329.444 3.620 50 0 EHAARO O=C(NCc1ccco1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000015855962 563918046 /nfs/dbraw/zinc/91/80/46/563918046.db2.gz PAIMREPVHMFKGB-UHFFFAOYSA-N 1 0 348.446 3.961 50 0 EHAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000022241687 563918526 /nfs/dbraw/zinc/91/85/26/563918526.db2.gz OTYVVRPYTQOGGQ-SAPNQHFASA-N 1 0 338.451 3.711 50 0 EHAARO O=C(NCCCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044909255 563928124 /nfs/dbraw/zinc/92/81/24/563928124.db2.gz JUBVNFODYHIVAZ-UHFFFAOYSA-N 1 0 336.479 3.648 50 0 EHAARO C[C@@H]1Cc2ccccc2N1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044912959 563928303 /nfs/dbraw/zinc/92/83/03/563928303.db2.gz KBAUWOOJGBSORL-QGZVFWFLSA-N 1 0 334.463 3.876 50 0 EHAARO CCCSc1ncc(C[NH2+][C@@H](C)c2c(C)nn(CC)c2C)cn1 ZINC000055108380 563933629 /nfs/dbraw/zinc/93/36/29/563933629.db2.gz CKVOOTMUDHAKOE-LBPRGKRZSA-N 1 0 333.505 3.663 50 0 EHAARO CCC[N@H+](Cc1ccc(OC)c(CO)c1)Cc1ccccc1OC ZINC000055253955 563934130 /nfs/dbraw/zinc/93/41/30/563934130.db2.gz LRTKOVVIRASFFX-UHFFFAOYSA-N 1 0 329.440 3.608 50 0 EHAARO CC(=O)Oc1c(C)cc(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)cc1C ZINC000055358899 563934532 /nfs/dbraw/zinc/93/45/32/563934532.db2.gz JLJCANRTMPVOCS-KRWDZBQOSA-N 1 0 340.467 3.995 50 0 EHAARO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000055393230 563934781 /nfs/dbraw/zinc/93/47/81/563934781.db2.gz BZVUHQQFWLFZBA-KRWDZBQOSA-N 1 0 333.501 3.991 50 0 EHAARO COC(=O)C(=C/C=C/[NH+](C1CCCCC1)C1CCCCC1)C(=O)OC ZINC000055450625 563934884 /nfs/dbraw/zinc/93/48/84/563934884.db2.gz UQOJJRZJJRNUQE-OQLLNIDSSA-N 1 0 349.471 3.740 50 0 EHAARO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1)C(C)C ZINC000058392496 563944620 /nfs/dbraw/zinc/94/46/20/563944620.db2.gz HPKSRJFGHKVBDR-INIZCTEOSA-N 1 0 325.456 3.803 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)N1CCc2sccc2C1)CC(C)C ZINC000059296991 563947983 /nfs/dbraw/zinc/94/79/83/563947983.db2.gz CEHTXNVLBBKDRZ-INIZCTEOSA-N 1 0 337.533 3.572 50 0 EHAARO CSc1ccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)nc1 ZINC000096436597 563952566 /nfs/dbraw/zinc/95/25/66/563952566.db2.gz RYJKWTLBARCYHT-UHFFFAOYSA-N 1 0 341.436 3.864 50 0 EHAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CCc2nc3ccccc3s2)cc1 ZINC000065398434 563959854 /nfs/dbraw/zinc/95/98/54/563959854.db2.gz INBHIYXZWUPVDG-CQSZACIVSA-N 1 0 339.464 3.764 50 0 EHAARO O=C1CCCN1C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000065431388 563960869 /nfs/dbraw/zinc/96/08/69/563960869.db2.gz SZTBOURTYKETGN-LJQANCHMSA-N 1 0 349.478 3.583 50 0 EHAARO COc1cc(C[N@H+](C)Cc2cccc3ncccc23)cc(F)c1O ZINC000067447382 563962308 /nfs/dbraw/zinc/96/23/08/563962308.db2.gz ZXDDHGQOOSXHSF-UHFFFAOYSA-N 1 0 326.371 3.720 50 0 EHAARO C[N@@H+]1CCCC2(CCN(C(=O)CCCOc3ccccc3)CC2)CC1 ZINC000067654558 563962424 /nfs/dbraw/zinc/96/24/24/563962424.db2.gz JHMUQHJDWZGCKZ-UHFFFAOYSA-N 1 0 344.499 3.570 50 0 EHAARO Cc1nc(C[NH3+])cc(N(C)Cc2sc3ccccc3c2Cl)n1 ZINC000067842706 563962857 /nfs/dbraw/zinc/96/28/57/563962857.db2.gz FFJKHFBTRDCCNJ-UHFFFAOYSA-N 1 0 332.860 3.748 50 0 EHAARO C[NH+](C)Cc1ccccc1Oc1cc(C(=O)N2CCCCC2)ccn1 ZINC000067974865 563963181 /nfs/dbraw/zinc/96/31/81/563963181.db2.gz KIFJADBKBOXGJI-UHFFFAOYSA-N 1 0 339.439 3.562 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3occc32)cn1 ZINC000097016570 563966702 /nfs/dbraw/zinc/96/67/02/563966702.db2.gz LYJWRYQXSKAKNO-QGZVFWFLSA-N 1 0 336.439 3.972 50 0 EHAARO Cn1cnnc1C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000097110962 563968026 /nfs/dbraw/zinc/96/80/26/563968026.db2.gz ZKENRCJREWNSMN-HIFRSBDPSA-N 1 0 338.377 3.650 50 0 EHAARO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000097165468 563968547 /nfs/dbraw/zinc/96/85/47/563968547.db2.gz HMKYFHPCRPCEKA-CYBMUJFWSA-N 1 0 339.867 3.544 50 0 EHAARO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000337331496 563968757 /nfs/dbraw/zinc/96/87/57/563968757.db2.gz HHIHFFBQVYGZMB-HZPDHXFCSA-N 1 0 341.455 3.798 50 0 EHAARO CC(C)OC[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000337331497 563968795 /nfs/dbraw/zinc/96/87/95/563968795.db2.gz HHIHFFBQVYGZMB-JKSUJKDBSA-N 1 0 341.455 3.798 50 0 EHAARO Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000097236335 563970681 /nfs/dbraw/zinc/97/06/81/563970681.db2.gz SYUCJALZQFKSLM-DILOTOHQSA-N 1 0 339.483 3.853 50 0 EHAARO COc1cc[nH+]c(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000097231545 563970729 /nfs/dbraw/zinc/97/07/29/563970729.db2.gz RVIJSQXLJSIFJB-GFCCVEGCSA-N 1 0 326.400 3.547 50 0 EHAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(OCc2cscn2)c1 ZINC000097232277 563970791 /nfs/dbraw/zinc/97/07/91/563970791.db2.gz RSFMYZBQSDGGRT-LBTNJELSSA-N 1 0 331.485 3.863 50 0 EHAARO O=C1[C@H]([NH2+]Cc2ccc3ncccc3c2)CCCN1c1ccccc1F ZINC000097022400 563971062 /nfs/dbraw/zinc/97/10/62/563971062.db2.gz VHGJHSYAGIMDHB-LJQANCHMSA-N 1 0 349.409 3.659 50 0 EHAARO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000004785221 563974502 /nfs/dbraw/zinc/97/45/02/563974502.db2.gz YMWPXBVLFPTGOZ-HXUWFJFHSA-N 1 0 348.446 3.507 50 0 EHAARO c1ccc2cc(C[NH2+]CC3(N4CCOCC4)CCCCC3)ccc2c1 ZINC000060828257 563974975 /nfs/dbraw/zinc/97/49/75/563974975.db2.gz QEIFAEKBTOKQLS-UHFFFAOYSA-N 1 0 338.495 3.965 50 0 EHAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000091526799 563975498 /nfs/dbraw/zinc/97/54/98/563975498.db2.gz QDIDDJRPXVPRED-OAHLLOKOSA-N 1 0 339.483 3.792 50 0 EHAARO CCC[C@H]1CN(C(=O)c2ccc(-c3ccccc3OC)cc2)C[C@@H]1[NH3+] ZINC000091594778 563975543 /nfs/dbraw/zinc/97/55/43/563975543.db2.gz NRMLXOLKJAQVQV-HKUYNNGSSA-N 1 0 338.451 3.562 50 0 EHAARO Cc1cc(C)c(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c(C)c1 ZINC000225568483 563975765 /nfs/dbraw/zinc/97/57/65/563975765.db2.gz XNSYJYDIHLMQSC-GOSISDBHSA-N 1 0 346.540 3.559 50 0 EHAARO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)CC[C@@]1(O)C1CCC1 ZINC000091818913 563975805 /nfs/dbraw/zinc/97/58/05/563975805.db2.gz QEQQGXXUAQBMDA-VLIAUNLRSA-N 1 0 343.446 3.589 50 0 EHAARO CC[N@H+](C)C1(CNc2ncnc3nc(C)cc(C)c32)CCCCC1 ZINC000095378728 563976855 /nfs/dbraw/zinc/97/68/55/563976855.db2.gz JVSNREMVPYOICT-UHFFFAOYSA-N 1 0 327.476 3.708 50 0 EHAARO CC(C)c1cc(CN(C)C(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)no1 ZINC000095388591 563976904 /nfs/dbraw/zinc/97/69/04/563976904.db2.gz KCCGTVSBZNBDKO-KRWDZBQOSA-N 1 0 341.455 3.537 50 0 EHAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000095743482 563977664 /nfs/dbraw/zinc/97/76/64/563977664.db2.gz KOEWZHJZHRVSCS-ZDUSSCGKSA-N 1 0 330.350 3.587 50 0 EHAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1ccc(C3CCCCC3)s1)C2 ZINC000097514469 563981603 /nfs/dbraw/zinc/98/16/03/563981603.db2.gz LUQWSUOPMJSIHP-CVEARBPZSA-N 1 0 332.513 3.896 50 0 EHAARO COc1cccc(NC(=S)N2CCC([N@H+](C)CCC(C)C)CC2)c1 ZINC000000261563 563989672 /nfs/dbraw/zinc/98/96/72/563989672.db2.gz RXABIDAKNDKBBZ-UHFFFAOYSA-N 1 0 349.544 3.834 50 0 EHAARO O=c1oc2ccccc2c(N2CCCCC2)c1C[NH+]1CCCCC1 ZINC000000272757 563990096 /nfs/dbraw/zinc/99/00/96/563990096.db2.gz WFMJWUJZNIYRFC-UHFFFAOYSA-N 1 0 326.440 3.769 50 0 biogenic EHAARO Cc1ccsc1C[NH+]1CCC(C(=O)N(C)Cc2ccccc2)CC1 ZINC000000299263 563990368 /nfs/dbraw/zinc/99/03/68/563990368.db2.gz MQYLVFLPMDGJDA-UHFFFAOYSA-N 1 0 342.508 3.927 50 0 EHAARO O=C1C[C@@H]([C@@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccccc1 ZINC000005015839 563993792 /nfs/dbraw/zinc/99/37/92/563993792.db2.gz MIXFAAAACQFFCU-ROUUACIJSA-N 1 0 338.451 3.736 50 0 EHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCc1cccs1 ZINC000073260274 563995132 /nfs/dbraw/zinc/99/51/32/563995132.db2.gz HKNCPYSKAWUQMN-MJGOQNOKSA-N 1 0 340.492 3.824 50 0 EHAARO [NH3+]C1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)CC1 ZINC000157655920 563996255 /nfs/dbraw/zinc/99/62/55/563996255.db2.gz PVLKWFQTUYDFLF-UHFFFAOYSA-N 1 0 348.805 3.835 50 0 EHAARO c1cc2c(cccc2C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)[nH]1 ZINC000179781626 564003139 /nfs/dbraw/zinc/00/31/39/564003139.db2.gz BTNMRJAZICHYHX-MRXNPFEDSA-N 1 0 331.423 3.590 50 0 EHAARO CC[NH+](CC)C[C@@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000005471071 564004462 /nfs/dbraw/zinc/00/44/62/564004462.db2.gz HPSDHIVJUOTFMB-PMACEKPBSA-N 1 0 338.451 3.741 50 0 EHAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000062580675 564006487 /nfs/dbraw/zinc/00/64/87/564006487.db2.gz BMCHPPYMWVMZIL-JTDSTZFVSA-N 1 0 330.472 3.622 50 0 EHAARO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2cnc(C)s2)cc1)C1CC1 ZINC000078726031 564013031 /nfs/dbraw/zinc/01/30/31/564013031.db2.gz JDQJFGFUNBXONT-UHFFFAOYSA-N 1 0 343.496 3.708 50 0 EHAARO CSCC[C@H]([NH2+][C@@H]1CCC12CCCC2)c1nnc2ccccn21 ZINC000189047611 564014561 /nfs/dbraw/zinc/01/45/61/564014561.db2.gz NNEGYBILKXPAAR-LSDHHAIUSA-N 1 0 330.501 3.836 50 0 EHAARO CC[NH+](CC)C[C@@H](NC(=O)Nc1ccccc1OC)c1ccccc1 ZINC000018173814 564018513 /nfs/dbraw/zinc/01/85/13/564018513.db2.gz KXEQJALGELUSPT-GOSISDBHSA-N 1 0 341.455 3.900 50 0 EHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)CCc2ccccc2)cn1 ZINC000107322532 564026852 /nfs/dbraw/zinc/02/68/52/564026852.db2.gz VJWFWOBUIZBDLG-IMFGXOCKSA-N 1 0 327.472 3.592 50 0 EHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=S)NC2CCCCC2)C1 ZINC000107340058 564026872 /nfs/dbraw/zinc/02/68/72/564026872.db2.gz ZIMFDRZGALDRAC-CRAIPNDOSA-N 1 0 331.529 3.619 50 0 EHAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C)nc3ccccc32)c1 ZINC000048287999 564030535 /nfs/dbraw/zinc/03/05/35/564030535.db2.gz KJPWJPRDEDFSOW-UHFFFAOYSA-N 1 0 347.462 3.925 50 0 EHAARO Cc1c2ccccc2oc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000048356043 564031396 /nfs/dbraw/zinc/03/13/96/564031396.db2.gz ZVJMISCFHGGRBH-UHFFFAOYSA-N 1 0 349.434 3.531 50 0 EHAARO Cc1noc(C)c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000048616703 564032023 /nfs/dbraw/zinc/03/20/23/564032023.db2.gz LJCXSSKLROBZQM-UHFFFAOYSA-N 1 0 339.361 3.632 50 0 EHAARO OCC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccccc1 ZINC000000819513 564035326 /nfs/dbraw/zinc/03/53/26/564035326.db2.gz MWADOJQMIHBBTD-UHFFFAOYSA-N 1 0 341.842 3.725 50 0 EHAARO CC[C@@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccc2c(c1)OCCO2 ZINC000240900748 564051809 /nfs/dbraw/zinc/05/18/09/564051809.db2.gz ITOHAOGVXCHIBC-QGZVFWFLSA-N 1 0 341.455 3.550 50 0 EHAARO CCn1c2ccccc2nc1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000063319732 564057057 /nfs/dbraw/zinc/05/70/57/564057057.db2.gz HHYFFOOVKRQBEZ-UHFFFAOYSA-N 1 0 340.515 3.800 50 0 EHAARO CCCC[C@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1cccnc1 ZINC000534576647 564061053 /nfs/dbraw/zinc/06/10/53/564061053.db2.gz KMRZCQCLTXBZHY-SFHVURJKSA-N 1 0 329.488 3.838 50 0 EHAARO Cc1nccn1CC[C@H](C)[NH2+]CCCc1nc2c(ccc(C)c2C)[nH]1 ZINC000534653374 564061394 /nfs/dbraw/zinc/06/13/94/564061394.db2.gz GZMDVXMBADCMII-HNNXBMFYSA-N 1 0 339.487 3.686 50 0 EHAARO Cn1nccc1[C@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000084303767 564067710 /nfs/dbraw/zinc/06/77/10/564067710.db2.gz MVTPIZOOMROYDD-LBPRGKRZSA-N 1 0 340.290 3.624 50 0 EHAARO O=C([C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1)N1CCCCC1 ZINC000084519358 564068429 /nfs/dbraw/zinc/06/84/29/564068429.db2.gz YULCXUABPQKFET-FGZHOGPDSA-N 1 0 348.490 3.887 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000084736352 564069960 /nfs/dbraw/zinc/06/99/60/564069960.db2.gz RFTVJQRNFQUCJX-YLJYHZDGSA-N 1 0 339.483 3.608 50 0 EHAARO Cc1ccc([C@H](CNC(=O)Cc2ccccc2)[NH+]2CCC(C)CC2)o1 ZINC000015860329 564076904 /nfs/dbraw/zinc/07/69/04/564076904.db2.gz TVXKXXZYVBIVEM-IBGZPJMESA-N 1 0 340.467 3.720 50 0 EHAARO Cc1nn(C)c(C)c1C[N@@H+](Cc1cccn1-c1ccccn1)C(C)C ZINC000063855690 564082191 /nfs/dbraw/zinc/08/21/91/564082191.db2.gz AMPKGQMUKMBDRW-UHFFFAOYSA-N 1 0 337.471 3.633 50 0 EHAARO COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1F ZINC000090543253 564084670 /nfs/dbraw/zinc/08/46/70/564084670.db2.gz ICVJLKFKJRHNHB-RVSPLBMKSA-N 1 0 325.449 3.540 50 0 EHAARO Cc1sc2cc(C(=O)N3CCCC3)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487484 564086657 /nfs/dbraw/zinc/08/66/57/564086657.db2.gz RARARIDWFSFKSZ-UHFFFAOYSA-N 1 0 331.485 3.760 50 0 EHAARO CC[C@H](CNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1SC)c1ccccc1 ZINC000241515545 564088371 /nfs/dbraw/zinc/08/83/71/564088371.db2.gz OGFANUUYNQTQGY-BPQIPLTHSA-N 1 0 334.529 3.512 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H](c3cn[nH]c3)C2)c(SC)cc1OC ZINC000092809504 564089047 /nfs/dbraw/zinc/08/90/47/564089047.db2.gz WUSPBPBQVHLTRT-CYBMUJFWSA-N 1 0 347.484 3.528 50 0 EHAARO Cc1cc(NC(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)no1 ZINC000054359705 564093385 /nfs/dbraw/zinc/09/33/85/564093385.db2.gz VUHMOXVVGZLOFK-UHFFFAOYSA-N 1 0 349.434 3.987 50 0 EHAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)COCc2ccco2)s1 ZINC000036100942 564096107 /nfs/dbraw/zinc/09/61/07/564096107.db2.gz AHGRWBOZFIKJPG-INIZCTEOSA-N 1 0 337.485 3.685 50 0 EHAARO CCn1cc(CCCC(=O)NC[C@H]2CCC[N@@H+]2CC)c2ccccc21 ZINC000006782775 564097641 /nfs/dbraw/zinc/09/76/41/564097641.db2.gz LEOMXSQOEKMTCD-GOSISDBHSA-N 1 0 341.499 3.584 50 0 EHAARO C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)C(c1ccccc1)c1ccccc1 ZINC000170057838 564105158 /nfs/dbraw/zinc/10/51/58/564105158.db2.gz GXQDNGGNNMQYFR-XLIONFOSSA-N 1 0 348.490 3.713 50 0 EHAARO Cc1c(Cl)ccc2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)nc12 ZINC000170070845 564105211 /nfs/dbraw/zinc/10/52/11/564105211.db2.gz ADMXSUAMKRLLBZ-INIZCTEOSA-N 1 0 325.799 3.835 50 0 EHAARO Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3cccs3)nc12 ZINC000065512933 564106751 /nfs/dbraw/zinc/10/67/51/564106751.db2.gz DWHFSIABQMYEFR-HNNXBMFYSA-N 1 0 325.437 3.610 50 0 EHAARO CN(C(=O)c1ccc(C[NH3+])nc1C1CC1)c1ccc2ccccc2c1 ZINC000170592817 564108926 /nfs/dbraw/zinc/10/89/26/564108926.db2.gz SCHUILXQGMQEDH-UHFFFAOYSA-N 1 0 331.419 3.848 50 0 EHAARO C[C@H]1CCC[C@@H](CC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000170608318 564109715 /nfs/dbraw/zinc/10/97/15/564109715.db2.gz RKPTXYMUJQEMHJ-DLBZAZTESA-N 1 0 338.561 3.681 50 0 EHAARO CC[NH+]1CCN(c2cccc(N[C@H](C)Cc3ccsc3)c2)CC1 ZINC000170608684 564109726 /nfs/dbraw/zinc/10/97/26/564109726.db2.gz JXKHXDHWPNQXKV-MRXNPFEDSA-N 1 0 329.513 3.933 50 0 EHAARO COc1cccc2cc(C[NH2+]C[C@H]3CCCn4cc(C)nc43)oc21 ZINC000089702119 564113170 /nfs/dbraw/zinc/11/31/70/564113170.db2.gz QDQNJZNDSDGBOT-OAHLLOKOSA-N 1 0 325.412 3.614 50 0 EHAARO Cc1[nH+]c(CNC(=O)Nc2nc3ccccc3s2)c2ccccn12 ZINC000089708980 564113335 /nfs/dbraw/zinc/11/33/35/564113335.db2.gz IXBWZPQFEIDYDE-UHFFFAOYSA-N 1 0 337.408 3.574 50 0 EHAARO Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000089768306 564113632 /nfs/dbraw/zinc/11/36/32/564113632.db2.gz IZQCLHKYXGWHJL-LLVKDONJSA-N 1 0 327.325 3.708 50 0 EHAARO O=C(OC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1C[C@H]1c1ccco1 ZINC000076090696 564115628 /nfs/dbraw/zinc/11/56/28/564115628.db2.gz NEMKGVDQXWCHIH-HZPDHXFCSA-N 1 0 331.437 3.652 50 0 EHAARO CCCN(CC[NH+](C)C)C(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000089958895 564115876 /nfs/dbraw/zinc/11/58/76/564115876.db2.gz ZHNYMKAZPNFNDJ-FQEVSTJZSA-N 1 0 340.467 3.607 50 0 EHAARO C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cncc(F)c1 ZINC000090044306 564116173 /nfs/dbraw/zinc/11/61/73/564116173.db2.gz PUMQWNSVWWELGE-GFCCVEGCSA-N 1 0 328.416 3.633 50 0 EHAARO CCOC(=O)C1CC[NH+](CCOc2ccccc2[C@@H](C)CC)CC1 ZINC000006728837 564117468 /nfs/dbraw/zinc/11/74/68/564117468.db2.gz HUIWHFPHLYPMLD-INIZCTEOSA-N 1 0 333.472 3.854 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(-c3ccccc3)cs2)N1 ZINC000054426075 564117533 /nfs/dbraw/zinc/11/75/33/564117533.db2.gz YVGMOKFZIMIURU-KRWDZBQOSA-N 1 0 345.431 3.861 50 0 EHAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000237596895 564117756 /nfs/dbraw/zinc/11/77/56/564117756.db2.gz YBIDRYLDGYOMOP-TYNCELHUSA-N 1 0 328.378 3.537 50 0 EHAARO CC(C)(C)[C@@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1cccs1 ZINC000252481695 564119162 /nfs/dbraw/zinc/11/91/62/564119162.db2.gz CQNYXOPOEGSZMD-SFHVURJKSA-N 1 0 342.508 3.954 50 0 EHAARO COCCOc1ccccc1CNc1cc(C(F)(F)F)ccn1 ZINC000170654122 564120918 /nfs/dbraw/zinc/12/09/18/564120918.db2.gz AGJLCWAULOTNQA-UHFFFAOYSA-N 1 0 326.318 3.738 50 0 EHAARO CC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)c1ccc(OC2CCCC2)cc1 ZINC000170677672 564121412 /nfs/dbraw/zinc/12/14/12/564121412.db2.gz SDVGMVDVKJFBGU-OALUTQOASA-N 1 0 332.488 3.949 50 0 EHAARO C[C@@H](NC(=O)[C@](C)([NH3+])C1CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000170681258 564121446 /nfs/dbraw/zinc/12/14/46/564121446.db2.gz SSKFGYRUBWWYTQ-ZUOKHONESA-N 1 0 342.414 3.923 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000194526203 564121567 /nfs/dbraw/zinc/12/15/67/564121567.db2.gz LLZCFVYVWFMQID-FFZOFVMBSA-N 1 0 331.456 3.594 50 0 EHAARO Cc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)c(-n2cc(Cl)cn2)n1 ZINC000194967892 564122630 /nfs/dbraw/zinc/12/26/30/564122630.db2.gz NRKJDZPFMXWIFF-CYBMUJFWSA-N 1 0 342.830 3.786 50 0 EHAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 ZINC000194961078 564122666 /nfs/dbraw/zinc/12/26/66/564122666.db2.gz VEXKQRSQEWGHCT-XCLFUZPHSA-N 1 0 342.414 3.675 50 0 EHAARO Fc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000253370582 564130316 /nfs/dbraw/zinc/13/03/16/564130316.db2.gz SQDVGCZMAIJVAC-AABGKKOBSA-N 1 0 325.431 3.527 50 0 EHAARO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cccc(-c2ncco2)c1 ZINC000253370664 564130385 /nfs/dbraw/zinc/13/03/85/564130385.db2.gz ULGNNHDZKHFOFQ-LZQZEXGQSA-N 1 0 341.455 3.643 50 0 EHAARO O=C(Cc1ccc(C(F)(F)F)cc1)NCCC[NH+]1CCCCCC1 ZINC000055173395 564134347 /nfs/dbraw/zinc/13/43/47/564134347.db2.gz AANGRUSNKPMMMU-UHFFFAOYSA-N 1 0 342.405 3.630 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000055255259 564134697 /nfs/dbraw/zinc/13/46/97/564134697.db2.gz KLFVGVZUBHBAJW-OAHLLOKOSA-N 1 0 338.430 3.982 50 0 EHAARO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000093010307 564136907 /nfs/dbraw/zinc/13/69/07/564136907.db2.gz OMTPVOLLOLHFMR-ACJLOTCBSA-N 1 0 342.439 3.699 50 0 EHAARO COc1ccc(Cl)c(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000079044501 564137750 /nfs/dbraw/zinc/13/77/50/564137750.db2.gz IFGHAOFPVHFLSR-UHFFFAOYSA-N 1 0 348.830 3.541 50 0 EHAARO O=C(CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1c(Cl)cccc1Cl ZINC000079354313 564138136 /nfs/dbraw/zinc/13/81/36/564138136.db2.gz QBNJXXSBQIQISL-UONOGXRCSA-N 1 0 343.254 3.575 50 0 EHAARO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000095420839 564139956 /nfs/dbraw/zinc/13/99/56/564139956.db2.gz PGBRCZAAHXPXAA-RDTXWAMCSA-N 1 0 344.480 3.586 50 0 EHAARO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000095421288 564139981 /nfs/dbraw/zinc/13/99/81/564139981.db2.gz SXDASDDXXMBLKY-HNNXBMFYSA-N 1 0 349.434 3.750 50 0 EHAARO Cc1csc([C@@H]([NH2+][C@@H](C)CC(=O)N2CCCCCC2)C2CC2)n1 ZINC000095423332 564140188 /nfs/dbraw/zinc/14/01/88/564140188.db2.gz QDUNGLIKCAZVEJ-GUYCJALGSA-N 1 0 335.517 3.673 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000095423200 564140215 /nfs/dbraw/zinc/14/02/15/564140215.db2.gz BVVSRSJNAHRTNO-IAUUXSOCSA-N 1 0 343.492 3.852 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cn(C(C)C)c2ccccc12 ZINC000095474867 564141370 /nfs/dbraw/zinc/14/13/70/564141370.db2.gz JSKQQVVKXIHVIZ-GOSISDBHSA-N 1 0 341.499 3.755 50 0 EHAARO FC(F)(F)c1cccc(CN2CCC([NH2+][C@H]3CCSC3)CC2)c1 ZINC000095967371 564143026 /nfs/dbraw/zinc/14/30/26/564143026.db2.gz WYDGRQACVJWDKR-INIZCTEOSA-N 1 0 344.446 3.765 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc2ccccc2n1 ZINC000095969224 564143386 /nfs/dbraw/zinc/14/33/86/564143386.db2.gz DSCVZDJDOYTSMP-GOEBONIOSA-N 1 0 336.414 3.698 50 0 EHAARO COc1ccc2[nH]cc(C3=CC[N@H+](CCCn4ccnc4)CC3)c2c1 ZINC000095987319 564143970 /nfs/dbraw/zinc/14/39/70/564143970.db2.gz IROCSCVMKZRWAI-UHFFFAOYSA-N 1 0 336.439 3.552 50 0 EHAARO Cc1nccn1Cc1cccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000096476579 564148412 /nfs/dbraw/zinc/14/84/12/564148412.db2.gz PIVNZZVGJUZJSP-INIZCTEOSA-N 1 0 337.471 3.868 50 0 EHAARO C[C@H](C[N@@H+]1CCC[C@@H]1c1nncn1C)c1ccc(C(F)(F)F)cc1 ZINC000283324378 564148909 /nfs/dbraw/zinc/14/89/09/564148909.db2.gz OXJVSTILDSUQJO-IUODEOHRSA-N 1 0 338.377 3.775 50 0 EHAARO O=C(NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1Cl ZINC000057288860 564153496 /nfs/dbraw/zinc/15/34/96/564153496.db2.gz AJJMCYXUASYJIS-UHFFFAOYSA-N 1 0 329.271 3.989 50 0 EHAARO CCCCOc1ccc(C(=O)NCc2cn3ccc(C)cc3n2)cc1 ZINC000002960761 564153797 /nfs/dbraw/zinc/15/37/97/564153797.db2.gz JZJNCXAGSRJXCS-UHFFFAOYSA-N 1 0 337.423 3.752 50 0 EHAARO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057432085 564154301 /nfs/dbraw/zinc/15/43/01/564154301.db2.gz SRCBQPGZXAXEHF-AEFFLSMTSA-N 1 0 326.465 3.905 50 0 EHAARO COc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000003345898 564157503 /nfs/dbraw/zinc/15/75/03/564157503.db2.gz RRHNINYVVGCMPG-UHFFFAOYSA-N 1 0 330.472 3.614 50 0 EHAARO C[N@H+](CC(=O)NCC[C@H](c1ccco1)c1ccccc1)C1CCCC1 ZINC000670459577 564160866 /nfs/dbraw/zinc/16/08/66/564160866.db2.gz NNUYZIGXIDIPFT-IBGZPJMESA-N 1 0 340.467 3.792 50 0 EHAARO CC(=O)c1c(F)cccc1N1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171365521 564164147 /nfs/dbraw/zinc/16/41/47/564164147.db2.gz CIUVLNRBTMNVSJ-HNNXBMFYSA-N 1 0 327.403 3.670 50 0 EHAARO Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000008607934 564166007 /nfs/dbraw/zinc/16/60/07/564166007.db2.gz GGIFZHLWLXNLAU-UHFFFAOYSA-N 1 0 343.515 3.649 50 0 EHAARO CN1CCC([N@H+](C)C[C@H]2CC[C@@H](Cc3ccc4occc4c3)O2)CC1 ZINC000067872799 564167165 /nfs/dbraw/zinc/16/71/65/564167165.db2.gz LRXGETKDHUKSIK-VQTJNVASSA-N 1 0 342.483 3.549 50 0 EHAARO Cc1ccnc([C@H](Nc2cc(C3CC[NH2+]CC3)nc(C)n2)C2CC2)c1 ZINC000067894752 564167300 /nfs/dbraw/zinc/16/73/00/564167300.db2.gz OMOKLJDSEYENSE-HXUWFJFHSA-N 1 0 337.471 3.519 50 0 EHAARO CCc1cc(NCc2c(C)nn(CC)c2C)nc(-c2ccncc2)n1 ZINC000068699521 564167640 /nfs/dbraw/zinc/16/76/40/564167640.db2.gz AFRGCLQMFQMODY-UHFFFAOYSA-N 1 0 336.443 3.546 50 0 EHAARO C[C@@H](O)C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000040009488 564167817 /nfs/dbraw/zinc/16/78/17/564167817.db2.gz ASSYXOANKQXVIT-GFCCVEGCSA-N 1 0 325.330 3.968 50 0 EHAARO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3ccccc3C2)cc1 ZINC000040057154 564167853 /nfs/dbraw/zinc/16/78/53/564167853.db2.gz OVPSOCDGWPJJTD-NRFANRHFSA-N 1 0 334.463 3.717 50 0 EHAARO CCOc1cccc(NC(=O)N2CCC(C[NH+](CC)CC)CC2)c1 ZINC000071808673 564175577 /nfs/dbraw/zinc/17/55/77/564175577.db2.gz GQGHOPIHVOBUTN-UHFFFAOYSA-N 1 0 333.476 3.671 50 0 EHAARO CC[N@H+](C[C@H](O)COC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010434722 564175738 /nfs/dbraw/zinc/17/57/38/564175738.db2.gz WDLAPJSBMOTMOC-WYGOJCFESA-N 1 0 335.532 3.987 50 0 EHAARO C[N@H+](CCCc1nc2ccccc2o1)C[C@@H]1COc2ccccc2O1 ZINC000077409904 564176719 /nfs/dbraw/zinc/17/67/19/564176719.db2.gz PJRIBFACXQWZNH-OAHLLOKOSA-N 1 0 338.407 3.532 50 0 EHAARO O=C(Nc1ccccc1OC1CCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171524260 1034437653 /nfs/dbraw/zinc/43/76/53/1034437653.db2.gz MXWCZSINWLDJSH-MRXNPFEDSA-N 1 0 343.471 3.710 50 0 EHAARO C(CC1CC[NH+](C2CCCC2)CC1)c1noc(C2CCOCC2)n1 ZINC000675024492 1039940291 /nfs/dbraw/zinc/94/02/91/1039940291.db2.gz HZDONZYLVJDCNO-UHFFFAOYSA-N 1 0 333.476 3.551 50 0 EHAARO COCc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000119564330 1044107928 /nfs/dbraw/zinc/10/79/28/1044107928.db2.gz PEPJDGSUNABLEY-HNNXBMFYSA-N 1 0 327.424 3.845 50 0 EHAARO Cc1nc2ccc(NC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)cc2o1 ZINC000174812377 1121603477 /nfs/dbraw/zinc/60/34/77/1121603477.db2.gz ULVBSFKNMLDDEY-MRXNPFEDSA-N 1 0 342.443 3.522 50 0 EHAARO CC(C)Cc1ccc([C@H](C)[NH2+]CCn2c(=O)oc3cccnc32)cc1 ZINC000181405863 1124811402 /nfs/dbraw/zinc/81/14/02/1124811402.db2.gz UXCXBMIOWBDYAS-HNNXBMFYSA-N 1 0 339.439 3.539 50 0 EHAARO Cc1ccc(-c2ccccc2[C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCC[N@@H+]24)o1 ZINC000012200824 1129411549 /nfs/dbraw/zinc/41/15/49/1129411549.db2.gz WMYBGPGDLMPNEE-XERREHJYSA-N 1 0 336.435 3.623 50 0 EHAARO Cc1nc[nH]c1C[NH2+][C@@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000012306437 1129508140 /nfs/dbraw/zinc/50/81/40/1129508140.db2.gz MGJNRBQPBWSLPH-CQSZACIVSA-N 1 0 327.476 3.609 50 0 EHAARO COc1ccc(C[N@@H+]2CC[C@@H](n3c(C)cnc3C3CC3)C2)cc1C ZINC000575549506 1131572181 /nfs/dbraw/zinc/57/21/81/1131572181.db2.gz MTGVOOKOKSOWTF-GOSISDBHSA-N 1 0 325.456 3.833 50 0 EHAARO CNc1ncccc1C[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)CC1 ZINC000065398242 1132151845 /nfs/dbraw/zinc/15/18/45/1132151845.db2.gz CELSCUMKOBKURV-NRFANRHFSA-N 1 0 335.451 3.954 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)Cc2ccsc2)CC1 ZINC000581787968 1132356359 /nfs/dbraw/zinc/35/63/59/1132356359.db2.gz MLCOUNGCQQZKQS-SFHVURJKSA-N 1 0 334.529 3.794 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000581787891 1132356598 /nfs/dbraw/zinc/35/65/98/1132356598.db2.gz HEOHNBBMJAKNCZ-KRWDZBQOSA-N 1 0 332.463 3.800 50 0 EHAARO CCN(CC)C(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000581802745 1132362892 /nfs/dbraw/zinc/36/28/92/1132362892.db2.gz PAQDJROXHZDZID-LJQANCHMSA-N 1 0 343.515 3.996 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)C2CCCCC2)CC1 ZINC000581807846 1132371641 /nfs/dbraw/zinc/37/16/41/1132371641.db2.gz BYKMPJMALXMJGV-UHFFFAOYSA-N 1 0 329.488 3.888 50 0 EHAARO CCOc1cc2c(cc1C[N@H+]1CCC3(CC(OCC)C3)C1)O[C@H](C)C2 ZINC000585081844 1136965314 /nfs/dbraw/zinc/96/53/14/1136965314.db2.gz KZJLZASRTIVLSM-AZOSJMHDSA-N 1 0 345.483 3.800 50 0 EHAARO Fc1cccc(F)c1C[N@H+](CCn1ccnc1)C1CCSCC1 ZINC000585116280 1137005878 /nfs/dbraw/zinc/00/58/78/1137005878.db2.gz OUNLMKFNJGIIKM-UHFFFAOYSA-N 1 0 337.439 3.559 50 0 EHAARO Fc1ccccc1COC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000585123926 1137013474 /nfs/dbraw/zinc/01/34/74/1137013474.db2.gz PUZVULRJEXFRQN-UHFFFAOYSA-N 1 0 330.403 3.872 50 0 EHAARO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(CO)cc2)cc1)C(C)C ZINC000585130470 1137019722 /nfs/dbraw/zinc/01/97/22/1137019722.db2.gz QYFJSZSTQGSGBG-UHFFFAOYSA-N 1 0 326.440 3.662 50 0 EHAARO Cc1cccc2cc(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)c(Cl)nc12 ZINC000585135391 1137021883 /nfs/dbraw/zinc/02/18/83/1137021883.db2.gz GZPPTXIDADFCMY-CYBMUJFWSA-N 1 0 343.858 3.577 50 0 EHAARO c1cnn(-c2ccc(CC[NH2+][C@@H]3CCCNc4ccccc43)cc2)c1 ZINC000192643734 1137456218 /nfs/dbraw/zinc/45/62/18/1137456218.db2.gz OUIIBESYRFHQDC-OAQYLSRUSA-N 1 0 332.451 3.951 50 0 EHAARO CC(C)c1nnsc1C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952868907 1137482944 /nfs/dbraw/zinc/48/29/44/1137482944.db2.gz BZMAYCUBSKHYRB-UHFFFAOYSA-N 1 0 344.484 3.900 50 0 EHAARO Fc1ccccc1OC1CC[NH+](C2CSCCSC2)CC1 ZINC000952983827 1137485362 /nfs/dbraw/zinc/48/53/62/1137485362.db2.gz WHIMPHHCJFZMNL-UHFFFAOYSA-N 1 0 327.490 3.518 50 0 EHAARO CC(C)C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cccc1 ZINC000886024157 1138033063 /nfs/dbraw/zinc/03/30/63/1138033063.db2.gz MFDNVVHRBFBNBY-ZCNNSNEGSA-N 1 0 345.531 3.798 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1cccc(Cl)c1 ZINC000019720679 202016713 /nfs/dbraw/zinc/01/67/13/202016713.db2.gz MXNJWTCXQLVRJV-UHFFFAOYSA-N 1 0 335.831 3.698 50 0 EHAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000040023981 213251228 /nfs/dbraw/zinc/25/12/28/213251228.db2.gz NKSQUZZSMVUPND-UHFFFAOYSA-N 1 0 337.467 3.949 50 0 EHAARO O=C(Cc1ccccc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019773966 202019248 /nfs/dbraw/zinc/01/92/48/202019248.db2.gz BYWJZILVTHUDPN-UHFFFAOYSA-N 1 0 344.458 3.727 50 0 EHAARO CCOc1cc(CN2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)ccc1OC ZINC000019831778 202021832 /nfs/dbraw/zinc/02/18/32/202021832.db2.gz DXNPGRXEKLISFW-PKOBYXMFSA-N 1 0 346.515 3.790 50 0 EHAARO CCOc1c(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)cc1OC ZINC000020476813 202044314 /nfs/dbraw/zinc/04/43/14/202044314.db2.gz OEXCGISTRNEMNC-MRXNPFEDSA-N 1 0 335.831 3.571 50 0 EHAARO Cc1nn(C2CCCC2)c2[nH]c(-c3cc(C[NH+](C)C)cs3)nc12 ZINC000020782220 202055335 /nfs/dbraw/zinc/05/53/35/202055335.db2.gz KTXZTWKLRKUJHA-UHFFFAOYSA-N 1 0 329.473 3.973 50 0 EHAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000022891151 202094297 /nfs/dbraw/zinc/09/42/97/202094297.db2.gz XVZUHOXEGVUMQM-OAQYLSRUSA-N 1 0 346.478 3.874 50 0 EHAARO CN(Cc1ccon1)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000023541869 202106245 /nfs/dbraw/zinc/10/62/45/202106245.db2.gz SEPUIXINVCFTII-QGZVFWFLSA-N 1 0 347.890 3.715 50 0 EHAARO CCn1c(C)cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c1=O ZINC000024022870 202111345 /nfs/dbraw/zinc/11/13/45/202111345.db2.gz VAGZEQLXTLLQAW-LJQANCHMSA-N 1 0 344.430 3.597 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(COC)c2)cc1 ZINC000024140472 202113852 /nfs/dbraw/zinc/11/38/52/202113852.db2.gz LRJQCWVWLACVQN-UHFFFAOYSA-N 1 0 340.467 3.605 50 0 EHAARO C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(Cl)cc1 ZINC000026860952 202149355 /nfs/dbraw/zinc/14/93/55/202149355.db2.gz VJRZWCCDBNQZKJ-LLVKDONJSA-N 1 0 348.233 3.852 50 0 EHAARO O=C(CCSc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000039976177 202166223 /nfs/dbraw/zinc/16/62/23/202166223.db2.gz YTWAPUNYOIYYQX-GOSISDBHSA-N 1 0 340.492 3.560 50 0 EHAARO CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000028293139 202168969 /nfs/dbraw/zinc/16/89/69/202168969.db2.gz MSVXUEUIRHPERU-IBGZPJMESA-N 1 0 338.451 3.652 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc2ccccc2o1 ZINC000029838387 202191306 /nfs/dbraw/zinc/19/13/06/202191306.db2.gz IONKUWGYPHMKIC-UHFFFAOYSA-N 1 0 334.419 3.611 50 0 EHAARO C[N@H+](CC(=O)Nc1cccc2c1N=S=N2)[C@H]1CCc2ccccc21 ZINC000029485296 202187739 /nfs/dbraw/zinc/18/77/39/202187739.db2.gz SGZCNIZBQLDTJT-INIZCTEOSA-N 1 0 338.436 3.971 50 0 EHAARO c1ccc(-c2nc(SC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)n[nH]2)cc1 ZINC000033435713 202261417 /nfs/dbraw/zinc/26/14/17/202261417.db2.gz LVRKTHCBVHLACO-CVEARBPZSA-N 1 0 328.485 3.828 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC000034670315 202275404 /nfs/dbraw/zinc/27/54/04/202275404.db2.gz SQAKSVNMLVGUIF-KRWDZBQOSA-N 1 0 342.414 3.663 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000036079686 202312811 /nfs/dbraw/zinc/31/28/11/202312811.db2.gz MJSNJFJWKLJCPD-SFHVURJKSA-N 1 0 330.378 3.532 50 0 EHAARO CC[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000070928458 202337877 /nfs/dbraw/zinc/33/78/77/202337877.db2.gz RKBWZFSHNAPHAI-HXUWFJFHSA-N 1 0 337.467 3.608 50 0 EHAARO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccn3)cc2)cn1 ZINC000071797114 202353529 /nfs/dbraw/zinc/35/35/29/202353529.db2.gz VVKKWEQIXPZZCF-OAQYLSRUSA-N 1 0 348.450 3.731 50 0 EHAARO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072837640 202368906 /nfs/dbraw/zinc/36/89/06/202368906.db2.gz WRQZTGILGDQVEO-CABCVRRESA-N 1 0 335.448 3.982 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000299739914 202543508 /nfs/dbraw/zinc/54/35/08/202543508.db2.gz SUMMZYBDXVPSDQ-ASEORRQLSA-N 1 0 341.282 3.683 50 0 EHAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000023105486 212348574 /nfs/dbraw/zinc/34/85/74/212348574.db2.gz JTUHBCDHFROYCJ-INIZCTEOSA-N 1 0 332.469 3.568 50 0 EHAARO CCOC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c2cccc(OC)c12 ZINC000215269297 241117132 /nfs/dbraw/zinc/11/71/32/241117132.db2.gz CYIVPNAUVIXNMD-MRXNPFEDSA-N 1 0 329.440 3.858 50 0 EHAARO COCC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1Cl ZINC000216426986 241193135 /nfs/dbraw/zinc/19/31/35/241193135.db2.gz NXQGITUHKATZOF-AWEZNQCLSA-N 1 0 327.852 3.748 50 0 EHAARO Cn1cc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000215465504 241124816 /nfs/dbraw/zinc/12/48/16/241124816.db2.gz XUJYHUKVWYMCSQ-NRFANRHFSA-N 1 0 346.478 3.576 50 0 EHAARO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000225728994 242006691 /nfs/dbraw/zinc/00/66/91/242006691.db2.gz RILFARAQJKSPHG-BBRMVZONSA-N 1 0 349.862 3.558 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1C ZINC000226848342 242114943 /nfs/dbraw/zinc/11/49/43/242114943.db2.gz CKESOXJUHXOFCW-PXNSSMCTSA-N 1 0 339.483 3.779 50 0 EHAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000229502779 242167893 /nfs/dbraw/zinc/16/78/93/242167893.db2.gz HVMIASPINQGXDM-XJKSGUPXSA-N 1 0 339.391 3.888 50 0 EHAARO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000006086988 201673443 /nfs/dbraw/zinc/67/34/43/201673443.db2.gz ORYSDSTYPZRZIM-JZXOWHBKSA-N 1 0 337.891 3.730 50 0 EHAARO CC[N@H+](C)C1(CNC(=O)c2ccnc3ccc(C)cc32)CCCC1 ZINC000244701146 243060870 /nfs/dbraw/zinc/06/08/70/243060870.db2.gz KBBYCEOCEHWDHK-UHFFFAOYSA-N 1 0 325.456 3.538 50 0 EHAARO [NH3+][C@H]1C[C@H](c2cc(NCCc3cccc(Cl)c3)nc(C3CC3)n2)C1 ZINC000243885606 243026390 /nfs/dbraw/zinc/02/63/90/243026390.db2.gz AATUENQXCBMPFR-KOMQPUFPSA-N 1 0 342.874 3.867 50 0 EHAARO COc1cccc(OCC[NH+]2CCC(c3cccc(O)c3)CC2)c1 ZINC000244718906 243068290 /nfs/dbraw/zinc/06/82/90/243068290.db2.gz LTAMMPLULZBZPK-UHFFFAOYSA-N 1 0 327.424 3.659 50 0 EHAARO O=C(c1ccccc1)[C@@H]1CCC[N@H+](Cc2cc(-c3cccnc3)no2)C1 ZINC000244742152 243071643 /nfs/dbraw/zinc/07/16/43/243071643.db2.gz OCRLNGPJRXLOLP-GOSISDBHSA-N 1 0 347.418 3.832 50 0 EHAARO CC[N@@H+]1CCCN(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1 ZINC000091179175 203074407 /nfs/dbraw/zinc/07/44/07/203074407.db2.gz YMGKFJWMIWSYTF-UHFFFAOYSA-N 1 0 345.487 3.705 50 0 EHAARO C/C(=C\c1cc(Cl)ccc1O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000071681588 203102540 /nfs/dbraw/zinc/10/25/40/203102540.db2.gz HCBHVGZEIOCNTF-SHRNQRGKSA-N 1 0 348.874 3.536 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cc1=O ZINC000072145878 203169101 /nfs/dbraw/zinc/16/91/01/203169101.db2.gz TXMVBEYTZPCSKO-GOSISDBHSA-N 1 0 326.440 3.783 50 0 EHAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072144950 203169598 /nfs/dbraw/zinc/16/95/98/203169598.db2.gz BTRGNJVONJAKJI-QGZVFWFLSA-N 1 0 328.481 3.865 50 0 EHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)o1 ZINC000072145426 203169909 /nfs/dbraw/zinc/16/99/09/203169909.db2.gz VNNMEDZMGGRBDO-INIZCTEOSA-N 1 0 344.430 3.623 50 0 EHAARO COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072154678 203175264 /nfs/dbraw/zinc/17/52/64/203175264.db2.gz XMNPODOFIGQTCN-ZDUSSCGKSA-N 1 0 344.842 3.986 50 0 EHAARO O=C1C[C@@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)CN1c1ccccc1 ZINC000072158063 203176405 /nfs/dbraw/zinc/17/64/05/203176405.db2.gz PEMAHMMBQUNPPO-LJQANCHMSA-N 1 0 343.430 3.644 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](COc3cccc(C)c3)C2)c(C)n1 ZINC000072463164 203227640 /nfs/dbraw/zinc/22/76/40/203227640.db2.gz GTHRSONEBHVHOT-SFHVURJKSA-N 1 0 327.472 3.811 50 0 EHAARO C[C@H](CO)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072475115 203231053 /nfs/dbraw/zinc/23/10/53/203231053.db2.gz MYIWPIFYWJSVJZ-MRXNPFEDSA-N 1 0 341.499 3.947 50 0 EHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)CN1Cc1ccccc1 ZINC000072412492 203218604 /nfs/dbraw/zinc/21/86/04/203218604.db2.gz UQFBLZSKCCQZCK-OAQYLSRUSA-N 1 0 338.451 3.684 50 0 EHAARO CC(C)Nc1ccnc(N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000072424523 203222084 /nfs/dbraw/zinc/22/20/84/203222084.db2.gz TVFRAWDJZZTCKF-MRXNPFEDSA-N 1 0 343.450 3.513 50 0 EHAARO C[C@H](O)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072438663 203223929 /nfs/dbraw/zinc/22/39/29/203223929.db2.gz GRAQQGQJDLBUCX-INIZCTEOSA-N 1 0 341.499 3.947 50 0 EHAARO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(Br)cc1 ZINC000075103628 203300775 /nfs/dbraw/zinc/30/07/75/203300775.db2.gz XTGOGZPCFAOGHS-UHFFFAOYSA-N 1 0 328.250 3.661 50 0 EHAARO Cc1noc(C(C)C)c1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000075612660 203320910 /nfs/dbraw/zinc/32/09/10/203320910.db2.gz RJEAROVTTJBDEA-QGZVFWFLSA-N 1 0 341.455 3.501 50 0 EHAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCC(=O)OC(C)(C)C ZINC000076062645 203333967 /nfs/dbraw/zinc/33/39/67/203333967.db2.gz PSZRTSHFRCJJBE-UHFFFAOYSA-N 1 0 334.243 3.823 50 0 EHAARO c1cn([C@H]2COC[C@@H]2[NH+]2CCCCC2)c(-c2ccnc3ccccc32)n1 ZINC000077438935 203388171 /nfs/dbraw/zinc/38/81/71/203388171.db2.gz AJJLGIONOFJIEO-PMACEKPBSA-N 1 0 348.450 3.524 50 0 EHAARO Cc1c2ccc(C)c(C)c2oc1C(=O)N(C)CCCc1nccn1C ZINC000077505566 203392112 /nfs/dbraw/zinc/39/21/12/203392112.db2.gz HMERZCMCKSTKLY-UHFFFAOYSA-N 1 0 339.439 3.796 50 0 EHAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@H]1CCn1ccnc1C ZINC000077537581 203394484 /nfs/dbraw/zinc/39/44/84/203394484.db2.gz BVDGIURJYNXOGG-HNNXBMFYSA-N 1 0 349.910 3.586 50 0 EHAARO O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000082096539 203495019 /nfs/dbraw/zinc/49/50/19/203495019.db2.gz BQQPRSBFJWLKAG-OAHLLOKOSA-N 1 0 338.854 3.960 50 0 EHAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000107347176 204233379 /nfs/dbraw/zinc/23/33/79/204233379.db2.gz IOYRAHSBLQGCLG-SLFFLAALSA-N 1 0 326.484 3.657 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000237250995 204490827 /nfs/dbraw/zinc/49/08/27/204490827.db2.gz YQFBLQXQGKKXQJ-KRWDZBQOSA-N 1 0 331.504 3.682 50 0 EHAARO CC[C@@H](Oc1ccccc1)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029216 205670974 /nfs/dbraw/zinc/67/09/74/205670974.db2.gz RPUOHKOFHWSPMJ-QXAKKESOSA-N 1 0 331.456 3.652 50 0 biogenic EHAARO COc1cc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cc(OC)c1OC ZINC000095389623 218321453 /nfs/dbraw/zinc/32/14/53/218321453.db2.gz HOCHKFCBCWZGTR-QGZVFWFLSA-N 1 0 327.424 3.798 50 0 EHAARO Cc1ccc([C@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C(C)(C)C)o1 ZINC000095400338 218334201 /nfs/dbraw/zinc/33/42/01/218334201.db2.gz INNKCJLSWHAPDG-WBVHZDCISA-N 1 0 333.476 3.555 50 0 EHAARO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H](O)c1c(F)cccc1F ZINC000095415528 218353655 /nfs/dbraw/zinc/35/36/55/218353655.db2.gz WVIPRQZSPJMSDF-QLJPJBMISA-N 1 0 338.423 3.901 50 0 EHAARO C[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000012223515 207075716 /nfs/dbraw/zinc/07/57/16/207075716.db2.gz PRCNTEPSPZRYIO-CYBMUJFWSA-N 1 0 343.393 3.947 50 0 EHAARO CC(C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)c1cccnc1 ZINC000097237720 219003273 /nfs/dbraw/zinc/00/32/73/219003273.db2.gz PLHFXTNGUNRELG-KRWDZBQOSA-N 1 0 330.501 3.536 50 0 EHAARO COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@@H](O)c1ccccc1 ZINC000004867600 210306801 /nfs/dbraw/zinc/30/68/01/210306801.db2.gz LEFVRXOMVVUFKQ-LJQANCHMSA-N 1 0 341.451 3.840 50 0 EHAARO CCSc1ccc(Cl)cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000097379633 219020398 /nfs/dbraw/zinc/02/03/98/219020398.db2.gz QPVCYOMGNKDAEG-GFCCVEGCSA-N 1 0 341.908 3.867 50 0 EHAARO COc1cccc(CC[NH2+]Cc2cc3ccc(C)cc3nc2N(C)C)c1 ZINC000299781799 258090083 /nfs/dbraw/zinc/09/00/83/258090083.db2.gz XPOVCXKEENLFNH-UHFFFAOYSA-N 1 0 349.478 3.950 50 0 EHAARO CC[N@H+](C)C[C@H](C)CNC(=O)c1cccc(-c2ccccc2F)c1 ZINC000299785333 258092567 /nfs/dbraw/zinc/09/25/67/258092567.db2.gz XTUNGZRRJOVDCW-OAHLLOKOSA-N 1 0 328.431 3.810 50 0 EHAARO FC(F)(F)c1ccc2c(c1)nc([C@H]1CCCO1)n2C1CC[NH2+]CC1 ZINC000299795550 258099893 /nfs/dbraw/zinc/09/98/93/258099893.db2.gz MNNBQBBLAVWRKD-OAHLLOKOSA-N 1 0 339.361 3.831 50 0 EHAARO Cc1ncc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cn1 ZINC000299801096 258104444 /nfs/dbraw/zinc/10/44/44/258104444.db2.gz XTWRRWCMFDQXND-KSZLIROESA-N 1 0 347.422 3.528 50 0 EHAARO C[N@H+](Cc1cnc(SCc2ccccc2)nc1)[C@@H]1CCCC[C@@H]1O ZINC000215978098 258072434 /nfs/dbraw/zinc/07/24/34/258072434.db2.gz JJPSRIYAUOWPQQ-MSOLQXFVSA-N 1 0 343.496 3.504 50 0 EHAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000299765367 258080213 /nfs/dbraw/zinc/08/02/13/258080213.db2.gz FZJBUSCHSSQGBL-GOSISDBHSA-N 1 0 339.483 3.923 50 0 EHAARO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000242304978 525504510 /nfs/dbraw/zinc/50/45/10/525504510.db2.gz YTTLJFIEHCVIJE-QGPMSJSTSA-N 1 0 334.504 3.818 50 0 EHAARO CC(=O)c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000225827085 534870774 /nfs/dbraw/zinc/87/07/74/534870774.db2.gz VOJNKYDWMWYNBA-NRFANRHFSA-N 1 0 339.435 3.559 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000000257475 563267910 /nfs/dbraw/zinc/26/79/10/563267910.db2.gz KYMDWKGHAZIHNA-STQMWFEESA-N 1 0 339.277 3.756 50 0 in-vitro EHAARO COc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1OC ZINC000000292755 563274143 /nfs/dbraw/zinc/27/41/43/563274143.db2.gz XKZOYOWPADDVDA-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO COc1ccc(OC)c(CN2CCC([NH+]3CCCCCC3)CC2)c1 ZINC000000317587 563283427 /nfs/dbraw/zinc/28/34/27/563283427.db2.gz CLLAAYNFTDRUEM-UHFFFAOYSA-N 1 0 332.488 3.544 50 0 EHAARO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000004738620 563509567 /nfs/dbraw/zinc/50/95/67/563509567.db2.gz DYKDQINANQCJSQ-UHFFFAOYSA-N 1 0 337.467 3.643 50 0 EHAARO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000004744998 563509960 /nfs/dbraw/zinc/50/99/60/563509960.db2.gz NGZGVRZUOVROIX-HXUWFJFHSA-N 1 0 328.500 3.864 50 0 EHAARO Cc1ccc(N2C[C@@](O)(c3cccs3)[N+]3=C2CCCCC3)cc1 ZINC000002974486 563623502 /nfs/dbraw/zinc/62/35/02/563623502.db2.gz OYXAYPSJFIELGX-LJQANCHMSA-N 1 0 327.473 3.707 50 0 EHAARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000002966469 563624307 /nfs/dbraw/zinc/62/43/07/563624307.db2.gz WEBOOTVXBRJVCU-HXUWFJFHSA-N 1 0 341.862 3.909 50 0 EHAARO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062801 563641463 /nfs/dbraw/zinc/64/14/63/563641463.db2.gz QGGCVUSUOOJOCG-UHFFFAOYSA-N 1 0 334.529 3.547 50 0 EHAARO CN(C(=O)c1cccs1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011717830 563650640 /nfs/dbraw/zinc/65/06/40/563650640.db2.gz WKEPDDPZWZQBDA-KRWDZBQOSA-N 1 0 328.481 3.527 50 0 EHAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011937496 563652282 /nfs/dbraw/zinc/65/22/82/563652282.db2.gz ONKZAMARCNMZDO-FQEVSTJZSA-N 1 0 343.515 3.697 50 0 EHAARO CCn1ccnc1C[N@@H+]1CCC[C@H](CCc2cccc(OC)c2)C1 ZINC000012438713 563660677 /nfs/dbraw/zinc/66/06/77/563660677.db2.gz XUTAUUPKVXRRQN-GOSISDBHSA-N 1 0 327.472 3.756 50 0 EHAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000012448023 563661211 /nfs/dbraw/zinc/66/12/11/563661211.db2.gz LYHDVCBRWHBKEK-IBGZPJMESA-N 1 0 338.451 3.964 50 0 EHAARO COc1cccc(Cn2cccc2C[N@H+](CCC(C)C)C[C@@H](C)O)c1 ZINC000004406691 563685285 /nfs/dbraw/zinc/68/52/85/563685285.db2.gz XEXVZQSPDMPXFX-GOSISDBHSA-N 1 0 344.499 3.774 50 0 EHAARO c1ccc(-n2nnnc2Oc2cccc(C[NH2+]C3CCCCC3)c2)cc1 ZINC000013717622 563715716 /nfs/dbraw/zinc/71/57/16/563715716.db2.gz YWDCFDKZYUBKBN-UHFFFAOYSA-N 1 0 349.438 3.877 50 0 EHAARO Cc1ccc(C[N@H+]2CCC(=O)N(Cc3cccc(Cl)c3)CC2)s1 ZINC000014993138 563770928 /nfs/dbraw/zinc/77/09/28/563770928.db2.gz VTCJCXJETYYSPI-UHFFFAOYSA-N 1 0 348.899 3.944 50 0 EHAARO COCCNC(=O)CCC1CC[NH+](C[C@H](C)CCC=C(C)C)CC1 ZINC000015064250 563774725 /nfs/dbraw/zinc/77/47/25/563774725.db2.gz YUPSMDLALAOUCX-GOSISDBHSA-N 1 0 338.536 3.624 50 0 EHAARO C[N@H+](CC(=O)N1CCc2ccccc2C1)[C@H]1CCCc2ccccc21 ZINC000016342734 563809465 /nfs/dbraw/zinc/80/94/65/563809465.db2.gz SKNNPNCIXNDKME-NRFANRHFSA-N 1 0 334.463 3.581 50 0 EHAARO c1nc2sc3c(c2c(N[C@H]2CC[N@@H+]4CCCC[C@@H]24)n1)CCCCC3 ZINC000032932672 563843089 /nfs/dbraw/zinc/84/30/89/563843089.db2.gz GVFSWYXZKIPEJN-GJZGRUSLSA-N 1 0 342.512 3.999 50 0 EHAARO CSc1ccsc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187243339 563851306 /nfs/dbraw/zinc/85/13/06/563851306.db2.gz SFWQNYDVNRUVPA-SWLSCSKDSA-N 1 0 334.510 3.891 50 0 EHAARO CCOC(=O)N1CCC([NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000000757769 563917743 /nfs/dbraw/zinc/91/77/43/563917743.db2.gz HDGMWIINWWJHKJ-UHFFFAOYSA-N 1 0 345.270 3.746 50 0 EHAARO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000023281841 563918645 /nfs/dbraw/zinc/91/86/45/563918645.db2.gz HIBJOKIZBDTURP-HNNXBMFYSA-N 1 0 344.842 3.830 50 0 EHAARO COc1ccccc1C[NH2+]CCc1cc(OC)c(Cl)cc1OC ZINC000045331675 563929060 /nfs/dbraw/zinc/92/90/60/563929060.db2.gz FJFPOGCVVLUYAQ-UHFFFAOYSA-N 1 0 335.831 3.698 50 0 in-vitro EHAARO CCc1nn(C)c(Cl)c1CN(CC[NH+](C)C)Cc1ccccc1C ZINC000055134211 563933810 /nfs/dbraw/zinc/93/38/10/563933810.db2.gz CREAPJFEGDFRKL-UHFFFAOYSA-N 1 0 348.922 3.508 50 0 EHAARO c1nc2c([nH]1)C1(CCCCC1)N(C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000055269814 563934324 /nfs/dbraw/zinc/93/43/24/563934324.db2.gz SFESPDWQHIKBQU-PKOBYXMFSA-N 1 0 342.531 3.692 50 0 EHAARO Cc1n[nH]c(C)c1CCC[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055310671 563934388 /nfs/dbraw/zinc/93/43/88/563934388.db2.gz AVPYUDAPUDHVKU-UHFFFAOYSA-N 1 0 335.455 3.514 50 0 EHAARO CC(C)C/C=C(/C[NH+]1CCC(n2cc([C@@H](C)O)nn2)CC1)C(C)C ZINC000055358395 563934592 /nfs/dbraw/zinc/93/45/92/563934592.db2.gz HVHLPBDZCIBEPG-TYJIQLQKSA-N 1 0 334.508 3.597 50 0 EHAARO O=C(c1cc2ccccc2s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058202425 563939789 /nfs/dbraw/zinc/93/97/89/563939789.db2.gz BBMNUTUYMCEWPX-UHFFFAOYSA-N 1 0 328.481 3.992 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1csc(C(C)C)n1)c1ccco1 ZINC000058280278 563941476 /nfs/dbraw/zinc/94/14/76/563941476.db2.gz ZBOCMXYJUXOVQR-HNNXBMFYSA-N 1 0 349.500 3.601 50 0 EHAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000058358135 563943642 /nfs/dbraw/zinc/94/36/42/563943642.db2.gz KTOSFGZVCFHLDM-NRFANRHFSA-N 1 0 347.462 3.769 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000058420645 563945741 /nfs/dbraw/zinc/94/57/41/563945741.db2.gz IEPVRUQQAQNLFO-HNNXBMFYSA-N 1 0 343.496 3.641 50 0 EHAARO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)Cc1cccs1 ZINC000096478488 563955122 /nfs/dbraw/zinc/95/51/22/563955122.db2.gz ACORLNWPTVIWOC-KGLIPLIRSA-N 1 0 337.510 3.681 50 0 EHAARO Cc1ccc(-c2ccc(N3CCC([NH2+]CCCCO)CC3)cc2)cc1 ZINC000063855560 563956107 /nfs/dbraw/zinc/95/61/07/563956107.db2.gz HKYNKUPFNFOIQA-UHFFFAOYSA-N 1 0 338.495 3.993 50 0 EHAARO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C[C@H]1O ZINC000067541295 563962337 /nfs/dbraw/zinc/96/23/37/563962337.db2.gz DMNQWZDVXQMDND-SJLPKXTDSA-N 1 0 326.465 3.888 50 0 EHAARO Cc1c2ccccc2oc1C[N@@H+]1CC[C@H](CNC(=O)c2ccco2)C1 ZINC000067587698 563962383 /nfs/dbraw/zinc/96/23/83/563962383.db2.gz PHQPTRWOXJGJGZ-OAHLLOKOSA-N 1 0 338.407 3.586 50 0 EHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1c[nH]nc1-c1ccccc1 ZINC000067654911 563962431 /nfs/dbraw/zinc/96/24/31/563962431.db2.gz JQHNXJMORODALZ-UHFFFAOYSA-N 1 0 342.406 3.905 50 0 EHAARO Cc1cc(C)c(-c2nccn2CCc2ccccn2)c(-n2cccn2)c1 ZINC000067769891 563962685 /nfs/dbraw/zinc/96/26/85/563962685.db2.gz MFYUJSJMMGUDAC-UHFFFAOYSA-N 1 0 343.434 3.990 50 0 EHAARO COCCC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067804846 563962755 /nfs/dbraw/zinc/96/27/55/563962755.db2.gz DHHACLVYTYBTIU-UHFFFAOYSA-N 1 0 347.842 3.944 50 0 EHAARO COc1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](CC(C)C)C2)cc(Cl)c1O ZINC000067885776 563963006 /nfs/dbraw/zinc/96/30/06/563963006.db2.gz QJURKOGWJFHRGB-KBXCAEBGSA-N 1 0 341.879 3.673 50 0 EHAARO C[N@@H+]1CCCC2(CCN(C(=O)c3ccc4ncccc4c3)CC2)CC1 ZINC000067946893 563963076 /nfs/dbraw/zinc/96/30/76/563963076.db2.gz HDGHYGFOJDZQPG-UHFFFAOYSA-N 1 0 337.467 3.573 50 0 EHAARO Clc1ccccc1-c1cc(C2CCN([C@H]3CCC[NH2+]C3)CC2)[nH]n1 ZINC000067920289 563963120 /nfs/dbraw/zinc/96/31/20/563963120.db2.gz LLEUZHNBPOCIQA-HNNXBMFYSA-N 1 0 344.890 3.662 50 0 EHAARO CC(C)[C@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000097010734 563966638 /nfs/dbraw/zinc/96/66/38/563966638.db2.gz KGTWQOPKPKFAHD-AWEZNQCLSA-N 1 0 331.485 3.801 50 0 EHAARO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c(Br)c1 ZINC000097034581 563966915 /nfs/dbraw/zinc/96/69/15/563966915.db2.gz SGKAVXBGEIDYGJ-SDDRHHMPSA-N 1 0 328.250 3.533 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)s2)o1 ZINC000097081306 563967239 /nfs/dbraw/zinc/96/72/39/563967239.db2.gz ZCDSMADWMXFSFS-OCCSQVGLSA-N 1 0 332.469 3.871 50 0 EHAARO c1c2ccccc2oc1-c1noc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000097103473 563967606 /nfs/dbraw/zinc/96/76/06/563967606.db2.gz YJGZJQZROKUVII-OAHLLOKOSA-N 1 0 339.395 3.799 50 0 EHAARO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)SCC(=O)N2 ZINC000097234828 563970824 /nfs/dbraw/zinc/97/08/24/563970824.db2.gz PTYOGJCOPYAFGH-UWVGGRQHSA-N 1 0 328.503 3.647 50 0 EHAARO COc1ccccc1[C@@H](C)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000097037800 563971312 /nfs/dbraw/zinc/97/13/12/563971312.db2.gz MQDAFLMYJOIBOF-MRXNPFEDSA-N 1 0 340.467 3.825 50 0 EHAARO COCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)o1 ZINC000097327212 563973440 /nfs/dbraw/zinc/97/34/40/563973440.db2.gz ONNQSEZQYGWELS-OAHLLOKOSA-N 1 0 342.439 3.910 50 0 EHAARO COc1ccnc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c1OC ZINC000091306136 563975277 /nfs/dbraw/zinc/97/52/77/563975277.db2.gz XSBOFKPVHSIQGW-FQEVSTJZSA-N 1 0 326.440 3.653 50 0 EHAARO Cc1ccsc1[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000091726159 563975713 /nfs/dbraw/zinc/97/57/13/563975713.db2.gz FJRXOSIMOOTGKH-INIZCTEOSA-N 1 0 346.471 3.646 50 0 EHAARO O=C(CCCN1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1)c1ccc(F)cc1 ZINC000092081397 563976050 /nfs/dbraw/zinc/97/60/50/563976050.db2.gz BBYIALZIJNORFM-FXAWDEMLSA-N 1 0 344.474 3.595 50 0 EHAARO C[C@@H]1CN(CCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000016247288 563976146 /nfs/dbraw/zinc/97/61/46/563976146.db2.gz BONSDELIHFKTAA-PHIMTYICSA-N 1 0 348.668 3.591 50 0 EHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000095367730 563976819 /nfs/dbraw/zinc/97/68/19/563976819.db2.gz OBAMXGCAQOKKBL-INIZCTEOSA-N 1 0 340.920 3.564 50 0 EHAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@H]2[NH+](C)C)cc1 ZINC000095520393 563977347 /nfs/dbraw/zinc/97/73/47/563977347.db2.gz QGDCAFYXDSRLDL-PZJWPPBQSA-N 1 0 347.462 3.646 50 0 EHAARO O=C(Nc1cccc2ncccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000095524121 563977402 /nfs/dbraw/zinc/97/74/02/563977402.db2.gz AZZKMQRWXGMLDO-UHFFFAOYSA-N 1 0 338.455 3.717 50 0 EHAARO COc1ccc(-c2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000096180041 563980063 /nfs/dbraw/zinc/98/00/63/563980063.db2.gz SAQXIQXCRYBGPN-UHFFFAOYSA-N 1 0 339.439 3.532 50 0 EHAARO COCC[C@@H]1CN(Cc2cccc(Oc3ccccc3)c2)CCO1 ZINC000097468067 563981524 /nfs/dbraw/zinc/98/15/24/563981524.db2.gz DSHIOAXQTMXNQH-HXUWFJFHSA-N 1 0 327.424 3.716 50 0 EHAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(-c3ccco3)cc2)CC1 ZINC000097495083 563981585 /nfs/dbraw/zinc/98/15/85/563981585.db2.gz QMQQRHZMCOFKAC-KRWDZBQOSA-N 1 0 327.428 3.895 50 0 EHAARO CC[NH+]1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000000149263 563987335 /nfs/dbraw/zinc/98/73/35/563987335.db2.gz VXCKDYAKEYHJTP-UHFFFAOYSA-N 1 0 342.443 3.639 50 0 EHAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000000212331 563988526 /nfs/dbraw/zinc/98/85/26/563988526.db2.gz DKXXVOUCTYPEQF-IBGZPJMESA-N 1 0 344.499 3.700 50 0 EHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)C1 ZINC000178992376 563996325 /nfs/dbraw/zinc/99/63/25/563996325.db2.gz QLLDHTNAVWIATG-AWEZNQCLSA-N 1 0 344.405 3.622 50 0 EHAARO CC(=O)N1CCC([NH2+]CC[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000072743051 563999907 /nfs/dbraw/zinc/99/99/07/563999907.db2.gz NYNNENPMPSHAOU-ZDUSSCGKSA-N 1 0 342.405 3.800 50 0 EHAARO C[NH+]1CCC([C@]2(O)c3ccsc3SCc3ccccc32)CC1 ZINC000005510092 564004878 /nfs/dbraw/zinc/00/48/78/564004878.db2.gz RBIZGRHTTSFDPW-GOSISDBHSA-N 1 0 331.506 3.932 50 0 EHAARO COc1cccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000273442674 564007784 /nfs/dbraw/zinc/00/77/84/564007784.db2.gz NQAWWRVIFBTFMA-MSOLQXFVSA-N 1 0 330.403 3.581 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000107058437 564026791 /nfs/dbraw/zinc/02/67/91/564026791.db2.gz FJJRPJUFZWEZTG-HSMVNMDESA-N 1 0 326.843 3.777 50 0 EHAARO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000044954595 564027895 /nfs/dbraw/zinc/02/78/95/564027895.db2.gz MOQFIKUSQNEYLB-VQIMIIECSA-N 1 0 344.499 3.670 50 0 EHAARO C[C@H](CCc1cccn1C)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000108357953 564028128 /nfs/dbraw/zinc/02/81/28/564028128.db2.gz MQPAAUFQRLSRCG-QWFCFKBJSA-N 1 0 325.500 3.771 50 0 EHAARO Cc1cc([C@H]2CCCN2Cc2nnc(-c3cccc(F)c3)o2)on1 ZINC000075640499 564032012 /nfs/dbraw/zinc/03/20/12/564032012.db2.gz IYGMRPJVPDZTBJ-CQSZACIVSA-N 1 0 328.347 3.509 50 0 EHAARO Cc1nc2cc(CNC(=O)Cc3ccc(F)cc3Cl)ccc2[nH]1 ZINC000215676442 564033636 /nfs/dbraw/zinc/03/36/36/564033636.db2.gz ZRRVXAUTEMROLS-UHFFFAOYSA-N 1 0 331.778 3.523 50 0 EHAARO CC[NH+](CC)C[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421950 564051236 /nfs/dbraw/zinc/05/12/36/564051236.db2.gz KFAPOBCKSGZWIB-CQSZACIVSA-N 1 0 334.891 3.876 50 0 EHAARO Cc1ccncc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000241277737 564051930 /nfs/dbraw/zinc/05/19/30/564051930.db2.gz LISUTRPWCXXSGN-KXBFYZLASA-N 1 0 347.865 3.965 50 0 EHAARO CCC[N@@H+](Cc1ccc2c3c1cccc3C(=O)OC2)C[C@@H]1CCCO1 ZINC000252482213 564053340 /nfs/dbraw/zinc/05/33/40/564053340.db2.gz DASQVANFMUALIQ-KRWDZBQOSA-N 1 0 339.435 3.901 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2C)CC1 ZINC000012543220 564058771 /nfs/dbraw/zinc/05/87/71/564058771.db2.gz ZHTGPAYGEICTPB-UHFFFAOYSA-N 1 0 337.467 3.698 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000084736383 564069941 /nfs/dbraw/zinc/06/99/41/564069941.db2.gz XHOKHGATJYCMHL-QFBILLFUSA-N 1 0 339.483 3.608 50 0 EHAARO Cc1[nH]c2ccc(C[NH2+]Cc3ccc([S@@](C)=O)cc3)cc2c1C ZINC000085305821 564072461 /nfs/dbraw/zinc/07/24/61/564072461.db2.gz OYEZWOUTACCIGY-QHCPKHFHSA-N 1 0 326.465 3.812 50 0 EHAARO Cc1csc2nc(C[N@@H+](CC(C)C)C3CCCCC3)cc(=O)n12 ZINC000063607902 564073371 /nfs/dbraw/zinc/07/33/71/564073371.db2.gz JPSRUNIJZMNOQH-UHFFFAOYSA-N 1 0 333.501 3.855 50 0 EHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000078897715 564075170 /nfs/dbraw/zinc/07/51/70/564075170.db2.gz AWHQVURPPNRHPK-BBRMVZONSA-N 1 0 342.405 3.688 50 0 EHAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)nc1 ZINC000088523160 564079531 /nfs/dbraw/zinc/07/95/31/564079531.db2.gz DWCWLDIWFRYICF-FQEVSTJZSA-N 1 0 325.456 3.883 50 0 EHAARO C[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1cc2cc(Cl)ccc2o1 ZINC000130059935 564082858 /nfs/dbraw/zinc/08/28/58/564082858.db2.gz VMANCCXWQUJTTM-QWHCGFSZSA-N 1 0 349.862 3.740 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000090406864 564084395 /nfs/dbraw/zinc/08/43/95/564084395.db2.gz ZKVNZLAHTGEAMH-TZMCWYRMSA-N 1 0 339.505 3.749 50 0 EHAARO Cc1ncc([C@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)c(C)n1 ZINC000090853308 564086919 /nfs/dbraw/zinc/08/69/19/564086919.db2.gz BTSQETCDZUBMNH-CABCVRRESA-N 1 0 335.455 3.750 50 0 EHAARO Cc1noc([C@H](C)[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000075612286 564089863 /nfs/dbraw/zinc/08/98/63/564089863.db2.gz NLUUQHRCYDBOCG-BBRMVZONSA-N 1 0 337.427 3.709 50 0 EHAARO CCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064448202 564091387 /nfs/dbraw/zinc/09/13/87/564091387.db2.gz CZTZTEPBSZYNRE-UHFFFAOYSA-N 1 0 328.378 3.538 50 0 EHAARO CC(C)(C[NH+]1CCCCC1)NC(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000426474240 564093837 /nfs/dbraw/zinc/09/38/37/564093837.db2.gz KHGTWYHLNQMGQW-KRWDZBQOSA-N 1 0 333.451 3.547 50 0 EHAARO Cc1cc(-c2ccc(C(=O)N[C@H](c3nccn3C)C(C)C)cc2)ccn1 ZINC000426674019 564094322 /nfs/dbraw/zinc/09/43/22/564094322.db2.gz IRSVDVSYENQWLX-IBGZPJMESA-N 1 0 348.450 3.918 50 0 EHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)(C)C)c1 ZINC000036100363 564096074 /nfs/dbraw/zinc/09/60/74/564096074.db2.gz NOURGNWOAVSIHO-GOSISDBHSA-N 1 0 337.504 3.719 50 0 EHAARO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)c1cccc2[nH]ccc21 ZINC000524732796 564103749 /nfs/dbraw/zinc/10/37/49/564103749.db2.gz OAEAJGOYSQXHLD-UHFFFAOYSA-N 1 0 349.434 3.895 50 0 EHAARO Cc1ccc2cc(C[NH+]3CCC(OC4CCOCC4)CC3)ccc2n1 ZINC000170603015 564109452 /nfs/dbraw/zinc/10/94/52/564109452.db2.gz VTFWJELIGDWUSO-UHFFFAOYSA-N 1 0 340.467 3.703 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000009997319 564111029 /nfs/dbraw/zinc/11/10/29/564111029.db2.gz DSYBGVBTDRVMLV-VXGBXAGGSA-N 1 0 329.271 3.588 50 0 EHAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000249697071 564111677 /nfs/dbraw/zinc/11/16/77/564111677.db2.gz UDLCVVUVZHRAIT-VQTJNVASSA-N 1 0 339.483 3.576 50 0 EHAARO Cc1csc(CNc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)n1 ZINC000089705637 564113234 /nfs/dbraw/zinc/11/32/34/564113234.db2.gz LDWHLPISLFWEJQ-HUUCEWRRSA-N 1 0 331.485 3.673 50 0 EHAARO O=C(c1ccc(Cl)cc1)N1CCC([NH2+]CCc2cccs2)CC1 ZINC000089800001 564113914 /nfs/dbraw/zinc/11/39/14/564113914.db2.gz SFTWMALABKSYPV-UHFFFAOYSA-N 1 0 348.899 3.838 50 0 EHAARO CO[C@H](C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C)c1ccc(F)cc1 ZINC000090177141 564116415 /nfs/dbraw/zinc/11/64/15/564116415.db2.gz KKQCHEUQNCNGEK-FZKQIMNGSA-N 1 0 342.418 3.524 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cc[nH]c2C2CC2)[C@H]1c1cccs1 ZINC000252505094 564119924 /nfs/dbraw/zinc/11/99/24/564119924.db2.gz VOHDCHOXDXSJAC-KDOFPFPSSA-N 1 0 343.496 3.767 50 0 EHAARO C[C@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)cs1 ZINC000194106351 564120374 /nfs/dbraw/zinc/12/03/74/564120374.db2.gz TXQIFVDICHLYCL-NSHDSACASA-N 1 0 348.306 3.747 50 0 EHAARO O=C(C[N@H+](C1CC1)[C@H]1CCc2ccccc21)Nc1cccnc1Cl ZINC000065951646 564122585 /nfs/dbraw/zinc/12/25/85/564122585.db2.gz QNVSVXQLZQGQJO-KRWDZBQOSA-N 1 0 341.842 3.825 50 0 EHAARO Cc1cccc2nc(C[NH2+][C@@H](C)c3cccc(-n4ccnc4)c3)cn21 ZINC000195577339 564123936 /nfs/dbraw/zinc/12/39/36/564123936.db2.gz PZYXQOJEBXTBGW-INIZCTEOSA-N 1 0 331.423 3.679 50 0 EHAARO CC(C)c1csc([C@@H]2CCCN(Cc3ncnn3C(C)(C)C)C2)n1 ZINC000253392590 564130446 /nfs/dbraw/zinc/13/04/46/564130446.db2.gz RCYGMQSITFGWQL-CQSZACIVSA-N 1 0 347.532 3.993 50 0 EHAARO Cc1ccc(OC(F)F)c(C[NH2+]C[C@H](O)c2ccc(F)cc2F)c1 ZINC000253404236 564130611 /nfs/dbraw/zinc/13/06/11/564130611.db2.gz HUZLIYATALGNAC-HNNXBMFYSA-N 1 0 343.320 3.698 50 0 EHAARO CCc1nc(C)cc(NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)n1 ZINC000253419515 564130978 /nfs/dbraw/zinc/13/09/78/564130978.db2.gz ZNXHHSLFCKEMEM-SFHVURJKSA-N 1 0 340.471 3.605 50 0 EHAARO CC(=O)NCc1ccc([C@@H]2CCCN2c2cc[nH+]c3ccccc32)o1 ZINC000253428372 564131277 /nfs/dbraw/zinc/13/12/77/564131277.db2.gz KUZPKJRTFOCHOI-IBGZPJMESA-N 1 0 335.407 3.805 50 0 EHAARO O[C@H](COCc1ccccc1F)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054993399 564132227 /nfs/dbraw/zinc/13/22/27/564132227.db2.gz IQXGCLGFGGGVNA-ICSRJNTNSA-N 1 0 329.415 3.540 50 0 EHAARO Oc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCC4)c3n2)cc1 ZINC000253470638 564132618 /nfs/dbraw/zinc/13/26/18/564132618.db2.gz SWCJQNPHNMDSAQ-UHFFFAOYSA-N 1 0 346.434 3.757 50 0 EHAARO C[C@H]([NH2+]C1(CNC(=O)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000079096269 564137850 /nfs/dbraw/zinc/13/78/50/564137850.db2.gz MPLPVNAKQXLAPX-KRWDZBQOSA-N 1 0 344.499 3.583 50 0 EHAARO COc1cccc([C@H](C)[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000079498262 564138231 /nfs/dbraw/zinc/13/82/31/564138231.db2.gz QVRXCZLSNFYLMN-JXFKEZNVSA-N 1 0 333.472 3.806 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccsc1 ZINC000095420874 564139967 /nfs/dbraw/zinc/13/99/67/564139967.db2.gz BYAFHRPAPXVACU-KDOFPFPSSA-N 1 0 344.480 3.508 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@@H]2CCCSc3ccccc32)c1 ZINC000095420950 564139969 /nfs/dbraw/zinc/13/99/69/564139969.db2.gz YENZBTYODHDZJU-QGZVFWFLSA-N 1 0 326.465 3.763 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@@H](CC(C)C)c2ccccn2)cn1 ZINC000095420597 564139985 /nfs/dbraw/zinc/13/99/85/564139985.db2.gz IHJACJKXUMTIEM-IBGZPJMESA-N 1 0 335.455 3.848 50 0 EHAARO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000095422486 564140110 /nfs/dbraw/zinc/14/01/10/564140110.db2.gz HFWBNQGZRAPEAE-QAPCUYQASA-N 1 0 346.496 3.841 50 0 EHAARO O=C(c1ccoc1)N1CCC([NH2+][C@@H](C2CC2)C2CCCCC2)CC1 ZINC000095427088 564140234 /nfs/dbraw/zinc/14/02/34/564140234.db2.gz MFULJWKLYPRAFW-LJQANCHMSA-N 1 0 330.472 3.833 50 0 EHAARO C[C@@H](CCSc1ccccc1)[NH+]1CCC(c2nncn2C)CC1 ZINC000095428281 564140245 /nfs/dbraw/zinc/14/02/45/564140245.db2.gz FMRZXEJMPGFDJB-HNNXBMFYSA-N 1 0 330.501 3.565 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)NCc1ccccc1Cl ZINC000095431549 564140355 /nfs/dbraw/zinc/14/03/55/564140355.db2.gz FXXSEOZJSSTRGM-QGZVFWFLSA-N 1 0 331.847 3.512 50 0 EHAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000095946720 564142271 /nfs/dbraw/zinc/14/22/71/564142271.db2.gz ULCSOXXQGPXUKG-BLLLJJGKSA-N 1 0 344.842 3.953 50 0 EHAARO Cc1noc(C(C)C)c1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000095956394 564142524 /nfs/dbraw/zinc/14/25/24/564142524.db2.gz VYQBPBPOUSSPPM-UHFFFAOYSA-N 1 0 347.503 3.881 50 0 EHAARO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000095958659 564142625 /nfs/dbraw/zinc/14/26/25/564142625.db2.gz XBQALGOKCYGCLW-ZDUSSCGKSA-N 1 0 342.393 3.948 50 0 EHAARO CC(C)Oc1ncccc1C[NH2+][C@H](C)CCc1n[nH]c2ccccc12 ZINC000096008170 564144567 /nfs/dbraw/zinc/14/45/67/564144567.db2.gz KUWXCAHYYYILQS-OAHLLOKOSA-N 1 0 338.455 3.856 50 0 EHAARO COc1ncccc1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000097159812 564149430 /nfs/dbraw/zinc/14/94/30/564149430.db2.gz MXTQQGQSDOJSLG-UHFFFAOYSA-N 1 0 348.406 3.527 50 0 EHAARO CC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000057315484 564153514 /nfs/dbraw/zinc/15/35/14/564153514.db2.gz BDNDWMIAFDOVPY-LBPRGKRZSA-N 1 0 330.815 3.832 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000057406484 564153972 /nfs/dbraw/zinc/15/39/72/564153972.db2.gz ICIQSOVDEFOGEH-NSHDSACASA-N 1 0 340.320 3.961 50 0 EHAARO CC[C@@H](CNC(=O)c1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000029909020 564154704 /nfs/dbraw/zinc/15/47/04/564154704.db2.gz NINWAASTOZVPEZ-KRWDZBQOSA-N 1 0 342.870 3.907 50 0 EHAARO C[C@@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211498 564156015 /nfs/dbraw/zinc/15/60/15/564156015.db2.gz KSCYWXNRJYTFMU-PBHICJAKSA-N 1 0 335.517 3.905 50 0 EHAARO O=C1CCCN1CCC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000066420423 564162379 /nfs/dbraw/zinc/16/23/79/564162379.db2.gz GZLSGVZFIBTETK-OAQYLSRUSA-N 1 0 334.463 3.647 50 0 EHAARO COCc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000008191474 564163468 /nfs/dbraw/zinc/16/34/68/564163468.db2.gz HYXHJEQNIJAJQP-UHFFFAOYSA-N 1 0 344.499 3.752 50 0 EHAARO CCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008714117 564166655 /nfs/dbraw/zinc/16/66/55/564166655.db2.gz WVNCSCZZFQRZFS-ZDUSSCGKSA-N 1 0 342.439 3.800 50 0 EHAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)n1 ZINC000067871541 564167193 /nfs/dbraw/zinc/16/71/93/564167193.db2.gz YDRRHVGSAZHBEZ-UHFFFAOYSA-N 1 0 341.434 3.551 50 0 EHAARO Cc1cc2[nH]c(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2c(C)c1 ZINC000039549469 564167588 /nfs/dbraw/zinc/16/75/88/564167588.db2.gz MEBLXURWZOAUFX-GOSISDBHSA-N 1 0 347.462 3.789 50 0 EHAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3c4c([nH]c32)CCCC4)C1 ZINC000069139117 564168475 /nfs/dbraw/zinc/16/84/75/564168475.db2.gz GYHUONPEMSQFAC-OAHLLOKOSA-N 1 0 339.483 3.508 50 0 EHAARO O=C(c1ccccc1)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2)C1 ZINC000244811446 564168507 /nfs/dbraw/zinc/16/85/07/564168507.db2.gz SCUUTEDYFUSFSY-CTNGQTDRSA-N 1 0 334.463 3.860 50 0 EHAARO COc1cc2c(cc1NC(=O)C[NH2+]C(C)(C)C)oc1ccccc12 ZINC000009218852 564171470 /nfs/dbraw/zinc/17/14/70/564171470.db2.gz SRVSZEXUEMIKOZ-UHFFFAOYSA-N 1 0 326.396 3.921 50 0 EHAARO CC(C)c1nnc2n1C[C@@H](C[NH2+]Cc1cnc(C(C)(C)C)s1)CC2 ZINC000069818794 564172374 /nfs/dbraw/zinc/17/23/74/564172374.db2.gz UXHDMLLOYICOSA-CYBMUJFWSA-N 1 0 347.532 3.508 50 0 EHAARO C[N@H+](Cc1ccccc1NC(=O)c1ccc(=O)[nH]c1)C1CCCCC1 ZINC000041934117 564174516 /nfs/dbraw/zinc/17/45/16/564174516.db2.gz PXPCUIZKUJOOKS-UHFFFAOYSA-N 1 0 339.439 3.804 50 0 EHAARO c1cn(Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccccc3)cc2)cn1 ZINC000042228310 564174757 /nfs/dbraw/zinc/17/47/57/564174757.db2.gz TVASVAYSZOAEFO-UHFFFAOYSA-N 1 0 343.434 3.611 50 0 EHAARO NC(=O)c1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000010225226 564175180 /nfs/dbraw/zinc/17/51/80/564175180.db2.gz JMHHQQFDDWQPSI-UHFFFAOYSA-N 1 0 333.435 3.646 50 0 EHAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 ZINC000010280599 564175194 /nfs/dbraw/zinc/17/51/94/564175194.db2.gz HYBMEMIUSPFSCI-UHFFFAOYSA-N 1 0 340.452 3.680 50 0 EHAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000054808449 568422335 /nfs/dbraw/zinc/42/23/35/568422335.db2.gz QDOMJLUOYLQLIH-IBGZPJMESA-N 1 0 325.456 3.909 50 0 EHAARO CC1(C)C[C@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCO1 ZINC000160495730 1019348558 /nfs/dbraw/zinc/34/85/58/1019348558.db2.gz TXKMFSZIFCYCLM-QGZVFWFLSA-N 1 0 326.440 3.708 50 0 EHAARO CCCN(C(=O)CCc1ccc(-c2ccccc2F)o1)[C@H]1CC[NH2+]C1 ZINC000178905014 1024654110 /nfs/dbraw/zinc/65/41/10/1024654110.db2.gz FONPSCQOUGFLDY-HNNXBMFYSA-N 1 0 344.430 3.619 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)C1 ZINC000237307248 1029100947 /nfs/dbraw/zinc/10/09/47/1029100947.db2.gz HZVSJVGSPOFGMP-QLKUMGTLSA-N 1 0 340.389 3.567 50 0 EHAARO CCc1ccc([C@H](CNC(=O)/C=C\c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000096926275 1039540531 /nfs/dbraw/zinc/54/05/31/1039540531.db2.gz LWWXJDRMUYNISY-VHNWJRSRSA-N 1 0 340.442 3.820 50 0 EHAARO OCC[C@H](C[NH2+][C@@H]1COCc2cccc(Cl)c21)c1ccccc1 ZINC000798183996 1039556365 /nfs/dbraw/zinc/55/63/65/1039556365.db2.gz PUPNUQTWVOIWEK-CRAIPNDOSA-N 1 0 331.843 3.667 50 0 EHAARO Cc1noc(CN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329833491 1040774415 /nfs/dbraw/zinc/77/44/15/1040774415.db2.gz KSMABAMDXHYPOF-GFCCVEGCSA-N 1 0 342.226 3.728 50 0 EHAARO CCN(C(=O)[C@H](C)OCC(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106152728 1041572287 /nfs/dbraw/zinc/57/22/87/1041572287.db2.gz LZVFHDBCMJLOFT-WSTZPKSXSA-N 1 0 346.515 3.732 50 0 EHAARO COCc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000119564473 1044109353 /nfs/dbraw/zinc/10/93/53/1044109353.db2.gz PEPJDGSUNABLEY-OAHLLOKOSA-N 1 0 327.424 3.845 50 0 EHAARO C[Si](C)(C)CCOC(=O)N1CCC(c2cccc(C[NH3+])c2)CC1 ZINC000202939723 1128696413 /nfs/dbraw/zinc/69/64/13/1128696413.db2.gz XJBYOFRDUQQGHI-UHFFFAOYSA-N 1 0 334.536 3.800 50 0 EHAARO COc1cc(N[C@H]2CCC[N@H+](Cc3cnc(C)s3)C2)cc(OC)c1 ZINC000155117615 1123192091 /nfs/dbraw/zinc/19/20/91/1123192091.db2.gz NPPKGXCREMESMY-AWEZNQCLSA-N 1 0 347.484 3.545 50 0 EHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)C1CCC1 ZINC000012052084 1129307506 /nfs/dbraw/zinc/30/75/06/1129307506.db2.gz NSZRDAMNTBQYSJ-UHFFFAOYSA-N 1 0 342.527 3.898 50 0 EHAARO CC(C)[NH+]1CCC(C(=O)N(Cc2ccco2)Cc2ccco2)CC1 ZINC000360140269 1129343338 /nfs/dbraw/zinc/34/33/38/1129343338.db2.gz HEIJXPYTHNHXJX-UHFFFAOYSA-N 1 0 330.428 3.522 50 0 EHAARO CC[C@H](C(=O)N(C)Cc1ccc(OC)c2ccccc12)[N@H+](C)CC ZINC000822541571 1131002063 /nfs/dbraw/zinc/00/20/63/1131002063.db2.gz GPZOEAYEFGBBLL-GOSISDBHSA-N 1 0 328.456 3.537 50 0 EHAARO Cc1ncsc1CCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828065497 1131417781 /nfs/dbraw/zinc/41/77/81/1131417781.db2.gz QJMKNAXNLOGHHL-UHFFFAOYSA-N 1 0 329.469 3.619 50 0 EHAARO Cc1cnc(C[C@@H]2CC[N@@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000575546638 1131572503 /nfs/dbraw/zinc/57/25/03/1131572503.db2.gz RYGDNQQALKNSPU-FQEVSTJZSA-N 1 0 348.494 3.643 50 0 EHAARO Cc1ccc(CNC(=O)N2CCCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000581788156 1132356299 /nfs/dbraw/zinc/35/62/99/1132356299.db2.gz VVALMNZSAWWYBY-IBGZPJMESA-N 1 0 329.488 3.545 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000581806122 1132368617 /nfs/dbraw/zinc/36/86/17/1132368617.db2.gz LMOSLYLGOOSZIN-OAHLLOKOSA-N 1 0 344.484 3.620 50 0 EHAARO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ncc(F)cc3F)c2C1 ZINC000192182424 1137028552 /nfs/dbraw/zinc/02/85/52/1137028552.db2.gz JMGQMRGBEWZPNX-UHFFFAOYSA-N 1 0 331.366 3.584 50 0 EHAARO CC[N@H+](Cc1cnn(-c2ccccc2F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000952846130 1137482771 /nfs/dbraw/zinc/48/27/71/1137482771.db2.gz GJQWBFIEHVMNRB-MRXNPFEDSA-N 1 0 331.435 3.791 50 0 EHAARO CCOc1ccc(C[N@H+](C)Cc2cccc3cccnc32)cc1CO ZINC000952969254 1137483988 /nfs/dbraw/zinc/48/39/88/1137483988.db2.gz DHNVNUCVVVKLNB-UHFFFAOYSA-N 1 0 336.435 3.758 50 0 EHAARO Cc1cccnc1/C=C\C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000221823860 1138219645 /nfs/dbraw/zinc/21/96/45/1138219645.db2.gz BHRQOAIAKNCQAW-QXMHVHEDSA-N 1 0 349.478 3.706 50 0 EHAARO Cc1ccc2ncccc2c1C[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000097742825 219052184 /nfs/dbraw/zinc/05/21/84/219052184.db2.gz UEJPQTLDCYIICV-UHFFFAOYSA-N 1 0 346.478 3.646 50 0 EHAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(n2cc(C(C)(C)O)nn2)CC1 ZINC000055088905 214271059 /nfs/dbraw/zinc/27/10/59/214271059.db2.gz URKKAUGXADBGRI-INIZCTEOSA-N 1 0 334.508 3.525 50 0 EHAARO Oc1ccc(C2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000055102801 214272991 /nfs/dbraw/zinc/27/29/91/214272991.db2.gz BOJMHYBPXWZFRM-UHFFFAOYSA-N 1 0 335.407 3.822 50 0 EHAARO C[C@H](CO)C[N@H+](Cc1ccccc1)Cc1ccccc1Cn1cccn1 ZINC000055053646 214268241 /nfs/dbraw/zinc/26/82/41/214268241.db2.gz CWRIIBHWHFYTQE-IBGZPJMESA-N 1 0 349.478 3.562 50 0 EHAARO CCC(CC)N(CCc1ccccc1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000055154312 214280503 /nfs/dbraw/zinc/28/05/03/214280503.db2.gz HEXZSUAQEGRWMX-IBGZPJMESA-N 1 0 328.500 3.636 50 0 EHAARO Cc1ccsc1C[N@H+](CCO)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055211311 214288200 /nfs/dbraw/zinc/28/82/00/214288200.db2.gz BUCBBQKPFODPQN-UHFFFAOYSA-N 1 0 345.443 3.580 50 0 EHAARO COc1ccccc1/C=C/C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055243261 214294179 /nfs/dbraw/zinc/29/41/79/214294179.db2.gz UJYOKQUBQSEZAG-GQCTYLIASA-N 1 0 338.455 3.514 50 0 EHAARO CCn1cc(C[N@@H+](Cc2cccn2-c2ccccn2)CC(C)C)cn1 ZINC000055327740 214307892 /nfs/dbraw/zinc/30/78/92/214307892.db2.gz QUUZKMMEMOVXMW-UHFFFAOYSA-N 1 0 337.471 3.747 50 0 EHAARO Clc1cc(-c2nc3c([nH]2)C[NH2+]CC3)ccc1OCc1ccccc1 ZINC000097785533 219057794 /nfs/dbraw/zinc/05/77/94/219057794.db2.gz XQVMUTSTSCBFDB-UHFFFAOYSA-N 1 0 339.826 3.955 50 0 EHAARO CC[C@@H](Nc1nc(CC[NH3+])nc2sc(C)c(C)c21)c1cccnc1 ZINC000065381892 214880995 /nfs/dbraw/zinc/88/09/95/214880995.db2.gz IIMLUEPQXFAAQH-CQSZACIVSA-N 1 0 341.484 3.768 50 0 EHAARO C[NH2+]C[C@H](C)C(=O)N[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000170677533 529993722 /nfs/dbraw/zinc/99/37/22/529993722.db2.gz YALGCBFDAKOAOC-KBXCAEBGSA-N 1 0 330.859 3.596 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000003911487 210092226 /nfs/dbraw/zinc/09/22/26/210092226.db2.gz QERCMFSDTLFCBE-CQSZACIVSA-N 1 0 331.485 3.714 50 0 EHAARO CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000067641287 215170485 /nfs/dbraw/zinc/17/04/85/215170485.db2.gz OZKYWZONHYPBCV-MRXNPFEDSA-N 1 0 326.440 3.685 50 0 EHAARO Fc1cccc(CNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)c1 ZINC000067726165 215196355 /nfs/dbraw/zinc/19/63/55/215196355.db2.gz CDOPLRNCLBDQNN-UHFFFAOYSA-N 1 0 334.398 3.541 50 0 EHAARO Cc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000002966435 209947941 /nfs/dbraw/zinc/94/79/41/209947941.db2.gz ZERQQTWSMOZERL-FQEVSTJZSA-N 1 0 341.862 3.909 50 0 EHAARO CC[C@@H](O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067851525 215231010 /nfs/dbraw/zinc/23/10/10/215231010.db2.gz IFGACTQOKCNFBY-QGZVFWFLSA-N 1 0 347.842 3.678 50 0 EHAARO Cc1cc(C)n(CC2(C[NH2+]Cc3nc4c(ccc(C)c4C)[nH]3)CC2)n1 ZINC000067872463 215237290 /nfs/dbraw/zinc/23/72/90/215237290.db2.gz DVECISVYWGQFGM-UHFFFAOYSA-N 1 0 337.471 3.563 50 0 EHAARO COc1cc(Oc2ccc(C(C)C)nn2)ccc1C[NH+]1CCCC1 ZINC000067872375 215237633 /nfs/dbraw/zinc/23/76/33/215237633.db2.gz YCCHRRMOGOALKO-UHFFFAOYSA-N 1 0 327.428 3.997 50 0 EHAARO O=C(NC[C@H]1CC[N@H+](Cc2ccco2)C1)Nc1ccccc1Cl ZINC000067908685 215246508 /nfs/dbraw/zinc/24/65/08/215246508.db2.gz OPKUCQVBDJHOEU-CYBMUJFWSA-N 1 0 333.819 3.577 50 0 EHAARO C[NH+](C)CC1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000040554479 213349030 /nfs/dbraw/zinc/34/90/30/213349030.db2.gz GSEIAXFVOJJFLJ-UHFFFAOYSA-N 1 0 330.259 3.799 50 0 EHAARO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3C=CCC3)cc2F)CC1 ZINC000069369165 215390505 /nfs/dbraw/zinc/39/05/05/215390505.db2.gz IMKUAUICIJOAFV-HNNXBMFYSA-N 1 0 345.462 3.651 50 0 EHAARO Cn1ccc2c1cccc2C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040285539 213288045 /nfs/dbraw/zinc/28/80/45/213288045.db2.gz AGVZYEMNZGICOF-UHFFFAOYSA-N 1 0 347.462 3.573 50 0 EHAARO CCC(C)(C)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000040162288 213277594 /nfs/dbraw/zinc/27/75/94/213277594.db2.gz LWSZWRQTGVGSMI-CQSZACIVSA-N 1 0 345.468 3.797 50 0 EHAARO CSCc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)o1 ZINC000040153258 213274747 /nfs/dbraw/zinc/27/47/47/213274747.db2.gz SIOZKNZUERXHOC-GFCCVEGCSA-N 1 0 330.453 3.878 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cccc1F)Cc1ccccc1 ZINC000040092324 213262042 /nfs/dbraw/zinc/26/20/42/213262042.db2.gz GWWCZJJFDQCIJW-MRXNPFEDSA-N 1 0 346.421 3.648 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(Cl)c1F)c1ccsc1 ZINC000040103681 213264426 /nfs/dbraw/zinc/26/44/26/213264426.db2.gz DOFIDXJGPKYWBS-ZDUSSCGKSA-N 1 0 341.839 3.965 50 0 EHAARO CC[N@H+](CCCc1ccccc1)CC(=O)Nc1c(F)cccc1F ZINC000040009517 213250635 /nfs/dbraw/zinc/25/06/35/213250635.db2.gz ZZQJCXFPKQACBM-UHFFFAOYSA-N 1 0 332.394 3.858 50 0 EHAARO c1ccc2c(c1)nc(-c1ccncc1)nc2NC1CC[NH+](C2CC2)CC1 ZINC000040040267 213253976 /nfs/dbraw/zinc/25/39/76/213253976.db2.gz KIIRHPZHKHCWMJ-UHFFFAOYSA-N 1 0 345.450 3.731 50 0 EHAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1=O ZINC000038545814 213213262 /nfs/dbraw/zinc/21/32/62/213213262.db2.gz ZWCFYUWFBUYELH-HXUWFJFHSA-N 1 0 340.467 3.704 50 0 EHAARO CC[C@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1 ZINC000036102239 213066932 /nfs/dbraw/zinc/06/69/32/213066932.db2.gz NQQPMDQTSMJESX-HKUYNNGSSA-N 1 0 343.467 3.736 50 0 EHAARO c1ccc(-c2nc(SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n[nH]2)cc1 ZINC000036056951 213059580 /nfs/dbraw/zinc/05/95/80/213059580.db2.gz LVRKTHCBVHLACO-JKSUJKDBSA-N 1 0 328.485 3.828 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@H]2CCCc3ccccc32)C2CC2)CC1 ZINC000071824332 215852762 /nfs/dbraw/zinc/85/27/62/215852762.db2.gz OGOAWCLAVFRRIA-FQEVSTJZSA-N 1 0 326.484 3.582 50 0 EHAARO Cc1ccc(-c2csc3[nH]c(C[NH2+]C(C)C)nc(=O)c23)c(C)c1 ZINC000036154415 213073764 /nfs/dbraw/zinc/07/37/64/213073764.db2.gz FYAVXDUXJDJEJA-UHFFFAOYSA-N 1 0 327.453 3.766 50 0 EHAARO Cc1nc(C2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cc(=O)[nH]1 ZINC000072137389 216025400 /nfs/dbraw/zinc/02/54/00/216025400.db2.gz FBMMHAIOHASLIG-IRXDYDNUSA-N 1 0 327.472 3.662 50 0 EHAARO CCc1ncc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)cn1 ZINC000072143234 216029311 /nfs/dbraw/zinc/02/93/11/216029311.db2.gz JKUZHDPHECVFQO-SFHVURJKSA-N 1 0 325.456 3.732 50 0 EHAARO c1c(C[N@H+]2CCC[C@H](OCc3ccccn3)C2)onc1-c1ccccc1 ZINC000072167388 216057407 /nfs/dbraw/zinc/05/74/07/216057407.db2.gz QUWVEVLAHHFOQB-IBGZPJMESA-N 1 0 349.434 3.918 50 0 EHAARO [NH3+][C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000072168228 216058910 /nfs/dbraw/zinc/05/89/10/216058910.db2.gz FKSSVTHJZQZAAZ-QGZVFWFLSA-N 1 0 345.446 3.855 50 0 EHAARO Clc1ccccc1C1(c2ccnc(CC3CC3)n2)CC[NH2+]CC1 ZINC000072426811 216217868 /nfs/dbraw/zinc/21/78/68/216217868.db2.gz BGWPTEULOYGHBD-UHFFFAOYSA-N 1 0 327.859 3.752 50 0 EHAARO CCOc1cc(C)c(C[N@@H+]2CC[C@]3(CN(C)C(=O)O3)C2)cc1C(C)C ZINC000072453578 216241027 /nfs/dbraw/zinc/24/10/27/216241027.db2.gz QYUOCGFFBRAXLL-FQEVSTJZSA-N 1 0 346.471 3.544 50 0 EHAARO O=C(c1cc[nH]c1)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072479556 216258522 /nfs/dbraw/zinc/25/85/22/216258522.db2.gz SZCZHLHOFQQPPV-OAQYLSRUSA-N 1 0 337.467 3.533 50 0 EHAARO Cc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)cc1C ZINC000023373450 212372323 /nfs/dbraw/zinc/37/23/23/212372323.db2.gz RQPNTAAAEBXMNY-NRFANRHFSA-N 1 0 330.516 3.505 50 0 EHAARO COc1cc(C)c(C[NH+]2CCC3(CCC(=O)NC3)CC2)cc1C(C)C ZINC000215115593 241109480 /nfs/dbraw/zinc/10/94/80/241109480.db2.gz PBQLZTOJLUHXIN-UHFFFAOYSA-N 1 0 344.499 3.619 50 0 EHAARO C[C@H](c1ccc(-c2cccc(C(=O)N(C)C)n2)cc1)[NH+]1CCCCC1 ZINC000216332563 241182483 /nfs/dbraw/zinc/18/24/83/241182483.db2.gz USZNTJUHRYMWMO-MRXNPFEDSA-N 1 0 337.467 3.997 50 0 EHAARO c1cn(CC2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)cn1 ZINC000216325219 241183312 /nfs/dbraw/zinc/18/33/12/241183312.db2.gz UKNVIJIWHFHDEX-UHFFFAOYSA-N 1 0 339.487 3.633 50 0 EHAARO CC[N@H+](CCSc1ccccc1)Cc1cnn2c1nc(C)cc2C ZINC000215446036 241125828 /nfs/dbraw/zinc/12/58/28/241125828.db2.gz PZQAVHDUUYBGFR-UHFFFAOYSA-N 1 0 340.496 3.960 50 0 EHAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215489417 241129529 /nfs/dbraw/zinc/12/95/29/241129529.db2.gz BLGPUAVQXXPTAN-OAQYLSRUSA-N 1 0 337.467 3.618 50 0 EHAARO Cc1nccc(C2CC[NH+](CC[C@@H](C)CCCC(C)(C)O)CC2)n1 ZINC000216547580 241202730 /nfs/dbraw/zinc/20/27/30/241202730.db2.gz XHGOQMWYFJRONM-INIZCTEOSA-N 1 0 333.520 3.932 50 0 EHAARO CC[NH+](CC)CCSc1ccc(C(=O)Nc2ccc(F)cc2)cn1 ZINC000021663586 212239392 /nfs/dbraw/zinc/23/93/92/212239392.db2.gz GANYRBFFBKRCCI-UHFFFAOYSA-N 1 0 347.459 3.907 50 0 EHAARO Cc1ccc(C)c(NC(=O)NC[C@H]2C[N@@H+](C)C[C@H]2c2cccs2)c1 ZINC000230134449 242237422 /nfs/dbraw/zinc/23/74/22/242237422.db2.gz HQXXJXUBJQJMPH-JKSUJKDBSA-N 1 0 343.496 3.832 50 0 EHAARO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@@H](c3ccccc3)C1(C)C)CC2 ZINC000230283235 242258497 /nfs/dbraw/zinc/25/84/97/242258497.db2.gz SAHDQMYOYITBSI-FGTMMUONSA-N 1 0 338.499 3.888 50 0 EHAARO Clc1ccccc1-c1n[nH]c2c1C[N@@H+](C1CCSCC1)CC2 ZINC000020999438 212197126 /nfs/dbraw/zinc/19/71/26/212197126.db2.gz RWYSKXSGNGOUEY-UHFFFAOYSA-N 1 0 333.888 3.984 50 0 EHAARO O=C1CC[N@@H+](Cc2cccs2)CCN1Cc1ccccc1Cl ZINC000020775025 212169248 /nfs/dbraw/zinc/16/92/48/212169248.db2.gz NPXORUKBCBTWOP-UHFFFAOYSA-N 1 0 334.872 3.636 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000020443269 212128553 /nfs/dbraw/zinc/12/85/53/212128553.db2.gz UZMUDPKMXJNPEM-LBPRGKRZSA-N 1 0 329.835 3.661 50 0 aggregator EHAARO O[C@@](C[NH2+]Cc1ccccc1F)(c1ccccc1)c1ccc(F)cc1 ZINC000020365988 212122696 /nfs/dbraw/zinc/12/26/96/212122696.db2.gz JQERPSVWJZOQSY-NRFANRHFSA-N 1 0 339.385 3.991 50 0 EHAARO Clc1cccc(-n2cc(CN3CCC[C@H]([NH+]4CCCC4)C3)cn2)c1 ZINC000020272548 212115923 /nfs/dbraw/zinc/11/59/23/212115923.db2.gz WYISYACMYIEPDV-IBGZPJMESA-N 1 0 344.890 3.586 50 0 EHAARO c1ccc(COc2ccc(OCCCC[NH+]3CCOCC3)cc2)cc1 ZINC000020118397 212103142 /nfs/dbraw/zinc/10/31/42/212103142.db2.gz JSIREWSOZXRSQR-UHFFFAOYSA-N 1 0 341.451 3.757 50 0 EHAARO CC[C@@H](C)[NH+]1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000019809242 212071363 /nfs/dbraw/zinc/07/13/63/212071363.db2.gz PGBLKVWWLWQLHW-GOSISDBHSA-N 1 0 336.479 3.761 50 0 EHAARO CCN1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000019366916 212023208 /nfs/dbraw/zinc/02/32/08/212023208.db2.gz NIWVZGXKGHYTQW-FQEVSTJZSA-N 1 0 342.458 3.979 50 0 EHAARO CC[C@H](C(=O)NCc1ccc(F)cc1C(F)(F)F)[NH+](CC)CC ZINC000078820437 217127975 /nfs/dbraw/zinc/12/79/75/217127975.db2.gz RUBHBXCILBXBKS-CQSZACIVSA-N 1 0 334.357 3.581 50 0 EHAARO CC[C@H](C)[NH2+][C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014989485 211784463 /nfs/dbraw/zinc/78/44/63/211784463.db2.gz LBAWGNYBAXPYOM-RDJZCZTQSA-N 1 0 326.488 3.994 50 0 EHAARO COC(=O)c1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000012304122 211338892 /nfs/dbraw/zinc/33/88/92/211338892.db2.gz FWDCGNPYBHJQBH-OAHLLOKOSA-N 1 0 349.434 3.818 50 0 EHAARO Cc1sc2ccccc2c1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000011945820 211274203 /nfs/dbraw/zinc/27/42/03/211274203.db2.gz NNSJCJBBEUGGDA-LJQANCHMSA-N 1 0 328.481 3.654 50 0 EHAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000091586682 218025882 /nfs/dbraw/zinc/02/58/82/218025882.db2.gz BCEXIMBVZMLYSN-LJQANCHMSA-N 1 0 332.447 3.792 50 0 EHAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)s1 ZINC000091593830 218028615 /nfs/dbraw/zinc/02/86/15/218028615.db2.gz BIYJKHXGUZDYAB-FUHWJXTLSA-N 1 0 327.497 3.548 50 0 EHAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)c2)c1 ZINC000011821512 211252726 /nfs/dbraw/zinc/25/27/26/211252726.db2.gz PIFOVFZZBITQFY-HXUWFJFHSA-N 1 0 332.451 3.949 50 0 EHAARO O=C1[C@H](c2ccccc2)CC2(CC[NH+](CC3CC3)CC2)CN1C1CC1 ZINC000091713175 218052312 /nfs/dbraw/zinc/05/23/12/218052312.db2.gz KKJIXHQMVSUZBA-FQEVSTJZSA-N 1 0 338.495 3.657 50 0 EHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N(C)C1CCCCC1)C[C@@H](C)O2 ZINC000011783867 211248611 /nfs/dbraw/zinc/24/86/11/211248611.db2.gz LLNXANHLYDQUAP-QGZVFWFLSA-N 1 0 344.499 3.759 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2[nH]c3c(cc(C)cc3C)c2C)C1 ZINC000091650517 218039455 /nfs/dbraw/zinc/03/94/55/218039455.db2.gz SMPRYHLFONWIOO-INIZCTEOSA-N 1 0 327.472 3.649 50 0 EHAARO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000091678595 218045255 /nfs/dbraw/zinc/04/52/55/218045255.db2.gz PAMRQGHQBCBBGT-CYBMUJFWSA-N 1 0 340.398 3.869 50 0 EHAARO Cc1ccc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000010111510 211148495 /nfs/dbraw/zinc/14/84/95/211148495.db2.gz VWVDZYCMFXWZEF-UHFFFAOYSA-N 1 0 328.481 3.579 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2c3c(cccc31)CC2 ZINC000010086215 211147085 /nfs/dbraw/zinc/14/70/85/211147085.db2.gz QTGCIPLDBLTRHC-UHFFFAOYSA-N 1 0 344.458 3.930 50 0 EHAARO COc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000010018798 211140281 /nfs/dbraw/zinc/14/02/81/211140281.db2.gz HIHGPZVFWSMQMO-KRWDZBQOSA-N 1 0 347.846 3.773 50 0 EHAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCSCc1cccs1 ZINC000009503204 211093952 /nfs/dbraw/zinc/09/39/52/211093952.db2.gz JJJJNAUMDUPHOC-CQSZACIVSA-N 1 0 334.510 3.988 50 0 EHAARO COc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc2c1OCCO2 ZINC000009544821 211100027 /nfs/dbraw/zinc/10/00/27/211100027.db2.gz ISRAXUASEPJOSN-LLVKDONJSA-N 1 0 335.350 3.595 50 0 EHAARO c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)c2)nc1 ZINC000093507519 218229496 /nfs/dbraw/zinc/22/94/96/218229496.db2.gz AGLVPLDYYMJADS-NQIIRXRSSA-N 1 0 338.451 3.662 50 0 EHAARO C[N@@H+]1CCCCC[C@H]1C(=O)N(Cc1ccsc1)Cc1cccnc1 ZINC000095356222 218289067 /nfs/dbraw/zinc/28/90/67/218289067.db2.gz GUTSYZWXZMHQSF-SFHVURJKSA-N 1 0 343.496 3.546 50 0 EHAARO CC(C)c1noc([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)n1 ZINC000095371203 218303933 /nfs/dbraw/zinc/30/39/33/218303933.db2.gz HHGKNJRVUAFOAW-INIZCTEOSA-N 1 0 348.491 3.513 50 0 EHAARO Cc1nc([C@H](C)NC(=O)C2CC[NH+](C3CCCCC3)CC2)c(C)s1 ZINC000095376073 218309177 /nfs/dbraw/zinc/30/91/77/218309177.db2.gz MAOKPINBCQJGLN-ZDUSSCGKSA-N 1 0 349.544 3.982 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O ZINC000008714045 210987041 /nfs/dbraw/zinc/98/70/41/210987041.db2.gz SSTJBMWXCJOAPU-HNNXBMFYSA-N 1 0 342.439 3.800 50 0 EHAARO FC(F)(F)c1cccc(N2CCC([NH2+]CC3=CCCOC3)CC2)c1 ZINC000095428177 218369725 /nfs/dbraw/zinc/36/97/25/218369725.db2.gz NYYGCIRFVIWXBG-UHFFFAOYSA-N 1 0 340.389 3.611 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@H]2CCCSc3ccccc32)c1 ZINC000095420951 218361696 /nfs/dbraw/zinc/36/16/96/218361696.db2.gz YENZBTYODHDZJU-KRWDZBQOSA-N 1 0 326.465 3.763 50 0 EHAARO COc1cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc1SC ZINC000095421331 218363607 /nfs/dbraw/zinc/36/36/07/218363607.db2.gz QTUWBLSEZOJHGT-WCQYABFASA-N 1 0 348.434 3.704 50 0 EHAARO COc1ccccc1[C@@H](C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000095421654 218364119 /nfs/dbraw/zinc/36/41/19/218364119.db2.gz COWLGIQCUSUVBV-GJZGRUSLSA-N 1 0 347.480 3.553 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(C)c1 ZINC000095422988 218365388 /nfs/dbraw/zinc/36/53/88/218365388.db2.gz LKUMSAXESHRGGK-HNAYVOBHSA-N 1 0 346.496 3.579 50 0 EHAARO Cc1csc([C@@H]([NH2+][C@H](C)CC(=O)N2CCCCCC2)C2CC2)n1 ZINC000095423334 218365957 /nfs/dbraw/zinc/36/59/57/218365957.db2.gz QDUNGLIKCAZVEJ-DYVFJYSZSA-N 1 0 335.517 3.673 50 0 EHAARO C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)Sc1ccccc1 ZINC000095423425 218366214 /nfs/dbraw/zinc/36/62/14/218366214.db2.gz AONPUTBKMDPDHY-HUUCEWRRSA-N 1 0 349.521 3.922 50 0 EHAARO Cc1nc2n(n1)C[C@H]([NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)CC2 ZINC000095443056 218387580 /nfs/dbraw/zinc/38/75/80/218387580.db2.gz BALSJXWZVZCCSF-HNAYVOBHSA-N 1 0 340.515 3.667 50 0 EHAARO O[C@@H](C[NH2+]C1CCCCCCC1)COCc1ccccc1Cl ZINC000006937400 210745798 /nfs/dbraw/zinc/74/57/98/210745798.db2.gz SNVNADSJRFMJGY-KRWDZBQOSA-N 1 0 325.880 3.920 50 0 EHAARO NC(=O)C(CC[NH+]1CCCCCC1)(c1ccccc1)c1ccccc1 ZINC000005849645 210547323 /nfs/dbraw/zinc/54/73/23/210547323.db2.gz SLJXUJZUTPFXRJ-UHFFFAOYSA-N 1 0 336.479 3.724 50 0 EHAARO CCOC(=O)C1CC[NH+](Cc2ccc(OC)c3ccccc23)CC1 ZINC000004987493 210351597 /nfs/dbraw/zinc/35/15/97/210351597.db2.gz NJIPJQBAMFOBNH-UHFFFAOYSA-N 1 0 327.424 3.624 50 0 EHAARO FC(F)Oc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000097370466 219015417 /nfs/dbraw/zinc/01/54/17/219015417.db2.gz UQKORQCHYFVBNP-UHFFFAOYSA-N 1 0 329.350 3.764 50 0 EHAARO C[C@H](c1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)o1)[NH+]1CCCCC1 ZINC000097547840 219034040 /nfs/dbraw/zinc/03/40/40/219034040.db2.gz STHZSMHRBTYMBI-SFFUCWETSA-N 1 0 342.483 3.945 50 0 EHAARO CCSCCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299771931 258084416 /nfs/dbraw/zinc/08/44/16/258084416.db2.gz XYBRBJWBGTUPDI-MRXNPFEDSA-N 1 0 340.920 3.736 50 0 EHAARO CO[C@]12CC[N@H+](Cc3cccc(OC4CCCC4)c3)[C@H]1C[C@@H](O)CC2 ZINC000299781610 258090241 /nfs/dbraw/zinc/09/02/41/258090241.db2.gz RPSRFRJVWAILEJ-DZFGPLHGSA-N 1 0 345.483 3.512 50 0 EHAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(-c3cscn3)cc1)C2 ZINC000299791273 258096840 /nfs/dbraw/zinc/09/68/40/258096840.db2.gz CLHCVSCYJDBOKD-JKSUJKDBSA-N 1 0 342.468 3.511 50 0 EHAARO O=C(NCC1(C[NH+]2CCCC2)CC1)c1cccc(-c2ccccc2)c1 ZINC000299791614 258097249 /nfs/dbraw/zinc/09/72/49/258097249.db2.gz DVVZKKSFVIMVPP-UHFFFAOYSA-N 1 0 334.463 3.959 50 0 EHAARO Cc1ccccc1C[N@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000006939128 258052726 /nfs/dbraw/zinc/05/27/26/258052726.db2.gz HDOFRROIMWWDHC-GOSISDBHSA-N 1 0 333.859 3.658 50 0 EHAARO COCc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)o1 ZINC000013593784 258056114 /nfs/dbraw/zinc/05/61/14/258056114.db2.gz WTFRSJGZJMQJSC-OAQYLSRUSA-N 1 0 343.467 3.552 50 0 EHAARO CC(C)C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1cccnc1 ZINC000299757479 258075410 /nfs/dbraw/zinc/07/54/10/258075410.db2.gz HWJHVYQQSBWKRL-GOSISDBHSA-N 1 0 329.488 3.694 50 0 EHAARO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C(N)=O)c1)CCCS2 ZINC000187725981 533298548 /nfs/dbraw/zinc/29/85/48/533298548.db2.gz VNTDKQMCALMLAG-QGZVFWFLSA-N 1 0 342.464 3.511 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCCc2ccccc21 ZINC000040095128 132398124 /nfs/dbraw/zinc/39/81/24/132398124.db2.gz VKDWYILLPKHJJN-SFHVURJKSA-N 1 0 339.439 3.579 50 0 EHAARO CCCCC[C@H](C)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000040103822 132398493 /nfs/dbraw/zinc/39/84/93/132398493.db2.gz JNMXVOJFWNENLK-KRWDZBQOSA-N 1 0 346.519 3.837 50 0 EHAARO Cc1ccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C(C)C)s1 ZINC000036101193 524417534 /nfs/dbraw/zinc/41/75/34/524417534.db2.gz ILLZTPUWOSTGKM-SFHVURJKSA-N 1 0 333.497 3.845 50 0 EHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000156526444 525009583 /nfs/dbraw/zinc/00/95/83/525009583.db2.gz QIJMIDFRCWLTAA-ZYHUDNBSSA-N 1 0 349.327 3.963 50 0 EHAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000014094112 525104308 /nfs/dbraw/zinc/10/43/08/525104308.db2.gz ZVIKUQAKSZZNHK-CZUORRHYSA-N 1 0 332.444 3.902 50 0 EHAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCC2CCCC2)CC1 ZINC000036774012 535754342 /nfs/dbraw/zinc/75/43/42/535754342.db2.gz ICYYPNNMXUWGSH-UHFFFAOYSA-N 1 0 329.488 3.737 50 0 EHAARO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC000253421572 564131038 /nfs/dbraw/zinc/13/10/38/564131038.db2.gz YGXKTWJVUVPQEY-AWEZNQCLSA-N 1 0 330.463 3.781 50 0 EHAARO CC1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000000257380 563267399 /nfs/dbraw/zinc/26/73/99/563267399.db2.gz UDLRBHGQXATRNY-UHFFFAOYSA-N 1 0 325.250 3.510 50 0 EHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1ccc(F)cc1 ZINC000000484247 563337986 /nfs/dbraw/zinc/33/79/86/563337986.db2.gz JQYNVBKMHQFVBC-LJQANCHMSA-N 1 0 341.430 3.734 50 0 EHAARO CCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000540244 563343865 /nfs/dbraw/zinc/34/38/65/563343865.db2.gz QGGNEDNGBGUYNC-NHCUHLMSSA-N 1 0 325.452 3.998 50 0 EHAARO CCOc1ccc(OCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002191187 563426661 /nfs/dbraw/zinc/42/66/61/563426661.db2.gz AJIKMVRAVZGINJ-UHFFFAOYSA-N 1 0 341.451 3.539 50 0 EHAARO O=c1c2cccc3c2c(nn1CC[NH+]1CCCCC1)-c1ccccc1-3 ZINC000002459148 563432652 /nfs/dbraw/zinc/43/26/52/563432652.db2.gz VSUZINFQPXJVQD-UHFFFAOYSA-N 1 0 331.419 3.530 50 0 EHAARO Cc1ccc(F)c(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000043351666 563614800 /nfs/dbraw/zinc/61/48/00/563614800.db2.gz MYJAXJRJOZULFJ-UHFFFAOYSA-N 1 0 341.430 3.920 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000071920172 563624385 /nfs/dbraw/zinc/62/43/85/563624385.db2.gz QOTCDHJSPBZMQD-UHFFFAOYSA-N 1 0 344.484 3.806 50 0 EHAARO CSC(C)(C)C[C@H](C)[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000012763865 563670615 /nfs/dbraw/zinc/67/06/15/563670615.db2.gz GVZYVPFTHBQUPB-AWEZNQCLSA-N 1 0 326.550 3.677 50 0 EHAARO CCOc1cc(C[NH2+]CCOC)ccc1OCc1ccc(C)cc1 ZINC000012854509 563675973 /nfs/dbraw/zinc/67/59/73/563675973.db2.gz YCUFMZRDUJPHHC-UHFFFAOYSA-N 1 0 329.440 3.709 50 0 EHAARO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000012980948 563681247 /nfs/dbraw/zinc/68/12/47/563681247.db2.gz JZNZJIQZFSDLPJ-OXJNMPFZSA-N 1 0 338.451 3.710 50 0 EHAARO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2F)CCCCCC1 ZINC000032781047 563733166 /nfs/dbraw/zinc/73/31/66/563733166.db2.gz HEYLAJXUMFXSPG-UHFFFAOYSA-N 1 0 326.843 3.864 50 0 EHAARO CCC[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032795137 563736061 /nfs/dbraw/zinc/73/60/61/563736061.db2.gz UQEDEWDDEKNIJV-CQSZACIVSA-N 1 0 337.895 3.792 50 0 EHAARO COc1cccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000014158625 563745573 /nfs/dbraw/zinc/74/55/73/563745573.db2.gz LKKAIRUYTQNEFT-UHFFFAOYSA-N 1 0 339.414 3.927 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccs2)n(-c2ccccc2)n1 ZINC000014180706 563747427 /nfs/dbraw/zinc/74/74/27/563747427.db2.gz RVGJYIITLCNEAJ-AWEZNQCLSA-N 1 0 340.452 3.532 50 0 EHAARO Cc1ccc(NC(=O)NC(=O)C[N@@H+](C)C2CCCCCC2)c(C)c1 ZINC000014705206 563763370 /nfs/dbraw/zinc/76/33/70/563763370.db2.gz HOAXAYGBVKFTLA-UHFFFAOYSA-N 1 0 331.460 3.606 50 0 EHAARO CC(C)=CC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000014970741 563769036 /nfs/dbraw/zinc/76/90/36/563769036.db2.gz JAPAABYCZCVHQN-KRWDZBQOSA-N 1 0 332.463 3.505 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ccoc4)C3)C2)c1 ZINC000015070858 563775952 /nfs/dbraw/zinc/77/59/52/563775952.db2.gz CMVCBJTUTHQXKT-NRFANRHFSA-N 1 0 338.451 3.716 50 0 EHAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](CCCSC)C1 ZINC000015075237 563776424 /nfs/dbraw/zinc/77/64/24/563776424.db2.gz PTWNGAATKDXXDR-CYBMUJFWSA-N 1 0 341.904 3.996 50 0 EHAARO c1cncc(C[NH2+]Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)c1 ZINC000015083792 563777137 /nfs/dbraw/zinc/77/71/37/563777137.db2.gz ZPKMBLGQCBCIQT-UHFFFAOYSA-N 1 0 348.402 3.679 50 0 EHAARO Cc1csc2nc(C[NH2+][C@H](c3ccccc3)C(C)C)cc(=O)n12 ZINC000015550176 563786952 /nfs/dbraw/zinc/78/69/52/563786952.db2.gz MLBPCXLJYGTDFA-KRWDZBQOSA-N 1 0 327.453 3.551 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCC2)o1 ZINC000015860161 563796477 /nfs/dbraw/zinc/79/64/77/563796477.db2.gz UIGTWVAIOSYFNJ-SFHVURJKSA-N 1 0 326.440 3.853 50 0 EHAARO CC1CC[NH+](CCCNC(=O)c2cc3cn(C4CC4)cc3s2)CC1 ZINC000065285702 563844775 /nfs/dbraw/zinc/84/47/75/563844775.db2.gz FKGGJXXDPGHRPG-UHFFFAOYSA-N 1 0 345.512 3.890 50 0 EHAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000027583846 563897380 /nfs/dbraw/zinc/89/73/80/563897380.db2.gz PSITXYUSOZRHOK-SFHVURJKSA-N 1 0 328.843 3.907 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000070020346 563902881 /nfs/dbraw/zinc/90/28/81/563902881.db2.gz PCANGFGTSIWPAH-HOTGVXAUSA-N 1 0 333.451 3.944 50 0 EHAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000029197086 563905291 /nfs/dbraw/zinc/90/52/91/563905291.db2.gz BIKYQTFQLGTURS-IBGZPJMESA-N 1 0 341.842 3.835 50 0 EHAARO CSc1ccccc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029837840 563908627 /nfs/dbraw/zinc/90/86/27/563908627.db2.gz DINFBAWELKHUKV-UHFFFAOYSA-N 1 0 340.492 3.587 50 0 EHAARO c1ccc(COc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)nc1 ZINC000030543986 563909961 /nfs/dbraw/zinc/90/99/61/563909961.db2.gz QRZHSZMJOHVNCA-UHFFFAOYSA-N 1 0 348.402 3.679 50 0 EHAARO CCCOc1cc(C[NH2+][C@@H]2CCCc3c2cnn3CC)ccc1OC ZINC000072298395 563912298 /nfs/dbraw/zinc/91/22/98/563912298.db2.gz IYAIDNWJFLPWPC-QGZVFWFLSA-N 1 0 343.471 3.868 50 0 EHAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cnc(C(C)(C)C)s2)cn1 ZINC000078880648 563921870 /nfs/dbraw/zinc/92/18/70/563921870.db2.gz XDAYBLNKSRKOJE-CZUORRHYSA-N 1 0 348.516 3.524 50 0 EHAARO Cc1cc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)ccc1Br ZINC000221347975 563923214 /nfs/dbraw/zinc/92/32/14/563923214.db2.gz SDADPSNBFJASEF-PZROIBLQSA-N 1 0 332.307 3.565 50 0 EHAARO Cc1ncc(C[N@H+](C)C[C@@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000058005474 563936522 /nfs/dbraw/zinc/93/65/22/563936522.db2.gz YLOHGKZYXZXZCK-CQSZACIVSA-N 1 0 346.374 3.516 50 0 EHAARO COc1ccc(C[N@H+](C)CCCc2nc3ccccc3o2)cc1OC ZINC000058175582 563939109 /nfs/dbraw/zinc/93/91/09/563939109.db2.gz IFEJAKHYCMASPX-UHFFFAOYSA-N 1 0 340.423 3.910 50 0 EHAARO Cc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCC(c2ccccc2)=N1 ZINC000058358136 563943662 /nfs/dbraw/zinc/94/36/62/563943662.db2.gz KTOSFGZVCFHLDM-OAQYLSRUSA-N 1 0 347.462 3.769 50 0 EHAARO Cc1cc2cc(CNC3CC[NH+](C[C@@H]4CCOC4)CC3)oc2cc1C ZINC000096453982 563953778 /nfs/dbraw/zinc/95/37/78/563953778.db2.gz BRHWAGYLNHUOKE-KRWDZBQOSA-N 1 0 342.483 3.640 50 0 EHAARO Cc1cc(C)n([C@@H](C)C[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)n1 ZINC000065386084 563959331 /nfs/dbraw/zinc/95/93/31/563959331.db2.gz XSCPLNHAXXKMOF-KRWDZBQOSA-N 1 0 342.487 3.721 50 0 EHAARO Cc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1C1CC1 ZINC000060395106 563963349 /nfs/dbraw/zinc/96/33/49/563963349.db2.gz QGPVFFOEZMDDCS-UHFFFAOYSA-N 1 0 331.504 3.632 50 0 EHAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071738825 563964934 /nfs/dbraw/zinc/96/49/34/563964934.db2.gz FORXSTDSYMDPJJ-AWEZNQCLSA-N 1 0 342.405 3.614 50 0 EHAARO CCc1oc(-c2nn3c(nnc3C3CC3)s2)cc1C[NH+](CC)CC ZINC000071751039 563965134 /nfs/dbraw/zinc/96/51/34/563965134.db2.gz XYSYTIBNEDGSNK-UHFFFAOYSA-N 1 0 345.472 3.727 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000097019503 563966628 /nfs/dbraw/zinc/96/66/28/563966628.db2.gz ZWRFOBYFQKLJGS-UHFFFAOYSA-N 1 0 334.423 3.543 50 0 EHAARO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000097016431 563966710 /nfs/dbraw/zinc/96/67/10/563966710.db2.gz GFDXIFPRYFCMGT-PXNSSMCTSA-N 1 0 341.524 3.674 50 0 EHAARO Cc1[nH+]c2ccc(F)cc2c(N2CCC(c3nncn3C)CC2)c1C ZINC000097144451 563968233 /nfs/dbraw/zinc/96/82/33/563968233.db2.gz FYHDCQURLDFGDT-UHFFFAOYSA-N 1 0 339.418 3.503 50 0 EHAARO c1sc(-c2ccccc2)nc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000077354938 563969144 /nfs/dbraw/zinc/96/91/44/563969144.db2.gz KOPFDGUIYXPNNF-INIZCTEOSA-N 1 0 344.480 3.628 50 0 EHAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4occc4c3)C2)CN1C1CC1 ZINC000077458069 563969818 /nfs/dbraw/zinc/96/98/18/563969818.db2.gz CXIDLIZKRIFZSN-NRFANRHFSA-N 1 0 338.451 3.800 50 0 EHAARO c1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc5nsnc5c4)C3)nc2c1 ZINC000077470863 563969888 /nfs/dbraw/zinc/96/98/88/563969888.db2.gz HXRAOTITVORYNV-CQSZACIVSA-N 1 0 349.463 3.947 50 0 EHAARO CC(C)c1noc([C@H]2CCCN2Cc2ccc3nsnc3c2)n1 ZINC000077504925 563969999 /nfs/dbraw/zinc/96/99/99/563969999.db2.gz LLRDEPQTEQSVSZ-CQSZACIVSA-N 1 0 329.429 3.535 50 0 EHAARO Cc1ccc2nc(C)cc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)c2c1 ZINC000077520967 563970186 /nfs/dbraw/zinc/97/01/86/563970186.db2.gz KFOGMWBFUPCYRW-INIZCTEOSA-N 1 0 337.467 3.550 50 0 EHAARO O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1ccccc1)Cc1ccccc1 ZINC000097212480 563970490 /nfs/dbraw/zinc/97/04/90/563970490.db2.gz QHGZFPZXAQFIKQ-FQEVSTJZSA-N 1 0 334.463 3.605 50 0 EHAARO Cc1cc2n(n1)C[C@H](C[NH2+]C1(c3ccc(Cl)cc3)CCC1)CN2 ZINC000058299928 563971105 /nfs/dbraw/zinc/97/11/05/563971105.db2.gz KKMVNCSGQSUOLC-AWEZNQCLSA-N 1 0 330.863 3.556 50 0 EHAARO C[NH+]1CCC(Nc2ccc3c(c2)N(C(=O)OC(C)(C)C)CCC3)CC1 ZINC000097038215 563971299 /nfs/dbraw/zinc/97/12/99/563971299.db2.gz LQEHEYASYAADEU-UHFFFAOYSA-N 1 0 345.487 3.880 50 0 EHAARO O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000082096540 563972138 /nfs/dbraw/zinc/97/21/38/563972138.db2.gz BQQPRSBFJWLKAG-HNNXBMFYSA-N 1 0 338.854 3.960 50 0 EHAARO Cc1ncsc1C[NH+]1CCC(c2nccn2CC2CCC2)CC1 ZINC000091305424 563975229 /nfs/dbraw/zinc/97/52/29/563975229.db2.gz MKGBKVUYRSKQDL-UHFFFAOYSA-N 1 0 330.501 3.828 50 0 EHAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1C ZINC000091550402 563975478 /nfs/dbraw/zinc/97/54/78/563975478.db2.gz CZUNPRLYMRFVOP-FOIQADDNSA-N 1 0 347.430 3.695 50 0 EHAARO O=C(Nc1ccc(Cl)cc1F)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000096148380 563979604 /nfs/dbraw/zinc/97/96/04/563979604.db2.gz OMDKJCJNAZTDII-CQSZACIVSA-N 1 0 339.842 3.961 50 0 EHAARO Cc1noc(C)c1[C@H]1CCCN1Cc1cnn(-c2ccccc2F)c1 ZINC000097076358 563981267 /nfs/dbraw/zinc/98/12/67/563981267.db2.gz MZQXQCDRWYYIRA-GOSISDBHSA-N 1 0 340.402 3.953 50 0 EHAARO COc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)cc1 ZINC000000263793 563989825 /nfs/dbraw/zinc/98/98/25/563989825.db2.gz PFALCCNINAPKLZ-AWEZNQCLSA-N 1 0 347.484 3.610 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000257365545 563993349 /nfs/dbraw/zinc/99/33/49/563993349.db2.gz LTOOEIHGCIZVQD-CILWKZBWSA-N 1 0 349.425 3.744 50 0 EHAARO CC(C)N(C)c1ccc(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)cn1 ZINC000252507902 563997860 /nfs/dbraw/zinc/99/78/60/563997860.db2.gz WWJPTIDFXTYDRT-NRFANRHFSA-N 1 0 349.478 3.903 50 0 EHAARO C[NH2+]C1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 ZINC000179135487 563999954 /nfs/dbraw/zinc/99/99/54/563999954.db2.gz OWLZLCYCDCHXPT-UHFFFAOYSA-N 1 0 346.377 3.581 50 0 EHAARO CC(=O)c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000156769065 564009400 /nfs/dbraw/zinc/00/94/00/564009400.db2.gz FIOXHHSWVFQXID-QGZVFWFLSA-N 1 0 343.471 3.537 50 0 EHAARO C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000046734635 564023928 /nfs/dbraw/zinc/02/39/28/564023928.db2.gz AUCWFCVVSQIMFC-HNNXBMFYSA-N 1 0 342.414 3.828 50 0 EHAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000015184680 564024059 /nfs/dbraw/zinc/02/40/59/564024059.db2.gz OWIVHDPVOGLMAY-CQSZACIVSA-N 1 0 345.439 3.880 50 0 EHAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000106654630 564026539 /nfs/dbraw/zinc/02/65/39/564026539.db2.gz MCTJOVGINRSMSP-GOEBONIOSA-N 1 0 342.405 3.569 50 0 EHAARO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1F ZINC000108372384 564028191 /nfs/dbraw/zinc/02/81/91/564028191.db2.gz ICVJLKFKJRHNHB-QEORTHHSSA-N 1 0 325.449 3.540 50 0 EHAARO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000047996177 564029801 /nfs/dbraw/zinc/02/98/01/564029801.db2.gz APRJUXFVNQTPIK-AWEZNQCLSA-N 1 0 349.390 3.573 50 0 EHAARO CC(C)COc1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000048118249 564029940 /nfs/dbraw/zinc/02/99/40/564029940.db2.gz UWONSOLSSPXMAF-UHFFFAOYSA-N 1 0 345.487 3.814 50 0 EHAARO Cc1cc(C)c2cc(C(=O)NCCC[NH+]3CCCCCC3)sc2n1 ZINC000032902441 564036256 /nfs/dbraw/zinc/03/62/56/564036256.db2.gz IRUWHDYFLVPCJS-UHFFFAOYSA-N 1 0 345.512 3.909 50 0 EHAARO Brc1ccccc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000225518950 564047528 /nfs/dbraw/zinc/04/75/28/564047528.db2.gz MELIEYYARTYYMD-INIZCTEOSA-N 1 0 347.256 3.635 50 0 EHAARO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000241644252 564052062 /nfs/dbraw/zinc/05/20/62/564052062.db2.gz PPOCVNLBPKXWPS-CCKFTAQKSA-N 1 0 329.465 3.639 50 0 EHAARO CC(C)[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000063502067 564057683 /nfs/dbraw/zinc/05/76/83/564057683.db2.gz OIVJUHUYKBNUGU-IBGZPJMESA-N 1 0 328.481 3.562 50 0 EHAARO CC(C)c1cc(C(=O)N(C)C2CC[NH+](C3CCC(C)CC3)CC2)no1 ZINC000120989170 564060680 /nfs/dbraw/zinc/06/06/80/564060680.db2.gz FRWYBPZWXIMUGN-UHFFFAOYSA-N 1 0 347.503 3.913 50 0 EHAARO Cc1cnc(C)c(NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000534672445 564061593 /nfs/dbraw/zinc/06/15/93/564061593.db2.gz PBFQLODUEBVFEI-KRWDZBQOSA-N 1 0 330.863 3.996 50 0 EHAARO C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000002510843 564065637 /nfs/dbraw/zinc/06/56/37/564065637.db2.gz MOJZPKOBKCXNKG-CRAIPNDOSA-N 1 0 343.398 3.669 50 0 in-vitro EHAARO CCC(CC)[C@@H](CNC(=O)Nc1ccc(OC)cc1)[NH+]1CCCC1 ZINC000012765514 564067998 /nfs/dbraw/zinc/06/79/98/564067998.db2.gz NBHDHPLTDWNWPI-GOSISDBHSA-N 1 0 333.476 3.717 50 0 EHAARO COc1ccc([C@H]([NH2+]Cc2ccc([S@](C)=O)cc2)C2CC2)cc1 ZINC000075104001 564080047 /nfs/dbraw/zinc/08/00/47/564080047.db2.gz CHMMINRBBGWTPN-AUSIDOKSSA-N 1 0 329.465 3.674 50 0 EHAARO Cc1cc2[nH]c(C(=O)Nc3ccccc3F)c(C[NH+](C)C)c2s1 ZINC000075487896 564087070 /nfs/dbraw/zinc/08/70/70/564087070.db2.gz KCSKSPVOBZPTBL-UHFFFAOYSA-N 1 0 331.416 3.991 50 0 EHAARO C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089448468 564090616 /nfs/dbraw/zinc/09/06/16/564090616.db2.gz IAUIMYPHPFSPEX-CQSZACIVSA-N 1 0 325.456 3.560 50 0 EHAARO CO[C@H](c1nnc([C@H](C)C[NH+]2CCCCCC2)o1)c1ccccc1 ZINC000521393912 564090869 /nfs/dbraw/zinc/09/08/69/564090869.db2.gz ZKLDLMAUYJIXQK-WBVHZDCISA-N 1 0 329.444 3.785 50 0 EHAARO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590914 564092610 /nfs/dbraw/zinc/09/26/10/564092610.db2.gz LLSMQVYUBWQZLE-UHFFFAOYSA-N 1 0 341.842 3.678 50 0 EHAARO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000065530962 564106964 /nfs/dbraw/zinc/10/69/64/564106964.db2.gz UNMGMKQKXKMJGM-QGZVFWFLSA-N 1 0 346.515 3.595 50 0 EHAARO O=C(C[C@@H]1C=CCC1)N[C@H](Cc1ccccc1)C[NH+]1CCCCC1 ZINC000065551830 564107459 /nfs/dbraw/zinc/10/74/59/564107459.db2.gz YOJFTNUFDLEVTM-WOJBJXKFSA-N 1 0 326.484 3.556 50 0 EHAARO O=C(COC[C@H]1CCC[NH2+]C1)Nc1ccccc1SC1CCCC1 ZINC000170591640 564108831 /nfs/dbraw/zinc/10/88/31/564108831.db2.gz UEJRPRSRRNEBGO-HNNXBMFYSA-N 1 0 348.512 3.676 50 0 EHAARO O=C(c1ncoc1-c1ccco1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000089865511 564114350 /nfs/dbraw/zinc/11/43/50/564114350.db2.gz HJFZSDWVPQXICI-HNNXBMFYSA-N 1 0 349.390 3.559 50 0 EHAARO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cc(F)c(F)c(F)c1 ZINC000089904544 564114973 /nfs/dbraw/zinc/11/49/73/564114973.db2.gz HIQKRAQTZLBOIZ-LBPRGKRZSA-N 1 0 335.373 3.819 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000089948685 564115713 /nfs/dbraw/zinc/11/57/13/564115713.db2.gz YPSBWQZYAKETEB-JCGVRSQUSA-N 1 0 336.426 3.653 50 0 EHAARO CC(C)C(=O)Nc1cccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000076396066 564116583 /nfs/dbraw/zinc/11/65/83/564116583.db2.gz IOYQVZSXEZFRFX-UHFFFAOYSA-N 1 0 336.357 3.988 50 0 EHAARO C[N@H+](CCN)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252461627 564118718 /nfs/dbraw/zinc/11/87/18/564118718.db2.gz NDAWUPLIPPNPGL-IFDAXIGBSA-N 1 0 348.575 3.649 50 0 EHAARO O=C([C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000252517505 564120286 /nfs/dbraw/zinc/12/02/86/564120286.db2.gz KHKSBJLGLRDZNI-PWRODBHTSA-N 1 0 334.463 3.886 50 0 EHAARO Cc1nc2ccc(N(C)C(=O)C[C@H]([NH3+])c3ccccc3)cc2s1 ZINC000170682454 564121517 /nfs/dbraw/zinc/12/15/17/564121517.db2.gz BNMBYFCBIINAOI-HNNXBMFYSA-N 1 0 325.437 3.658 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000194526179 564121589 /nfs/dbraw/zinc/12/15/89/564121589.db2.gz LLZCFVYVWFMQID-VDGAXYAQSA-N 1 0 331.456 3.594 50 0 EHAARO CO[C@H](C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000195532179 564123623 /nfs/dbraw/zinc/12/36/23/564123623.db2.gz LBAGFOMMFLBGJA-LZQZEXGQSA-N 1 0 345.487 3.873 50 0 EHAARO CC[C@H](Sc1ccccc1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000253417808 564130839 /nfs/dbraw/zinc/13/08/39/564130839.db2.gz MAZIMXRLHJJTJY-NUJGCVRESA-N 1 0 332.513 3.643 50 0 EHAARO CC(C)(C)c1cnc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)s1 ZINC000253429630 564131289 /nfs/dbraw/zinc/13/12/89/564131289.db2.gz UHFWLFGXIAUDFG-MLGOLLRUSA-N 1 0 326.531 3.585 50 0 EHAARO Cc1ccc2c(-c3cccc(C(=O)N4CC[C@H]([NH3+])C4)c3)ccnc2c1C ZINC000584898609 564131675 /nfs/dbraw/zinc/13/16/75/564131675.db2.gz QKPVGPVCJZQXIL-SFHVURJKSA-N 1 0 345.446 3.692 50 0 EHAARO C[N@H+](CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531176 564133023 /nfs/dbraw/zinc/13/30/23/564133023.db2.gz NDAWUPLIPPNPGL-YGZDAZCWSA-N 1 0 348.575 3.649 50 0 biogenic EHAARO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(SC(F)F)cc1 ZINC000095422426 564140093 /nfs/dbraw/zinc/14/00/93/564140093.db2.gz IIOZZMKXPQEWEG-ZDUSSCGKSA-N 1 0 344.471 3.763 50 0 EHAARO Cc1ccccc1[C@@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)C1CC1 ZINC000095462810 564140861 /nfs/dbraw/zinc/14/08/61/564140861.db2.gz FFEJNZDWAMYHKT-UZLBHIALSA-N 1 0 343.492 3.898 50 0 EHAARO COC[C@@H]([NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C)C1CC1 ZINC000095466642 564141047 /nfs/dbraw/zinc/14/10/47/564141047.db2.gz IEANMTUEEWFUBU-GOSISDBHSA-N 1 0 332.488 3.887 50 0 EHAARO CN(C)c1ncccc1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095966146 564142963 /nfs/dbraw/zinc/14/29/63/564142963.db2.gz XNHCUPUAOAQODL-UHFFFAOYSA-N 1 0 326.831 3.639 50 0 EHAARO COc1cc(F)c([C@H](C)[NH2+]Cc2c(C)nc3ccccn32)cc1OC ZINC000095985183 564143916 /nfs/dbraw/zinc/14/39/16/564143916.db2.gz RRAHNIACZCUTQY-LBPRGKRZSA-N 1 0 343.402 3.650 50 0 EHAARO COc1cccc2cc([C@@H](C)[NH2+]CCc3cn4c(n3)CCCC4)oc21 ZINC000095987792 564143963 /nfs/dbraw/zinc/14/39/63/564143963.db2.gz PVJXNBIMPKTRFY-CQSZACIVSA-N 1 0 339.439 3.868 50 0 EHAARO C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)CCC(F)(F)F ZINC000095987227 564143997 /nfs/dbraw/zinc/14/39/97/564143997.db2.gz FRECWZMVUYPVHC-UHFFFAOYSA-N 1 0 337.769 3.928 50 0 EHAARO CC1CC[NH+](CC(=O)N2CC=C(c3cncc4ccccc43)CC2)CC1 ZINC000096012064 564144685 /nfs/dbraw/zinc/14/46/85/564144685.db2.gz SFIMOVURPBLWNT-UHFFFAOYSA-N 1 0 349.478 3.582 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cncn3)c2)c1 ZINC000096478967 564148506 /nfs/dbraw/zinc/14/85/06/564148506.db2.gz GDNKABAWAPPSOD-LSDHHAIUSA-N 1 0 349.438 3.638 50 0 EHAARO Cn1nccc1CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285027682 564149468 /nfs/dbraw/zinc/14/94/68/564149468.db2.gz MUYZQCDDZIMJFF-IBGZPJMESA-N 1 0 335.455 3.580 50 0 EHAARO Cc1nn(C)c(C)c1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000055449051 564149900 /nfs/dbraw/zinc/14/99/00/564149900.db2.gz MARVRUMIRMDSFY-CQSZACIVSA-N 1 0 340.471 3.664 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F ZINC000057406485 564153960 /nfs/dbraw/zinc/15/39/60/564153960.db2.gz ICIQSOVDEFOGEH-LLVKDONJSA-N 1 0 340.320 3.961 50 0 EHAARO CCc1cc2c(C[N@H+](C)Cc3cccs3)cc(=O)oc2cc1O ZINC000057406504 564153968 /nfs/dbraw/zinc/15/39/68/564153968.db2.gz HZEXBFAKNOKEMQ-UHFFFAOYSA-N 1 0 329.421 3.755 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000003194209 564155867 /nfs/dbraw/zinc/15/58/67/564155867.db2.gz FENHHUPSODCNBY-UHFFFAOYSA-N 1 0 347.462 3.973 50 0 EHAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCc3ccco3)cc2)CC1 ZINC000031201884 564159129 /nfs/dbraw/zinc/15/91/29/564159129.db2.gz RADCZRQBTKJLGP-UHFFFAOYSA-N 1 0 340.467 3.761 50 0 EHAARO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)o2)n(CC(F)(F)F)n1 ZINC000670456930 564160378 /nfs/dbraw/zinc/16/03/78/564160378.db2.gz IQOZRTUTOLMKQM-LLVKDONJSA-N 1 0 342.365 3.956 50 0 EHAARO C[C@H](NC(=O)CCc1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000008013587 564162133 /nfs/dbraw/zinc/16/21/33/564162133.db2.gz PXCOGWPPVCRMKI-AWEZNQCLSA-N 1 0 325.437 3.744 50 0 EHAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O ZINC000008714111 564166660 /nfs/dbraw/zinc/16/66/60/564166660.db2.gz BTIAOWLIJRQCHG-UHFFFAOYSA-N 1 0 330.428 3.657 50 0 EHAARO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000069435677 564169444 /nfs/dbraw/zinc/16/94/44/564169444.db2.gz OYKYQRLNLJOPLF-IBGZPJMESA-N 1 0 333.435 3.648 50 0 EHAARO COCc1ccccc1NC(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000069703194 564171649 /nfs/dbraw/zinc/17/16/49/564171649.db2.gz YWCWMHMFZHNKGH-SFHVURJKSA-N 1 0 345.487 3.705 50 0 EHAARO c1cc(C[NH2+]Cc2ccc(N3CCCC3)nc2)n(Cc2ccccc2)c1 ZINC000069814280 564172352 /nfs/dbraw/zinc/17/23/52/564172352.db2.gz LWEDYIUHMJNXQI-UHFFFAOYSA-N 1 0 346.478 3.821 50 0 EHAARO O=C(C[C@H]1C=CCC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400329 564173813 /nfs/dbraw/zinc/17/38/13/564173813.db2.gz HLJGNAQVJRBLHQ-YJBOKZPZSA-N 1 0 332.875 3.949 50 0 EHAARO CCc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000019739970 1018072746 /nfs/dbraw/zinc/07/27/46/1018072746.db2.gz SPFSALNZWCQRNQ-UHFFFAOYSA-N 1 0 332.451 3.566 50 0 EHAARO COc1ccc([C@H]2[NH2+]C(C)(C)Cc3cc(OC)c(OC)cc32)cc1 ZINC000022171364 1018243043 /nfs/dbraw/zinc/24/30/43/1018243043.db2.gz KHOMHKAECWZXKI-LJQANCHMSA-N 1 0 327.424 3.726 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000023281192 1027621468 /nfs/dbraw/zinc/62/14/68/1027621468.db2.gz DOLUUTGDNCGHCD-INIZCTEOSA-N 1 0 327.424 3.624 50 0 EHAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000081363963 1030218111 /nfs/dbraw/zinc/21/81/11/1030218111.db2.gz WJHHKWIZKQKFLU-ZDUSSCGKSA-N 1 0 334.847 3.890 50 0 EHAARO CC1(C)CCC(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000179438556 1034306684 /nfs/dbraw/zinc/30/66/84/1034306684.db2.gz CSKBENKLIZEGDQ-IBGZPJMESA-N 1 0 328.500 3.841 50 0 EHAARO CC(C)[NH+]1CCC(Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CC1 ZINC000186672461 1036969382 /nfs/dbraw/zinc/96/93/82/1036969382.db2.gz IUVGSMRBRFDVND-UHFFFAOYSA-N 1 0 341.499 3.661 50 0 EHAARO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncnc3sccc32)CC1 ZINC000119258226 1043003566 /nfs/dbraw/zinc/00/35/66/1043003566.db2.gz JFOVHCYUWRHEMG-CYBMUJFWSA-N 1 0 339.468 3.724 50 0 EHAARO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cscc1C(F)(F)F ZINC000888100723 1043271371 /nfs/dbraw/zinc/27/13/71/1043271371.db2.gz KOYOKHZMPQTFEN-CQSZACIVSA-N 1 0 342.386 3.759 50 0 EHAARO Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]CCn1cccn1 ZINC000180434298 1124002123 /nfs/dbraw/zinc/00/21/23/1124002123.db2.gz JIUVIKIOTAPXDX-ZDUSSCGKSA-N 1 0 326.227 3.693 50 0 EHAARO Cc1ccccc1N1CCC([NH2+][C@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000825236164 1131259092 /nfs/dbraw/zinc/25/90/92/1131259092.db2.gz DKXWIMXDKUJBKK-HXUWFJFHSA-N 1 0 340.515 3.865 50 0 EHAARO Cc1cnc(CC[N@@H+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)s1 ZINC000091701383 1124995965 /nfs/dbraw/zinc/99/59/65/1124995965.db2.gz CSWGZRGVSNUDIC-GOSISDBHSA-N 1 0 346.496 3.684 50 0 EHAARO C[C@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1cc(F)cc(F)c1 ZINC000826560508 1131326909 /nfs/dbraw/zinc/32/69/09/1131326909.db2.gz RQKCDPPFUPDMID-AWEZNQCLSA-N 1 0 336.426 3.941 50 0 EHAARO O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccco2)C1 ZINC000012149426 1129391371 /nfs/dbraw/zinc/39/13/71/1129391371.db2.gz CHULGTXUMMQQRV-APWZRJJASA-N 1 0 342.414 3.545 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[N@H+](CCO)Cc2cccs2)cc1C ZINC000012302201 1129506760 /nfs/dbraw/zinc/50/67/60/1129506760.db2.gz GTJSYVMJCFPARO-UHFFFAOYSA-N 1 0 341.480 3.750 50 0 EHAARO CC1(C)C[C@H](C(=O)Nc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000827763329 1131405615 /nfs/dbraw/zinc/40/56/15/1131405615.db2.gz HHPHDNNIAWYTIQ-MRXNPFEDSA-N 1 0 330.472 3.816 50 0 EHAARO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccc2nonc2c1 ZINC000823719854 1131079668 /nfs/dbraw/zinc/07/96/68/1131079668.db2.gz REFYMJQLLXZAST-UHFFFAOYSA-N 1 0 342.468 3.512 50 0 EHAARO COc1ccc2[nH]c(C[NH2+][C@H]3CCc4ccc(OC)cc4C3)cc2c1 ZINC000824750854 1131216429 /nfs/dbraw/zinc/21/64/29/1131216429.db2.gz FDTOEIBNMIGCLH-KRWDZBQOSA-N 1 0 336.435 3.832 50 0 EHAARO Cn1nc(C(F)F)cc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000828147035 1131423533 /nfs/dbraw/zinc/42/35/33/1131423533.db2.gz KMJLWSOKPBWXKY-UHFFFAOYSA-N 1 0 348.397 3.596 50 0 EHAARO CCOc1ccccc1C[N@@H+]1CC[C@H](n2c(C)cnc2C2CC2)C1 ZINC000575548850 1131572300 /nfs/dbraw/zinc/57/23/00/1131572300.db2.gz KHLPHTYMZLBJFQ-SFHVURJKSA-N 1 0 325.456 3.915 50 0 EHAARO Cc1cnc(-c2ccncc2)n1C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000575547473 1131572360 /nfs/dbraw/zinc/57/23/60/1131572360.db2.gz DTCNKPQDMZXKBD-LJQANCHMSA-N 1 0 347.466 3.561 50 0 EHAARO CCC(CC)C[NH+]1CCC2(CC1)C[C@@H](Cc1nc(C)no1)CCO2 ZINC000581804674 1132367397 /nfs/dbraw/zinc/36/73/97/1132367397.db2.gz WPQCLRMQGRGYTA-QGZVFWFLSA-N 1 0 335.492 3.618 50 0 EHAARO CCOC1(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)CCCC1 ZINC000585081796 1136965389 /nfs/dbraw/zinc/96/53/89/1136965389.db2.gz CYPJINUILOJILQ-UHFFFAOYSA-N 1 0 342.483 3.521 50 0 EHAARO CCOc1ccc(C[NH2+]Cc2cccc(C3(C)OCCO3)c2)cc1 ZINC000585086395 1136982012 /nfs/dbraw/zinc/98/20/12/1136982012.db2.gz RFEYHILJMWFTBP-UHFFFAOYSA-N 1 0 327.424 3.595 50 0 EHAARO CC[C@H]([NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3)c1cccs1 ZINC000952870226 1137482996 /nfs/dbraw/zinc/48/29/96/1137482996.db2.gz YJAONPFOVGIQJG-ZDUSSCGKSA-N 1 0 342.420 3.972 50 0 EHAARO CCSc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000952869974 1137483068 /nfs/dbraw/zinc/48/30/68/1137483068.db2.gz RTCXGUWAYTZPBM-OAHLLOKOSA-N 1 0 348.512 3.628 50 0 EHAARO CCN1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000952980983 1137484318 /nfs/dbraw/zinc/48/43/18/1137484318.db2.gz YDZDHUVXXXVMJM-LJQANCHMSA-N 1 0 333.495 3.567 50 0 EHAARO C[C@@H](c1ccncc1)N(C)Cc1cnc(NCc2ccccc2)nc1 ZINC000952979030 1137484818 /nfs/dbraw/zinc/48/48/18/1137484818.db2.gz WPHQSDCUXRMUFP-INIZCTEOSA-N 1 0 333.439 3.677 50 0 EHAARO Cc1cccc(N2CCC([NH2+]Cc3cnc(-c4ccco4)nc3)CC2)c1 ZINC000952980657 1137484860 /nfs/dbraw/zinc/48/48/60/1137484860.db2.gz AJAHXXIEGWYBDK-UHFFFAOYSA-N 1 0 348.450 3.804 50 0 EHAARO Fc1ccc(N2CCC([N@@H+]3CCO[C@H](c4ccccc4)C3)CC2)cc1 ZINC000952981721 1137485238 /nfs/dbraw/zinc/48/52/38/1137485238.db2.gz USDWGMKIHGFMQF-NRFANRHFSA-N 1 0 340.442 3.868 50 0 EHAARO CC(C)Cn1ccc2cc(NC(=O)NC[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000108513294 1140003093 /nfs/dbraw/zinc/00/30/93/1140003093.db2.gz MVDGSGPPHFEFFS-INIZCTEOSA-N 1 0 342.487 3.761 50 0 EHAARO Cc1nnc([C@H](C)[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000111260545 1140639823 /nfs/dbraw/zinc/63/98/23/1140639823.db2.gz OIITWLUMCTURFN-NSHDSACASA-N 1 0 328.391 3.939 50 0 EHAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCCCCC1 ZINC000004744921 210267300 /nfs/dbraw/zinc/26/73/00/210267300.db2.gz BKCYIAHMYRQOMY-QGZVFWFLSA-N 1 0 334.891 3.955 50 0 EHAARO C[C@@H]1CC[N@H+](Cc2csc(-c3cnn(C)c3)n2)[C@H]2CCCC[C@H]12 ZINC000052441235 214128904 /nfs/dbraw/zinc/12/89/04/214128904.db2.gz DOCLKQMVODZZPI-XYPHTWIQSA-N 1 0 330.501 3.944 50 0 EHAARO O=C(c1ccncc1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000054991899 214263577 /nfs/dbraw/zinc/26/35/77/214263577.db2.gz QVTUHFJVDXCSJZ-UHFFFAOYSA-N 1 0 349.478 3.566 50 0 EHAARO Cc1ccc(OC[C@H]2CCC[N@H+](Cc3nc(C)ccc3O)C2)cc1 ZINC000055152805 214278696 /nfs/dbraw/zinc/27/86/96/214278696.db2.gz FSMWTPIQWODORM-KRWDZBQOSA-N 1 0 326.440 3.695 50 0 EHAARO CN(Cc1cccnc1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000055211191 214288549 /nfs/dbraw/zinc/28/85/49/214288549.db2.gz GFNOLRNQKTZTEV-FQEVSTJZSA-N 1 0 341.474 3.607 50 0 EHAARO Cc1cccc(-c2ncc(C[NH2+]C[C@@H]3OCCc4ccccc43)cn2)c1 ZINC000055168054 214282654 /nfs/dbraw/zinc/28/26/54/214282654.db2.gz RWMJREYJGSHRPW-NRFANRHFSA-N 1 0 345.446 3.856 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N(Cc2ccncc2)[C@@H](C)CC)CC1 ZINC000055253090 214297214 /nfs/dbraw/zinc/29/72/14/214297214.db2.gz DECXUKNPERYIBB-KRWDZBQOSA-N 1 0 331.504 3.721 50 0 EHAARO C[N@H+](CCCSc1ccccc1)Cc1cccn1-c1ncccn1 ZINC000055392837 214316445 /nfs/dbraw/zinc/31/64/45/214316445.db2.gz WICKQAIVRBTIGY-UHFFFAOYSA-N 1 0 338.480 3.882 50 0 EHAARO Cc1c(F)cccc1C[NH+]1CCC(n2cc(CC(C)C)nn2)CC1 ZINC000055359457 214311968 /nfs/dbraw/zinc/31/19/68/214311968.db2.gz WZDOYUFGEBUUHP-UHFFFAOYSA-N 1 0 330.451 3.761 50 0 EHAARO Cc1cccc(-c2ncc(C[NH2+][C@H](C)Cc3ncccc3C)cn2)c1 ZINC000055405125 214319909 /nfs/dbraw/zinc/31/99/09/214319909.db2.gz IKUCLTFNHZFPKY-QGZVFWFLSA-N 1 0 332.451 3.876 50 0 EHAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CCc1ccc(Cl)s1 ZINC000055407779 214321972 /nfs/dbraw/zinc/32/19/72/214321972.db2.gz CHNZCKPBXMHSCD-QWHCGFSZSA-N 1 0 328.909 3.571 50 0 EHAARO CC[NH+](CC)Cc1ccccc1NCC(=O)N1CCCCCCC1 ZINC000059803349 214623316 /nfs/dbraw/zinc/62/33/16/214623316.db2.gz WNJOKOHQBFKUKV-UHFFFAOYSA-N 1 0 331.504 3.733 50 0 EHAARO CCCn1c2ccccc2c2nnc(SCC[NH+](CC)CC)nc21 ZINC000004383903 210183750 /nfs/dbraw/zinc/18/37/50/210183750.db2.gz YAAXZACAFZHLCZ-UHFFFAOYSA-N 1 0 343.500 3.823 50 0 EHAARO [NH3+]C[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000004240485 210149802 /nfs/dbraw/zinc/14/98/02/210149802.db2.gz OQGTVTJFIBDELU-HNNXBMFYSA-N 1 0 336.435 3.606 50 0 EHAARO Cc1cc(C[NH+]2CCCCC2)cc(C)c1Oc1ncccc1C(N)=O ZINC000067473238 215151669 /nfs/dbraw/zinc/15/16/69/215151669.db2.gz YYIBLASGCGJRRL-UHFFFAOYSA-N 1 0 339.439 3.576 50 0 EHAARO CCc1cc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)on1 ZINC000067643114 215171463 /nfs/dbraw/zinc/17/14/63/215171463.db2.gz XZLNPRMKVBWNNP-LEWJYISDSA-N 1 0 336.435 3.741 50 0 EHAARO O=C(C[NH2+]CCc1c[nH]c2ccccc12)NC1CCCCCCC1 ZINC000067673131 215177274 /nfs/dbraw/zinc/17/72/74/215177274.db2.gz PRQBLACQHANLJP-UHFFFAOYSA-N 1 0 327.472 3.529 50 0 EHAARO CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C1=CCC[N@H+](C)C1 ZINC000067675978 215181887 /nfs/dbraw/zinc/18/18/87/215181887.db2.gz ZGMKCXQZMNUIBR-HNNXBMFYSA-N 1 0 327.255 3.764 50 0 EHAARO CC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC000067676573 215183455 /nfs/dbraw/zinc/18/34/55/215183455.db2.gz OVOTYTHPMVMEKE-QFIPXVFZSA-N 1 0 336.479 3.983 50 0 EHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(CCO)CC1 ZINC000067697449 215188991 /nfs/dbraw/zinc/18/89/91/215188991.db2.gz AODWABDVJJDTOA-UHFFFAOYSA-N 1 0 334.847 3.898 50 0 EHAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000067774062 215208996 /nfs/dbraw/zinc/20/89/96/215208996.db2.gz DSFDYFOQCRSAOI-LJQANCHMSA-N 1 0 336.439 3.873 50 0 EHAARO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000067804310 215216896 /nfs/dbraw/zinc/21/68/96/215216896.db2.gz QJGGRZKDXAGBIH-INIZCTEOSA-N 1 0 339.483 3.609 50 0 EHAARO Cc1cc(-n2cccn2)ccc1-c1nccn1CC[C@@H]1CCC[N@H+]1C ZINC000067851357 215230962 /nfs/dbraw/zinc/23/09/62/215230962.db2.gz RSPRWIQTDTWVQK-KRWDZBQOSA-N 1 0 335.455 3.529 50 0 EHAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCC[C@@H]3c3ccccn3)cc2c1 ZINC000067921127 215251510 /nfs/dbraw/zinc/25/15/10/215251510.db2.gz CIJKQYQJIDVMMS-HXUWFJFHSA-N 1 0 349.434 3.659 50 0 EHAARO CSc1ccc(-c2nc(CN3CCC[C@H](C[NH3+])C3)c(C)o2)cc1 ZINC000067935125 215254344 /nfs/dbraw/zinc/25/43/44/215254344.db2.gz NZUFBPWDRBJYSY-CQSZACIVSA-N 1 0 331.485 3.543 50 0 EHAARO c1coc(-c2nc(CN3CCC(C[NH+]4CCCC4)CC3)cs2)c1 ZINC000040540614 213343028 /nfs/dbraw/zinc/34/30/28/213343028.db2.gz LXXBZRGNTLVJBU-UHFFFAOYSA-N 1 0 331.485 3.711 50 0 EHAARO Cc1ccc(CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C2CC2)o1 ZINC000040138976 213270900 /nfs/dbraw/zinc/27/09/00/213270900.db2.gz UXYMEMBDDWQFGQ-MRXNPFEDSA-N 1 0 347.484 3.626 50 0 EHAARO CC(C)(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000040047582 213254451 /nfs/dbraw/zinc/25/44/51/213254451.db2.gz CNNZZARNKQJCMS-FQEVSTJZSA-N 1 0 336.479 3.918 50 0 EHAARO COc1cccc(-c2noc3c2C[N@@H+](C2CCSCC2)CC3)c1 ZINC000039500102 213237637 /nfs/dbraw/zinc/23/76/37/213237637.db2.gz ZMJFJUZFRIIQKE-UHFFFAOYSA-N 1 0 330.453 3.604 50 0 EHAARO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000035672094 213045094 /nfs/dbraw/zinc/04/50/94/213045094.db2.gz MBDWWTCEBPGKAA-LJQANCHMSA-N 1 0 337.419 3.722 50 0 EHAARO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000071831349 215864007 /nfs/dbraw/zinc/86/40/07/215864007.db2.gz MROGASQJYKKYQG-OAHLLOKOSA-N 1 0 340.471 3.616 50 0 EHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)o1 ZINC000072145425 216032815 /nfs/dbraw/zinc/03/28/15/216032815.db2.gz VNNMEDZMGGRBDO-MRXNPFEDSA-N 1 0 344.430 3.623 50 0 EHAARO c1c2ccccc2oc1C[NH+]1CCN(c2ncnc3ccccc32)CC1 ZINC000072150882 216038992 /nfs/dbraw/zinc/03/89/92/216038992.db2.gz BRUREELFSUCDGD-UHFFFAOYSA-N 1 0 344.418 3.698 50 0 EHAARO CCn1ccc2ccc(C[N@@H+]3CCCN(Cc4cccnc4)CC3)cc21 ZINC000072167645 216056972 /nfs/dbraw/zinc/05/69/72/216056972.db2.gz CVXBYKWWWPXVPN-UHFFFAOYSA-N 1 0 348.494 3.764 50 0 EHAARO Cc1ccc(-c2cc(CN3CCCC[C@@H]3CC[NH+](C)C)on2)cc1 ZINC000072169742 216061053 /nfs/dbraw/zinc/06/10/53/216061053.db2.gz YOWYUTSSZJNWBQ-GOSISDBHSA-N 1 0 327.472 3.956 50 0 EHAARO O[C@@]1(c2ccc(Cl)cc2)CN2CCCCCC2=[N+]1c1ccccc1 ZINC000000407419 209570713 /nfs/dbraw/zinc/57/07/13/209570713.db2.gz TURNCXIWHSWEIA-HXUWFJFHSA-N 1 0 341.862 3.990 50 0 EHAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCc1ccc(F)cc1 ZINC000072283579 216112921 /nfs/dbraw/zinc/11/29/21/216112921.db2.gz MNVWIWGRJUDRFT-UHFFFAOYSA-N 1 0 340.398 3.606 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000108352587 219846311 /nfs/dbraw/zinc/84/63/11/219846311.db2.gz UPWPVKRISVOSNH-ZIAGYGMSSA-N 1 0 336.430 3.766 50 0 EHAARO c1ncc(C[N@@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)[nH]1 ZINC000072424705 216214510 /nfs/dbraw/zinc/21/45/10/216214510.db2.gz QRIAAHGOHSNVKK-UHFFFAOYSA-N 1 0 347.466 3.593 50 0 EHAARO O=C(Cc1ccc(F)cc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027143583 212547876 /nfs/dbraw/zinc/54/78/76/212547876.db2.gz DQXZHTVCQXGMLQ-UHFFFAOYSA-N 1 0 326.415 3.993 50 0 EHAARO CS[C@H](C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000072949279 216331778 /nfs/dbraw/zinc/33/17/78/216331778.db2.gz HDSWRLRYWAGGFV-XYPHTWIQSA-N 1 0 333.501 3.811 50 0 EHAARO O=C(CCc1ccco1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023762753 212394472 /nfs/dbraw/zinc/39/44/72/212394472.db2.gz WSTLLCFVIIURNM-UHFFFAOYSA-N 1 0 348.446 3.710 50 0 EHAARO C[C@H](c1cccc(-c2nc3c(-c4ccccn4)[nH]n(C)c-3n2)c1)[NH+](C)C ZINC000023478372 212378802 /nfs/dbraw/zinc/37/88/02/212378802.db2.gz TUEOATQRFVPDFD-CYBMUJFWSA-N 1 0 346.438 3.648 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000023105535 212348781 /nfs/dbraw/zinc/34/87/81/212348781.db2.gz XYEJJLWLVGGQAG-LBPRGKRZSA-N 1 0 326.824 3.573 50 0 EHAARO CC(C)[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)[NH+](C)C ZINC000022754492 212320847 /nfs/dbraw/zinc/32/08/47/212320847.db2.gz XTNWZRYYXAAANV-GOSISDBHSA-N 1 0 338.451 3.831 50 0 EHAARO Cc1oc(-c2cccs2)nc1C[N@@H+](C)CCCc1nccn1C ZINC000215863074 241151635 /nfs/dbraw/zinc/15/16/35/241151635.db2.gz ZMSDPWQWSBQPDA-UHFFFAOYSA-N 1 0 330.457 3.510 50 0 EHAARO Cc1ccccc1[C@H](CNC(=O)c1cnoc1-c1ccccc1)[NH+](C)C ZINC000216463218 241194087 /nfs/dbraw/zinc/19/40/87/241194087.db2.gz CVWWAXJRWYUCKW-IBGZPJMESA-N 1 0 349.434 3.683 50 0 EHAARO c1nc(N2CCCC2)sc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000215578999 241133459 /nfs/dbraw/zinc/13/34/59/241133459.db2.gz OHXBRXLOKRIOMO-UHFFFAOYSA-N 1 0 328.485 3.518 50 0 EHAARO COc1cc2c(cc1OC)[C@@H](c1cccc(Br)c1)[NH2+]CC2 ZINC000022018353 212271643 /nfs/dbraw/zinc/27/16/43/212271643.db2.gz SFBPSVMVHHKKOC-QGZVFWFLSA-N 1 0 348.240 3.701 50 0 EHAARO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(Cl)cc1 ZINC000221718295 241473990 /nfs/dbraw/zinc/47/39/90/241473990.db2.gz JVHXYBBXHNRBJZ-DQYPLSBCSA-N 1 0 326.831 3.870 50 0 EHAARO CCCOc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000021148696 212211629 /nfs/dbraw/zinc/21/16/29/212211629.db2.gz NRNRJLMUKBLEGM-GOSISDBHSA-N 1 0 344.499 3.956 50 0 EHAARO COc1ccc(-c2nc(C[NH+]3CCC(C)CC3)c(C)o2)c(OC)c1 ZINC000020997369 212196459 /nfs/dbraw/zinc/19/64/59/212196459.db2.gz YSYCJGZAXCPQIN-UHFFFAOYSA-N 1 0 330.428 3.899 50 0 EHAARO COC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000241869050 243003422 /nfs/dbraw/zinc/00/34/22/243003422.db2.gz STYWTTLZSQMTHS-ULQDDVLXSA-N 1 0 341.904 3.672 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccc2c(c1)CCC2 ZINC000244778683 243079783 /nfs/dbraw/zinc/07/97/83/243079783.db2.gz PUVTXTWXQNHCJU-FQEVSTJZSA-N 1 0 335.451 3.736 50 0 EHAARO O=C(NCc1ccco1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000020715297 212163417 /nfs/dbraw/zinc/16/34/17/212163417.db2.gz HDYZQORMRJVEBB-UHFFFAOYSA-N 1 0 346.430 3.617 50 0 EHAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000020599670 212151054 /nfs/dbraw/zinc/15/10/54/212151054.db2.gz YRLKUDLYXVNJQT-SFHVURJKSA-N 1 0 341.480 3.580 50 0 EHAARO CC[NH+]1CCN(CCCOc2ccc(Cc3ccccc3)cc2)CC1 ZINC000020406317 212125777 /nfs/dbraw/zinc/12/57/77/212125777.db2.gz HFWKCDIFIVOZRL-UHFFFAOYSA-N 1 0 338.495 3.684 50 0 EHAARO CC[NH+]1CCN(CCCOc2ccccc2Cc2ccccc2)CC1 ZINC000020390062 212124947 /nfs/dbraw/zinc/12/49/47/212124947.db2.gz SCCWUSVORMCMEQ-UHFFFAOYSA-N 1 0 338.495 3.684 50 0 EHAARO COc1ccc(C[NH2+]CC(O)(c2ccccc2)c2ccccc2)cc1 ZINC000020219096 212113558 /nfs/dbraw/zinc/11/35/58/212113558.db2.gz NGMUFQFQWYRUHU-UHFFFAOYSA-N 1 0 333.431 3.721 50 0 EHAARO O=C(N1CC[NH+](C2CCCCC2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000020160414 212107018 /nfs/dbraw/zinc/10/70/18/212107018.db2.gz DSKPLRGRGPRPHQ-UHFFFAOYSA-N 1 0 330.516 3.680 50 0 EHAARO COc1ccc([C@](O)(C[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019205319 212004726 /nfs/dbraw/zinc/00/47/26/212004726.db2.gz XXJMRCSHZFLZPI-QFIPXVFZSA-N 1 0 333.431 3.721 50 0 EHAARO CC[C@H]1CCc2sc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2C1 ZINC000016602588 211917273 /nfs/dbraw/zinc/91/72/73/211917273.db2.gz DSSXMAATKCAIHF-AWEZNQCLSA-N 1 0 334.529 3.866 50 0 EHAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000013327648 211545763 /nfs/dbraw/zinc/54/57/63/211545763.db2.gz PKRPMDAJVZZTDG-MRXNPFEDSA-N 1 0 346.515 3.742 50 0 EHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012458119 211388933 /nfs/dbraw/zinc/38/89/33/211388933.db2.gz ORDKWIFDDVEYBN-KRWDZBQOSA-N 1 0 344.455 3.968 50 0 EHAARO CSc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012315163 211344888 /nfs/dbraw/zinc/34/48/88/211344888.db2.gz DULFDFQZNZJTGT-HXUWFJFHSA-N 1 0 344.524 3.747 50 0 EHAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccccn2)C1)Nc1ccccc1F ZINC000012309000 211342738 /nfs/dbraw/zinc/34/27/38/211342738.db2.gz HJFOOEOTBICLOW-MRXNPFEDSA-N 1 0 341.430 3.852 50 0 EHAARO Cc1cccnc1N1CC[C@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012198934 211318613 /nfs/dbraw/zinc/31/86/13/211318613.db2.gz QUFRQGMVVLRNAL-FQEVSTJZSA-N 1 0 336.483 3.524 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc2[nH]ccc2c1 ZINC000012072604 211286837 /nfs/dbraw/zinc/28/68/37/211286837.db2.gz SEMHWYOFXORJOG-HXUWFJFHSA-N 1 0 347.462 3.605 50 0 EHAARO COc1ccc(CC2(CO)CC[NH+](Cc3ccc(C)s3)CC2)cc1 ZINC000012055923 211285023 /nfs/dbraw/zinc/28/50/23/211285023.db2.gz AQGSRHBSJSDCBF-UHFFFAOYSA-N 1 0 345.508 3.882 50 0 EHAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000011998544 211277679 /nfs/dbraw/zinc/27/76/79/211277679.db2.gz BQMSMHLQTAWPNK-XXIDSNJLSA-N 1 0 349.446 3.521 50 0 EHAARO COc1cc(CN2C[C@H]3CC[C@H](C[N@H+]3C)C2)ccc1OCC=C(C)C ZINC000091462542 218010543 /nfs/dbraw/zinc/01/05/43/218010543.db2.gz UOTMOVPQUQCNGD-RTBURBONSA-N 1 0 344.499 3.566 50 0 EHAARO O=C(c1cccc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091616757 218031843 /nfs/dbraw/zinc/03/18/43/218031843.db2.gz ODILAHFOEUVHAH-IEBWSBKVSA-N 1 0 334.463 3.786 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)c1 ZINC000011816482 211250687 /nfs/dbraw/zinc/25/06/87/211250687.db2.gz RKPVWRWNCUMNKX-OAQYLSRUSA-N 1 0 343.442 3.652 50 0 EHAARO Oc1cccc(C[NH2+]Cc2cccnc2N2CCCCCCC2)c1 ZINC000011879525 211263493 /nfs/dbraw/zinc/26/34/93/211263493.db2.gz GPBZPGQDDDVJGT-UHFFFAOYSA-N 1 0 325.456 3.848 50 0 EHAARO COCC[C@]1(O)CC[N@H+](Cc2ccccc2-c2ccc(C)o2)C[C@H]1C ZINC000091724420 218053072 /nfs/dbraw/zinc/05/30/72/218053072.db2.gz PDATVIKELMVYKF-IIBYNOLFSA-N 1 0 343.467 3.864 50 0 EHAARO O=C(c1ccoc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011761757 211245252 /nfs/dbraw/zinc/24/52/52/211245252.db2.gz ADXVWSJCDSKMGV-FQEVSTJZSA-N 1 0 342.414 3.547 50 0 EHAARO Cc1scc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c1-c1ccccc1 ZINC000091988455 218099391 /nfs/dbraw/zinc/09/93/91/218099391.db2.gz NHQWLMFVXZMIOZ-DOTOQJQBSA-N 1 0 340.492 3.890 50 0 EHAARO Cc1ccc([C@@H]([NH2+]Cc2cc(=O)n3cccc(C)c3n2)C2CC2)cc1 ZINC000010028307 211141778 /nfs/dbraw/zinc/14/17/78/211141778.db2.gz WQCUAHWBMUUVPU-HXUWFJFHSA-N 1 0 333.435 3.552 50 0 EHAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009418711 211080850 /nfs/dbraw/zinc/08/08/50/211080850.db2.gz BFTBBZBJCMYDLO-QGZVFWFLSA-N 1 0 342.439 3.635 50 0 EHAARO CCOc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cc1F ZINC000095352137 218286044 /nfs/dbraw/zinc/28/60/44/218286044.db2.gz HYVWXDKWZBDECQ-OAHLLOKOSA-N 1 0 336.451 3.668 50 0 EHAARO Cc1cc(C)c2c(ncnc2NCC[C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000095355615 218289876 /nfs/dbraw/zinc/28/98/76/218289876.db2.gz UQHIUKOXBMXYLZ-MRXNPFEDSA-N 1 0 327.476 3.707 50 0 EHAARO CCCOC[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000095361508 218294077 /nfs/dbraw/zinc/29/40/77/218294077.db2.gz ASPSWRZFMQEILB-IBGZPJMESA-N 1 0 344.499 3.561 50 0 EHAARO Oc1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c1 ZINC000095374822 218307612 /nfs/dbraw/zinc/30/76/12/218307612.db2.gz SVYPDKRIGLYUBN-AZUAARDMSA-N 1 0 340.442 3.628 50 0 EHAARO CCOc1ccc(Cl)cc1CN(C)C(=O)[C@H]1CCCCC[N@@H+]1C ZINC000095382474 218314882 /nfs/dbraw/zinc/31/48/82/218314882.db2.gz HQDAQUWIFUAOCR-MRXNPFEDSA-N 1 0 338.879 3.572 50 0 EHAARO O=C(Nc1ccc(C[NH+]2CCSCC2)cc1)c1ccncc1Cl ZINC000095405206 218340266 /nfs/dbraw/zinc/34/02/66/218340266.db2.gz RMDSPNGHGQFSPK-UHFFFAOYSA-N 1 0 347.871 3.536 50 0 EHAARO c1ccc(-c2nnc3n2CCN(c2cc[nH+]c4ccccc42)C3)cc1 ZINC000095404378 218339504 /nfs/dbraw/zinc/33/95/04/218339504.db2.gz LWTIXHBMMVBFOU-UHFFFAOYSA-N 1 0 327.391 3.514 50 0 EHAARO Cc1cc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c(C)s1 ZINC000095419661 218359683 /nfs/dbraw/zinc/35/96/83/218359683.db2.gz IIMDDRFKLWLIJU-CYBMUJFWSA-N 1 0 332.469 3.913 50 0 EHAARO C[NH+](C)CCN(Cc1ccncc1)C(=O)c1ccc2sccc2c1 ZINC000095415180 218353160 /nfs/dbraw/zinc/35/31/60/218353160.db2.gz NNLBVWXPWKPISH-UHFFFAOYSA-N 1 0 339.464 3.500 50 0 EHAARO COc1cc([C@H](C)[NH2+][C@@H]2CCc3ccc(C)cc32)ccc1OCCO ZINC000095420773 218361374 /nfs/dbraw/zinc/36/13/74/218361374.db2.gz DUEFZCIFQLOCAY-HNAYVOBHSA-N 1 0 341.451 3.713 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(Br)nc1)c1ccc(F)c(F)c1 ZINC000095443043 218387438 /nfs/dbraw/zinc/38/74/38/218387438.db2.gz QENXSKRRBIQKRW-SECBINFHSA-N 1 0 327.172 3.973 50 0 EHAARO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1 ZINC000096478520 218855202 /nfs/dbraw/zinc/85/52/02/218855202.db2.gz VAMJGZVKODYWBY-ZNMIVQPWSA-N 1 0 329.488 3.758 50 0 EHAARO COc1cc(OC)c(/C=C\c2c3ccccc3cc[n+]2C)c(OC)c1 ZINC000005351692 210447646 /nfs/dbraw/zinc/44/76/46/210447646.db2.gz CIAUCZVNWTYDQR-KTKRTIGZSA-N 1 0 336.411 3.861 50 0 EHAARO C[C@@H]1C[C@@H](OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000005073899 210385157 /nfs/dbraw/zinc/38/51/57/210385157.db2.gz QUUUPSHLTILKRI-NSISKUIASA-N 1 0 331.500 3.637 50 0 EHAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000097159707 218977066 /nfs/dbraw/zinc/97/70/66/218977066.db2.gz WNSPVAWAFUQTQP-JOCHJYFZSA-N 1 0 349.478 3.566 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2c1C ZINC000007007386 208571107 /nfs/dbraw/zinc/57/11/07/208571107.db2.gz WYXCAWCJFZAPBO-UHFFFAOYSA-N 1 0 327.472 3.781 50 0 EHAARO C[C@@H](Nc1cccc(NC(=O)c2ccoc2)c1)C1CC[NH+](C)CC1 ZINC000097232118 219000022 /nfs/dbraw/zinc/00/00/22/219000022.db2.gz DWSYMKWETGLLMY-CQSZACIVSA-N 1 0 327.428 3.674 50 0 EHAARO CSc1ccccc1-c1cccc(C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000426575025 257962481 /nfs/dbraw/zinc/96/24/81/257962481.db2.gz OHMCAOVGBKKKLO-QGZVFWFLSA-N 1 0 340.492 3.947 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(OC4CCCC4)cc3)[C@H]1C[C@@H](O)CC2 ZINC000299766225 258081058 /nfs/dbraw/zinc/08/10/58/258081058.db2.gz DFTFYOZVWXFPNE-DZFGPLHGSA-N 1 0 345.483 3.512 50 0 EHAARO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3ccco3)cc2C1 ZINC000189576996 526429469 /nfs/dbraw/zinc/42/94/69/526429469.db2.gz DQOUYFIUNGQDSZ-UHFFFAOYSA-N 1 0 328.412 3.820 50 0 EHAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)[C@H](C)n3cccn3)nc(=O)c2c1C ZINC000242140835 526896634 /nfs/dbraw/zinc/89/66/34/526896634.db2.gz WPQMDUBVPIBMCH-SRVKXCTJSA-N 1 0 345.472 3.511 50 0 EHAARO CCCc1nc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)cs1 ZINC000215205248 535481749 /nfs/dbraw/zinc/48/17/49/535481749.db2.gz XCGBUAIPMTUGPK-UHFFFAOYSA-N 1 0 349.525 3.552 50 0 EHAARO C[N@@H+]1C[C@@H](CNC(=O)Nc2ccc(Cl)cc2)[C@H](c2cccs2)C1 ZINC000230134465 536485182 /nfs/dbraw/zinc/48/51/82/536485182.db2.gz MDTDDGVQXYLCJR-IUODEOHRSA-N 1 0 349.887 3.868 50 0 EHAARO Cc1ncc(C[N@H+](C)C[C@@H](O)c2cccc(C(F)(F)F)c2)s1 ZINC000051408319 564033172 /nfs/dbraw/zinc/03/31/72/564033172.db2.gz KPFGGSRDWWZYMH-CQSZACIVSA-N 1 0 330.375 3.636 50 0 EHAARO COc1ccc(CC[N@H+](C)[C@@H](C)Cc2ccc(F)cc2)cc1OC ZINC000000212181 563261234 /nfs/dbraw/zinc/26/12/34/563261234.db2.gz CQWXATHCZOZKTC-HNNXBMFYSA-N 1 0 331.431 3.948 50 0 EHAARO COc1ccccc1N1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 ZINC000000214064 563261560 /nfs/dbraw/zinc/26/15/60/563261560.db2.gz RBMRYLVZIIYZOZ-MRXNPFEDSA-N 1 0 328.431 3.588 50 0 EHAARO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000004981268 563516968 /nfs/dbraw/zinc/51/69/68/563516968.db2.gz OJZWUNOAAUOPSP-JOCHJYFZSA-N 1 0 334.463 3.569 50 0 EHAARO CN1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccccc2)N3)C1 ZINC000005151288 563521247 /nfs/dbraw/zinc/52/12/47/563521247.db2.gz LDTFDSOEKZQFEV-ZPIQOJFGSA-N 1 0 325.437 3.506 50 0 EHAARO CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006159425 563559933 /nfs/dbraw/zinc/55/99/33/563559933.db2.gz OLJOVCPMOGVJLO-FQEVSTJZSA-N 1 0 339.479 3.782 50 0 EHAARO Cc1cccc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000006742015 563584316 /nfs/dbraw/zinc/58/43/16/563584316.db2.gz KELJTFPSTMIYNT-UHFFFAOYSA-N 1 0 338.495 3.722 50 0 EHAARO C[NH+](C)CCCNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000008373870 563627917 /nfs/dbraw/zinc/62/79/17/563627917.db2.gz QKWJWSYVYALWGL-UHFFFAOYSA-N 1 0 332.875 3.960 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000012974135 563679826 /nfs/dbraw/zinc/67/98/26/563679826.db2.gz HOKOJFSFDJXXDC-UHFFFAOYSA-N 1 0 345.446 3.629 50 0 EHAARO CC(C)(C)[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000032738469 563723263 /nfs/dbraw/zinc/72/32/63/563723263.db2.gz HPYAPICZFPKOQC-GOSISDBHSA-N 1 0 330.859 3.934 50 0 EHAARO C[NH+](C)C1(CNC(=O)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000014196769 563749298 /nfs/dbraw/zinc/74/92/98/563749298.db2.gz SMXCKIFYXXJWQG-UHFFFAOYSA-N 1 0 328.378 3.700 50 0 EHAARO COc1ccc(CN2CC[C@H]([NH2+]C3CCCCCC3)CCC2=O)cc1 ZINC000014963203 563768716 /nfs/dbraw/zinc/76/87/16/563768716.db2.gz GJGRLSXSKIKOOY-LJQANCHMSA-N 1 0 344.499 3.889 50 0 EHAARO COC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccc(Cl)c2)C1 ZINC000014975912 563769619 /nfs/dbraw/zinc/76/96/19/563769619.db2.gz XADNDNHPSSWZDH-AWEZNQCLSA-N 1 0 333.863 3.599 50 0 EHAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2cc(F)cc3c(C)c(C)[nH]c32)n1 ZINC000015069671 563775620 /nfs/dbraw/zinc/77/56/20/563775620.db2.gz WGCBFGZCFPKYLE-GFCCVEGCSA-N 1 0 328.435 3.915 50 0 EHAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cc(F)cc3c(C)c(C)[nH]c32)n1 ZINC000015069669 563775670 /nfs/dbraw/zinc/77/56/70/563775670.db2.gz WGCBFGZCFPKYLE-LBPRGKRZSA-N 1 0 328.435 3.915 50 0 EHAARO Cc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000016342703 563808905 /nfs/dbraw/zinc/80/89/05/563808905.db2.gz SVYSFDMURCXIKK-OAQYLSRUSA-N 1 0 336.479 3.963 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000016603234 563816352 /nfs/dbraw/zinc/81/63/52/563816352.db2.gz RNFLKDBWQUBGPC-UHFFFAOYSA-N 1 0 334.872 3.796 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)COc2ccccc2C)cc1 ZINC000016779989 563823308 /nfs/dbraw/zinc/82/33/08/563823308.db2.gz ODSZFABEUOYTJJ-UHFFFAOYSA-N 1 0 340.467 3.532 50 0 EHAARO CCn1c2ccccc2nc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072015445 563860456 /nfs/dbraw/zinc/86/04/56/563860456.db2.gz PHLKEVFDWYJFOJ-LJQANCHMSA-N 1 0 348.450 3.659 50 0 EHAARO O=C(NCCc1ccccc1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000005872178 563865583 /nfs/dbraw/zinc/86/55/83/563865583.db2.gz AXIWPYYJEBEDGX-UHFFFAOYSA-N 1 0 328.500 3.638 50 0 EHAARO O=c1cc(C[N@H+](Cc2ccccc2)C2CC2)nc2ccc(Cl)cn12 ZINC000025220643 563882315 /nfs/dbraw/zinc/88/23/15/563882315.db2.gz DMBJIWQXNOIBRE-UHFFFAOYSA-N 1 0 339.826 3.513 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1F)c1ccsc1 ZINC000025331234 563883646 /nfs/dbraw/zinc/88/36/46/563883646.db2.gz AXTJWNSAYQCXQE-CQSZACIVSA-N 1 0 326.824 3.573 50 0 EHAARO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1csc2ccccc21 ZINC000072268279 563895310 /nfs/dbraw/zinc/89/53/10/563895310.db2.gz QPKKGBTZRXOTNL-ZIAGYGMSSA-N 1 0 331.485 3.555 50 0 EHAARO O=C(Nc1cccc2cccnc21)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043529558 563901404 /nfs/dbraw/zinc/90/14/04/563901404.db2.gz NXCOJCZRTMSUGN-SFHVURJKSA-N 1 0 346.434 3.631 50 0 EHAARO O=C(Cc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000028288147 563902022 /nfs/dbraw/zinc/90/20/22/563902022.db2.gz OOQNEOVFECYQHG-QGZVFWFLSA-N 1 0 328.481 3.634 50 0 EHAARO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2)c2cccs2)CC1 ZINC000028291355 563902208 /nfs/dbraw/zinc/90/22/08/563902208.db2.gz BIHWQJANSUPPMQ-QGZVFWFLSA-N 1 0 328.481 3.951 50 0 EHAARO CCOc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000028293112 563902252 /nfs/dbraw/zinc/90/22/52/563902252.db2.gz RXNWUVZWNJGULK-HXUWFJFHSA-N 1 0 338.451 3.652 50 0 EHAARO CC[C@H]([NH2+][C@@H]1CCSc2c(F)cccc21)C(=O)Nc1cc(C)on1 ZINC000030504770 563909846 /nfs/dbraw/zinc/90/98/46/563909846.db2.gz WIZSOVOWABQGIY-UONOGXRCSA-N 1 0 349.431 3.666 50 0 EHAARO Cc1ccc(C(C)C)c(COC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000022130503 563918578 /nfs/dbraw/zinc/91/85/78/563918578.db2.gz AXXJCUIXRRRGQT-WSTZPKSXSA-N 1 0 333.516 3.974 50 0 EHAARO Brc1cc(Cc2ccccc2)ccc1O[C@H]1CC[NH2+]C1 ZINC000042774431 563924936 /nfs/dbraw/zinc/92/49/36/563924936.db2.gz FUPZSTOKSFNPBM-HNNXBMFYSA-N 1 0 332.241 3.781 50 0 EHAARO O=C(OCc1ccccc1)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042773680 563924940 /nfs/dbraw/zinc/92/49/40/563924940.db2.gz LUJWZYTYTQZDQE-QGZVFWFLSA-N 1 0 339.435 3.812 50 0 EHAARO C[NH+](C)Cc1ccc(C(=O)Nc2cccc(Oc3cccnn3)c2)cc1 ZINC000096449710 563953671 /nfs/dbraw/zinc/95/36/71/563953671.db2.gz CRPOPJMWABOXRM-UHFFFAOYSA-N 1 0 348.406 3.583 50 0 EHAARO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2ccccn2)c1 ZINC000126131583 563955268 /nfs/dbraw/zinc/95/52/68/563955268.db2.gz URWAUIFCBZYRRR-UHFFFAOYSA-N 1 0 338.455 3.508 50 0 EHAARO CCc1ccc2ncn(CC[C@@H]3CCCC[N@@H+]3C(C)C)c(=O)c2c1 ZINC000063856332 563956265 /nfs/dbraw/zinc/95/62/65/563956265.db2.gz AIVFBRARGCQKIQ-KRWDZBQOSA-N 1 0 327.472 3.612 50 0 EHAARO CCC[C@H]1C=CC[N@@H+]1Cc1ccc(C(=O)Nc2ccc(C)nn2)cc1 ZINC000065396310 563959754 /nfs/dbraw/zinc/95/97/54/563959754.db2.gz WQYLGMUUUYYYKS-SFHVURJKSA-N 1 0 336.439 3.578 50 0 EHAARO c1ccc(CC[N@@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000065406351 563960215 /nfs/dbraw/zinc/96/02/15/563960215.db2.gz CPROQOGLMXKKSQ-SFHVURJKSA-N 1 0 334.423 3.554 50 0 EHAARO CC(=O)N1CCCC[C@@H]1C1=CCC[N@H+](CCCc2ccccc2)C1 ZINC000065492852 563961556 /nfs/dbraw/zinc/96/15/56/563961556.db2.gz QIFDKOFUEIJTHG-OAQYLSRUSA-N 1 0 326.484 3.652 50 0 EHAARO CC[N@H+](Cc1ccncc1)Cc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000065499474 563961719 /nfs/dbraw/zinc/96/17/19/563961719.db2.gz WZIAWZMBSULGGW-UHFFFAOYSA-N 1 0 346.434 3.751 50 0 EHAARO Cc1c(F)cccc1NC(=O)C[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC000065528154 563961907 /nfs/dbraw/zinc/96/19/07/563961907.db2.gz IIYLWLAFMRRKQO-UHFFFAOYSA-N 1 0 332.394 3.823 50 0 EHAARO CC[C@H](C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C)[NH+](C)C ZINC000156968161 563962194 /nfs/dbraw/zinc/96/21/94/563962194.db2.gz FEEFADCNUTXVSB-GOSISDBHSA-N 1 0 339.439 3.526 50 0 EHAARO Cc1ccccc1C(=O)N(C)[C@@H](C)C1=CCC[N@H+](Cc2ccccn2)C1 ZINC000067724621 563962620 /nfs/dbraw/zinc/96/26/20/563962620.db2.gz SQYHLWOGVVKEBE-SFHVURJKSA-N 1 0 349.478 3.683 50 0 EHAARO CC(C)[C@@H](C)[N@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000097010731 563966631 /nfs/dbraw/zinc/96/66/31/563966631.db2.gz KGTWQOPKPKFAHD-CQSZACIVSA-N 1 0 331.485 3.801 50 0 EHAARO c1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)OCCO5)C3)nc2c1 ZINC000077301174 563968855 /nfs/dbraw/zinc/96/88/55/563968855.db2.gz HZBYNJYASGVENK-MRXNPFEDSA-N 1 0 349.434 3.714 50 0 EHAARO COCCC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1-n1cccn1 ZINC000077323234 563968980 /nfs/dbraw/zinc/96/89/80/563968980.db2.gz UKIQOHQHEZDLAD-GOSISDBHSA-N 1 0 331.435 3.793 50 0 EHAARO CN(Cc1csc(-c2cccs2)n1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000082097708 563972179 /nfs/dbraw/zinc/97/21/79/563972179.db2.gz UZXOFAPZEJQPJU-HNNXBMFYSA-N 1 0 343.477 3.530 50 0 EHAARO CC(C)[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000095524426 563977474 /nfs/dbraw/zinc/97/74/74/563977474.db2.gz VLUBMVMDPSGIKN-XJKSGUPXSA-N 1 0 343.298 3.581 50 0 EHAARO c1cc(-c2nc([C@H]3CCOC3)no2)ccc1C[NH+]1CCCCCC1 ZINC000096130551 563979346 /nfs/dbraw/zinc/97/93/46/563979346.db2.gz KNYVXWRXTKHEDD-KRWDZBQOSA-N 1 0 327.428 3.617 50 0 EHAARO COc1ccc(NC(=O)NC[C@H](c2cccc(C)c2)[NH+](C)C)c(C)c1 ZINC000096166028 563979977 /nfs/dbraw/zinc/97/99/77/563979977.db2.gz GBPSMEYDLWIZBJ-LJQANCHMSA-N 1 0 341.455 3.736 50 0 EHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CC2CCCC2)cc1 ZINC000096318786 563980744 /nfs/dbraw/zinc/98/07/44/563980744.db2.gz PMNAGWYVZZJRRB-UHFFFAOYSA-N 1 0 346.471 3.704 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000071862824 563983330 /nfs/dbraw/zinc/98/33/30/563983330.db2.gz BXAPMMBLTSEBIK-LLVKDONJSA-N 1 0 336.233 3.874 50 0 EHAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 ZINC000178581545 563987790 /nfs/dbraw/zinc/98/77/90/563987790.db2.gz NFLVAJDJTIQRPE-LBPRGKRZSA-N 1 0 332.806 3.567 50 0 EHAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000000299637 563990398 /nfs/dbraw/zinc/99/03/98/563990398.db2.gz BDPSTQUKWPOQHM-UHFFFAOYSA-N 1 0 340.442 3.696 50 0 EHAARO Cc1cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C(C)C ZINC000000350508 563991566 /nfs/dbraw/zinc/99/15/66/563991566.db2.gz NQSMIJDNDFNKMS-FQEVSTJZSA-N 1 0 339.479 3.916 50 0 EHAARO Cc1ccc(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000000352531 563991587 /nfs/dbraw/zinc/99/15/87/563991587.db2.gz IHIGKZPAVJSBCG-NRFANRHFSA-N 1 0 339.434 3.784 50 0 EHAARO Cc1ccc(NC(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)cc1C ZINC000225576734 563995777 /nfs/dbraw/zinc/99/57/77/563995777.db2.gz DMLQSSOPLWTYSE-GOSISDBHSA-N 1 0 347.528 3.642 50 0 EHAARO Cc1ccc([C@](C)(O)C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)o1 ZINC000225578200 563996018 /nfs/dbraw/zinc/99/60/18/563996018.db2.gz AAZMWAAIUSVAKA-WOJBJXKFSA-N 1 0 340.398 3.709 50 0 EHAARO Cc1nccn1[C@H](C)CC(=O)N(Cc1cccnc1)C1CCCCC1 ZINC000426503147 563996192 /nfs/dbraw/zinc/99/61/92/563996192.db2.gz JLMICMYYZQTJDS-MRXNPFEDSA-N 1 0 340.471 3.899 50 0 EHAARO c1nn(-c2ccccc2)cc1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000015184004 564024023 /nfs/dbraw/zinc/02/40/23/564024023.db2.gz LCPNHQSFUSGCEY-UHFFFAOYSA-N 1 0 346.478 3.627 50 0 EHAARO COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2OC)cc2c1OCO2 ZINC000015184968 564024056 /nfs/dbraw/zinc/02/40/56/564024056.db2.gz RMZHWTNFQMRIFK-CYBMUJFWSA-N 1 0 329.396 3.592 50 0 EHAARO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1cccs1 ZINC000105699619 564025297 /nfs/dbraw/zinc/02/52/97/564025297.db2.gz XXHWVLCNDKJLFQ-VQIMIIECSA-N 1 0 345.508 3.926 50 0 EHAARO CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000005753025 564028153 /nfs/dbraw/zinc/02/81/53/564028153.db2.gz IHMFVSOOEISWDE-UHFFFAOYSA-N 1 0 336.414 3.578 50 0 EHAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000117531526 564032730 /nfs/dbraw/zinc/03/27/30/564032730.db2.gz JLPPICQAWSOLCD-ZWKOTPCHSA-N 1 0 329.827 3.729 50 0 EHAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000000819256 564035232 /nfs/dbraw/zinc/03/52/32/564035232.db2.gz ZESVCDGANBTCCG-OAHLLOKOSA-N 1 0 334.891 3.811 50 0 EHAARO O=C(CSc1ccncc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027143450 564041180 /nfs/dbraw/zinc/04/11/80/564041180.db2.gz ZZRPZAOTIYDXHT-UHFFFAOYSA-N 1 0 341.480 3.798 50 0 EHAARO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000225498861 564047295 /nfs/dbraw/zinc/04/72/95/564047295.db2.gz IQXGCLGFGGGVNA-UYAOXDASSA-N 1 0 329.415 3.540 50 0 EHAARO O=C(CC[N@@H+]1CCCCC[C@@H]1c1ccco1)NCc1cccs1 ZINC000244795856 564052263 /nfs/dbraw/zinc/05/22/63/564052263.db2.gz RORRMDCYGWMBQX-MRXNPFEDSA-N 1 0 332.469 3.965 50 0 EHAARO C[N@H+](CC(=O)NCc1ccccc1Cl)[C@@H]1CCCc2ccccc21 ZINC000018935230 564052669 /nfs/dbraw/zinc/05/26/69/564052669.db2.gz WDBJQQFFIDZSKF-LJQANCHMSA-N 1 0 342.870 3.966 50 0 EHAARO O=C(CCC(F)(F)F)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000252489291 564053471 /nfs/dbraw/zinc/05/34/71/564053471.db2.gz JNQYCPGWCRHLLY-HNNXBMFYSA-N 1 0 346.368 3.811 50 0 EHAARO Cc1cc(N2CCCN(C(=O)N[C@H](C)C3CCCCC3)CC2)cc[nH+]1 ZINC000534648172 564061505 /nfs/dbraw/zinc/06/15/05/564061505.db2.gz BGRLBFSLYMDGBH-QGZVFWFLSA-N 1 0 344.503 3.581 50 0 EHAARO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2SC2CCCC2)C1 ZINC000083877788 564064152 /nfs/dbraw/zinc/06/41/52/564064152.db2.gz GLDOMKPTUDCZSS-AWEZNQCLSA-N 1 0 333.501 3.937 50 0 EHAARO COC(=O)c1cccc(N)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000001395316 564064877 /nfs/dbraw/zinc/06/48/77/564064877.db2.gz YWPACUKJYKRIDX-UHFFFAOYSA-N 1 0 338.451 3.510 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000084736289 564069930 /nfs/dbraw/zinc/06/99/30/564069930.db2.gz QCRHQKCDGVAUBA-UGSOOPFHSA-N 1 0 344.430 3.699 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@@H](CC)C1 ZINC000084736295 564069948 /nfs/dbraw/zinc/06/99/48/564069948.db2.gz LMHYLWHTRGVYSU-WMLDXEAASA-N 1 0 344.455 3.568 50 0 EHAARO Cc1noc(C)c1C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000063549992 564072506 /nfs/dbraw/zinc/07/25/06/564072506.db2.gz BMXMDWDHUIPDQR-UHFFFAOYSA-N 1 0 336.395 3.728 50 0 EHAARO COc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1Cl ZINC000006145896 564076785 /nfs/dbraw/zinc/07/67/85/564076785.db2.gz YDCHJIJMEQUZCC-UHFFFAOYSA-N 1 0 335.831 3.698 50 0 EHAARO Brc1ccc([C@H](Cc2ccccn2)[NH2+][C@H]2CCOC2)cc1 ZINC000346162953 564081661 /nfs/dbraw/zinc/08/16/61/564081661.db2.gz CNTBJFBSUGDZPU-IRXDYDNUSA-N 1 0 347.256 3.506 50 0 EHAARO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000090667442 564085854 /nfs/dbraw/zinc/08/58/54/564085854.db2.gz RAXBHTJREDDUTB-CRAIPNDOSA-N 1 0 331.504 3.543 50 0 EHAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3cc(C)ccc3n2)CC(C)C)cc1 ZINC000064590880 564092577 /nfs/dbraw/zinc/09/25/77/564092577.db2.gz POHFZSUHASBTDE-UHFFFAOYSA-N 1 0 349.478 3.970 50 0 EHAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COCc2ccco2)s1 ZINC000036100945 564096128 /nfs/dbraw/zinc/09/61/28/564096128.db2.gz AHGRWBOZFIKJPG-MRXNPFEDSA-N 1 0 337.485 3.685 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@H+]2CC2CCN(C(=O)CC(C)C)CC2)n1 ZINC000370196146 564096175 /nfs/dbraw/zinc/09/61/75/564096175.db2.gz XJFJWQYTLRKXKZ-FQEVSTJZSA-N 1 0 343.515 3.812 50 0 EHAARO C[C@H](NC(=O)C1=CC[N@H+](Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000064818078 564096489 /nfs/dbraw/zinc/09/64/89/564096489.db2.gz DMWCENHDWZMCKM-INIZCTEOSA-N 1 0 338.426 3.835 50 0 EHAARO CCCCC[NH2+]C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000006941293 564101978 /nfs/dbraw/zinc/10/19/78/564101978.db2.gz NBWIAOABMNNHAN-HXUWFJFHSA-N 1 0 327.468 3.933 50 0 EHAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)cn1 ZINC000065549649 564107400 /nfs/dbraw/zinc/10/74/00/564107400.db2.gz NNBCAAACMSAIOX-UHFFFAOYSA-N 1 0 334.379 3.516 50 0 EHAARO Clc1nc2ccccc2cc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000065575514 564107661 /nfs/dbraw/zinc/10/76/61/564107661.db2.gz FWQLCQXAMCYCFG-INIZCTEOSA-N 1 0 326.831 3.922 50 0 EHAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1ccc(Cl)s1 ZINC000065675167 564108868 /nfs/dbraw/zinc/10/88/68/564108868.db2.gz CHNZCKPBXMHSCD-OLZOCXBDSA-N 1 0 328.909 3.571 50 0 EHAARO COc1cc(F)cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000170592494 564108913 /nfs/dbraw/zinc/10/89/13/564108913.db2.gz AJUZAFKKMUURQP-LIRRHRJNSA-N 1 0 329.419 3.552 50 0 EHAARO CC(=O)O[C@H](Cn1c2ccccc2c2ccccc21)C[NH+]1CCCC1 ZINC000016839772 564113751 /nfs/dbraw/zinc/11/37/51/564113751.db2.gz GFUHAUDJRCMVMN-KRWDZBQOSA-N 1 0 336.435 3.822 50 0 EHAARO C[C@@H]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000089905716 564115112 /nfs/dbraw/zinc/11/51/12/564115112.db2.gz FGVKKZBNYATEJT-GOSISDBHSA-N 1 0 336.479 3.819 50 0 EHAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000089949020 564115817 /nfs/dbraw/zinc/11/58/17/564115817.db2.gz VVNGPNRCPFAMIP-GHTZIAJQSA-N 1 0 344.499 3.745 50 0 EHAARO CC[N@@H+](Cc1csc(C)n1)CC1CCN(c2ccccn2)CC1 ZINC000076108959 564115887 /nfs/dbraw/zinc/11/58/87/564115887.db2.gz GHFCDOMKZVXIHB-UHFFFAOYSA-N 1 0 330.501 3.585 50 0 EHAARO CCCn1nc(C)c(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1C ZINC000089960637 564115928 /nfs/dbraw/zinc/11/59/28/564115928.db2.gz VJTWERRYSIHEBM-UHFFFAOYSA-N 1 0 349.862 3.624 50 0 EHAARO O=C1CCCN1c1cccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000076396769 564116555 /nfs/dbraw/zinc/11/65/55/564116555.db2.gz JTWIXVLLMWBUBN-UHFFFAOYSA-N 1 0 334.341 3.521 50 0 EHAARO Clc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000076395572 564116580 /nfs/dbraw/zinc/11/65/80/564116580.db2.gz IWNODKUOITZRSO-OAHLLOKOSA-N 1 0 326.831 3.762 50 0 EHAARO CCCOc1ccc(OCCOCC[NH2+]Cc2ccccc2)cc1 ZINC000002823488 564116977 /nfs/dbraw/zinc/11/69/77/564116977.db2.gz XNRPKLWHKPOJCP-UHFFFAOYSA-N 1 0 329.440 3.661 50 0 EHAARO COc1cc(C)ccc1OCCOCC[N@H+](C)Cc1ccccc1 ZINC000002823041 564116983 /nfs/dbraw/zinc/11/69/83/564116983.db2.gz ZIDVFGTVNOAXTE-UHFFFAOYSA-N 1 0 329.440 3.531 50 0 EHAARO CC(C)[C@H](C[NH2+]Cc1ccn(Cc2ccccc2)c1)c1ccnn1C ZINC000252500643 564119821 /nfs/dbraw/zinc/11/98/21/564119821.db2.gz SZQUBLVOGOEOHT-FQEVSTJZSA-N 1 0 336.483 3.799 50 0 EHAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc[nH]c2C2CC2)[C@@H]1c1cccs1 ZINC000252505093 564119928 /nfs/dbraw/zinc/11/99/28/564119928.db2.gz VOHDCHOXDXSJAC-KBXCAEBGSA-N 1 0 343.496 3.767 50 0 EHAARO C[N@H+](C[C@@H](O)CCc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000252512021 564120133 /nfs/dbraw/zinc/12/01/33/564120133.db2.gz LNVKTJAPYHTFRQ-VXKWHMMOSA-N 1 0 338.495 3.581 50 0 EHAARO Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000170650283 564120315 /nfs/dbraw/zinc/12/03/15/564120315.db2.gz QIMIVHJFEUPXIA-KSZLIROESA-N 1 0 343.515 3.760 50 0 EHAARO Fc1ccccc1NC(=S)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000007678391 564121806 /nfs/dbraw/zinc/12/18/06/564121806.db2.gz NDVGEINTIHKSFL-INIZCTEOSA-N 1 0 347.459 3.932 50 0 EHAARO O[C@@H](CN[C@@H](c1cccs1)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000195049614 564122691 /nfs/dbraw/zinc/12/26/91/564122691.db2.gz SYBFBLHORBUWHD-ZANVPECISA-N 1 0 339.873 3.599 50 0 EHAARO CO[C@@H](C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000195532178 564123610 /nfs/dbraw/zinc/12/36/10/564123610.db2.gz LBAGFOMMFLBGJA-IPELMVKDSA-N 1 0 345.487 3.873 50 0 EHAARO COC1(C[NH2+][C@@H](c2cccc(Cl)c2F)C2CC2)CCOCC1 ZINC000195557734 564123768 /nfs/dbraw/zinc/12/37/68/564123768.db2.gz HEJZCUQMFGAKCN-MRXNPFEDSA-N 1 0 327.827 3.715 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc3c(c2)CCC3)cc1 ZINC000007828578 564124052 /nfs/dbraw/zinc/12/40/52/564124052.db2.gz JYUFKRKLXABCAH-UHFFFAOYSA-N 1 0 336.479 3.947 50 0 EHAARO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000163891804 564129555 /nfs/dbraw/zinc/12/95/55/564129555.db2.gz SNNCPCFPJNCHFU-UHFFFAOYSA-N 1 0 330.472 3.692 50 0 EHAARO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)[nH]1 ZINC000253425547 564131134 /nfs/dbraw/zinc/13/11/34/564131134.db2.gz DEPOCUPQELGCQF-IBGZPJMESA-N 1 0 339.483 3.910 50 0 EHAARO CCOc1ccc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cn1 ZINC000584894828 564131596 /nfs/dbraw/zinc/13/15/96/564131596.db2.gz PJBHKKHYUCPJOR-UHFFFAOYSA-N 1 0 346.858 3.617 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccsc1 ZINC000013011156 564135915 /nfs/dbraw/zinc/13/59/15/564135915.db2.gz SEAYEHOAHXEIHZ-AWEZNQCLSA-N 1 0 342.386 3.800 50 0 EHAARO CS[C@@H]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000078966729 564137491 /nfs/dbraw/zinc/13/74/91/564137491.db2.gz GYJNVQBBOJWAGX-ZIAGYGMSSA-N 1 0 346.496 3.851 50 0 EHAARO O=C(Nc1cc(-c2ccccc2)ns1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000078974922 564137497 /nfs/dbraw/zinc/13/74/97/564137497.db2.gz TWRZXAVFFQRRCD-OAHLLOKOSA-N 1 0 342.468 3.512 50 0 EHAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000079061206 564137789 /nfs/dbraw/zinc/13/77/89/564137789.db2.gz URGOUURBEOZZQX-QGZVFWFLSA-N 1 0 347.553 3.934 50 0 EHAARO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000079105182 564137910 /nfs/dbraw/zinc/13/79/10/564137910.db2.gz VIWYWAIBJKMRSB-QWHCGFSZSA-N 1 0 349.377 3.756 50 0 EHAARO CC1(C)C[C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)C(C)(C)O1 ZINC000095946103 564142205 /nfs/dbraw/zinc/14/22/05/564142205.db2.gz UZUMEBXPMHMQSO-LBPRGKRZSA-N 1 0 345.270 3.868 50 0 EHAARO c1ccc2c(c1)cccc2C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000095953925 564142443 /nfs/dbraw/zinc/14/24/43/564142443.db2.gz KTIISHQZYSWHHS-UHFFFAOYSA-N 1 0 332.451 3.757 50 0 EHAARO c1cn(C2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)cn1 ZINC000095955985 564142528 /nfs/dbraw/zinc/14/25/28/564142528.db2.gz GHFYUAZHAPZXBF-UHFFFAOYSA-N 1 0 348.450 3.694 50 0 EHAARO CC1(C)Cc2occc2[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000095967251 564143025 /nfs/dbraw/zinc/14/30/25/564143025.db2.gz DVWLTTWDCHLGBT-INIZCTEOSA-N 1 0 342.439 3.781 50 0 EHAARO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cnc2ccsc2c1 ZINC000095969223 564143359 /nfs/dbraw/zinc/14/33/59/564143359.db2.gz SLDGSVWULGHTGN-OCCSQVGLSA-N 1 0 342.443 3.760 50 0 EHAARO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cnc2ccsc2c1 ZINC000095969222 564143367 /nfs/dbraw/zinc/14/33/67/564143367.db2.gz SLDGSVWULGHTGN-JSGCOSHPSA-N 1 0 342.443 3.760 50 0 EHAARO Cc1ccc([C@H](O)C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)cc1 ZINC000095987823 564143983 /nfs/dbraw/zinc/14/39/83/564143983.db2.gz QDNOXYSTUUWINT-VLCRHTCISA-N 1 0 338.495 3.529 50 0 EHAARO CC/C=C(/C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096413975 564147651 /nfs/dbraw/zinc/14/76/51/564147651.db2.gz QQVBDCJVUJECHN-SOFYXZRVSA-N 1 0 329.488 3.759 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C(C)C)c(C)c1 ZINC000096479059 564148544 /nfs/dbraw/zinc/14/85/44/564148544.db2.gz GPJVJFNJGFVUFF-SQGPQFPESA-N 1 0 332.488 3.671 50 0 EHAARO Cc1occc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000057586250 564155093 /nfs/dbraw/zinc/15/50/93/564155093.db2.gz ZXSNPQNOTHYVSU-HOTGVXAUSA-N 1 0 340.467 3.996 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000032401303 564161379 /nfs/dbraw/zinc/16/13/79/564161379.db2.gz HGDDRJWYBAKZMF-UHFFFAOYSA-N 1 0 346.833 3.657 50 0 EHAARO Cc1ccc([C@H](OC[C@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000008156708 564163241 /nfs/dbraw/zinc/16/32/41/564163241.db2.gz ZXXQEUVMQGBVGP-FGZHOGPDSA-N 1 0 339.479 3.948 50 0 EHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000008184967 564163388 /nfs/dbraw/zinc/16/33/88/564163388.db2.gz XJTCHXTWGFCNSO-OAHLLOKOSA-N 1 0 333.432 3.846 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCc1ccc(Cl)cc1 ZINC000008320374 564164325 /nfs/dbraw/zinc/16/43/25/564164325.db2.gz IVCLQBSYUKAWDM-OAHLLOKOSA-N 1 0 334.872 3.855 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1F ZINC000066970498 564164855 /nfs/dbraw/zinc/16/48/55/564164855.db2.gz BLNWLARMLAZKBF-OAHLLOKOSA-N 1 0 344.430 3.522 50 0 EHAARO COc1cc(OC)c2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008717260 564166693 /nfs/dbraw/zinc/16/66/93/564166693.db2.gz YZXNEKQFBJISDQ-GFCCVEGCSA-N 1 0 330.428 3.640 50 0 EHAARO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(C3CC3)on2)CC1 ZINC000172296039 564167544 /nfs/dbraw/zinc/16/75/44/564167544.db2.gz GBLJLXSGVZCWFG-AWEZNQCLSA-N 1 0 339.439 3.507 50 0 EHAARO Cc1ccc(C[NH+]2CCC(NC(=O)CCc3ccccc3)CC2)cc1 ZINC000040120481 564168184 /nfs/dbraw/zinc/16/81/84/564168184.db2.gz LAFUWLWGVPWDBV-UHFFFAOYSA-N 1 0 336.479 3.708 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H](C)c3cc4ccccc4o3)nc12 ZINC000069529108 564170218 /nfs/dbraw/zinc/17/02/18/564170218.db2.gz DWSRVJNVISBAFC-OAHLLOKOSA-N 1 0 347.418 3.942 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000069845343 564172454 /nfs/dbraw/zinc/17/24/54/564172454.db2.gz JXQBLDVQTDKJNI-JKSUJKDBSA-N 1 0 342.405 3.733 50 0 EHAARO CC[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000070928456 564174569 /nfs/dbraw/zinc/17/45/69/564174569.db2.gz RKBWZFSHNAPHAI-FQEVSTJZSA-N 1 0 337.467 3.608 50 0 EHAARO COCc1c2ccccc2oc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000042674422 564175176 /nfs/dbraw/zinc/17/51/76/564175176.db2.gz FEDHHEZLFUEFJI-UHFFFAOYSA-N 1 0 344.455 3.575 50 0 EHAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)C1 ZINC000178978630 1024200800 /nfs/dbraw/zinc/20/08/00/1024200800.db2.gz WLPRPYZTWFYQKA-SYTKJHMZSA-N 1 0 334.872 3.636 50 0 EHAARO CC1(CNC(=O)c2cc(-c3ccco3)nc3ccccc32)CC[NH2+]CC1 ZINC000183378648 1027678509 /nfs/dbraw/zinc/67/85/09/1027678509.db2.gz PTPSCDNRCNBMES-UHFFFAOYSA-N 1 0 349.434 3.614 50 0 EHAARO COc1cccc2c1CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)CC2 ZINC000194571677 1030901497 /nfs/dbraw/zinc/90/14/97/1030901497.db2.gz OBKJEHOWQMBFSH-UHFFFAOYSA-N 1 0 337.423 3.588 50 0 EHAARO O=C(C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1)N1CCCCCC1 ZINC000172285736 1034877372 /nfs/dbraw/zinc/87/73/72/1034877372.db2.gz JGRMOZSSPZNJMR-UHFFFAOYSA-N 1 0 340.511 3.790 50 0 EHAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000581807482 1035599985 /nfs/dbraw/zinc/59/99/85/1035599985.db2.gz HZGQHOCGWRIRHP-IBGZPJMESA-N 1 0 349.478 3.964 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000014903566 1040434838 /nfs/dbraw/zinc/43/48/38/1040434838.db2.gz SAMPQRGSUFBHED-QFQMRYFISA-N 1 0 328.481 3.961 50 0 EHAARO OCC1CC([NH2+][C@H](c2ccc(Cl)s2)c2ccc(F)cc2)C1 ZINC000888098120 1043248680 /nfs/dbraw/zinc/24/86/80/1043248680.db2.gz AOSRYTDPOAMMRD-MEKTXKAGSA-N 1 0 325.836 3.991 50 0 EHAARO Cc1cc(NC(=O)C[C@H]2CCCC[N@H+]2C)ccc1NC(=O)C(C)(C)C ZINC000827807196 1131406882 /nfs/dbraw/zinc/40/68/82/1131406882.db2.gz WYUWZQZBQDBGLU-MRXNPFEDSA-N 1 0 345.487 3.793 50 0 EHAARO COc1cccc([C@H]2CC[N@@H+]2CC2=Cc3cccc(OC)c3OC2)c1 ZINC000824774859 1131218023 /nfs/dbraw/zinc/21/80/23/1131218023.db2.gz GOTLCOPXAYSSHG-LJQANCHMSA-N 1 0 337.419 3.927 50 0 EHAARO C[C@H](Cc1cccs1)[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC000065403746 1132198202 /nfs/dbraw/zinc/19/82/02/1132198202.db2.gz SLLUZCKLSAEOFJ-OAHLLOKOSA-N 1 0 328.481 3.638 50 0 EHAARO COc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)CC2)c1 ZINC000581787956 1132356512 /nfs/dbraw/zinc/35/65/12/1132356512.db2.gz LKTMCYKRKLIFIO-SFHVURJKSA-N 1 0 344.499 3.669 50 0 EHAARO CNC(=O)c1cc[nH]c1[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000581800959 1132362359 /nfs/dbraw/zinc/36/23/59/1132362359.db2.gz QLMUJPOEQAYHIR-ZDUSSCGKSA-N 1 0 349.837 3.546 50 0 EHAARO COc1ccc(C[NH2+][C@@H]2CCCc3cnn(C(C)C)c32)c(C)c1OC ZINC000585083563 1136969870 /nfs/dbraw/zinc/96/98/70/1136969870.db2.gz GGANYBBGRSKOHB-QGZVFWFLSA-N 1 0 343.471 3.957 50 0 EHAARO FC(F)Cn1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 ZINC000585085732 1136982949 /nfs/dbraw/zinc/98/29/49/1136982949.db2.gz GTPDSGPQUHCSCX-CQSZACIVSA-N 1 0 346.381 3.669 50 0 EHAARO Cc1cc(-n2ccnc2)ccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000192148999 1137025844 /nfs/dbraw/zinc/02/58/44/1137025844.db2.gz FYLQYIIUZNJPAK-OAHLLOKOSA-N 1 0 335.407 3.760 50 0 EHAARO CSc1cccc(C[NH2+][C@H]2CCCN(Cc3cccc(O)c3)C2)c1 ZINC000952863846 1137483455 /nfs/dbraw/zinc/48/34/55/1137483455.db2.gz XAXDYOHBSUXXFA-SFHVURJKSA-N 1 0 342.508 3.868 50 0 EHAARO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3[nH]cc(C)c3c2)CC1 ZINC000952963079 1137483653 /nfs/dbraw/zinc/48/36/53/1137483653.db2.gz CRUBHRJVWBYIIE-UHFFFAOYSA-N 1 0 328.460 3.814 50 0 EHAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)C1CCN(c2ccccc2C)CC1 ZINC000952964102 1137483656 /nfs/dbraw/zinc/48/36/56/1137483656.db2.gz BCWYMSFPAFSDNQ-UHFFFAOYSA-N 1 0 340.515 3.868 50 0 EHAARO CN(C)c1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc(F)cc1 ZINC000952975973 1137484417 /nfs/dbraw/zinc/48/44/17/1137484417.db2.gz DJZUGWIUIBRAFK-UHFFFAOYSA-N 1 0 349.837 3.616 50 0 EHAARO C[C@H](c1ccncc1)N(C)Cc1cnc(NCc2ccccc2)nc1 ZINC000952979031 1137484801 /nfs/dbraw/zinc/48/48/01/1137484801.db2.gz WPHQSDCUXRMUFP-MRXNPFEDSA-N 1 0 333.439 3.677 50 0 EHAARO CCn1c(C[NH2+]CCn2c(C)nc3ccccc32)nc2ccccc21 ZINC000054041180 214212376 /nfs/dbraw/zinc/21/23/76/214212376.db2.gz PFLSNYDCNZGWDQ-UHFFFAOYSA-N 1 0 333.439 3.504 50 0 EHAARO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)NC2CCCCC2)cc1 ZINC000054426294 214237882 /nfs/dbraw/zinc/23/78/82/214237882.db2.gz CRBRIOLIVZFMGU-LJQANCHMSA-N 1 0 330.472 3.671 50 0 EHAARO CNc1ncccc1C[N@@H+]1CCC[C@H](COc2ccc(C)cc2)C1 ZINC000055182910 214284050 /nfs/dbraw/zinc/28/40/50/214284050.db2.gz BVGBZQJTEZBNNO-KRWDZBQOSA-N 1 0 325.456 3.723 50 0 EHAARO [NH3+]CCCCCNC(=O)C[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000055212160 214290189 /nfs/dbraw/zinc/29/01/89/214290189.db2.gz DJNYAJLCJXPTAU-IBGZPJMESA-N 1 0 328.431 3.593 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000055255260 214296640 /nfs/dbraw/zinc/29/66/40/214296640.db2.gz KLFVGVZUBHBAJW-HNNXBMFYSA-N 1 0 338.430 3.982 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)N1CCc2sccc2C1 ZINC000055903261 214347285 /nfs/dbraw/zinc/34/72/85/214347285.db2.gz RCKBDYPCNFDMTE-INIZCTEOSA-N 1 0 346.521 3.922 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2)N3)C1 ZINC000004556305 210220609 /nfs/dbraw/zinc/22/06/09/210220609.db2.gz RPLDBQYEBPYTEM-QWGSZXSUSA-N 1 0 339.464 3.896 50 0 EHAARO CC[C@H](Nc1nc(CC[NH3+])nc2sc(C)c(C)c21)c1cccnc1 ZINC000065381891 214881594 /nfs/dbraw/zinc/88/15/94/214881594.db2.gz IIMLUEPQXFAAQH-AWEZNQCLSA-N 1 0 341.484 3.768 50 0 EHAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000066971365 215100183 /nfs/dbraw/zinc/10/01/83/215100183.db2.gz IUBJDZIIYOZDHA-AWEZNQCLSA-N 1 0 336.439 3.773 50 0 EHAARO Cc1cccc(C)c1C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000067514634 215157599 /nfs/dbraw/zinc/15/75/99/215157599.db2.gz ZYXNZANMYVHLRT-OAQYLSRUSA-N 1 0 328.500 3.774 50 0 EHAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)c1 ZINC000067541466 215160187 /nfs/dbraw/zinc/16/01/87/215160187.db2.gz CKBODNPDQSLNPE-AWEZNQCLSA-N 1 0 332.831 3.742 50 0 EHAARO COc1cccc([C@@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C[C@H]2O)c1 ZINC000067641933 215171326 /nfs/dbraw/zinc/17/13/26/215171326.db2.gz DIIPJXNTKOCCOV-PZJWPPBQSA-N 1 0 336.435 3.527 50 0 EHAARO C[N@H+](Cc1cnc(-c2ccccn2)nc1)Cc1cccc2ncccc12 ZINC000067868893 215235774 /nfs/dbraw/zinc/23/57/74/215235774.db2.gz FAFNNQSPSWGKCV-UHFFFAOYSA-N 1 0 341.418 3.719 50 0 EHAARO O=c1[nH]c2cc3c(cc2cc1C[N@@H+]1CCC[C@@H]1c1ccccn1)CCC3 ZINC000067909053 215248116 /nfs/dbraw/zinc/24/81/16/215248116.db2.gz UDDBGQHMMPNLNB-OAQYLSRUSA-N 1 0 345.446 3.749 50 0 EHAARO CSc1ccc2cc(C[N@H+](C)[C@H](C)c3ccccn3)c(=O)[nH]c2c1 ZINC000067919923 215249269 /nfs/dbraw/zinc/24/92/69/215249269.db2.gz XCAKOZWBTJZUMX-CYBMUJFWSA-N 1 0 339.464 3.838 50 0 EHAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@@H]([NH3+])C1 ZINC000067965489 215262427 /nfs/dbraw/zinc/26/24/27/215262427.db2.gz VBDRXWJOFXZGOR-QGZVFWFLSA-N 1 0 349.434 3.975 50 0 EHAARO COc1ccc2cc([C@@H](C)Nc3nc(C)nc4c3CC[NH2+]C4)ccc2c1 ZINC000067955769 215258726 /nfs/dbraw/zinc/25/87/26/215258726.db2.gz BNIACFQGKAJFFY-CYBMUJFWSA-N 1 0 348.450 3.766 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(OCc2cscn2)cc1)[C@H](C)n1cccn1 ZINC000069372328 215390890 /nfs/dbraw/zinc/39/08/90/215390890.db2.gz XBUBDOHFJRWOSE-GJZGRUSLSA-N 1 0 342.468 3.658 50 0 EHAARO Cc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c(C)o1 ZINC000038584383 213215756 /nfs/dbraw/zinc/21/57/56/213215756.db2.gz SRQMXGSPYIRCQZ-UHFFFAOYSA-N 1 0 332.469 3.600 50 0 EHAARO c1nc2ccccc2n1CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000036708891 213112471 /nfs/dbraw/zinc/11/24/71/213112471.db2.gz STVXPSZLNQVBJA-UHFFFAOYSA-N 1 0 345.450 3.596 50 0 EHAARO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COCC(C)C)o1 ZINC000036097670 213065418 /nfs/dbraw/zinc/06/54/18/213065418.db2.gz LQSNJQDUWBOFKU-LJQANCHMSA-N 1 0 331.456 3.624 50 0 EHAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2C)C(C)C)cc1 ZINC000036104491 213068645 /nfs/dbraw/zinc/06/86/45/213068645.db2.gz YROWPEYFXHYBFJ-LJQANCHMSA-N 1 0 343.467 3.654 50 0 EHAARO CC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036103779 213068531 /nfs/dbraw/zinc/06/85/31/213068531.db2.gz KRHRUQBSIQXEOA-GOSISDBHSA-N 1 0 347.430 3.616 50 0 EHAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(C)c2)C(C)C)cc1 ZINC000036098731 213064390 /nfs/dbraw/zinc/06/43/90/213064390.db2.gz GASDMDHTFCMKKC-LJQANCHMSA-N 1 0 343.467 3.654 50 0 EHAARO CC(C)c1ccc2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)[nH]c2c1 ZINC000072126372 216018247 /nfs/dbraw/zinc/01/82/47/216018247.db2.gz DBYNHNPTUIUPFZ-GOSISDBHSA-N 1 0 339.483 3.992 50 0 EHAARO CC(C)c1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(C(F)(F)F)n1 ZINC000072134298 216023509 /nfs/dbraw/zinc/02/35/09/216023509.db2.gz MDBYEBMCDOUWHW-LBPRGKRZSA-N 1 0 330.398 3.539 50 0 EHAARO COc1ccc2[nH]c(C[N@@H+]3CC[C@H](n4nc(C)cc4C)C3)c(C)c2c1 ZINC000072145187 216032456 /nfs/dbraw/zinc/03/24/56/216032456.db2.gz FVXMIOZAYAQZFG-INIZCTEOSA-N 1 0 338.455 3.745 50 0 EHAARO CN1c2ccccc2C2(CC[NH+](Cc3cc4ccccc4o3)CC2)C1=O ZINC000072151670 216039587 /nfs/dbraw/zinc/03/95/87/216039587.db2.gz DRMKNYSCFCBVKK-UHFFFAOYSA-N 1 0 346.430 3.943 50 0 EHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C)C2)o1 ZINC000072159290 216049392 /nfs/dbraw/zinc/04/93/92/216049392.db2.gz QTNGYIXBYGVTRO-KRWDZBQOSA-N 1 0 340.467 3.792 50 0 EHAARO COc1coc(C[N@@H+]2CCC[C@@H](CCc3ccccc3C)C2)cc1=O ZINC000072163628 216051887 /nfs/dbraw/zinc/05/18/87/216051887.db2.gz KSNASBLXUXOQLS-KRWDZBQOSA-N 1 0 341.451 3.802 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)cc1O ZINC000072171364 216062854 /nfs/dbraw/zinc/06/28/54/216062854.db2.gz ZGPAAKNIEPLRMI-INIZCTEOSA-N 1 0 345.414 3.831 50 0 EHAARO Cc1nc2ccccc2nc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000072277275 216103595 /nfs/dbraw/zinc/10/35/95/216103595.db2.gz RNOPXJUSPLUFLM-UHFFFAOYSA-N 1 0 332.451 3.799 50 0 EHAARO COc1ccc2cc(C[NH2+]C3CCN(C(=O)C(C)C)CC3)ccc2c1 ZINC000030671108 212705553 /nfs/dbraw/zinc/70/55/53/212705553.db2.gz WNXYWJPVRXDAKS-UHFFFAOYSA-N 1 0 340.467 3.585 50 0 EHAARO Cc1nc[nH]c1CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072423272 216211321 /nfs/dbraw/zinc/21/13/21/216211321.db2.gz BKLVWTSGPHKXOA-NRFANRHFSA-N 1 0 338.499 3.596 50 0 EHAARO Clc1ccccc1C1(c2ccnc(NCC3CC3)n2)CC[NH2+]CC1 ZINC000072480216 216259987 /nfs/dbraw/zinc/25/99/87/216259987.db2.gz JEHGCODYXSIVEK-UHFFFAOYSA-N 1 0 342.874 3.621 50 0 EHAARO C[C@@H](c1cccc(-c2nc3c(-c4ccccn4)[nH]n(C)c-3n2)c1)[NH+](C)C ZINC000023478374 212377747 /nfs/dbraw/zinc/37/77/47/212377747.db2.gz TUEOATQRFVPDFD-ZDUSSCGKSA-N 1 0 346.438 3.648 50 0 EHAARO C/C=C(\C)CN1CCC[C@@H]([N@@H+](C)CCc2ccc(OC)c(OC)c2)C1 ZINC000023375287 212372958 /nfs/dbraw/zinc/37/29/58/212372958.db2.gz XJHSWCDZCOBBLF-KCCVMSORSA-N 1 0 346.515 3.609 50 0 EHAARO Cc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000022773794 212323210 /nfs/dbraw/zinc/32/32/10/212323210.db2.gz NPUDPHCQSOBRIP-UHFFFAOYSA-N 1 0 334.213 3.776 50 0 EHAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1csc(C)n1 ZINC000022770179 212323003 /nfs/dbraw/zinc/32/30/03/212323003.db2.gz YMGYTGQTXMPHOG-UHFFFAOYSA-N 1 0 344.436 3.922 50 0 EHAARO Cc1ccc(-n2nnnc2C2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000022436285 212296960 /nfs/dbraw/zinc/29/69/60/212296960.db2.gz KPOGSMZPZFVKAR-UHFFFAOYSA-N 1 0 325.460 3.616 50 0 EHAARO O=C(N1CCC[C@H]1c1ccccn1)C1([NH+]2CCCCC2)CCCCC1 ZINC000215318146 241119351 /nfs/dbraw/zinc/11/93/51/241119351.db2.gz QVMHKEBFPYORJP-IBGZPJMESA-N 1 0 341.499 3.934 50 0 EHAARO COc1ccc(C[NH+]2CCC(c3n[nH]cc3C)CC2)c(Cl)c1OC ZINC000215952927 241156486 /nfs/dbraw/zinc/15/64/86/241156486.db2.gz PJOCWBHIXRMEJK-UHFFFAOYSA-N 1 0 349.862 3.768 50 0 EHAARO COCC[N@@H+](Cc1ccccc1-c1ccc(C)o1)C[C@H]1CCCO1 ZINC000216523378 241198705 /nfs/dbraw/zinc/19/87/05/241198705.db2.gz YWMNXMIUZQOKJP-GOSISDBHSA-N 1 0 329.440 3.882 50 0 EHAARO c1ccc(-c2ncc(C[NH+]3CCC(Oc4cccnc4)CC3)cn2)cc1 ZINC000215550469 241130912 /nfs/dbraw/zinc/13/09/12/241130912.db2.gz QQFGUWRVNLWUAY-UHFFFAOYSA-N 1 0 346.434 3.582 50 0 EHAARO c1cc([C@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)nc3)C2)ncn1 ZINC000215661355 241136034 /nfs/dbraw/zinc/13/60/34/241136034.db2.gz CZGKKMOUVKZHGL-SFHVURJKSA-N 1 0 337.471 3.694 50 0 EHAARO CC[NH+](CC)CCNc1cc(C)nc2c(-c3ccc(F)cc3)cnn21 ZINC000021798986 212251969 /nfs/dbraw/zinc/25/19/69/212251969.db2.gz AFZHPPPGCRQHDM-UHFFFAOYSA-N 1 0 341.434 3.598 50 0 EHAARO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)no2)cc1 ZINC000021805604 212251624 /nfs/dbraw/zinc/25/16/24/212251624.db2.gz DNCUQCYXOFVENL-LJQANCHMSA-N 1 0 349.434 3.683 50 0 EHAARO Fc1ccc(C2(C[NH2+][C@@H](Cn3cncn3)C3CC3)CCCCC2)cc1 ZINC000225406584 241849298 /nfs/dbraw/zinc/84/92/98/241849298.db2.gz FWQCXCGLISVGOD-IBGZPJMESA-N 1 0 342.462 3.688 50 0 EHAARO COc1ccc(OC)c2c1C[N@@H+]([C@H]1CCCc3ccccc31)C[C@@H]2O ZINC000229517719 242172744 /nfs/dbraw/zinc/17/27/44/242172744.db2.gz LTTAMEKSNPHXFV-ROUUACIJSA-N 1 0 339.435 3.630 50 0 EHAARO O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229714116 242190374 /nfs/dbraw/zinc/19/03/74/242190374.db2.gz BLQCGCFSMRRQPV-VXKWHMMOSA-N 1 0 348.490 3.952 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(=O)n(-c2ccccc2)n1C ZINC000230136083 242237630 /nfs/dbraw/zinc/23/76/30/242237630.db2.gz WMSDSHMGTFQZQA-FXAWDEMLSA-N 1 0 339.483 3.639 50 0 EHAARO O=C(COc1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021148711 212210872 /nfs/dbraw/zinc/21/08/72/212210872.db2.gz LDPWZFYYYHZYFG-IBGZPJMESA-N 1 0 344.499 3.713 50 0 EHAARO Fc1ccccc1Nc1ncc2c(n1)CC[N@@H+](CCc1ccccc1)C2 ZINC000021038840 212202154 /nfs/dbraw/zinc/20/21/54/212202154.db2.gz RGMOTMNMXPTRPE-UHFFFAOYSA-N 1 0 348.425 3.960 50 0 EHAARO Fc1cccc2c(NCc3ccc(C[NH+]4CCCC4)cc3)ncnc12 ZINC000241132885 242986379 /nfs/dbraw/zinc/98/63/79/242986379.db2.gz JMTZGTDHMBQSIS-UHFFFAOYSA-N 1 0 336.414 3.977 50 0 EHAARO Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@@H]([NH3+])CC2)cc1F ZINC000244678779 243057959 /nfs/dbraw/zinc/05/79/59/243057959.db2.gz IJYGXAQDVBITRK-GOSISDBHSA-N 1 0 340.442 3.678 50 0 EHAARO COc1ccc2[nH]c(CN3CCC[C@@H]([NH+]4CCCC4)C3)c(C)c2c1 ZINC000020783602 212171840 /nfs/dbraw/zinc/17/18/40/212171840.db2.gz DCQLOKRQUVJICW-MRXNPFEDSA-N 1 0 327.472 3.545 50 0 EHAARO Cc1cc(OCCCN2CC[NH+](C)CC2)c(Cl)c(C)c1Cl ZINC000020639339 212158777 /nfs/dbraw/zinc/15/87/77/212158777.db2.gz KRFSJOQDPQHUHA-UHFFFAOYSA-N 1 0 331.287 3.627 50 0 EHAARO CC[NH+](CC)CCNc1ncnc2onc(-c3ccc(Cl)cc3)c21 ZINC000020329723 212119156 /nfs/dbraw/zinc/11/91/56/212119156.db2.gz FZORACUHBKDORJ-UHFFFAOYSA-N 1 0 345.834 3.692 50 0 EHAARO COc1ccc(-c2nc3c[nH]n([C@H](C)C(C)C)c-3n2)cc1C[NH+](C)C ZINC000020210779 212112546 /nfs/dbraw/zinc/11/25/46/212112546.db2.gz NVMGFCLMRBIECK-CYBMUJFWSA-N 1 0 341.459 3.714 50 0 EHAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(OC)c1OC ZINC000019721112 212058342 /nfs/dbraw/zinc/05/83/42/212058342.db2.gz SCRYGBBBABOUES-UHFFFAOYSA-N 1 0 335.831 3.698 50 0 EHAARO COc1ccc([C@@](O)(C[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019205315 212004419 /nfs/dbraw/zinc/00/44/19/212004419.db2.gz XXJMRCSHZFLZPI-JOCHJYFZSA-N 1 0 333.431 3.721 50 0 EHAARO O=C(/C=C/c1nc2ccccc2s1)NCCC[NH+]1CCCCCC1 ZINC000016259139 211892378 /nfs/dbraw/zinc/89/23/78/211892378.db2.gz CRTHQLJZEJJJEF-ZHACJKMWSA-N 1 0 343.496 3.692 50 0 EHAARO O=C(c1ccc(Cl)cc1)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631255 211748758 /nfs/dbraw/zinc/74/87/58/211748758.db2.gz UIRUMNBSFQDBSS-AWEZNQCLSA-N 1 0 329.827 3.949 50 0 EHAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1Cc1cccc(F)c1 ZINC000012154242 211309258 /nfs/dbraw/zinc/30/92/58/211309258.db2.gz RUYBRXWSCFZZAN-LJQANCHMSA-N 1 0 344.405 3.636 50 0 EHAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000011873496 211260629 /nfs/dbraw/zinc/26/06/29/211260629.db2.gz PNJFUMIHCZPRCG-KRWDZBQOSA-N 1 0 331.456 3.548 50 0 EHAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](CCc3ccccc3C)C2)CC1 ZINC000011839919 211254415 /nfs/dbraw/zinc/25/44/15/211254415.db2.gz ICRNHLOBZUOHMD-IBGZPJMESA-N 1 0 328.500 3.651 50 0 EHAARO CCC(CC)C[NH+]1CCC2(C[C@H](NC(=O)OC(C)(C)C)CO2)CC1 ZINC000091690313 218047555 /nfs/dbraw/zinc/04/75/55/218047555.db2.gz ZIFUMSWKBPRPBV-INIZCTEOSA-N 1 0 340.508 3.571 50 0 EHAARO O=C1N(CC2CCC2)CCC[C@]12CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000091845496 218075200 /nfs/dbraw/zinc/07/52/00/218075200.db2.gz ULHHNTMAPUHSRD-NCZOVAKNSA-N 1 0 338.495 3.814 50 0 EHAARO O=C1NCCC[C@]12CC[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000091877017 218083257 /nfs/dbraw/zinc/08/32/57/218083257.db2.gz WOJPOKFTFVTQQY-LJQANCHMSA-N 1 0 326.465 3.517 50 0 EHAARO CC[N@@H+](Cc1ccccc1)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434764 211173063 /nfs/dbraw/zinc/17/30/63/211173063.db2.gz FLVQWHBHFYORRA-DLBGWFIVSA-N 1 0 343.511 3.855 50 0 EHAARO COCOc1ccc(OC)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000092758954 218165560 /nfs/dbraw/zinc/16/55/60/218165560.db2.gz OTXODSBMZADOCX-UHFFFAOYSA-N 1 0 349.471 3.602 50 0 EHAARO Cc1ccc(SCc2ccc(C(=O)NCCC[NH+](C)C)cc2)cc1 ZINC000010111347 211148341 /nfs/dbraw/zinc/14/83/41/211148341.db2.gz NPOHQMAVMOEEFE-UHFFFAOYSA-N 1 0 342.508 3.969 50 0 EHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(Cl)cc1Cl ZINC000095361841 218294461 /nfs/dbraw/zinc/29/44/61/218294461.db2.gz LPGRRBPYCBXCER-AWEZNQCLSA-N 1 0 329.271 3.874 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000008940112 211021042 /nfs/dbraw/zinc/02/10/42/211021042.db2.gz PHYUWWKBPPUWRE-HOCLYGCPSA-N 1 0 339.483 3.507 50 0 EHAARO C[NH+]1CCC(Nc2cc3c4c(cccc4C(=O)c4ccccc4-3)n2)CC1 ZINC000008764758 211001872 /nfs/dbraw/zinc/00/18/72/211001872.db2.gz PRGXBCIJYTUUKE-UHFFFAOYSA-N 1 0 343.430 3.952 50 0 biogenic EHAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C(=O)NC(C)(C)C ZINC000095427272 218369369 /nfs/dbraw/zinc/36/93/69/218369369.db2.gz BMVCHLAZJVLDIF-HZPDHXFCSA-N 1 0 331.504 3.583 50 0 EHAARO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(OCc2nccn2C)cc1 ZINC000095420291 218360824 /nfs/dbraw/zinc/36/08/24/218360824.db2.gz GRSGVWMQWZMGNZ-CQSZACIVSA-N 1 0 327.453 3.911 50 0 EHAARO COC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000095420449 218360940 /nfs/dbraw/zinc/36/09/40/218360940.db2.gz WEIFAFSBFNKGFO-CYBMUJFWSA-N 1 0 345.418 3.921 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@@H](C)c1ccccc1 ZINC000095420590 218361625 /nfs/dbraw/zinc/36/16/25/218361625.db2.gz AMWPFLOGBFBAJX-CVEARBPZSA-N 1 0 331.481 3.513 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@H](C)CCc3ccc(O)cc3)CC2)n1 ZINC000095421825 218363768 /nfs/dbraw/zinc/36/37/68/218363768.db2.gz AIBNOALTNOLTGP-CQSZACIVSA-N 1 0 345.512 3.737 50 0 EHAARO CCc1nc(CNC2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000095422156 218364339 /nfs/dbraw/zinc/36/43/39/218364339.db2.gz DWKBGEVIUPORRX-UHFFFAOYSA-N 1 0 333.476 3.599 50 0 EHAARO Cc1cc([C@H]2CCCCN2C(=O)CC2CC[NH+](C(C)C)CC2)no1 ZINC000095519801 218426047 /nfs/dbraw/zinc/42/60/47/218426047.db2.gz XPTQDSIDIUPFGU-GOSISDBHSA-N 1 0 333.476 3.547 50 0 EHAARO Cc1nc2ccccc2n(CCC[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c1=O ZINC000095940850 218453892 /nfs/dbraw/zinc/45/38/92/218453892.db2.gz UDYFDXMQQUYTQI-YQQAZPJKSA-N 1 0 327.472 3.509 50 0 EHAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000097159706 218976732 /nfs/dbraw/zinc/97/67/32/218976732.db2.gz WNSPVAWAFUQTQP-QFIPXVFZSA-N 1 0 349.478 3.566 50 0 EHAARO C[C@H](Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccccc1Cl ZINC000097232213 219000292 /nfs/dbraw/zinc/00/02/92/219000292.db2.gz NQAYZQMJDWTTGH-LBPRGKRZSA-N 1 0 331.847 3.674 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Nc2cccc(SC(F)F)c2)CC1 ZINC000097595795 219038260 /nfs/dbraw/zinc/03/82/60/219038260.db2.gz DTKANFLPYIJMTP-UHFFFAOYSA-N 1 0 343.443 3.997 50 0 EHAARO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000004746262 210268947 /nfs/dbraw/zinc/26/89/47/210268947.db2.gz PDLBVBBEVGPBTN-QFIPXVFZSA-N 1 0 348.490 3.792 50 0 EHAARO C[C@H](c1ccc(-c2cccc(OCC(N)=O)c2)cc1)[NH+]1CCCCC1 ZINC000426541788 257963916 /nfs/dbraw/zinc/96/39/16/257963916.db2.gz YJPQLGFXHCIEBI-MRXNPFEDSA-N 1 0 338.451 3.765 50 0 EHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000237618013 257944703 /nfs/dbraw/zinc/94/47/03/257944703.db2.gz GKMISEYKBZRDSK-SMDDNHRTSA-N 1 0 343.858 3.717 50 0 EHAARO OC1CC[NH+](Cc2ccccc2NC2CCC3(CCCO3)CC2)CC1 ZINC000328588359 258045686 /nfs/dbraw/zinc/04/56/86/258045686.db2.gz CPYNEBDLJOAALP-UHFFFAOYSA-N 1 0 344.499 3.547 50 0 EHAARO Brc1cnn(C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000328586943 258046322 /nfs/dbraw/zinc/04/63/22/258046322.db2.gz HCKQNGYNEACORT-UHFFFAOYSA-N 1 0 326.263 3.544 50 0 EHAARO c1ccc(C[NH2+]Cc2cccc(OCc3ccc4c(c3)OCO4)c2)nc1 ZINC000299771076 258083850 /nfs/dbraw/zinc/08/38/50/258083850.db2.gz RXLAOBPFFQYPNR-UHFFFAOYSA-N 1 0 348.402 3.679 50 0 EHAARO CCN(CC)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299777664 258087817 /nfs/dbraw/zinc/08/78/17/258087817.db2.gz NHNJWZNRJBGYMC-KSZLIROESA-N 1 0 340.471 3.604 50 0 EHAARO CC(C)N(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299796542 258101245 /nfs/dbraw/zinc/10/12/45/258101245.db2.gz RAGWXHLHJHYIOX-KSZLIROESA-N 1 0 340.471 3.603 50 0 EHAARO COc1ccc(Oc2ccc(NC(=O)N(C)CC[NH+](C)C)cc2)cc1 ZINC000299800993 258104323 /nfs/dbraw/zinc/10/43/23/258104323.db2.gz XLTWGKMLLMVDLL-UHFFFAOYSA-N 1 0 343.427 3.513 50 0 EHAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000004552762 258050981 /nfs/dbraw/zinc/05/09/81/258050981.db2.gz MKJMUIFGYMUAKA-UHFFFAOYSA-N 1 0 332.488 3.556 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccccc3)s2)N1 ZINC000007127772 258052947 /nfs/dbraw/zinc/05/29/47/258052947.db2.gz BYTHJRZUMARAFA-KRWDZBQOSA-N 1 0 345.431 3.861 50 0 EHAARO CSc1ccc(C[N@H+](CCO)Cc2ccc(O)c(Cl)c2)cc1 ZINC000055060768 258061302 /nfs/dbraw/zinc/06/13/02/258061302.db2.gz WCBZXEHLWABRTK-UHFFFAOYSA-N 1 0 337.872 3.762 50 0 EHAARO CCOc1ccccc1OC1CC[NH+](Cc2scnc2C)CC1 ZINC000095982761 258067490 /nfs/dbraw/zinc/06/74/90/258067490.db2.gz LRFVYNJQLNYIFW-UHFFFAOYSA-N 1 0 332.469 3.894 50 0 EHAARO CC(=O)Nc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000123902275 222350531 /nfs/dbraw/zinc/35/05/31/222350531.db2.gz VCBPEHDTKPCXBH-UHFFFAOYSA-N 1 0 348.450 3.901 50 0 EHAARO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000251016454 518396660 /nfs/dbraw/zinc/39/66/60/518396660.db2.gz ASVTUSWKXGUDDQ-WMZOPIPTSA-N 1 0 345.464 3.528 50 0 EHAARO CCCc1ccc(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000225568416 521392399 /nfs/dbraw/zinc/39/23/99/521392399.db2.gz AJLLTDOJUOWMMB-IBGZPJMESA-N 1 0 346.540 3.586 50 0 EHAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)C1 ZINC000178519354 527216367 /nfs/dbraw/zinc/21/63/67/527216367.db2.gz ZKXPQXYWLGGCDM-LBPRGKRZSA-N 1 0 348.805 3.692 50 0 EHAARO CN1CCc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000015880096 564077320 /nfs/dbraw/zinc/07/73/20/564077320.db2.gz POEXPYLHKAATOZ-UHFFFAOYSA-N 1 0 342.251 3.690 50 0 EHAARO CSCc1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1Cl ZINC000195570231 564123879 /nfs/dbraw/zinc/12/38/79/564123879.db2.gz URLONFYLGKQZOX-GFCCVEGCSA-N 1 0 341.908 3.618 50 0 EHAARO CCN(CC)C(=O)[C@@H]1C=C(c2ccccc2)C=C[NH+]=C1N(CC)CC ZINC000000343690 563287360 /nfs/dbraw/zinc/28/73/60/563287360.db2.gz GNGRZQJPJDOLAC-LJQANCHMSA-N 1 0 339.483 3.822 50 0 EHAARO O=C(O[C@@H]1C[NH+]2CCC1CC2)C1c2ccccc2C=Cc2ccccc21 ZINC000000378126 563299392 /nfs/dbraw/zinc/29/93/92/563299392.db2.gz NFBVRKWTFKIBOD-OAQYLSRUSA-N 1 0 345.442 3.940 50 0 EHAARO Cc1cccc(-n2ncc3c2ncnc3NCCc2ccccc2)c1 ZINC000000425609 563309883 /nfs/dbraw/zinc/30/98/83/563309883.db2.gz NVPXSVRLIZNYEU-UHFFFAOYSA-N 1 0 329.407 3.779 50 0 EHAARO CC[N@H+](CCO)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001530654 563391299 /nfs/dbraw/zinc/39/12/99/563391299.db2.gz XXSMGPRMXLTPCZ-AWEZNQCLSA-N 1 0 335.879 3.783 50 0 fda EHAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000002497437 563434138 /nfs/dbraw/zinc/43/41/38/563434138.db2.gz GEVHASPEKHFKMQ-DZGCQCFKSA-N 1 0 343.389 3.912 50 0 EHAARO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000034683064 563450946 /nfs/dbraw/zinc/45/09/46/563450946.db2.gz IYNOJCSKNWJAJK-UHFFFAOYSA-N 1 0 337.467 3.662 50 0 EHAARO C[NH+]1CCN(c2ncnc3scc(-c4ccccc4Cl)c32)CC1 ZINC000004284160 563499074 /nfs/dbraw/zinc/49/90/74/563499074.db2.gz AFFDHNIIGHONII-UHFFFAOYSA-N 1 0 344.871 3.764 50 0 EHAARO O[C@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 ZINC000071910194 563574314 /nfs/dbraw/zinc/57/43/14/563574314.db2.gz QMRJOCCYYJXUME-LLVKDONJSA-N 1 0 327.268 3.537 50 0 EHAARO CN(CC[NH+](C)C)C(=O)c1ccccc1Sc1cccc(F)c1 ZINC000006637647 563575883 /nfs/dbraw/zinc/57/58/83/563575883.db2.gz VSPDAYGZLIPHPY-UHFFFAOYSA-N 1 0 332.444 3.611 50 0 EHAARO Cc1cccc(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2CCCCC3)c1 ZINC000002974643 563623531 /nfs/dbraw/zinc/62/35/31/563623531.db2.gz CKTXSTUKRPWVFZ-OAQYLSRUSA-N 1 0 339.434 3.784 50 0 EHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)C2CCCC2)CC1 ZINC000012575669 563663483 /nfs/dbraw/zinc/66/34/83/563663483.db2.gz NKXSSFTVACIALR-UHFFFAOYSA-N 1 0 328.500 3.590 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)c2cc(C)sc2C)[NH+](C)C)cc1 ZINC000032733485 563722318 /nfs/dbraw/zinc/72/23/18/563722318.db2.gz MIIXHISBKGRKGW-GOSISDBHSA-N 1 0 330.497 3.960 50 0 EHAARO CCOc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(C)cc2C)cc1 ZINC000014238451 563753555 /nfs/dbraw/zinc/75/35/55/563753555.db2.gz APAKWDLPUDJFME-IBGZPJMESA-N 1 0 343.467 3.574 50 0 EHAARO COc1cccc([C@@H](CNC(=O)Nc2ccccc2)[NH+]2CCCC2)c1 ZINC000014251995 563755641 /nfs/dbraw/zinc/75/56/41/563755641.db2.gz HZWBGSYSYSSYIB-LJQANCHMSA-N 1 0 339.439 3.654 50 0 EHAARO Cc1ccc(C)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000014383952 563758459 /nfs/dbraw/zinc/75/84/59/563758459.db2.gz WKQQFUQLUJRQDE-UHFFFAOYSA-N 1 0 337.467 3.616 50 0 EHAARO COCC1CC[NH+](Cc2nc(-c3ccc(F)cc3F)oc2C)CC1 ZINC000014950381 563767614 /nfs/dbraw/zinc/76/76/14/563767614.db2.gz KSFJQWMGGQGTQS-UHFFFAOYSA-N 1 0 336.382 3.787 50 0 EHAARO Cc1ncc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)s1 ZINC000015073376 563776004 /nfs/dbraw/zinc/77/60/04/563776004.db2.gz OIXCFDGFZBTFCZ-LJQANCHMSA-N 1 0 330.497 3.659 50 0 EHAARO c1coc(C[NH2+]Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)c1 ZINC000015083799 563777237 /nfs/dbraw/zinc/77/72/37/563777237.db2.gz MJERVEHKUSDGJJ-UHFFFAOYSA-N 1 0 337.375 3.877 50 0 EHAARO CCOC(=O)c1cc(C[NH2+][C@@H](CC)C23CC4CC(CC(C4)C2)C3)on1 ZINC000015082590 563777260 /nfs/dbraw/zinc/77/72/60/563777260.db2.gz FVYNJELKEIFWOE-ITOSSNOYSA-N 1 0 346.471 3.936 50 0 EHAARO OCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000016577266 563814833 /nfs/dbraw/zinc/81/48/33/563814833.db2.gz QCJZPOCDEGWBDD-UHFFFAOYSA-N 1 0 326.223 3.654 50 0 EHAARO Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599266 563815711 /nfs/dbraw/zinc/81/57/11/563815711.db2.gz BKYXJBWNKYXKCG-SFHVURJKSA-N 1 0 349.434 3.683 50 0 EHAARO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016606731 563817283 /nfs/dbraw/zinc/81/72/83/563817283.db2.gz DRYQVTOLSXVJQC-UHFFFAOYSA-N 1 0 329.831 3.586 50 0 EHAARO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000016606546 563817308 /nfs/dbraw/zinc/81/73/08/563817308.db2.gz KVRPONVCKWCKEX-UHFFFAOYSA-N 1 0 326.415 3.985 50 0 EHAARO C[C@H](c1cccs1)N(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167010 563856616 /nfs/dbraw/zinc/85/66/16/563856616.db2.gz BOTLDFFQHMDJME-CABCVRRESA-N 1 0 347.484 3.881 50 0 EHAARO Cc1nccn1-c1cc[nH+]cc1NC(=O)Cc1c(C)[nH]c2ccccc21 ZINC000069844156 563859066 /nfs/dbraw/zinc/85/90/66/563859066.db2.gz RNKFLUSTYMMYLI-UHFFFAOYSA-N 1 0 345.406 3.547 50 0 EHAARO CCN(Cc1ccco1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231498 563861073 /nfs/dbraw/zinc/86/10/73/563861073.db2.gz JSNIRNLIQXAHRX-INIZCTEOSA-N 1 0 347.484 3.710 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3sccc3C)c(C)c2)CC1 ZINC000022067911 563862160 /nfs/dbraw/zinc/86/21/60/563862160.db2.gz DPPIVYIYBHNOJL-UHFFFAOYSA-N 1 0 343.496 3.759 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccsc1 ZINC000025329796 563883311 /nfs/dbraw/zinc/88/33/11/563883311.db2.gz SAUDMMPNJLYVHV-GOSISDBHSA-N 1 0 341.480 3.581 50 0 EHAARO COCCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000026303023 563890771 /nfs/dbraw/zinc/89/07/71/563890771.db2.gz WCELXEDUKPALKW-UHFFFAOYSA-N 1 0 332.831 3.718 50 0 EHAARO COc1ccc(-c2noc(C[N@H+](C)[C@@H](C)C(C)(C)C)n2)cc1OC ZINC000027134758 563894843 /nfs/dbraw/zinc/89/48/43/563894843.db2.gz QJJAADNDSXSWOC-LBPRGKRZSA-N 1 0 333.432 3.620 50 0 EHAARO Cc1csc2nc(C[NH2+][C@H](c3cccs3)C(C)C)cc(=O)n12 ZINC000029201744 563905208 /nfs/dbraw/zinc/90/52/08/563905208.db2.gz XRBIBQJGJPFAJT-HNNXBMFYSA-N 1 0 333.482 3.613 50 0 EHAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(Br)s1 ZINC000072298426 563912426 /nfs/dbraw/zinc/91/24/26/563912426.db2.gz XMWSPNYGOAKZKC-GFCCVEGCSA-N 1 0 340.290 3.894 50 0 EHAARO O=c1c2cccc(F)c2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032513836 563913819 /nfs/dbraw/zinc/91/38/19/563913819.db2.gz RHMLHBVNXMESAC-MRXNPFEDSA-N 1 0 343.446 3.723 50 0 EHAARO C[C@@H]1CN(CC(=O)NCCCOC2CCCCC2)[C@@H]1c1ccccc1 ZINC000072308830 563916423 /nfs/dbraw/zinc/91/64/23/563916423.db2.gz QNXPTGMXFXNZJQ-UTKZUKDTSA-N 1 0 344.499 3.535 50 0 EHAARO CC[NH+](CC)CCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000032962516 563919689 /nfs/dbraw/zinc/91/96/89/563919689.db2.gz DRASOPHPZAEWHA-UHFFFAOYSA-N 1 0 342.508 3.975 50 0 EHAARO CC(C)c1nc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000071857547 563929025 /nfs/dbraw/zinc/92/90/25/563929025.db2.gz DTCXWMXHECJUJO-UHFFFAOYSA-N 1 0 339.505 3.756 50 0 EHAARO COC(=O)CC1=Nc2ccccc2C(c2cccc(Cl)c2)=[NH+]C1 ZINC000045795938 563929409 /nfs/dbraw/zinc/92/94/09/563929409.db2.gz WTZNXYQJCFPHMR-UVTDQMKNSA-N 1 0 326.783 3.660 50 0 EHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C)cc3c[nH]nc32)c1 ZINC000060365728 563935556 /nfs/dbraw/zinc/93/55/56/563935556.db2.gz HMXLVEMUJPMAPO-UHFFFAOYSA-N 1 0 336.439 3.965 50 0 EHAARO COc1c(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)c(C(C)C)nn1C ZINC000058416313 563945500 /nfs/dbraw/zinc/94/55/00/563945500.db2.gz MCCVQELKCMTGOI-UHFFFAOYSA-N 1 0 340.471 3.940 50 0 EHAARO Cc1cc(OC(C)C)ccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000096491380 563955640 /nfs/dbraw/zinc/95/56/40/563955640.db2.gz YCOPALBNBYRKSH-QGZVFWFLSA-N 1 0 345.487 3.732 50 0 EHAARO O=C(CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)NCc1ccco1 ZINC000065371157 563958367 /nfs/dbraw/zinc/95/83/67/563958367.db2.gz KTGQYVAGBXAITC-GOSISDBHSA-N 1 0 330.403 3.652 50 0 EHAARO C/C=C(\C)c1c(-c2ccccc2)ncn1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000065434453 563960903 /nfs/dbraw/zinc/96/09/03/563960903.db2.gz JWFYPQYVZIIAPU-KAKVSTIOSA-N 1 0 339.483 3.678 50 0 EHAARO CNC(=O)CC1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000065494355 563961548 /nfs/dbraw/zinc/96/15/48/563961548.db2.gz HXJLWOLWZNOGOT-UHFFFAOYSA-N 1 0 346.858 3.948 50 0 EHAARO CC(=O)N1CCCC[C@H]1C1=CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000065493097 563961576 /nfs/dbraw/zinc/96/15/76/563961576.db2.gz ZLWPABYLMGWGIL-QFIPXVFZSA-N 1 0 349.478 3.768 50 0 EHAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000071707831 563964757 /nfs/dbraw/zinc/96/47/57/563964757.db2.gz JOTVVFZIACAMQS-SFHVURJKSA-N 1 0 349.434 3.501 50 0 EHAARO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000071779875 563965811 /nfs/dbraw/zinc/96/58/11/563965811.db2.gz LNTBDYGLRRKZNA-PZJWPPBQSA-N 1 0 335.451 3.530 50 0 EHAARO COc1ccnc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000097086117 563967340 /nfs/dbraw/zinc/96/73/40/563967340.db2.gz HUFDHBDLXUYIGF-UHFFFAOYSA-N 1 0 332.831 3.539 50 0 EHAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)cc(C)[nH+]1 ZINC000077389996 563969379 /nfs/dbraw/zinc/96/93/79/563969379.db2.gz WVEYFXKJFGXKGS-OAQYLSRUSA-N 1 0 341.499 3.850 50 0 EHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1CC12CCC2 ZINC000077408329 563969544 /nfs/dbraw/zinc/96/95/44/563969544.db2.gz BUVBBUGPUOLFJH-LJQANCHMSA-N 1 0 326.484 3.547 50 0 EHAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3ccnc(C(C)C)n3)C2)c1 ZINC000077440699 563969688 /nfs/dbraw/zinc/96/96/88/563969688.db2.gz BJLKCWAWMZKEOT-OAHLLOKOSA-N 1 0 341.455 3.607 50 0 EHAARO CC(C)C[C@H](O)C1CCN(Cc2c[nH]c(CC3CCCC3)n2)CC1 ZINC000077505297 563970060 /nfs/dbraw/zinc/97/00/60/563970060.db2.gz QQCOYFJJSUDGRG-IBGZPJMESA-N 1 0 333.520 3.761 50 0 EHAARO Cc1ccc(C(=O)CCC[N@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000082086711 563972008 /nfs/dbraw/zinc/97/20/08/563972008.db2.gz JICIJAGDFATWHG-SFHVURJKSA-N 1 0 325.456 3.571 50 0 EHAARO Cc1nc(C)c(C(=O)N[C@H]2CCCC[N@H+](CCC(C)(C)C)C2)s1 ZINC000082121458 563972489 /nfs/dbraw/zinc/97/24/89/563972489.db2.gz GTNPDDRMUPUKFO-HNNXBMFYSA-N 1 0 337.533 3.780 50 0 EHAARO Cc1cccnc1CNc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097082176 563973175 /nfs/dbraw/zinc/97/31/75/563973175.db2.gz LWGDFQVEOJRPOI-LJQANCHMSA-N 1 0 347.466 3.646 50 0 EHAARO CCn1ccnc1[C@H]1CCC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000092028259 563975997 /nfs/dbraw/zinc/97/59/97/563975997.db2.gz QLFBVALRFONFPB-KRWDZBQOSA-N 1 0 343.446 3.885 50 0 EHAARO Cc1nc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)oc1C ZINC000072290433 563976412 /nfs/dbraw/zinc/97/64/12/563976412.db2.gz MSDYZMIHXVUZNV-YOFSQIOKSA-N 1 0 339.483 3.919 50 0 EHAARO CCSCCC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095507646 563977169 /nfs/dbraw/zinc/97/71/69/563977169.db2.gz SNXJIQPSVQZOIV-GOSISDBHSA-N 1 0 346.540 3.610 50 0 EHAARO Cc1ccc2[nH+]ccc(N3CCC(CCN4CCCC4=O)CC3)c2c1 ZINC000096149547 563979619 /nfs/dbraw/zinc/97/96/19/563979619.db2.gz UTPQPQXMTQWLOC-UHFFFAOYSA-N 1 0 337.467 3.772 50 0 EHAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cccc2c1N=S=N2 ZINC000247760753 563981452 /nfs/dbraw/zinc/98/14/52/563981452.db2.gz HEWPZQCHYVQYIP-OLZOCXBDSA-N 1 0 330.457 3.864 50 0 EHAARO CC(C)c1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1 ZINC000000182332 563987924 /nfs/dbraw/zinc/98/79/24/563987924.db2.gz GRYURVYERZABFR-IBGZPJMESA-N 1 0 332.513 3.870 50 0 EHAARO Cc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccncc1 ZINC000000221127 563988842 /nfs/dbraw/zinc/98/88/42/563988842.db2.gz AXLKTHDCEJTJCK-INIZCTEOSA-N 1 0 342.512 3.712 50 0 EHAARO CC(C)CO[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000248146788 563995302 /nfs/dbraw/zinc/99/53/02/563995302.db2.gz FHKAAUJLFYETFC-MSOLQXFVSA-N 1 0 346.515 3.738 50 0 EHAARO CCOc1cccc(-c2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2)c1 ZINC000426503782 563996261 /nfs/dbraw/zinc/99/62/61/563996261.db2.gz ZVIOOVPRDZAMMW-LJQANCHMSA-N 1 0 338.451 3.624 50 0 EHAARO C[C@H](N[C@@H](C)[C@H](C)n1cccn1)c1nnc(-c2cccc(Cl)c2)o1 ZINC000252475398 563997647 /nfs/dbraw/zinc/99/76/47/563997647.db2.gz ZRYLIHCXGKRKBK-AVGNSLFASA-N 1 0 345.834 3.887 50 0 EHAARO Cc1csc([C@@H]2CN(Cc3ccc(F)c4cccnc34)CCO2)n1 ZINC000065463472 563998189 /nfs/dbraw/zinc/99/81/89/563998189.db2.gz DOHKOUWWMKRCDP-INIZCTEOSA-N 1 0 343.427 3.712 50 0 EHAARO c1cc(C2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)n[nH]1 ZINC000065512316 563998256 /nfs/dbraw/zinc/99/82/56/563998256.db2.gz YVZIWNJDRKZDJV-UHFFFAOYSA-N 1 0 348.450 3.763 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC000253421573 563999215 /nfs/dbraw/zinc/99/92/15/563999215.db2.gz YGXKTWJVUVPQEY-CQSZACIVSA-N 1 0 330.463 3.781 50 0 EHAARO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000078756190 564000875 /nfs/dbraw/zinc/00/08/75/564000875.db2.gz KMEREEMGHFGIQE-BBRMVZONSA-N 1 0 332.488 3.761 50 0 EHAARO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000017310373 564011602 /nfs/dbraw/zinc/01/16/02/564011602.db2.gz AXYYPQWGWZGLFX-UHFFFAOYSA-N 1 0 339.414 3.927 50 0 EHAARO C[C@@H](CC[C@H]1CC1(Cl)Cl)[NH2+]Cc1nncn1-c1ccccc1 ZINC000583650749 564018295 /nfs/dbraw/zinc/01/82/95/564018295.db2.gz AGGRYYFKNADSCU-STQMWFEESA-N 1 0 339.270 3.719 50 0 EHAARO C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000046734638 564023937 /nfs/dbraw/zinc/02/39/37/564023937.db2.gz AUCWFCVVSQIMFC-OAHLLOKOSA-N 1 0 342.414 3.828 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000047416278 564026287 /nfs/dbraw/zinc/02/62/87/564026287.db2.gz VJHJXSPYGDBIEP-BETUJISGSA-N 1 0 326.843 3.577 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccncc1 ZINC000106830175 564026642 /nfs/dbraw/zinc/02/66/42/564026642.db2.gz YLLVFNMVCPYWCN-RTWAWAEBSA-N 1 0 349.478 3.657 50 0 EHAARO C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C1CCOCC1 ZINC000108462342 564028250 /nfs/dbraw/zinc/02/82/50/564028250.db2.gz LMUDQKJMYZOEPW-BRWVUGGUSA-N 1 0 332.488 3.523 50 0 EHAARO C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccncc1 ZINC000108491690 564028323 /nfs/dbraw/zinc/02/83/23/564028323.db2.gz AWQMWNRKIGAQIJ-IXDOHACOSA-N 1 0 325.456 3.864 50 0 EHAARO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c2ccccc2n1 ZINC000032961427 564036324 /nfs/dbraw/zinc/03/63/24/564036324.db2.gz DSSTXYKOTHEETL-UHFFFAOYSA-N 1 0 337.467 3.634 50 0 EHAARO Cc1cn2c(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)c(C)nc2s1 ZINC000222089851 564036734 /nfs/dbraw/zinc/03/67/34/564036734.db2.gz IJCMEEVLYUYNTH-GOEBONIOSA-N 1 0 345.468 3.694 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)c1cccs1 ZINC000225470214 564047066 /nfs/dbraw/zinc/04/70/66/564047066.db2.gz TYTYPWQAZPXTLF-KRWDZBQOSA-N 1 0 326.465 3.740 50 0 EHAARO Cc1cc(C)c(CN2CC([N@H+]3CCCC[C@H]3C)C2)c(-n2cccn2)c1 ZINC000252489450 564053482 /nfs/dbraw/zinc/05/34/82/564053482.db2.gz JRGCSROMCADJIA-GOSISDBHSA-N 1 0 338.499 3.548 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)Nc1cccs1 ZINC000043972137 564058876 /nfs/dbraw/zinc/05/88/76/564058876.db2.gz QOZXDTNFLIIVGL-UHFFFAOYSA-N 1 0 335.498 3.843 50 0 EHAARO COc1ccc(C[N@H+](C)Cn2cnc3cc(C)c(C)cc32)cc1OC ZINC000012554444 564059248 /nfs/dbraw/zinc/05/92/48/564059248.db2.gz HQWLRMOEBWLBIT-UHFFFAOYSA-N 1 0 339.439 3.760 50 0 EHAARO O=[S@@](Cc1cn2cc(Br)ccc2n1)C1CCCCC1 ZINC000083977968 564065452 /nfs/dbraw/zinc/06/54/52/564065452.db2.gz MLWAMCGRGUGLOM-LJQANCHMSA-N 1 0 341.274 3.678 50 0 EHAARO CC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000025936029 564066905 /nfs/dbraw/zinc/06/69/05/564066905.db2.gz ILSYMZSZEZXKNE-UHFFFAOYSA-N 1 0 342.439 3.555 50 0 EHAARO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc(Cl)c[nH]1 ZINC000084398020 564068062 /nfs/dbraw/zinc/06/80/62/564068062.db2.gz PXGXPMHBJLYZCB-UHFFFAOYSA-N 1 0 331.847 3.949 50 0 EHAARO COc1ccc(OCC[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000084660901 564069479 /nfs/dbraw/zinc/06/94/79/564069479.db2.gz ULTHZONSOUWKLO-INIZCTEOSA-N 1 0 337.423 3.611 50 0 EHAARO Cc1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000015698696 564070880 /nfs/dbraw/zinc/07/08/80/564070880.db2.gz MBSQZBPZXKGMGY-UHFFFAOYSA-N 1 0 328.843 3.606 50 0 EHAARO O=c1cc(C[N@H+](CCc2ccccc2)C2CCCC2)nc2ccccn12 ZINC000063754821 564076755 /nfs/dbraw/zinc/07/67/55/564076755.db2.gz QPUHGQQITWXAII-UHFFFAOYSA-N 1 0 347.462 3.682 50 0 EHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1 ZINC000015862260 564076983 /nfs/dbraw/zinc/07/69/83/564076983.db2.gz OSXSRYGBJLVPHL-UHFFFAOYSA-N 1 0 336.435 3.786 50 0 EHAARO Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000012947691 564079744 /nfs/dbraw/zinc/07/97/44/564079744.db2.gz OMRRTOHSZWQOSS-YBEGLDIGSA-N 1 0 341.436 3.934 50 0 EHAARO CC(C)(C)CN1c2ccccc2NC2(CC[NH+](CC3CC3)CC2)C1=O ZINC000063846475 564081819 /nfs/dbraw/zinc/08/18/19/564081819.db2.gz HSROPEMNESUPSP-UHFFFAOYSA-N 1 0 341.499 3.736 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)NCc1cccs1)c1cc2ccccc2o1 ZINC000575622158 564083922 /nfs/dbraw/zinc/08/39/22/564083922.db2.gz WWPXNJCFPOWAAE-HNNXBMFYSA-N 1 0 343.452 3.596 50 0 EHAARO COc1cccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000012977486 564084928 /nfs/dbraw/zinc/08/49/28/564084928.db2.gz VHNAMDKYIKNMBE-UHFFFAOYSA-N 1 0 335.451 3.847 50 0 EHAARO COc1cc2c(cc1NC(=O)[C@H](C)[NH2+]C(C)C)oc1ccccc12 ZINC000012986744 564085726 /nfs/dbraw/zinc/08/57/26/564085726.db2.gz RALYPCXFDNLUSD-LBPRGKRZSA-N 1 0 326.396 3.920 50 0 EHAARO O=C(c1ccc2ccccc2n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000013008976 564086494 /nfs/dbraw/zinc/08/64/94/564086494.db2.gz SVXSDANQUOGVHF-UHFFFAOYSA-N 1 0 345.446 3.583 50 0 EHAARO Cn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000091830552 564087950 /nfs/dbraw/zinc/08/79/50/564087950.db2.gz IAFFMZUNRGSWLG-QGZVFWFLSA-N 1 0 340.471 3.516 50 0 EHAARO CC[C@@H]1[C@H](O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H]1c1ccc(OC)cc1 ZINC000239235499 564088024 /nfs/dbraw/zinc/08/80/24/564088024.db2.gz WBWWKIRERSPQIP-MHTWAQMVSA-N 1 0 341.451 3.867 50 0 EHAARO C[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510417 564091151 /nfs/dbraw/zinc/09/11/51/564091151.db2.gz AEGYJBFRKBTPDY-KRWDZBQOSA-N 1 0 344.499 3.608 50 0 EHAARO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000006558232 564092032 /nfs/dbraw/zinc/09/20/32/564092032.db2.gz IBGGKOLAUJMDKJ-OAHLLOKOSA-N 1 0 334.529 3.925 50 0 EHAARO COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@@H](C)c1ccccn1 ZINC000089570386 564092929 /nfs/dbraw/zinc/09/29/29/564092929.db2.gz PABXZITWXILAMF-ZDUSSCGKSA-N 1 0 347.846 3.684 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(F)cc3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426382936 564093529 /nfs/dbraw/zinc/09/35/29/564093529.db2.gz PPHODMFSLXDQBD-SLFFLAALSA-N 1 0 333.447 3.764 50 0 EHAARO CCOC(=O)N1CCC([N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000426498629 564093918 /nfs/dbraw/zinc/09/39/18/564093918.db2.gz PLUVRDDSDJTVSQ-GOSISDBHSA-N 1 0 330.472 3.733 50 0 EHAARO C[C@@H](NC(=O)C1=CC[N@H+](Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000064818079 564096471 /nfs/dbraw/zinc/09/64/71/564096471.db2.gz DMWCENHDWZMCKM-MRXNPFEDSA-N 1 0 338.426 3.835 50 0 EHAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccccc1 ZINC000169677947 564098154 /nfs/dbraw/zinc/09/81/54/564098154.db2.gz TVOIJOLZYLXWOQ-PKOBYXMFSA-N 1 0 343.467 3.736 50 0 EHAARO Cc1oc2c(c1C(=O)N1CCCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291972 564104693 /nfs/dbraw/zinc/10/46/93/564104693.db2.gz HNNZSYQUDRVVOY-UHFFFAOYSA-N 1 0 342.414 3.521 50 0 EHAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000065592288 564108010 /nfs/dbraw/zinc/10/80/10/564108010.db2.gz YAAJYKPAVJIZKT-QGZVFWFLSA-N 1 0 335.451 3.591 50 0 EHAARO Cc1noc([C@H]2CCC[N@H+](CCCOc3cccc(Cl)c3)C2)n1 ZINC000065613539 564108394 /nfs/dbraw/zinc/10/83/94/564108394.db2.gz KOPLPDJWYUYXSA-AWEZNQCLSA-N 1 0 335.835 3.680 50 0 EHAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2)C12CCCCC2 ZINC000170591960 564108814 /nfs/dbraw/zinc/10/88/14/564108814.db2.gz JGAJRZVBPQLPCG-RYQLBKOJSA-N 1 0 330.472 3.731 50 0 EHAARO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000170610757 564109770 /nfs/dbraw/zinc/10/97/70/564109770.db2.gz JHRHFWSLCYRKPS-UWJYYQICSA-N 1 0 347.462 3.885 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000042242071 564110816 /nfs/dbraw/zinc/11/08/16/564110816.db2.gz NDCDIRONSVGFHN-QGZVFWFLSA-N 1 0 340.471 3.692 50 0 EHAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)[nH]c1=O ZINC000089904651 564114977 /nfs/dbraw/zinc/11/49/77/564114977.db2.gz VDLVRHYIFBCHBM-LLVKDONJSA-N 1 0 349.356 3.768 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](CC)C1 ZINC000089948906 564115753 /nfs/dbraw/zinc/11/57/53/564115753.db2.gz YBAZYAUSNUIWBM-HOCLYGCPSA-N 1 0 342.405 3.832 50 0 EHAARO c1nnc([C@H]2CCC[N@@H+](CCSC3CCCCC3)C2)n1C1CC1 ZINC000252495790 564119698 /nfs/dbraw/zinc/11/96/98/564119698.db2.gz PAFAULYVLZWLBE-HNNXBMFYSA-N 1 0 334.533 3.858 50 0 EHAARO C[C@]12CC3CC(C(=O)N[C@H]4CC[N@@H+]5CCC[C@@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000252512643 564120152 /nfs/dbraw/zinc/12/01/52/564120152.db2.gz UDAXJCVJNFABGB-CINKKYBTSA-N 1 0 330.516 3.726 50 0 EHAARO C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@@H](n2cncn2)C1 ZINC000252537191 564120575 /nfs/dbraw/zinc/12/05/75/564120575.db2.gz KPOIHDIQELUXBK-JLSDUUJJSA-N 1 0 344.890 3.983 50 0 EHAARO CO[C@@H](c1noc([C@@H](C)N2[C@H](C)CC[C@@H]2C)n1)c1ccc(F)cc1 ZINC000252551883 564120768 /nfs/dbraw/zinc/12/07/68/564120768.db2.gz UJFADMNCVWDAQU-OQMKEHIESA-N 1 0 333.407 3.878 50 0 EHAARO C[C@@H](NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000007788129 564123317 /nfs/dbraw/zinc/12/33/17/564123317.db2.gz MCTQACUZXRZMGP-GOSISDBHSA-N 1 0 336.479 3.819 50 0 EHAARO CC(=O)N1CCC(CC[NH2+][C@@H](c2ccco2)c2ccc(F)cc2)CC1 ZINC000195560734 564123848 /nfs/dbraw/zinc/12/38/48/564123848.db2.gz YUVFAUPGZLBBKB-HXUWFJFHSA-N 1 0 344.430 3.746 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 ZINC000007828418 564124051 /nfs/dbraw/zinc/12/40/51/564124051.db2.gz IAXZJWQQUGZEEO-UHFFFAOYSA-N 1 0 332.394 3.737 50 0 EHAARO Cc1ncsc1CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253417415 564130806 /nfs/dbraw/zinc/13/08/06/564130806.db2.gz DOVGSLIDZZVPFS-LLVKDONJSA-N 1 0 344.406 3.616 50 0 EHAARO CN(C(=O)c1ccc(-c2cccc3cccnc32)cc1)[C@H]1CC[N@H+](C)C1 ZINC000584893600 564131611 /nfs/dbraw/zinc/13/16/11/564131611.db2.gz WPLUMNLPBNYQFI-IBGZPJMESA-N 1 0 345.446 3.678 50 0 EHAARO O=C(Oc1ccccc1)N1CCC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000253432101 564131892 /nfs/dbraw/zinc/13/18/92/564131892.db2.gz ZUTFTZCHIRQVDA-VQTJNVASSA-N 1 0 336.435 3.749 50 0 EHAARO C[N@H+](CCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253499788 564132739 /nfs/dbraw/zinc/13/27/39/564132739.db2.gz NINCEUANGIAEBE-UTNDXIFNSA-N 1 0 349.559 3.683 50 0 biogenic EHAARO O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000013011476 564135917 /nfs/dbraw/zinc/13/59/17/564135917.db2.gz HSXRRQRCXBWSFP-KRWDZBQOSA-N 1 0 348.899 3.897 50 0 EHAARO Cc1sccc1CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000390833534 564138814 /nfs/dbraw/zinc/13/88/14/564138814.db2.gz IYAYLDDBGXTBQL-UHFFFAOYSA-N 1 0 342.508 3.722 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Br)cc1 ZINC000095459402 564140709 /nfs/dbraw/zinc/14/07/09/564140709.db2.gz QFWYQKOGBOGTPH-SWLSCSKDSA-N 1 0 340.261 3.785 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C)cc1S(N)(=O)=O ZINC000095462755 564140864 /nfs/dbraw/zinc/14/08/64/564140864.db2.gz CDFDYKQYIUHOBA-PBHICJAKSA-N 1 0 340.533 3.754 50 0 EHAARO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000095968564 564143210 /nfs/dbraw/zinc/14/32/10/564143210.db2.gz AGRIHAGQZIDSGA-APPDUMDISA-N 1 0 333.476 3.934 50 0 EHAARO C[C@@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccs1 ZINC000095969307 564143363 /nfs/dbraw/zinc/14/33/63/564143363.db2.gz DYZSEWUSBKPHLM-WBVHZDCISA-N 1 0 328.481 3.632 50 0 EHAARO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000095983737 564143811 /nfs/dbraw/zinc/14/38/11/564143811.db2.gz JFXBYXLZTNCKGB-RDTXWAMCSA-N 1 0 344.405 3.681 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000095988574 564144041 /nfs/dbraw/zinc/14/40/41/564144041.db2.gz FZAKBZCRUWGAPS-MOPGFXCFSA-N 1 0 346.377 3.543 50 0 EHAARO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccc(-n2cncn2)cc1 ZINC000096472999 564148397 /nfs/dbraw/zinc/14/83/97/564148397.db2.gz BAGCIRVEVQEUEK-ZDUSSCGKSA-N 1 0 339.468 3.842 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(OCc2nccn2C)cc1 ZINC000096479277 564148571 /nfs/dbraw/zinc/14/85/71/564148571.db2.gz RCFQAZVHWTWOSF-YOEHRIQHSA-N 1 0 331.485 3.545 50 0 EHAARO C[C@H](Cc1ccsc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000097084264 564149331 /nfs/dbraw/zinc/14/93/31/564149331.db2.gz JPVIVQDGIKGOAR-CQSZACIVSA-N 1 0 344.480 3.735 50 0 EHAARO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028235228 564150812 /nfs/dbraw/zinc/15/08/12/564150812.db2.gz VGQRCMROXSYUNO-UZLBHIALSA-N 1 0 338.451 3.537 50 0 EHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000003216042 564156096 /nfs/dbraw/zinc/15/60/96/564156096.db2.gz BDDFHKQCQVEDIO-IBGZPJMESA-N 1 0 327.468 3.990 50 0 EHAARO c1cn(CCOc2ccccc2C[N@@H+]2CCC3(CCCC3)C2)cn1 ZINC000670438889 564157544 /nfs/dbraw/zinc/15/75/44/564157544.db2.gz WBZYQMNJOGVNLX-UHFFFAOYSA-N 1 0 325.456 3.728 50 0 EHAARO c1coc([C@@H](CNc2ncnc3sccc32)[NH+]2CCCCC2)c1 ZINC000008735148 564167141 /nfs/dbraw/zinc/16/71/41/564167141.db2.gz FRFUTOCWFKFSIP-CQSZACIVSA-N 1 0 328.441 3.923 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1OCc1ccccn1)[C@@H](C)n1cccn1 ZINC000069414724 564169188 /nfs/dbraw/zinc/16/91/88/564169188.db2.gz GCLIKTKKRYTTNG-IAGOWNOFSA-N 1 0 336.439 3.596 50 0 EHAARO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000106136807 564177278 /nfs/dbraw/zinc/17/72/78/564177278.db2.gz JCOZZQNWKWNBJN-CVEARBPZSA-N 1 0 343.467 3.864 50 0 EHAARO C[N@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccc(F)cc1F ZINC000519225005 564177504 /nfs/dbraw/zinc/17/75/04/564177504.db2.gz JIXVOWKQTOREBE-UHFFFAOYSA-N 1 0 335.350 3.594 50 0 EHAARO Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000497444059 1014655097 /nfs/dbraw/zinc/65/50/97/1014655097.db2.gz HXUUYZIZOUBOHW-IBGZPJMESA-N 1 0 329.488 3.572 50 0 EHAARO CC(C)NC(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257190628 1032784260 /nfs/dbraw/zinc/78/42/60/1032784260.db2.gz NDOXHOCNTJEWOF-SFHVURJKSA-N 1 0 329.488 3.652 50 0 EHAARO Cc1c2ccccc2oc1[C@@H]([NH2+]C1CCS(=O)(=O)CC1)C(C)C ZINC000291230260 1023864320 /nfs/dbraw/zinc/86/43/20/1023864320.db2.gz TZRKWXJIGXRJHP-KRWDZBQOSA-N 1 0 335.469 3.605 50 0 EHAARO Cc1csc(CN(C)Cc2ccc(OC[C@@H]3CCCO3)cc2)n1 ZINC000093791684 1029668424 /nfs/dbraw/zinc/66/84/24/1029668424.db2.gz DQXKVVFOTCJZPU-KRWDZBQOSA-N 1 0 332.469 3.641 50 0 EHAARO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000796708749 1031392488 /nfs/dbraw/zinc/39/24/88/1031392488.db2.gz SBXVJOASPMEBCW-SFHVURJKSA-N 1 0 341.455 3.724 50 0 EHAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)CC2 ZINC000177995072 1035503170 /nfs/dbraw/zinc/50/31/70/1035503170.db2.gz ZBSHJJFWEWZQAD-NRFANRHFSA-N 1 0 334.463 3.895 50 0 EHAARO COc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000257187956 1038476822 /nfs/dbraw/zinc/47/68/22/1038476822.db2.gz MHKASDPASRGTFI-GOSISDBHSA-N 1 0 344.499 3.669 50 0 EHAARO c1ccc(-c2nc(CC[C@H]3CCC[N@@H+]3Cc3ccccn3)no2)cc1 ZINC000675020753 1039890900 /nfs/dbraw/zinc/89/09/00/1039890900.db2.gz UISFHKKLYAWSKN-GOSISDBHSA-N 1 0 334.423 3.729 50 0 EHAARO CC[NH+](CC)CCc1ccc(NC(=O)N(C)Cc2ccccn2)cc1 ZINC000170612070 1040352078 /nfs/dbraw/zinc/35/20/78/1040352078.db2.gz LWKYRJZYKUFUKQ-UHFFFAOYSA-N 1 0 340.471 3.630 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(OC)c(F)c2)cc1 ZINC000007829110 1042918980 /nfs/dbraw/zinc/91/89/80/1042918980.db2.gz CBZSHHDJHOEFIZ-UHFFFAOYSA-N 1 0 344.430 3.606 50 0 EHAARO CCN(CCC[NH+](CC)CC)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000252496497 1121420774 /nfs/dbraw/zinc/42/07/74/1121420774.db2.gz PJTXLNDZWPXSQH-UHFFFAOYSA-N 1 0 343.475 3.662 50 0 EHAARO Cc1cc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c(C)o1 ZINC000011880016 1129108087 /nfs/dbraw/zinc/10/80/87/1129108087.db2.gz WKCVNNHWTLRFLI-IBGZPJMESA-N 1 0 340.467 3.676 50 0 EHAARO CC[C@H](O)CN(Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000179947853 1123904684 /nfs/dbraw/zinc/90/46/84/1123904684.db2.gz ZEDYSMGWLYPGOM-FQEVSTJZSA-N 1 0 335.451 3.850 50 0 EHAARO O=C(NCCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)o1 ZINC000825539289 1131277857 /nfs/dbraw/zinc/27/78/57/1131277857.db2.gz GWPPXJXAWKTNDV-UHFFFAOYSA-N 1 0 332.831 3.501 50 0 EHAARO COc1ccc(F)c(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC000011998135 1129248063 /nfs/dbraw/zinc/24/80/63/1129248063.db2.gz AYZPZOJESPSTGE-OAQYLSRUSA-N 1 0 346.490 3.922 50 0 EHAARO C[N@H+](Cc1ccsc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012278995 1129474079 /nfs/dbraw/zinc/47/40/79/1129474079.db2.gz GITDUCQXKZQGJL-GOSISDBHSA-N 1 0 328.481 3.761 50 0 EHAARO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000186935331 1129924779 /nfs/dbraw/zinc/92/47/79/1129924779.db2.gz BBQXTFYOVDVWJD-FQEVSTJZSA-N 1 0 348.450 3.828 50 0 EHAARO C/C(=C/c1ccccc1)CNc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000503906174 1130530340 /nfs/dbraw/zinc/53/03/40/1130530340.db2.gz DQKIBZODTJYWGQ-VLGSPTGOSA-N 1 0 349.478 3.590 50 0 EHAARO O=C(CCc1ccccc1F)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013022 1131414784 /nfs/dbraw/zinc/41/47/84/1131414784.db2.gz KCVWMQXESCAKGU-MRXNPFEDSA-N 1 0 346.471 3.601 50 0 EHAARO COCc1ncc(C)n1C[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000575548118 1131572031 /nfs/dbraw/zinc/57/20/31/1131572031.db2.gz GVCLURYZZKGUQU-LJQANCHMSA-N 1 0 327.472 3.559 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581808067 1132370502 /nfs/dbraw/zinc/37/05/02/1132370502.db2.gz WQQDQNVMHHUKOZ-INIZCTEOSA-N 1 0 329.488 3.888 50 0 EHAARO COc1ccc2c(c1)OCCC[C@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585081434 1136966871 /nfs/dbraw/zinc/96/68/71/1136966871.db2.gz HIFVHYIODZUWRM-GOSISDBHSA-N 1 0 337.423 3.618 50 0 EHAARO COC1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000585086700 1136982295 /nfs/dbraw/zinc/98/22/95/1136982295.db2.gz BCYUACJDMSVTDG-UHFFFAOYSA-N 1 0 327.453 3.674 50 0 EHAARO Cc1ccc([C@H]2CN(Cc3ccc(-n4ccnc4)cc3C)CCO2)o1 ZINC000192130374 1137020759 /nfs/dbraw/zinc/02/07/59/1137020759.db2.gz MNGIAXKKSADPFX-HXUWFJFHSA-N 1 0 337.423 3.656 50 0 EHAARO COc1cccc2c1CC[C@H]([NH2+]CCc1ccc(-n3cccn3)cc1)C2 ZINC000192438713 1137455783 /nfs/dbraw/zinc/45/57/83/1137455783.db2.gz WEJBCJCQHOAHSL-IBGZPJMESA-N 1 0 347.462 3.571 50 0 EHAARO c1cnn(-c2ccc(CC[NH2+][C@H]3CCCNc4ccccc43)cc2)c1 ZINC000192643751 1137456073 /nfs/dbraw/zinc/45/60/73/1137456073.db2.gz OUIIBESYRFHQDC-NRFANRHFSA-N 1 0 332.451 3.951 50 0 EHAARO c1cn(-c2ccccc2C[NH2+]Cc2ccc([C@@H]3CCCCO3)o2)cn1 ZINC000952960265 1137483690 /nfs/dbraw/zinc/48/36/90/1137483690.db2.gz VIWUQXWBGOROTE-IBGZPJMESA-N 1 0 337.423 3.997 50 0 EHAARO O=C(C[NH+]1CCCCCC1)Nc1ccc([C@H](O)c2cccs2)cc1 ZINC000952972408 1137484277 /nfs/dbraw/zinc/48/42/77/1137484277.db2.gz XJTHODFXXOOQLV-IBGZPJMESA-N 1 0 344.480 3.644 50 0 EHAARO C[NH+](C)C1(CNCc2cnc(C3CCCCC3)nc2)CCCCC1 ZINC000952975338 1137484377 /nfs/dbraw/zinc/48/43/77/1137484377.db2.gz PLEFJZCXOPRTOT-UHFFFAOYSA-N 1 0 330.520 3.878 50 0 EHAARO COc1cc(F)ccc1C[NH2+][C@@H]1CCCN(Cc2cccs2)C1 ZINC000952980780 1137484839 /nfs/dbraw/zinc/48/48/39/1137484839.db2.gz QJINNMHTBRBFQG-MRXNPFEDSA-N 1 0 334.460 3.650 50 0 EHAARO Cc1cc(F)ccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000952968030 1137485070 /nfs/dbraw/zinc/48/50/70/1137485070.db2.gz AGPQLGZDEOLYTL-UHFFFAOYSA-N 1 0 328.431 3.772 50 0 EHAARO CCC(=O)Nc1cc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)ccc1C ZINC000952990725 1137485806 /nfs/dbraw/zinc/48/58/06/1137485806.db2.gz SQUNDLKYXUGOBM-OAHLLOKOSA-N 1 0 331.460 3.547 50 0 EHAARO Cc1nc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)sc1C ZINC000187253326 1137846149 /nfs/dbraw/zinc/84/61/49/1137846149.db2.gz HNSWTPCORYFMDF-UHFFFAOYSA-N 1 0 343.496 3.694 50 0 EHAARO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC1 ZINC000052158817 214120974 /nfs/dbraw/zinc/12/09/74/214120974.db2.gz DMTCBUOGJLDBCM-UHFFFAOYSA-N 1 0 340.920 3.872 50 0 EHAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000055120172 214276131 /nfs/dbraw/zinc/27/61/31/214276131.db2.gz WTWOBQBMFGCBEW-UHFFFAOYSA-N 1 0 345.443 3.573 50 0 EHAARO CC1(C)CC(NC(=O)c2ccc(OCC3CC3)cc2)CC(C)(C)[NH2+]1 ZINC000055160478 214281525 /nfs/dbraw/zinc/28/15/25/214281525.db2.gz QKLWNSAMFQRRNK-UHFFFAOYSA-N 1 0 330.472 3.514 50 0 EHAARO CSc1ccc(CN(C(=O)[C@H]([NH3+])c2ccccc2)C2CC2)cc1 ZINC000055281483 214300503 /nfs/dbraw/zinc/30/05/03/214300503.db2.gz JMABMJDAQUMRAZ-GOSISDBHSA-N 1 0 326.465 3.600 50 0 EHAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccccc1F)C[C@H](C)O ZINC000004354116 210177773 /nfs/dbraw/zinc/17/77/73/210177773.db2.gz BYJNPYRDHROHFN-KRWDZBQOSA-N 1 0 332.463 3.904 50 0 EHAARO CC1CC[NH+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000004159352 210134967 /nfs/dbraw/zinc/13/49/67/210134967.db2.gz HLWGQPDMRUMUBC-DIGXMAGLSA-N 1 0 335.532 3.702 50 0 EHAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)CC(C)C)o1 ZINC000065962380 215002148 /nfs/dbraw/zinc/00/21/48/215002148.db2.gz PYVVFJVDNNQIKV-UHFFFAOYSA-N 1 0 326.400 3.788 50 0 EHAARO COc1nccnc1Oc1c(C)cc(C[NH+]2CCCCC2)cc1C ZINC000067694665 215187737 /nfs/dbraw/zinc/18/77/37/215187737.db2.gz QTPFACDWAOJGAU-UHFFFAOYSA-N 1 0 327.428 3.880 50 0 EHAARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3ccc(F)cc3)C2)c1C ZINC000002966254 209946797 /nfs/dbraw/zinc/94/67/97/209946797.db2.gz BBAVCEDYKXLSFJ-OAQYLSRUSA-N 1 0 339.434 3.703 50 0 EHAARO c1ccc(CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000069016242 215352394 /nfs/dbraw/zinc/35/23/94/215352394.db2.gz YMQOSZJBPMISQR-UHFFFAOYSA-N 1 0 334.423 3.554 50 0 EHAARO CCC[N@@H+]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 ZINC000069326210 215378260 /nfs/dbraw/zinc/37/82/60/215378260.db2.gz PRXGTIPRIKNXLA-UHFFFAOYSA-N 1 0 344.484 3.760 50 0 EHAARO Cn1cc(CCC[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cn1 ZINC000040151485 213273449 /nfs/dbraw/zinc/27/34/49/213273449.db2.gz ASBLJYDKZJNJLI-UHFFFAOYSA-N 1 0 341.455 3.526 50 0 EHAARO CC(C)(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000040047584 213254553 /nfs/dbraw/zinc/25/45/53/213254553.db2.gz CNNZZARNKQJCMS-HXUWFJFHSA-N 1 0 336.479 3.918 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)Nc1ccccc1Cl ZINC000038584245 213216766 /nfs/dbraw/zinc/21/67/66/213216766.db2.gz OKUMCHXKESOXCD-UHFFFAOYSA-N 1 0 347.846 3.967 50 0 EHAARO CSc1cccc(NC(=O)C[N@H+](C)CCCc2ccccc2)c1 ZINC000036395413 213097373 /nfs/dbraw/zinc/09/73/73/213097373.db2.gz JHSXMWABPBXGDW-UHFFFAOYSA-N 1 0 328.481 3.912 50 0 EHAARO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036098357 213064477 /nfs/dbraw/zinc/06/44/77/213064477.db2.gz TVOIJOLZYLXWOQ-MJGOQNOKSA-N 1 0 343.467 3.736 50 0 EHAARO CC[C@H](C)[N@@H+](Cc1ccccc1C)C[C@H](O)COCc1ccco1 ZINC000036104508 213068615 /nfs/dbraw/zinc/06/86/15/213068615.db2.gz GBOUWFLOHUVCRW-HKUYNNGSSA-N 1 0 331.456 3.766 50 0 EHAARO CCC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1C ZINC000036030893 213056262 /nfs/dbraw/zinc/05/62/62/213056262.db2.gz NPFLNQGHROXWSL-GOSISDBHSA-N 1 0 331.431 3.786 50 0 EHAARO c1ccc(CCCCNc2nc(-c3ccncc3)nc3c2C[NH2+]C3)cc1 ZINC000072121106 216013384 /nfs/dbraw/zinc/01/33/84/216013384.db2.gz YLLUAXNTESWVEJ-UHFFFAOYSA-N 1 0 345.450 3.577 50 0 EHAARO FC(F)Oc1cccc(C[NH+]2CCC(OCc3cccnc3)CC2)c1 ZINC000072132897 216022759 /nfs/dbraw/zinc/02/27/59/216022759.db2.gz JPBNFTVBDWYKMZ-UHFFFAOYSA-N 1 0 348.393 3.864 50 0 EHAARO Cc1cnn(CCC[N@@H+]2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000072150992 216039386 /nfs/dbraw/zinc/03/93/86/216039386.db2.gz HXUWWOFUZYGIHO-SFHVURJKSA-N 1 0 341.434 3.824 50 0 EHAARO COc1ccc(C[NH2+]C2CCCC2)cc1-c1cc(N)nc2[nH]ccc21 ZINC000072147910 216035846 /nfs/dbraw/zinc/03/58/46/216035846.db2.gz VCSUXQCYUMWLGY-UHFFFAOYSA-N 1 0 336.439 3.853 50 0 EHAARO Cc1ccc([C@H](C)CC[N@@H+]2CCCN(Cc3cccnc3)CC2)o1 ZINC000072155883 216045604 /nfs/dbraw/zinc/04/56/04/216045604.db2.gz JALGTKRXHSKJRT-QGZVFWFLSA-N 1 0 327.472 3.685 50 0 EHAARO O=C1Nc2ccccc2[C@@]12CCC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000072164402 216052867 /nfs/dbraw/zinc/05/28/67/216052867.db2.gz BQQGUHPTBSTXHP-NRFANRHFSA-N 1 0 331.419 3.654 50 0 EHAARO Cc1ccc(CN(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)o1 ZINC000072284230 216114508 /nfs/dbraw/zinc/11/45/08/216114508.db2.gz FWURTMOKMJBXOF-UHFFFAOYSA-N 1 0 326.396 3.668 50 0 EHAARO C[N@@H+]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C2(CCCCC2)C1 ZINC000072306719 216144247 /nfs/dbraw/zinc/14/42/47/216144247.db2.gz QRTAPUMGOPWYTE-LJQANCHMSA-N 1 0 340.511 3.974 50 0 EHAARO Cc1ncsc1CC[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000072424848 216214801 /nfs/dbraw/zinc/21/48/01/216214801.db2.gz PNGGDQZSPHEATM-UHFFFAOYSA-N 1 0 330.501 3.964 50 0 EHAARO CC[C@H](c1ccc(C)cc1C)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072476419 216254071 /nfs/dbraw/zinc/25/40/71/216254071.db2.gz SQUPFFNGXAGSIM-HXUWFJFHSA-N 1 0 349.482 3.856 50 0 EHAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccccc1OC(F)(F)F)CC2 ZINC000214991406 241098536 /nfs/dbraw/zinc/09/85/36/241098536.db2.gz HFMJURSQCFPOLH-HOCLYGCPSA-N 1 0 329.362 3.712 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cnc(N3CCCC3)s2)c1 ZINC000215194542 241112185 /nfs/dbraw/zinc/11/21/85/241112185.db2.gz QQGCAQLJIVZSKL-OAHLLOKOSA-N 1 0 330.501 3.510 50 0 EHAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000215469685 241128041 /nfs/dbraw/zinc/12/80/41/241128041.db2.gz QEWOFKPRIGHRIQ-MRXNPFEDSA-N 1 0 325.456 3.513 50 0 EHAARO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](C)Cn3ccnc3C)C2)cc1 ZINC000229970321 242219588 /nfs/dbraw/zinc/21/95/88/242219588.db2.gz VKEKHRYWWSAWLS-FRQCXROJSA-N 1 0 327.472 3.714 50 0 EHAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)s1 ZINC000229956252 242220168 /nfs/dbraw/zinc/22/01/68/242220168.db2.gz GSJLIUJTOLBUPC-LSDHHAIUSA-N 1 0 345.512 3.781 50 0 EHAARO CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000021148688 212211372 /nfs/dbraw/zinc/21/13/72/212211372.db2.gz BHBNXKDJDSNADO-IBGZPJMESA-N 1 0 344.499 3.954 50 0 EHAARO CSCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000243932306 243032562 /nfs/dbraw/zinc/03/25/62/243032562.db2.gz BUQOMAFWVHEZAH-IBGZPJMESA-N 1 0 346.540 3.643 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)CCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000244716059 243067342 /nfs/dbraw/zinc/06/73/42/243067342.db2.gz LHQFJZWKXQRGDC-GOSISDBHSA-N 1 0 339.483 3.898 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cnn1C ZINC000244748495 243074410 /nfs/dbraw/zinc/07/44/10/243074410.db2.gz OIQKKUBGSYBFDP-AWEZNQCLSA-N 1 0 326.469 3.718 50 0 EHAARO Oc1cccc(C2CC[NH+](C[C@H]3CC(c4ccccc4)=NO3)CC2)c1 ZINC000244787775 243081517 /nfs/dbraw/zinc/08/15/17/243081517.db2.gz QDNKNFSASJUKTA-HXUWFJFHSA-N 1 0 336.435 3.765 50 0 EHAARO CC[N@@H+](Cc1cc(C2CCCCC2)no1)C[C@H](O)c1cccc(O)c1 ZINC000244874361 243094736 /nfs/dbraw/zinc/09/47/36/243094736.db2.gz WZZHOMVARVEKAU-FQEVSTJZSA-N 1 0 344.455 3.983 50 0 EHAARO Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000020603339 212153033 /nfs/dbraw/zinc/15/30/33/212153033.db2.gz WIBPPNCXBNYITF-QGZVFWFLSA-N 1 0 340.471 3.686 50 0 EHAARO CC1CCN(c2nnc(-n3cccc3C[NH2+]C3CCCC3)s2)CC1 ZINC000020576362 212148925 /nfs/dbraw/zinc/14/89/25/212148925.db2.gz PACZAMHXSKKWBY-UHFFFAOYSA-N 1 0 345.516 3.597 50 0 EHAARO CCc1cccc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1 ZINC000252533016 243848355 /nfs/dbraw/zinc/84/83/55/243848355.db2.gz FSLZNKKQHFYXJW-UHFFFAOYSA-N 1 0 328.500 3.910 50 0 EHAARO CCc1ccc([C@@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440885 212128973 /nfs/dbraw/zinc/12/89/73/212128973.db2.gz JULWLWYVTQJTON-FGZHOGPDSA-N 1 0 339.479 3.573 50 0 EHAARO COc1ccc(CN2CC[NH+](C3CCCCCC3)CC2)cc1OC ZINC000019842252 212075655 /nfs/dbraw/zinc/07/56/55/212075655.db2.gz OKCBXEDQFLYJIQ-UHFFFAOYSA-N 1 0 332.488 3.544 50 0 EHAARO Clc1ccccc1-n1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000019792394 212067934 /nfs/dbraw/zinc/06/79/34/212067934.db2.gz SIPCCBYWIGGODP-KRWDZBQOSA-N 1 0 344.890 3.586 50 0 EHAARO COc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1C ZINC000019537548 212040784 /nfs/dbraw/zinc/04/07/84/212040784.db2.gz KBIYVNQGBIBVCK-RMKNXTFCSA-N 1 0 336.479 3.835 50 0 EHAARO Brc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019536133 212039939 /nfs/dbraw/zinc/03/99/39/212039939.db2.gz QWGNSKLLRWRUFB-UHFFFAOYSA-N 1 0 345.284 3.767 50 0 EHAARO CC[NH+](CC)Cc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 ZINC000019315997 212015765 /nfs/dbraw/zinc/01/57/65/212015765.db2.gz BHWHMFWDFHSWSN-UHFFFAOYSA-N 1 0 337.467 3.647 50 0 EHAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)o1 ZINC000110619640 220049058 /nfs/dbraw/zinc/04/90/58/220049058.db2.gz NPLDBIMXCMZUEE-WMLDXEAASA-N 1 0 332.469 3.771 50 0 EHAARO C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1cccs1 ZINC000089639680 217822732 /nfs/dbraw/zinc/82/27/32/217822732.db2.gz YRTWOXOMNNSTCU-CQSZACIVSA-N 1 0 335.517 3.905 50 0 EHAARO CCn1nc(C)c(C[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)c1C ZINC000012431962 211377461 /nfs/dbraw/zinc/37/74/61/211377461.db2.gz XIHCVFXMPGEIIY-UHFFFAOYSA-N 1 0 349.438 3.946 50 0 EHAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000012459316 211388612 /nfs/dbraw/zinc/38/86/12/211388612.db2.gz URKBFPYXDLNGIK-INIZCTEOSA-N 1 0 345.874 3.830 50 0 EHAARO CCC[NH+]1CCC(NCc2cccnc2Oc2ccccc2F)CC1 ZINC000012432186 211380232 /nfs/dbraw/zinc/38/02/32/211380232.db2.gz OXBQFTHWOVRQIB-UHFFFAOYSA-N 1 0 343.446 3.977 50 0 EHAARO CN(Cc1ccncc1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000012308513 211341931 /nfs/dbraw/zinc/34/19/31/211341931.db2.gz GULZGAYLUZLDOY-LJQANCHMSA-N 1 0 341.474 3.607 50 0 EHAARO C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000090086901 217915747 /nfs/dbraw/zinc/91/57/47/217915747.db2.gz FWQMHLAUCFZDGY-IAQYHMDHSA-N 1 0 326.278 3.823 50 0 EHAARO CCCCc1nc2cc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)ccc2o1 ZINC000012303493 211339494 /nfs/dbraw/zinc/33/94/94/211339494.db2.gz ICWOIDFMYKHXSF-OAHLLOKOSA-N 1 0 343.471 3.631 50 0 EHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@H]2CC=CCC2)CC1 ZINC000012208888 211319851 /nfs/dbraw/zinc/31/98/51/211319851.db2.gz WAAYBUDUCUKNEK-NRFANRHFSA-N 1 0 340.511 3.756 50 0 EHAARO CCN(CC)c1ncccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)s1 ZINC000011935625 211272699 /nfs/dbraw/zinc/27/26/99/211272699.db2.gz BYUNVQLRBGEYBX-UHFFFAOYSA-N 1 0 341.484 3.669 50 0 EHAARO Cc1ccc([C@H](Cn2cc(-c3cccc(F)c3C)nn2)[NH+](C)C)o1 ZINC000091440182 218005970 /nfs/dbraw/zinc/00/59/70/218005970.db2.gz CDHCAZBGFKVEMV-KRWDZBQOSA-N 1 0 328.391 3.597 50 0 EHAARO C[N@@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)C2=CCCC2)C1 ZINC000011843089 211256480 /nfs/dbraw/zinc/25/64/80/211256480.db2.gz PGKNGKMJJUPXEU-LJQANCHMSA-N 1 0 326.484 3.510 50 0 EHAARO O=C(c1ccc(Cl)s1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000011844458 211256080 /nfs/dbraw/zinc/25/60/80/211256080.db2.gz JAYBJGLHLIZUBX-QGZVFWFLSA-N 1 0 338.904 3.740 50 0 EHAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)cc1F ZINC000011840722 211254551 /nfs/dbraw/zinc/25/45/51/211254551.db2.gz ASOVXYWVJVZTMX-QGZVFWFLSA-N 1 0 344.405 3.976 50 0 EHAARO COCCC[C@@]1(CO)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000091678917 218046635 /nfs/dbraw/zinc/04/66/35/218046635.db2.gz UBNNXCKMYZHRJK-KRWDZBQOSA-N 1 0 345.405 3.707 50 0 EHAARO OCc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)o1 ZINC000091891842 218083444 /nfs/dbraw/zinc/08/34/44/218083444.db2.gz MKIGOAUPRPFJOY-PBHICJAKSA-N 1 0 335.469 3.702 50 0 EHAARO CCn1ccnc1C1CC[NH+](CCOc2ccc(C)c(C)c2)CC1 ZINC000091997358 218101091 /nfs/dbraw/zinc/10/10/91/218101091.db2.gz IULATESQGGQKDI-UHFFFAOYSA-N 1 0 327.472 3.778 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072087 218114087 /nfs/dbraw/zinc/11/40/87/218114087.db2.gz BWNALXXYNASRDU-KRWDZBQOSA-N 1 0 335.455 3.592 50 0 EHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3cscn3)CC2)C1 ZINC000092081315 218117093 /nfs/dbraw/zinc/11/70/93/218117093.db2.gz XSOOLSQOCWPWHD-SFHVURJKSA-N 1 0 341.524 3.845 50 0 EHAARO COc1cccc(C[NH+]2CCC(n3ccnc3)CC2)c1OC(C)C ZINC000092648828 218155454 /nfs/dbraw/zinc/15/54/54/218155454.db2.gz WKUREGWEACOWOD-UHFFFAOYSA-N 1 0 329.444 3.516 50 0 EHAARO Cc1c(C)n(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc12 ZINC000009970617 211137538 /nfs/dbraw/zinc/13/75/38/211137538.db2.gz GFPGZSQBWCDRJO-FQEVSTJZSA-N 1 0 334.463 3.677 50 0 EHAARO CCc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)nc1 ZINC000095354415 218288034 /nfs/dbraw/zinc/28/80/34/218288034.db2.gz JTCNSZIQPWQKOV-RBBKRZOGSA-N 1 0 335.495 3.740 50 0 EHAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cccs1 ZINC000008972172 211023638 /nfs/dbraw/zinc/02/36/38/211023638.db2.gz VZQOVBFSVBREAH-HNNXBMFYSA-N 1 0 325.393 3.538 50 0 EHAARO Cc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1Cl ZINC000008988620 211026428 /nfs/dbraw/zinc/02/64/28/211026428.db2.gz BWZVXNAWMWPDMS-QGZVFWFLSA-N 1 0 345.874 3.943 50 0 EHAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCNc2nc(C)nc3ncccc32)C1 ZINC000095385944 218318145 /nfs/dbraw/zinc/31/81/45/218318145.db2.gz VQJOTFBLFGOCQZ-QGZVFWFLSA-N 1 0 347.466 3.543 50 0 EHAARO C[C@H]([NH2+]Cc1cccs1)c1ccc(OCc2nccn2C)cc1 ZINC000095419351 218359427 /nfs/dbraw/zinc/35/94/27/218359427.db2.gz HBQANFMTCLKYRF-AWEZNQCLSA-N 1 0 327.453 3.911 50 0 EHAARO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C)s2)cc1 ZINC000095420461 218360710 /nfs/dbraw/zinc/36/07/10/218360710.db2.gz WXWWDIWHFNOBOZ-ZDUSSCGKSA-N 1 0 338.498 3.669 50 0 EHAARO Cc1ccccc1[C@H]([NH2+]C1CCN(C(N)=O)CC1)[C@H]1CCC[C@H](C)C1 ZINC000095967955 218472453 /nfs/dbraw/zinc/47/24/53/218472453.db2.gz MITVSPHZALDAAN-RIFZZMRRSA-N 1 0 343.515 3.995 50 0 EHAARO COc1cccc2ccc(N3CCC[C@H](C[NH+]4CCCCC4)C3)nc21 ZINC000096138950 218621604 /nfs/dbraw/zinc/62/16/04/218621604.db2.gz RXOMFHVHUWIRHZ-QGZVFWFLSA-N 1 0 339.483 3.946 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000006741572 210697512 /nfs/dbraw/zinc/69/75/12/210697512.db2.gz WQXIGIQXPCYPKH-UHFFFAOYSA-N 1 0 330.259 3.989 50 0 EHAARO C[N@H+](CCCNC(=O)c1csc2c1CCCC2)Cc1ccccc1 ZINC000005070109 210383477 /nfs/dbraw/zinc/38/34/77/210383477.db2.gz SZQFXBUCABNQFU-UHFFFAOYSA-N 1 0 342.508 3.879 50 0 EHAARO C/C=C/c1ccc(OCCOCC[N@@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000004907384 210318514 /nfs/dbraw/zinc/31/85/14/210318514.db2.gz PHCMBIKQAUYXTM-YXMMZVCTSA-N 1 0 333.472 3.856 50 0 EHAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000097232108 219000140 /nfs/dbraw/zinc/00/01/40/219000140.db2.gz IYZUBVFXRPFSIQ-QWQRMKEZSA-N 1 0 327.428 3.673 50 0 EHAARO C[C@@H](c1ccc(C(=O)NCCc2cccc(F)c2)o1)[NH+]1CCCCC1 ZINC000097402522 219022094 /nfs/dbraw/zinc/02/20/94/219022094.db2.gz AHFDJJNMZPYYDO-HNNXBMFYSA-N 1 0 344.430 3.938 50 0 EHAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000004746265 210268435 /nfs/dbraw/zinc/26/84/35/210268435.db2.gz PDLBVBBEVGPBTN-JOCHJYFZSA-N 1 0 348.490 3.792 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000241588332 258000746 /nfs/dbraw/zinc/00/07/46/258000746.db2.gz PCANGFGTSIWPAH-HZPDHXFCSA-N 1 0 333.451 3.944 50 0 EHAARO Cc1ccc2ncccc2c1CNC(=O)[C@@H](C)[N@H+](C)C1CCCCC1 ZINC000299799199 258102796 /nfs/dbraw/zinc/10/27/96/258102796.db2.gz QELSMIVOLPJIFM-MRXNPFEDSA-N 1 0 339.483 3.812 50 0 EHAARO O=C(CC[NH2+]Cc1cccc2[nH]ccc21)N1CCCc2ccccc21 ZINC000067771378 132812478 /nfs/dbraw/zinc/81/24/78/132812478.db2.gz ZKPIHSBHAPBLED-UHFFFAOYSA-N 1 0 333.435 3.627 50 0 EHAARO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000245916230 519713011 /nfs/dbraw/zinc/71/30/11/519713011.db2.gz QAALMNGLMABZJY-RCCFBDPRSA-N 1 0 345.487 3.510 50 0 EHAARO O=C(N[C@H]1CCCC[C@H]1OCc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC000154120099 534801471 /nfs/dbraw/zinc/80/14/71/534801471.db2.gz DROOHWFDVFYMSY-VQTJNVASSA-N 1 0 349.434 3.592 50 0 EHAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccncc3Cl)C2)c1OC ZINC000216024082 537138582 /nfs/dbraw/zinc/13/85/82/537138582.db2.gz HQFMQHHOFNXAFS-CYBMUJFWSA-N 1 0 332.831 3.742 50 0 EHAARO C[N@@H+]1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000000038313 563212305 /nfs/dbraw/zinc/21/23/05/563212305.db2.gz PUTHMEDLACMYEX-UHFFFAOYSA-N 1 0 342.443 3.639 50 0 EHAARO Cc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000000207677 563260004 /nfs/dbraw/zinc/26/00/04/563260004.db2.gz AUSFMDDRBWEVRK-UHFFFAOYSA-N 1 0 349.522 3.782 50 0 EHAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000000350500 563288976 /nfs/dbraw/zinc/28/89/76/563288976.db2.gz GBBGYHUYRLONBJ-FQEVSTJZSA-N 1 0 339.479 3.916 50 0 EHAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1 ZINC000000359789 563292900 /nfs/dbraw/zinc/29/29/00/563292900.db2.gz CFEUROWWZCUQDW-UHFFFAOYSA-N 1 0 334.419 3.959 50 0 EHAARO CC1CCC2(CC1)NCC[NH+]=C2NCc1ccc(C(F)(F)F)cc1 ZINC000046153081 563362282 /nfs/dbraw/zinc/36/22/82/563362282.db2.gz HEDQSVZOHIWFHQ-UHFFFAOYSA-N 1 0 339.405 3.746 50 0 EHAARO CCCCn1c(C)c(C(=O)OCC)c2cc(OCC[NH+](C)C)ccc21 ZINC000002247810 563428065 /nfs/dbraw/zinc/42/80/65/563428065.db2.gz UOJQMCCVCJDGJA-UHFFFAOYSA-N 1 0 346.471 3.867 50 0 EHAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034683016 563450538 /nfs/dbraw/zinc/45/05/38/563450538.db2.gz BPHMKTIMNSKBQT-UHFFFAOYSA-N 1 0 337.467 3.798 50 0 EHAARO Cc1nn2c(nc(C)cc2NCC[NH+](C)C)c1-c1ccccc1Cl ZINC000005245710 563524092 /nfs/dbraw/zinc/52/40/92/563524092.db2.gz SDEVVMZTSPOVOR-UHFFFAOYSA-N 1 0 343.862 3.640 50 0 EHAARO CC(=O)c1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2)C(C)C)cc1 ZINC000005498146 563535387 /nfs/dbraw/zinc/53/53/87/563535387.db2.gz AMABLECQHVLNJT-FQEVSTJZSA-N 1 0 341.451 3.540 50 0 EHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)cc1 ZINC000012592725 563664613 /nfs/dbraw/zinc/66/46/13/563664613.db2.gz YHXYWCYPZDGLDG-IBGZPJMESA-N 1 0 342.414 3.689 50 0 EHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)cc1 ZINC000012592721 563664720 /nfs/dbraw/zinc/66/47/20/563664720.db2.gz YHXYWCYPZDGLDG-LJQANCHMSA-N 1 0 342.414 3.689 50 0 EHAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H]3CCc4ccccc43)nc(=O)c2c1C ZINC000014158752 563745616 /nfs/dbraw/zinc/74/56/16/563745616.db2.gz UANIRZWBPZCKLM-XHDPSFHLSA-N 1 0 339.464 3.940 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1cn(C)c2ccccc12)c1ccccc1 ZINC000032819100 563757134 /nfs/dbraw/zinc/75/71/34/563757134.db2.gz IBEINYRDUCMRAK-OAQYLSRUSA-N 1 0 349.478 3.991 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@H](C(=O)c3cccc4ccccc43)C2)cnn1C ZINC000015066067 563775221 /nfs/dbraw/zinc/77/52/21/563775221.db2.gz ITRAQJQOSKMRFZ-SFHVURJKSA-N 1 0 347.462 3.977 50 0 EHAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000032900927 563787272 /nfs/dbraw/zinc/78/72/72/563787272.db2.gz MCZFPJDYVBRAGS-CQSZACIVSA-N 1 0 340.402 3.574 50 0 EHAARO Cc1cccc(N2C[C@@](O)(c3cccs3)[N+]3=C2CCCCC3)c1 ZINC000015953387 563800804 /nfs/dbraw/zinc/80/08/04/563800804.db2.gz INNSVYIRICOVGC-LJQANCHMSA-N 1 0 327.473 3.707 50 0 EHAARO COc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1OC ZINC000015953104 563800826 /nfs/dbraw/zinc/80/08/26/563800826.db2.gz HRBFDYFBFZLMHL-UHFFFAOYSA-N 1 0 339.440 3.555 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000032911533 563804288 /nfs/dbraw/zinc/80/42/88/563804288.db2.gz IPAAJEWADDZFJU-MRXNPFEDSA-N 1 0 328.843 3.734 50 0 EHAARO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000020538697 563859438 /nfs/dbraw/zinc/85/94/38/563859438.db2.gz RJWOSVQCFNIABQ-QFIPXVFZSA-N 1 0 349.522 3.782 50 0 EHAARO Cc1cccc(-c2cccc(N3CCC([NH2+]Cc4nnc[nH]4)CC3)c2)c1 ZINC000020601215 563859770 /nfs/dbraw/zinc/85/97/70/563859770.db2.gz GYXDBEFXBUZLCO-UHFFFAOYSA-N 1 0 347.466 3.539 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccccc2Cn2cccn2)c(Cl)c1 ZINC000024754399 563875082 /nfs/dbraw/zinc/87/50/82/563875082.db2.gz CLRLQEAXJFJXQX-UHFFFAOYSA-N 1 0 341.842 3.883 50 0 EHAARO O=C(Nc1cccc2c[nH]nc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000025585596 563886441 /nfs/dbraw/zinc/88/64/41/563886441.db2.gz RDFJTMAXTKXZFC-UHFFFAOYSA-N 1 0 334.423 3.801 50 0 EHAARO O=C(Cc1ccccc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027661950 563898103 /nfs/dbraw/zinc/89/81/03/563898103.db2.gz PNYZEXAQIHWYCB-IBGZPJMESA-N 1 0 342.870 3.836 50 0 EHAARO COc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000028292006 563902169 /nfs/dbraw/zinc/90/21/69/563902169.db2.gz RUHJCNAAGSGSFP-IBGZPJMESA-N 1 0 338.451 3.652 50 0 EHAARO O=C(CC[N@H+]1CCC[C@@H](C(F)(F)F)C1)Nc1ccc2c(c1)CCC2 ZINC000028852751 563904259 /nfs/dbraw/zinc/90/42/59/563904259.db2.gz XFAYMAAMZVWCQF-OAHLLOKOSA-N 1 0 340.389 3.778 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)CCCC2 ZINC000029839912 563908693 /nfs/dbraw/zinc/90/86/93/563908693.db2.gz NRTCBFHJTYMNIS-UHFFFAOYSA-N 1 0 348.490 3.744 50 0 EHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(OC)cc2OC)cc1 ZINC000004986639 563919012 /nfs/dbraw/zinc/91/90/12/563919012.db2.gz FYPPFUQKKVLZNH-HNNXBMFYSA-N 1 0 329.440 3.823 50 0 EHAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc4ccccc43)C2=O)cc1 ZINC000005112802 563919248 /nfs/dbraw/zinc/91/92/48/563919248.db2.gz XFQSGMXUPVRKDU-FQEVSTJZSA-N 1 0 344.414 3.570 50 0 EHAARO O=C1OCCN1CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000058378490 563944271 /nfs/dbraw/zinc/94/42/71/563944271.db2.gz PELKPFJEFXXJAH-OAHLLOKOSA-N 1 0 345.468 3.666 50 0 EHAARO Cc1cccn2cc(-c3ccc(NC(=O)C[N@@H+](C)C(C)C)cc3)nc12 ZINC000058415863 563945419 /nfs/dbraw/zinc/94/54/19/563945419.db2.gz UVEDNCVOBNFQOT-UHFFFAOYSA-N 1 0 336.439 3.588 50 0 EHAARO O=C(C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1)NC1CCCCCC1 ZINC000058430094 563946202 /nfs/dbraw/zinc/94/62/02/563946202.db2.gz OKAQKYNEBASSJN-LJQANCHMSA-N 1 0 332.463 3.672 50 0 EHAARO CCCc1sc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1CC ZINC000058918755 563947353 /nfs/dbraw/zinc/94/73/53/563947353.db2.gz BYSWLBMDOWGJRL-INIZCTEOSA-N 1 0 334.529 3.963 50 0 EHAARO COc1ccc(C(=O)C2CC[NH+](CCc3scnc3C)CC2)cc1 ZINC000096414819 563951034 /nfs/dbraw/zinc/95/10/34/563951034.db2.gz CEJXEJSNWUPHCR-UHFFFAOYSA-N 1 0 344.480 3.598 50 0 EHAARO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)c(F)c1 ZINC000096423799 563951881 /nfs/dbraw/zinc/95/18/81/563951881.db2.gz GNLRJGWCWFPPOL-AWEZNQCLSA-N 1 0 345.418 3.530 50 0 EHAARO CCCn1cnnc1C1CC[NH+](Cc2c(C)[nH]c3ccccc32)CC1 ZINC000097945005 563956688 /nfs/dbraw/zinc/95/66/88/563956688.db2.gz SQYDUISDLCIPCF-UHFFFAOYSA-N 1 0 337.471 3.857 50 0 EHAARO CCCn1nc(C)cc1NC(=O)c1cccc(C[N@@H+]2CCC[C@H]2C)c1 ZINC000065370102 563958340 /nfs/dbraw/zinc/95/83/40/563958340.db2.gz JRCZOOHMGMZUJW-MRXNPFEDSA-N 1 0 340.471 3.838 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000065381296 563959044 /nfs/dbraw/zinc/95/90/44/563959044.db2.gz TVNWTKGGILLMTJ-NEFAXPCMSA-N 1 0 326.484 3.731 50 0 EHAARO CNc1ncccc1C[N@@H+]1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065435752 563960894 /nfs/dbraw/zinc/96/08/94/563960894.db2.gz BKXPXNZVSYULPV-SFHVURJKSA-N 1 0 345.450 3.570 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]Cc2ccc(OCc3ccccn3)cc2)c(C)n1 ZINC000097016559 563966713 /nfs/dbraw/zinc/96/67/13/563966713.db2.gz OOVCQIKAKAFHKG-HNNXBMFYSA-N 1 0 348.450 3.918 50 0 EHAARO Cc1csc2nc(C[N@@H+](Cc3ccccc3)CC(C)C)cc(=O)n12 ZINC000033268791 563967542 /nfs/dbraw/zinc/96/75/42/563967542.db2.gz KAEKUHAFBMKMMW-UHFFFAOYSA-N 1 0 341.480 3.723 50 0 EHAARO O=C1CCCN1CCC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000077393291 563969369 /nfs/dbraw/zinc/96/93/69/563969369.db2.gz YFBKMILZUKERIZ-UHFFFAOYSA-N 1 0 338.854 3.704 50 0 EHAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2F)c1 ZINC000077393277 563969381 /nfs/dbraw/zinc/96/93/81/563969381.db2.gz QIAWJWCWKGDFKL-KRWDZBQOSA-N 1 0 331.435 3.793 50 0 EHAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2F)o1 ZINC000077423770 563969595 /nfs/dbraw/zinc/96/95/95/563969595.db2.gz MOULZAQAXCPWQB-MRXNPFEDSA-N 1 0 344.430 3.966 50 0 EHAARO Cc1nc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c(C)o1 ZINC000077452262 563969698 /nfs/dbraw/zinc/96/96/98/563969698.db2.gz DEDYOLFSRNRYES-SFHVURJKSA-N 1 0 341.455 3.720 50 0 EHAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CCc2nccn2C)c(F)c1 ZINC000077540524 563970300 /nfs/dbraw/zinc/97/03/00/563970300.db2.gz MARAINZZCGTDEY-INIZCTEOSA-N 1 0 331.435 3.555 50 0 EHAARO Fc1ccc(Cl)cc1C[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000097229644 563970641 /nfs/dbraw/zinc/97/06/41/563970641.db2.gz MWJFCBQTQVFAAC-UHFFFAOYSA-N 1 0 339.867 3.690 50 0 EHAARO O=C1Nc2ccccc2NC12CC[NH+](CCC1CCCCC1)CC2 ZINC000082114645 563972390 /nfs/dbraw/zinc/97/23/90/563972390.db2.gz KMAQJRGJGRZFOY-UHFFFAOYSA-N 1 0 327.472 3.856 50 0 EHAARO C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)C[N@H+](CCC)CC3)cc1 ZINC000033287217 563973002 /nfs/dbraw/zinc/97/30/02/563973002.db2.gz ITWQZAUHALRWEI-UHFFFAOYSA-N 1 0 341.480 3.886 50 0 EHAARO Cc1cc[nH+]c(NC[C@@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)c1 ZINC000097200775 563973250 /nfs/dbraw/zinc/97/32/50/563973250.db2.gz DAJZCBVPJQMXRR-HNNXBMFYSA-N 1 0 328.460 3.610 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000000299298 563990350 /nfs/dbraw/zinc/99/03/50/563990350.db2.gz DGTBOGISTXLCLJ-UHFFFAOYSA-N 1 0 336.479 3.866 50 0 EHAARO CC(C)[C@H](NC(=O)C[N@H+](C[C@H]1CCCCO1)C(C)C)c1ccccc1 ZINC000252477187 563997632 /nfs/dbraw/zinc/99/76/32/563997632.db2.gz JUNVXFXTRZOKNV-CTNGQTDRSA-N 1 0 346.515 3.779 50 0 EHAARO O=C1Nc2ccc(F)cc2[C@]12CC[NH2+][C@H]2c1ccc(F)c(Cl)c1 ZINC000061718725 564000403 /nfs/dbraw/zinc/00/04/03/564000403.db2.gz SFSASMOUQJJOHM-RDJZCZTQSA-N 1 0 334.753 3.543 50 0 EHAARO Cc1cc(O)ccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000156580871 564009117 /nfs/dbraw/zinc/00/91/17/564009117.db2.gz UJNQISHQQZMCLX-UHFFFAOYSA-N 1 0 338.451 3.941 50 0 EHAARO O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046997533 564025634 /nfs/dbraw/zinc/02/56/34/564025634.db2.gz BLQCGCFSMRRQPV-FCHUYYIVSA-N 1 0 348.490 3.952 50 0 EHAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000107504449 564026951 /nfs/dbraw/zinc/02/69/51/564026951.db2.gz STHVDXLEQPUMKF-HSMVNMDESA-N 1 0 328.378 3.613 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)s2)o1 ZINC000108495164 564028340 /nfs/dbraw/zinc/02/83/40/564028340.db2.gz ZCDSMADWMXFSFS-GXTWGEPZSA-N 1 0 332.469 3.871 50 0 EHAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000048324673 564030953 /nfs/dbraw/zinc/03/09/53/564030953.db2.gz VVPOMHSNSMJCJW-PKOBYXMFSA-N 1 0 330.472 3.623 50 0 EHAARO COc1cc(C[NH2+]Cc2c(C)cc(C)cc2C)cc(OC)c1OC ZINC000048354783 564031332 /nfs/dbraw/zinc/03/13/32/564031332.db2.gz DALGTJASIVFOPB-UHFFFAOYSA-N 1 0 329.440 3.927 50 0 EHAARO CCSc1ccc([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236945572 564033303 /nfs/dbraw/zinc/03/33/03/564033303.db2.gz VKHSGCHTBALZNY-ZBSSRIJBSA-N 1 0 332.513 3.897 50 0 EHAARO CSc1ccc(CC(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cc1 ZINC000220726022 564036009 /nfs/dbraw/zinc/03/60/09/564036009.db2.gz MYAGOTRIWSQVBX-UHFFFAOYSA-N 1 0 346.540 3.818 50 0 EHAARO CN(C[C@]1(C)CC[N@H+](C)C1)C(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000221290453 564036132 /nfs/dbraw/zinc/03/61/32/564036132.db2.gz PVUQOVLTQOOSAB-OAQYLSRUSA-N 1 0 340.442 3.907 50 0 EHAARO Cc1cc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)c2ccccc2[nH+]1 ZINC000223460924 564040137 /nfs/dbraw/zinc/04/01/37/564040137.db2.gz NQAFIWZEGAEZHQ-TZIWHRDSSA-N 1 0 349.434 3.724 50 0 EHAARO COc1cc(F)cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000225338345 564046070 /nfs/dbraw/zinc/04/60/70/564046070.db2.gz AJUZAFKKMUURQP-IFXJQAMLSA-N 1 0 329.419 3.552 50 0 EHAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000240668599 564051775 /nfs/dbraw/zinc/05/17/75/564051775.db2.gz HNTAMMHWESLTDX-LLVKDONJSA-N 1 0 330.379 3.504 50 0 EHAARO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000241644253 564052059 /nfs/dbraw/zinc/05/20/59/564052059.db2.gz PPOCVNLBPKXWPS-JVPBZIDWSA-N 1 0 329.465 3.639 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000005788455 564052149 /nfs/dbraw/zinc/05/21/49/564052149.db2.gz VDGSGEDIQNWBAS-VVHWVUDUSA-N 1 0 335.532 3.845 50 0 EHAARO COc1ccnc(C[N@@H+]2CCC[C@@H](COc3ccccc3F)C2)c1 ZINC000252503716 564053562 /nfs/dbraw/zinc/05/35/62/564053562.db2.gz VFZVKARQTXLJJK-OAHLLOKOSA-N 1 0 330.403 3.520 50 0 EHAARO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000182335628 564056079 /nfs/dbraw/zinc/05/60/79/564056079.db2.gz QSVKMVFDBTYQCD-CYBMUJFWSA-N 1 0 337.872 3.984 50 0 EHAARO COc1ccc2c(c1)[C@](O)(CCC[NH+](C)C)c1ccccc1S2 ZINC000001999517 564058126 /nfs/dbraw/zinc/05/81/26/564058126.db2.gz LAYVFLWAVIGDLK-IBGZPJMESA-N 1 0 329.465 3.738 50 0 in-man EHAARO CCOc1ccc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CCCC2)cc1 ZINC000534655208 564061440 /nfs/dbraw/zinc/06/14/40/564061440.db2.gz AMEUOCWGPSAMJD-INIZCTEOSA-N 1 0 347.503 3.662 50 0 EHAARO CC[C@@H](CNC(=O)N(Cc1ccc(C)s1)C1CCCC1)[NH+](C)C ZINC000534660330 564061497 /nfs/dbraw/zinc/06/14/97/564061497.db2.gz HPCSJTLEHDXDLO-HNNXBMFYSA-N 1 0 337.533 3.851 50 0 EHAARO CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])S[C@@H]1c1ccccc1 ZINC000001410008 564065343 /nfs/dbraw/zinc/06/53/43/564065343.db2.gz ITRWJIDZLCGWHP-QGZVFWFLSA-N 1 0 338.432 3.764 50 0 EHAARO Cc1noc(C)c1C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084134909 564066867 /nfs/dbraw/zinc/06/68/67/564066867.db2.gz FTZCDFNUOAGYFK-SFHVURJKSA-N 1 0 326.396 3.620 50 0 EHAARO Brc1cc2cccnc2c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000084493622 564068280 /nfs/dbraw/zinc/06/82/80/564068280.db2.gz AFZSVMZLIRHXPX-KRWDZBQOSA-N 1 0 347.256 3.610 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000084736353 564069953 /nfs/dbraw/zinc/06/99/53/564069953.db2.gz RFTVJQRNFQUCJX-FXAWDEMLSA-N 1 0 339.483 3.608 50 0 EHAARO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCCc2occc21)c1ccccc1 ZINC000084771153 564070129 /nfs/dbraw/zinc/07/01/29/564070129.db2.gz GDKXGTXTHQUTMN-IEBWSBKVSA-N 1 0 326.440 3.856 50 0 EHAARO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000015831694 564075926 /nfs/dbraw/zinc/07/59/26/564075926.db2.gz WGRQMMDUBANGTF-QGZVFWFLSA-N 1 0 341.430 3.512 50 0 EHAARO CSc1ccc(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000012918596 564078123 /nfs/dbraw/zinc/07/81/23/564078123.db2.gz FQLXDROWCVMBLU-UHFFFAOYSA-N 1 0 326.465 3.825 50 0 EHAARO COC(=O)C(C)(C)C(C)(C)[NH2+]Cc1cccc(Br)c1 ZINC000075108078 564080211 /nfs/dbraw/zinc/08/02/11/564080211.db2.gz XZBZJTSYFGZZSR-UHFFFAOYSA-N 1 0 328.250 3.517 50 0 EHAARO C[C@@H](CCNC(=O)CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000237559300 564083225 /nfs/dbraw/zinc/08/32/25/564083225.db2.gz YVXDITRPHOEUCW-ZDUSSCGKSA-N 1 0 342.405 3.705 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000090667987 564085817 /nfs/dbraw/zinc/08/58/17/564085817.db2.gz KSXPNQOIEYQLMH-IAGOWNOFSA-N 1 0 339.483 3.966 50 0 EHAARO COc1ccc(-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1 ZINC000001776894 564087521 /nfs/dbraw/zinc/08/75/21/564087521.db2.gz MIZYLCBOZXMRKC-UHFFFAOYSA-N 1 0 336.439 3.669 50 0 EHAARO Cc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000075612281 564089890 /nfs/dbraw/zinc/08/98/90/564089890.db2.gz NLUUQHRCYDBOCG-CJNGLKHVSA-N 1 0 337.427 3.709 50 0 EHAARO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2nc3ccccc3n2C(C)C)CC[N@@H+]1C ZINC000521396278 564090915 /nfs/dbraw/zinc/09/09/15/564090915.db2.gz GVUMLVCVGHLFCL-YQQAZPJKSA-N 1 0 342.487 3.525 50 0 EHAARO CC(C)(C)C(=O)c1ccsc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192559699 564091112 /nfs/dbraw/zinc/09/11/12/564091112.db2.gz MJTKXFKSWPCSHF-UHFFFAOYSA-N 1 0 334.485 3.790 50 0 EHAARO O=C(Cc1c[nH]c2ncccc12)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000155923517 564098811 /nfs/dbraw/zinc/09/88/11/564098811.db2.gz JERDWJXPDRBDFS-UHFFFAOYSA-N 1 0 348.450 3.730 50 0 EHAARO CC(C)c1ccc2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)[nH]c2c1 ZINC000065537162 564107220 /nfs/dbraw/zinc/10/72/20/564107220.db2.gz UUWJEAJXHYDIMA-KRWDZBQOSA-N 1 0 325.456 3.602 50 0 EHAARO O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000065547902 564107369 /nfs/dbraw/zinc/10/73/69/564107369.db2.gz VQUNVQLNOLXKCZ-GFCCVEGCSA-N 1 0 341.377 3.586 50 0 EHAARO C[C@H](NC(=O)CCc1cc(F)ccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000170597978 564109192 /nfs/dbraw/zinc/10/91/92/564109192.db2.gz XSYMRUPHKAAUKN-VBKZILBWSA-N 1 0 346.421 3.705 50 0 EHAARO Cc1nccn1CCC[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000089643229 564112865 /nfs/dbraw/zinc/11/28/65/564112865.db2.gz CKAWCLHJSPMERY-UHFFFAOYSA-N 1 0 327.472 3.742 50 0 EHAARO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000076016646 564114301 /nfs/dbraw/zinc/11/43/01/564114301.db2.gz YTTLJFIEHCVIJE-KYJSFNMBSA-N 1 0 334.504 3.818 50 0 EHAARO COc1cc([C@H](C)[NH2+]Cc2ccnn2C)ccc1SC(F)F ZINC000089904738 564115010 /nfs/dbraw/zinc/11/50/10/564115010.db2.gz UOICUNUGMNSVSJ-JTQLQIEISA-N 1 0 327.400 3.594 50 0 EHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000089905474 564115080 /nfs/dbraw/zinc/11/50/80/564115080.db2.gz HMKFKASBVMNXAW-JTSKRJEESA-N 1 0 348.490 3.670 50 0 EHAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000089948817 564115749 /nfs/dbraw/zinc/11/57/49/564115749.db2.gz RHYKOAFQTFDUDX-WBMJQRKESA-N 1 0 346.368 3.581 50 0 EHAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000089948990 564115778 /nfs/dbraw/zinc/11/57/78/564115778.db2.gz YOUDPAZFSBIHNO-UWJYYQICSA-N 1 0 340.467 3.585 50 0 EHAARO CSC1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000090113822 564116275 /nfs/dbraw/zinc/11/62/75/564116275.db2.gz PREGHAZMVIVDPM-AWEZNQCLSA-N 1 0 327.490 3.864 50 0 EHAARO COC(=O)c1ccc(OCCCC[N@H+](C)Cc2ccccc2)cc1 ZINC000002822260 564116939 /nfs/dbraw/zinc/11/69/39/564116939.db2.gz PMCQJXAADVRAQY-UHFFFAOYSA-N 1 0 327.424 3.764 50 0 EHAARO CC[S@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000252487145 564119391 /nfs/dbraw/zinc/11/93/91/564119391.db2.gz SNRAKAZNSPVVCI-IUMUCNKYSA-N 1 0 327.465 3.565 50 0 EHAARO COc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1O ZINC000194975078 564122658 /nfs/dbraw/zinc/12/26/58/564122658.db2.gz BJSRJEHXIYXLDE-UHFFFAOYSA-N 1 0 343.267 3.718 50 0 EHAARO Cc1noc(-c2cccnc2NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000195531006 564123612 /nfs/dbraw/zinc/12/36/12/564123612.db2.gz ZQBWPNMKUBMWTB-UHFFFAOYSA-N 1 0 349.438 3.648 50 0 EHAARO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccccc3)o2)CN1 ZINC000195556515 564123798 /nfs/dbraw/zinc/12/37/98/564123798.db2.gz KAAQNURZZMGKBH-CRAIPNDOSA-N 1 0 340.423 3.563 50 0 EHAARO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000195570239 564123924 /nfs/dbraw/zinc/12/39/24/564123924.db2.gz HBITYSSQIWZHBW-AWEZNQCLSA-N 1 0 349.450 3.563 50 0 EHAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000252679911 564124906 /nfs/dbraw/zinc/12/49/06/564124906.db2.gz SWOJKJVUWHYUIQ-NSHGMRRFSA-N 1 0 328.500 3.873 50 0 EHAARO Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000253404245 564130632 /nfs/dbraw/zinc/13/06/32/564130632.db2.gz HUZLIYATALGNAC-OAHLLOKOSA-N 1 0 343.320 3.698 50 0 EHAARO C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@H](n2cncn2)C1 ZINC000225407776 564134499 /nfs/dbraw/zinc/13/44/99/564134499.db2.gz KPOIHDIQELUXBK-ZTFGCOKTSA-N 1 0 344.890 3.983 50 0 EHAARO O=C(c1nc(-c2ccccc2)cs1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328586436 564136507 /nfs/dbraw/zinc/13/65/07/564136507.db2.gz VSBGGUFNKORULQ-MRXNPFEDSA-N 1 0 341.480 3.511 50 0 EHAARO CCc1cccc2c(C3CC[NH+](CCN4CCCC4=O)CC3)c[nH]c21 ZINC000124996645 564139172 /nfs/dbraw/zinc/13/91/72/564139172.db2.gz YIXBANRJDNMWGR-UHFFFAOYSA-N 1 0 339.483 3.532 50 0 EHAARO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000095462832 564140886 /nfs/dbraw/zinc/14/08/86/564140886.db2.gz UGQFKQZCGJOCJM-BGTYHANMSA-N 1 0 348.487 3.534 50 0 EHAARO COc1cc([C@@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)ccc1SC(F)F ZINC000095943527 564142099 /nfs/dbraw/zinc/14/20/99/564142099.db2.gz OTINHPAYJVNOAH-ZYHUDNBSSA-N 1 0 347.427 3.812 50 0 EHAARO C[NH+](C)C1(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)CCCC1 ZINC000095953868 564142447 /nfs/dbraw/zinc/14/24/47/564142447.db2.gz WLPRWUSRBPPISZ-UHFFFAOYSA-N 1 0 335.451 3.925 50 0 EHAARO COc1ccc([C@@H]2[C@H](CN[C@H](C)c3ccc(F)cn3)CC[N@@H+]2C)cc1 ZINC000095983382 564143784 /nfs/dbraw/zinc/14/37/84/564143784.db2.gz UEJVSQZGWMLIJN-PTSWNOGYSA-N 1 0 343.446 3.573 50 0 EHAARO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000095987836 564143977 /nfs/dbraw/zinc/14/39/77/564143977.db2.gz PLGWZWRMQMORKO-CYBMUJFWSA-N 1 0 336.863 3.584 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)/C=C\c2ccsc2)CC1 ZINC000096257388 564146198 /nfs/dbraw/zinc/14/61/98/564146198.db2.gz DNLFVHKUWNJZBM-SREVYHEPSA-N 1 0 341.480 3.906 50 0 EHAARO CC/C=C(\C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096413974 564147672 /nfs/dbraw/zinc/14/76/72/564147672.db2.gz QQVBDCJVUJECHN-OMCISZLKSA-N 1 0 329.488 3.759 50 0 EHAARO C[C@@H]([NH2+]Cc1cc(F)ccc1CS(C)(=O)=O)[C@@H](C)c1ccccc1 ZINC000096479115 564148540 /nfs/dbraw/zinc/14/85/40/564148540.db2.gz BMYRUTKYFILLAD-HUUCEWRRSA-N 1 0 349.471 3.652 50 0 EHAARO C[C@H]([NH2+]CC(C)(C)CC1CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000096479387 564148579 /nfs/dbraw/zinc/14/85/79/564148579.db2.gz CLQQOUIGXYXFAG-NPMXOYFQSA-N 1 0 337.529 3.918 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)n2)cc1F ZINC000161712970 564149746 /nfs/dbraw/zinc/14/97/46/564149746.db2.gz MSJCVOPCEJESFM-SNVBAGLBSA-N 1 0 339.208 3.843 50 0 EHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(Br)o1 ZINC000225575626 564149769 /nfs/dbraw/zinc/14/97/69/564149769.db2.gz ZQJAPQQLPMUXIK-MXWKQRLJSA-N 1 0 328.206 3.798 50 0 EHAARO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)c1 ZINC000057024237 564153209 /nfs/dbraw/zinc/15/32/09/564153209.db2.gz LICCBYYCFOWXFY-UXHICEINSA-N 1 0 338.451 3.752 50 0 EHAARO CC(=O)c1oc2ccccc2c1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057335878 564153613 /nfs/dbraw/zinc/15/36/13/564153613.db2.gz JCJPFLMMAQHWEU-ZDUSSCGKSA-N 1 0 336.391 3.925 50 0 EHAARO Cc1ccn2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000002960760 564153792 /nfs/dbraw/zinc/15/37/92/564153792.db2.gz ZCNDEYIYLZUECV-UHFFFAOYSA-N 1 0 333.313 3.592 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)c2ccc(O)cc2o1 ZINC000057389524 564153876 /nfs/dbraw/zinc/15/38/76/564153876.db2.gz VBPUYLZYGARCGT-OAHLLOKOSA-N 1 0 327.405 3.897 50 0 EHAARO Cc1occc1C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000057586254 564155109 /nfs/dbraw/zinc/15/51/09/564155109.db2.gz ZXSNPQNOTHYVSU-HZPDHXFCSA-N 1 0 340.467 3.996 50 0 EHAARO CCC[NH+](CCC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003179505 564155719 /nfs/dbraw/zinc/15/57/19/564155719.db2.gz IPCDJMHCUSAOOJ-UHFFFAOYSA-N 1 0 346.924 3.519 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)nc2sccn21 ZINC000057871932 564156332 /nfs/dbraw/zinc/15/63/32/564156332.db2.gz DHJCGCTXRYBIIS-MRXNPFEDSA-N 1 0 331.485 3.691 50 0 EHAARO Cc1ccn2cc(C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)nc2c1 ZINC000031620770 564159596 /nfs/dbraw/zinc/15/95/96/564159596.db2.gz DHKWYHYTDBPPCL-UHFFFAOYSA-N 1 0 348.450 3.881 50 0 EHAARO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c2ccccc2n1 ZINC000008075727 564162556 /nfs/dbraw/zinc/16/25/56/564162556.db2.gz JPMBNQWHLCSJGA-IBGZPJMESA-N 1 0 349.434 3.703 50 0 EHAARO CCc1oc2ccccc2c1C[NH+]1CCC(O)(c2ccccn2)CC1 ZINC000670467220 564162642 /nfs/dbraw/zinc/16/26/42/564162642.db2.gz MZPJEZVRKPIVRR-UHFFFAOYSA-N 1 0 336.435 3.874 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)[C@@H](C)n1cccn1 ZINC000069414449 564169224 /nfs/dbraw/zinc/16/92/24/564169224.db2.gz HUALFRVBHMUZGI-IAGOWNOFSA-N 1 0 336.439 3.596 50 0 EHAARO CCCCOc1cccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)c1 ZINC000069512238 564170009 /nfs/dbraw/zinc/17/00/09/564170009.db2.gz KBCPMGNUDPXDGW-UHFFFAOYSA-N 1 0 336.439 3.940 50 0 EHAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)c1 ZINC000069659328 564171259 /nfs/dbraw/zinc/17/12/59/564171259.db2.gz DAISLJGRSFGHHU-OLZOCXBDSA-N 1 0 330.457 3.956 50 0 EHAARO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1Cl ZINC000069743697 564171932 /nfs/dbraw/zinc/17/19/32/564171932.db2.gz NFRBIFOYKWPXFF-QGZVFWFLSA-N 1 0 342.870 3.634 50 0 EHAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2nc(-c3ccco3)oc2C)n1 ZINC000070004181 564173241 /nfs/dbraw/zinc/17/32/41/564173241.db2.gz BYDIHHBSBVACLI-MRXNPFEDSA-N 1 0 340.427 3.721 50 0 EHAARO O=C(c1ccccn1)N1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000071841970 564175883 /nfs/dbraw/zinc/17/58/83/564175883.db2.gz SERBAIDFBWKPPS-OAQYLSRUSA-N 1 0 349.478 3.598 50 0 EHAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000071878771 564176326 /nfs/dbraw/zinc/17/63/26/564176326.db2.gz CWOJQBHTIBLETN-LJQANCHMSA-N 1 0 335.455 3.560 50 0 EHAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000169781498 1032645164 /nfs/dbraw/zinc/64/51/64/1032645164.db2.gz SCHRVDPDUUGFJM-HNNXBMFYSA-N 1 0 338.854 3.560 50 0 EHAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000169781494 1032646272 /nfs/dbraw/zinc/64/62/72/1032646272.db2.gz YZQOTNDMERVXHR-HNNXBMFYSA-N 1 0 338.854 3.560 50 0 EHAARO Cc1cnc(C[C@@H]2CCC[N@H+](Cc3scnc3C)C2)n1C(C)C ZINC000169788073 1032653193 /nfs/dbraw/zinc/65/31/93/1032653193.db2.gz TWNHZGPOBJHDGS-INIZCTEOSA-N 1 0 332.517 3.992 50 0 EHAARO O=C(CC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1)N1CCCC1 ZINC000255156757 1018404889 /nfs/dbraw/zinc/40/48/89/1018404889.db2.gz JQQRQORCKAEQQG-ARJAWSKDSA-N 1 0 330.447 3.563 50 0 EHAARO CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261937866 1021485266 /nfs/dbraw/zinc/48/52/66/1021485266.db2.gz WZNYFQZZIMAVKZ-SFHVURJKSA-N 1 0 346.515 3.585 50 0 EHAARO COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 ZINC000599297461 1028734974 /nfs/dbraw/zinc/73/49/74/1028734974.db2.gz RBNCVXJVJPYDED-KRWDZBQOSA-N 1 0 340.423 3.910 50 0 EHAARO Fc1ccccc1COc1ccc(CN2CCOC3(CCC3)C2)cn1 ZINC000187381612 1037313320 /nfs/dbraw/zinc/31/33/20/1037313320.db2.gz BMFOICMUEVYXEH-UHFFFAOYSA-N 1 0 342.414 3.555 50 0 EHAARO COc1ccccc1/C=C\C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000255392253 1037623259 /nfs/dbraw/zinc/62/32/59/1037623259.db2.gz MDGBZMZZLXKHQN-VURMDHGXSA-N 1 0 348.450 3.631 50 0 EHAARO C[NH+](C)Cc1ccc(-c2noc(C3(Nc4ccccc4)CC3)n2)cc1 ZINC000888095709 1043224364 /nfs/dbraw/zinc/22/43/64/1043224364.db2.gz TYPAAWZSKNCFDN-UHFFFAOYSA-N 1 0 334.423 3.899 50 0 EHAARO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](CCO)C2CCCCC2)s1 ZINC000183703179 1125706925 /nfs/dbraw/zinc/70/69/25/1125706925.db2.gz FKMQUTSIOGSWGY-GFCCVEGCSA-N 1 0 336.423 3.891 50 0 EHAARO Fc1cc2c(cc1Cl)[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)CC2 ZINC000527858581 1127600510 /nfs/dbraw/zinc/60/05/10/1127600510.db2.gz LKKLJOCKEVVXTK-CXAGYDPISA-N 1 0 346.837 3.515 50 0 EHAARO c1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000059314154 1128372043 /nfs/dbraw/zinc/37/20/43/1128372043.db2.gz JUIURDQDANKFCW-QGZVFWFLSA-N 1 0 342.512 3.820 50 0 EHAARO Cc1cccc(C2=CC[N@H+](Cc3cc(-c4cnn(C)c4)no3)CC2)c1 ZINC000185046539 1120281544 /nfs/dbraw/zinc/28/15/44/1120281544.db2.gz PGNVQOCAOVDJFN-UHFFFAOYSA-N 1 0 334.423 3.673 50 0 EHAARO C/C(=C\c1ccccc1)C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000179874854 1123880303 /nfs/dbraw/zinc/88/03/03/1123880303.db2.gz AJFVCNOSMFDZCB-OBGWFSINSA-N 1 0 326.484 3.814 50 0 EHAARO C[C@@H]1Cc2cc(NC(=O)C3([NH+]4CCCC4)CCCCC3)ccc2O1 ZINC000822512880 1131000570 /nfs/dbraw/zinc/00/05/70/1131000570.db2.gz TXPQAOYRKOCKOZ-OAHLLOKOSA-N 1 0 328.456 3.747 50 0 EHAARO Cc1cc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)o1 ZINC000823764840 1131080703 /nfs/dbraw/zinc/08/07/03/1131080703.db2.gz KKZJWEHRCFYWEA-UHFFFAOYSA-N 1 0 328.412 3.622 50 0 EHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccc2c1CCC2=O ZINC000828177485 1131424272 /nfs/dbraw/zinc/42/42/72/1131424272.db2.gz DIKWQUFOAVTBBM-UHFFFAOYSA-N 1 0 334.419 3.664 50 0 EHAARO Cc1cnc([C@@H]2CC[N@H+](Cc3ccncc3)C2)n1Cc1ccccc1 ZINC000581816554 1132372726 /nfs/dbraw/zinc/37/27/26/1132372726.db2.gz ZFJPFRIEGGPMKD-HXUWFJFHSA-N 1 0 332.451 3.624 50 0 EHAARO Cn1cccc1C[N@@H+]1CCCC[C@@H]1CCn1cc(-c2ccccc2)nn1 ZINC000581818615 1132374085 /nfs/dbraw/zinc/37/40/85/1132374085.db2.gz KBBXCMVDOHOZKM-LJQANCHMSA-N 1 0 349.482 3.728 50 0 EHAARO Cc1ccc(C[N@@H+]2CC[C@H](Cn3c(C)cnc3-c3ccncc3)C2)o1 ZINC000581813629 1132376963 /nfs/dbraw/zinc/37/69/63/1132376963.db2.gz AEGILTFLJNQPOV-KRWDZBQOSA-N 1 0 336.439 3.677 50 0 EHAARO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([S@@](=N)(=O)C(F)(F)F)cc1 ZINC000585092636 1136994160 /nfs/dbraw/zinc/99/41/60/1136994160.db2.gz HQWMEICXIJVTKT-JCQPUDPBSA-N 1 0 349.422 3.898 50 0 EHAARO Cc1nc(-c2ccc(C(=O)N[C@H]3CCCc4nc[nH]c43)cc2)cs1 ZINC000585122567 1137011833 /nfs/dbraw/zinc/01/18/33/1137011833.db2.gz BBNNFOQMEUYFBI-HNNXBMFYSA-N 1 0 338.436 3.649 50 0 EHAARO COc1ccc(-n2ccnc2CN2CCC[C@@H]2c2ccccn2)cc1 ZINC000065497876 1137217622 /nfs/dbraw/zinc/21/76/22/1137217622.db2.gz QTONDIGWCRCYOZ-LJQANCHMSA-N 1 0 334.423 3.613 50 0 EHAARO COc1cccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1F ZINC000192672145 1137456426 /nfs/dbraw/zinc/45/64/26/1137456426.db2.gz WMDXZMTWGLAUAA-FQEVSTJZSA-N 1 0 343.398 3.846 50 0 EHAARO Cn1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c(-c2cc3ccccc3o2)n1 ZINC000952845156 1137482280 /nfs/dbraw/zinc/48/22/80/1137482280.db2.gz CRJXKTHZLKVQDH-AWEZNQCLSA-N 1 0 347.365 3.647 50 0 EHAARO c1cn(CCC[NH2+]Cc2cnc(N3CCCC3)s2)c2ccccc12 ZINC000952959811 1137483803 /nfs/dbraw/zinc/48/38/03/1137483803.db2.gz QAVQENKKXRYMNU-UHFFFAOYSA-N 1 0 340.496 3.878 50 0 EHAARO CC[C@H](C(=O)NCc1ccc(-c2ccccc2Cl)o1)[N@H+](C)CC ZINC000952974772 1137484528 /nfs/dbraw/zinc/48/45/28/1137484528.db2.gz WRRCHJWPQADSMP-MRXNPFEDSA-N 1 0 334.847 3.947 50 0 EHAARO CSc1ncc(C[N@H+](C)CCCOc2ccccc2Cl)cn1 ZINC000952977608 1137484749 /nfs/dbraw/zinc/48/47/49/1137484749.db2.gz YCLYPLAYJVJDEU-UHFFFAOYSA-N 1 0 337.876 3.753 50 0 EHAARO C[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1cccc(O)c1Cl ZINC000952982972 1137485258 /nfs/dbraw/zinc/48/52/58/1137485258.db2.gz NHZMNGWEHWAMMG-AWEZNQCLSA-N 1 0 330.859 3.582 50 0 EHAARO O=C1C[C@@H](C[NH2+]Cc2ccc(-c3cccnc3)cc2)CN1C1CCCC1 ZINC000952991292 1137486186 /nfs/dbraw/zinc/48/61/86/1137486186.db2.gz NCRLVUPNDHESQD-SFHVURJKSA-N 1 0 349.478 3.629 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1 ZINC000004745167 210266623 /nfs/dbraw/zinc/26/66/23/210266623.db2.gz AWJYQQXYNYSORH-QFIPXVFZSA-N 1 0 348.490 3.792 50 0 EHAARO COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)ccc1F ZINC000055053102 214268312 /nfs/dbraw/zinc/26/83/12/214268312.db2.gz PRYSEYZLDDKNAP-NRFANRHFSA-N 1 0 346.490 3.922 50 0 EHAARO CCn1nc(C)c(C[N@H+](CCOC)Cc2c[nH]c3ccccc23)c1C ZINC000055098943 214271959 /nfs/dbraw/zinc/27/19/59/214271959.db2.gz JZNZNTARIUNNSY-UHFFFAOYSA-N 1 0 340.471 3.650 50 0 EHAARO COCc1cc(C[N@H+](C)[C@@H](C)Cc2cc(C)ccn2)ccc1OC ZINC000055309192 214304968 /nfs/dbraw/zinc/30/49/68/214304968.db2.gz DLQJNIHBZUTURM-INIZCTEOSA-N 1 0 328.456 3.608 50 0 EHAARO O=C(C1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCc2ccccc2C1 ZINC000004613904 210232407 /nfs/dbraw/zinc/23/24/07/210232407.db2.gz NKHWPZPXBYLZHZ-GOSISDBHSA-N 1 0 338.495 3.640 50 0 EHAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccccc1 ZINC000004488506 210201634 /nfs/dbraw/zinc/20/16/34/210201634.db2.gz YZNCHGMFPXDZQP-GOSISDBHSA-N 1 0 327.424 3.543 50 0 EHAARO CCOc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OC ZINC000004488521 210201286 /nfs/dbraw/zinc/20/12/86/210201286.db2.gz MUKRMHKJTJLJQD-UHFFFAOYSA-N 1 0 349.814 3.766 50 0 EHAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccco3)nc2c1C ZINC000004359376 210180940 /nfs/dbraw/zinc/18/09/40/210180940.db2.gz YLQOSBHJTQCXMH-UHFFFAOYSA-N 1 0 343.452 3.715 50 0 EHAARO CC(C)CC[N@@H+](Cc1cccn1Cc1ccccc1F)C[C@@H](C)O ZINC000004354113 210177173 /nfs/dbraw/zinc/17/71/73/210177173.db2.gz BYJNPYRDHROHFN-QGZVFWFLSA-N 1 0 332.463 3.904 50 0 EHAARO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+](CC)Cc2ccccc2)cc1 ZINC000004320423 210170793 /nfs/dbraw/zinc/17/07/93/210170793.db2.gz ALMAYIPNCBOXGW-IBGZPJMESA-N 1 0 341.451 3.541 50 0 EHAARO CCOP(=O)(OCC)OCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000004000058 210099026 /nfs/dbraw/zinc/09/90/26/210099026.db2.gz RPYOYJSKUKGJFB-MRXNPFEDSA-N 1 0 342.376 3.806 50 0 biogenic EHAARO O=C(NC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1)c1ccsc1 ZINC000067714479 215193020 /nfs/dbraw/zinc/19/30/20/215193020.db2.gz VRIUTNAQSQNQJM-CQSZACIVSA-N 1 0 334.872 3.653 50 0 EHAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(-n2cccn2)c1 ZINC000067754806 215203486 /nfs/dbraw/zinc/20/34/86/215203486.db2.gz WCLDWJKTRADDMZ-KRWDZBQOSA-N 1 0 335.455 3.592 50 0 EHAARO Cc1cccc(C)c1Oc1ncccc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000067774715 215210405 /nfs/dbraw/zinc/21/04/05/215210405.db2.gz MZZPGMOOBQBUBE-IBGZPJMESA-N 1 0 337.467 3.675 50 0 EHAARO Cc1ccc2cc(C[N@H+](Cc3cccc(O)c3)C3CC3)c(=O)[nH]c2c1 ZINC000067955306 215259167 /nfs/dbraw/zinc/25/91/67/215259167.db2.gz BSZVJCFQDJRHCG-UHFFFAOYSA-N 1 0 334.419 3.707 50 0 EHAARO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCc2ccccc21 ZINC000067962589 215260119 /nfs/dbraw/zinc/26/01/19/215260119.db2.gz DWAZYBOAAFGMJH-GOSISDBHSA-N 1 0 338.455 3.556 50 0 EHAARO O=C(C[N@H+](C1CC1)[C@@H]1CCc2ccccc21)Nc1cccnc1Cl ZINC000068333645 215300691 /nfs/dbraw/zinc/30/06/91/215300691.db2.gz QNVSVXQLZQGQJO-QGZVFWFLSA-N 1 0 341.842 3.825 50 0 EHAARO CCCC[C@H]1C[N@H+](CCC(=O)N[C@H](C)CC)Cc2ccccc2O1 ZINC000104359329 219379414 /nfs/dbraw/zinc/37/94/14/219379414.db2.gz MPTABDQFUILGFO-AEFFLSMTSA-N 1 0 332.488 3.745 50 0 EHAARO C[C@H](O)CNc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000068938811 215346577 /nfs/dbraw/zinc/34/65/77/215346577.db2.gz YQIZHNHFRNWFPF-LBPRGKRZSA-N 1 0 349.356 3.896 50 0 EHAARO Cc1ccc(OCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000040089047 213261644 /nfs/dbraw/zinc/26/16/44/213261644.db2.gz YNHJQSVERAWITA-UHFFFAOYSA-N 1 0 338.451 3.998 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H](C)c3ccc(Cl)cc3)nc12 ZINC000040063179 213256878 /nfs/dbraw/zinc/25/68/78/213256878.db2.gz RYBCVOMGVBIYCD-CQSZACIVSA-N 1 0 341.842 3.849 50 0 EHAARO CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1=O ZINC000038545828 213213495 /nfs/dbraw/zinc/21/34/95/213213495.db2.gz WLVRGIXULOYCSQ-HXUWFJFHSA-N 1 0 340.467 3.766 50 0 EHAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000038361494 213208758 /nfs/dbraw/zinc/20/87/58/213208758.db2.gz ZBIVRUVVGCTWPK-RDTXWAMCSA-N 1 0 345.487 3.604 50 0 EHAARO c1coc(-c2nnc(SCC[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000036646217 213106935 /nfs/dbraw/zinc/10/69/35/213106935.db2.gz UGXYWLMIBVCOFM-UHFFFAOYSA-N 1 0 340.452 3.715 50 0 EHAARO COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2)c1 ZINC000036100074 213067837 /nfs/dbraw/zinc/06/78/37/213067837.db2.gz FJJUEBHXPWYQSB-LJQANCHMSA-N 1 0 343.467 3.593 50 0 EHAARO COc1ccccc1C[N@H+](C[C@@H](O)COc1ccccc1C)C(C)C ZINC000036102841 213066753 /nfs/dbraw/zinc/06/67/53/213066753.db2.gz BIDRJUMWRVTJJC-LJQANCHMSA-N 1 0 343.467 3.654 50 0 EHAARO Cc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C2CC2)c1 ZINC000036098824 213065465 /nfs/dbraw/zinc/06/54/65/213065465.db2.gz QLOGVRUFOYEYKI-HXUWFJFHSA-N 1 0 325.452 3.708 50 0 EHAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2)C2CC2)c(C)c1 ZINC000036098945 213064777 /nfs/dbraw/zinc/06/47/77/213064777.db2.gz IXKVFYLLLAFLSO-HXUWFJFHSA-N 1 0 325.452 3.708 50 0 EHAARO CC[C@@H](C)[N@@H+](Cc1ccccc1C)C[C@H](O)COCc1ccco1 ZINC000036104505 213068410 /nfs/dbraw/zinc/06/84/10/213068410.db2.gz GBOUWFLOHUVCRW-MJGOQNOKSA-N 1 0 331.456 3.766 50 0 EHAARO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104293 213068603 /nfs/dbraw/zinc/06/86/03/213068603.db2.gz ZAWLFBMECSTKRB-OAQYLSRUSA-N 1 0 345.458 3.861 50 0 EHAARO C[NH+](C)CCNc1cc(-c2ncccc2C(F)(F)F)c2cc[nH]c2n1 ZINC000072131895 216021024 /nfs/dbraw/zinc/02/10/24/216021024.db2.gz KYDIZFIZYGJIRO-UHFFFAOYSA-N 1 0 349.360 3.617 50 0 EHAARO c1cc2c(nc(NC3CC[NH2+]CC3)cc2-c2cnc3ccccc3c2)[nH]1 ZINC000072135506 216025268 /nfs/dbraw/zinc/02/52/68/216025268.db2.gz RITBAXIPHXLRBI-UHFFFAOYSA-N 1 0 343.434 3.942 50 0 EHAARO c1ccc(COC2CC[NH+](Cc3cccc4nccnc34)CC2)cc1 ZINC000072146042 216032727 /nfs/dbraw/zinc/03/27/27/216032727.db2.gz JZAAFJVWICEYQJ-UHFFFAOYSA-N 1 0 333.435 3.811 50 0 EHAARO c1cncc(CO[C@@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)c1 ZINC000072152871 216041229 /nfs/dbraw/zinc/04/12/29/216041229.db2.gz VDDPABGQTFWKMR-HXUWFJFHSA-N 1 0 333.435 3.811 50 0 EHAARO CC[C@H]1CN(Cc2cc(F)c(OC)c(Cl)c2)CC[N@@H+]1C(C)C ZINC000072166889 216057794 /nfs/dbraw/zinc/05/77/94/216057794.db2.gz ODPSNGHFZKCCEL-AWEZNQCLSA-N 1 0 328.859 3.792 50 0 EHAARO COc1coc(C[N@@H+]2CCC[C@H](CCc3ccccc3C)C2)cc1=O ZINC000072163629 216051552 /nfs/dbraw/zinc/05/15/52/216051552.db2.gz KSNASBLXUXOQLS-QGZVFWFLSA-N 1 0 341.451 3.802 50 0 EHAARO CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(F)ccc3C)cc2)CC1 ZINC000072283950 216114884 /nfs/dbraw/zinc/11/48/84/216114884.db2.gz FJUJNKYNBGCCDQ-UHFFFAOYSA-N 1 0 341.430 3.528 50 0 EHAARO CCCOc1ccccc1NC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000072309816 216145875 /nfs/dbraw/zinc/14/58/75/216145875.db2.gz JZQDSGTVWVNQRQ-INIZCTEOSA-N 1 0 333.476 3.671 50 0 EHAARO Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000072419049 216207871 /nfs/dbraw/zinc/20/78/71/216207871.db2.gz ZIUGKSLDDKHZRW-AWEZNQCLSA-N 1 0 333.863 3.829 50 0 EHAARO C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)Cc1cnc2ccccc2n1 ZINC000072421178 216208781 /nfs/dbraw/zinc/20/87/81/216208781.db2.gz WLFPVOLAKLDFEO-UHFFFAOYSA-N 1 0 349.478 3.965 50 0 EHAARO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc3c(-c4ccccc4)ccnc23)C1 ZINC000072436450 216231112 /nfs/dbraw/zinc/23/11/12/216231112.db2.gz QGAJBUCMCKULHT-JKSUJKDBSA-N 1 0 331.419 3.968 50 0 EHAARO COc1cc(NC2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1 ZINC000023549821 212382273 /nfs/dbraw/zinc/38/22/73/212382273.db2.gz SODCPYMRXQMXBJ-UHFFFAOYSA-N 1 0 340.467 3.823 50 0 EHAARO CC[N@@H+](Cc1ccc(Cl)s1)Cn1c(CO)nc2ccccc21 ZINC000023466434 212378376 /nfs/dbraw/zinc/37/83/76/212378376.db2.gz DLNYCLKKVNNYDL-UHFFFAOYSA-N 1 0 335.860 3.723 50 0 EHAARO c1ccc2c(c1)cccc2C[C@H]1C[N@@H+](C2CCSCC2)CCO1 ZINC000023339935 212369057 /nfs/dbraw/zinc/36/90/57/212369057.db2.gz RYCHNRPLIGGQMR-IBGZPJMESA-N 1 0 327.493 3.979 50 0 EHAARO Cc1cc(C)cc(C(=O)NCC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000023128017 212352840 /nfs/dbraw/zinc/35/28/40/212352840.db2.gz PRDBPWZNWKFWOZ-UHFFFAOYSA-N 1 0 326.440 3.538 50 0 EHAARO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1OC(C)C ZINC000022770297 212323172 /nfs/dbraw/zinc/32/31/72/212323172.db2.gz RVCCHRDBPSXHRU-UHFFFAOYSA-N 1 0 329.396 3.501 50 0 EHAARO COc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)c2ccccc2)c(F)c1 ZINC000215148727 241109105 /nfs/dbraw/zinc/10/91/05/241109105.db2.gz LFTNDZYBJVMWPV-KRWDZBQOSA-N 1 0 345.418 3.649 50 0 EHAARO COc1cc(F)c(C[NH+]2CCC(c3ccncc3)CC2)cc1OC ZINC000215803989 241147228 /nfs/dbraw/zinc/14/72/28/241147228.db2.gz IHSWKXCXABDWEA-UHFFFAOYSA-N 1 0 330.403 3.618 50 0 EHAARO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2OC(C)C)C1 ZINC000215954268 241157480 /nfs/dbraw/zinc/15/74/80/241157480.db2.gz ORORABRNULBQAH-CQSZACIVSA-N 1 0 341.879 3.994 50 0 EHAARO CC[N@H+](Cc1cnc(-c2ccccc2OC)s1)C1CCOCC1 ZINC000216200655 241174180 /nfs/dbraw/zinc/17/41/80/241174180.db2.gz PQJMQHFFJSFFRO-UHFFFAOYSA-N 1 0 332.469 3.820 50 0 EHAARO CCOC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nc3ccccc3n2C)o1 ZINC000215414325 241125200 /nfs/dbraw/zinc/12/52/00/241125200.db2.gz YVNDAHHRLHXVKM-OAHLLOKOSA-N 1 0 339.439 3.834 50 0 EHAARO C[C@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021783067 212248272 /nfs/dbraw/zinc/24/82/72/212248272.db2.gz OPZGAZGQEDUUDK-PMACEKPBSA-N 1 0 345.870 3.664 50 0 EHAARO Cc1cc2oc(=O)cc(CN(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1Cl ZINC000229820762 242204477 /nfs/dbraw/zinc/20/44/77/242204477.db2.gz OVMFTOXSPVHTNF-ZFWWWQNUSA-N 1 0 348.874 3.669 50 0 EHAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000244816948 243085498 /nfs/dbraw/zinc/08/54/98/243085498.db2.gz SRQFRJOKQWKSEM-MRXNPFEDSA-N 1 0 328.460 3.835 50 0 EHAARO OCC[C@@H]1CN(CCCc2ccccc2)CC[N@@H+]1CC1CCCCC1 ZINC000020202078 212111188 /nfs/dbraw/zinc/11/11/88/212111188.db2.gz GXLREAWVTLVBTM-JOCHJYFZSA-N 1 0 344.543 3.568 50 0 EHAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000019835922 212074673 /nfs/dbraw/zinc/07/46/73/212074673.db2.gz KBZKVFLNOHXJCH-QGZVFWFLSA-N 1 0 336.414 3.990 50 0 EHAARO Brc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000019721048 212058310 /nfs/dbraw/zinc/05/83/10/212058310.db2.gz RXVLSZNIGWIGFE-UHFFFAOYSA-N 1 0 334.213 3.510 50 0 EHAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000019726644 212058035 /nfs/dbraw/zinc/05/80/35/212058035.db2.gz NUQQDNSTBXJLQC-QGZVFWFLSA-N 1 0 337.341 3.958 50 0 EHAARO COc1cccc(Oc2ccc(NC(=O)N(C)CC[NH+](C)C)cc2)c1 ZINC000078501086 217065148 /nfs/dbraw/zinc/06/51/48/217065148.db2.gz HNKMZSWEILDXKA-UHFFFAOYSA-N 1 0 343.427 3.513 50 0 EHAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000078710965 217107426 /nfs/dbraw/zinc/10/74/26/217107426.db2.gz HFPOVOGZZHZILD-RTBURBONSA-N 1 0 340.467 3.754 50 0 EHAARO Cc1ccc(C)c([N+]2=C3CCCCN3[C@](O)(c3cccs3)C2)c1 ZINC000015953382 211872207 /nfs/dbraw/zinc/87/22/07/211872207.db2.gz PJOGFKIJZSYBRG-LJQANCHMSA-N 1 0 327.473 3.625 50 0 EHAARO C[C@H](COc1ccccc1)[NH+]1CCC(CCC(=O)N2CCCC2)CC1 ZINC000012716313 211438006 /nfs/dbraw/zinc/43/80/06/211438006.db2.gz BHSCPRMWHSJQHN-GOSISDBHSA-N 1 0 344.499 3.569 50 0 EHAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](CC2CCCC2)CC1 ZINC000012595975 211418904 /nfs/dbraw/zinc/41/89/04/211418904.db2.gz IFJQQDPXQXNARK-UHFFFAOYSA-N 1 0 340.467 3.901 50 0 EHAARO COCC[N@H+](Cc1nc(-c2cccc(OC)c2OC)oc1C)C(C)C ZINC000012430120 211378107 /nfs/dbraw/zinc/37/81/07/211378107.db2.gz CMZHKHWKLAYYGB-UHFFFAOYSA-N 1 0 348.443 3.524 50 0 EHAARO CC1CC[NH+](C[C@@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000012420046 211375364 /nfs/dbraw/zinc/37/53/64/211375364.db2.gz PMFOZZRBIOJXCT-LJQANCHMSA-N 1 0 325.452 3.825 50 0 EHAARO Cc1ccc(N[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)cc1C ZINC000012318812 211343308 /nfs/dbraw/zinc/34/33/08/211343308.db2.gz QOADCYVFTWHZIK-HXUWFJFHSA-N 1 0 343.515 3.582 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000012170169 211310613 /nfs/dbraw/zinc/31/06/13/211310613.db2.gz VTOTZHZPJYFTJL-KKEHIWFPSA-N 1 0 349.559 3.948 50 0 EHAARO Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCOC4(CCCCC4)C3)c(C)n2n1 ZINC000090527714 217935926 /nfs/dbraw/zinc/93/59/26/217935926.db2.gz KDQISYDHNGBOHF-WBVHZDCISA-N 1 0 342.487 3.879 50 0 EHAARO O=C1CC[N@@H+](C[C@H]2CC=CCC2)CCN1Cc1cccc(Cl)c1 ZINC000012098445 211290935 /nfs/dbraw/zinc/29/09/35/211290935.db2.gz ICHMNWRKRSNYAP-INIZCTEOSA-N 1 0 332.875 3.731 50 0 EHAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2)oc1C ZINC000011933938 211272106 /nfs/dbraw/zinc/27/21/06/211272106.db2.gz CHAARZMQOXIAEJ-MRXNPFEDSA-N 1 0 330.428 3.660 50 0 EHAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)cc1C ZINC000011816486 211250646 /nfs/dbraw/zinc/25/06/46/211250646.db2.gz MXMPDKWZLCSAQR-INIZCTEOSA-N 1 0 327.424 4.000 50 0 EHAARO Cn1cccc1[C@H](CNC(=O)c1ccc2ccccc2c1)[NH+]1CCCC1 ZINC000011845695 211256616 /nfs/dbraw/zinc/25/66/16/211256616.db2.gz LGSRNBYZYTURFF-NRFANRHFSA-N 1 0 347.462 3.745 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)[nH]c2ccccc12 ZINC000011712634 211239639 /nfs/dbraw/zinc/23/96/39/211239639.db2.gz XNAKHZFSUOIVAF-MRXNPFEDSA-N 1 0 339.483 3.747 50 0 EHAARO CC(=O)c1cccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)c1 ZINC000011665115 211232620 /nfs/dbraw/zinc/23/26/20/211232620.db2.gz FDEWDCMDDNZVCO-LJQANCHMSA-N 1 0 346.434 3.637 50 0 EHAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)o1 ZINC000011662044 211230629 /nfs/dbraw/zinc/23/06/29/211230629.db2.gz XZXNENMUVOMWOM-UHFFFAOYSA-N 1 0 344.459 3.606 50 0 EHAARO Cc1ccccc1[C@H]1CC[N@H+](CCNc2nnc(C(C)(C)C)o2)C1 ZINC000092065874 218113475 /nfs/dbraw/zinc/11/34/75/218113475.db2.gz VXJKKZLGRCCBRW-HNNXBMFYSA-N 1 0 328.460 3.577 50 0 EHAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCc1cccc(Cl)c1 ZINC000010339713 211167252 /nfs/dbraw/zinc/16/72/52/211167252.db2.gz RAYPUERLVDGVQH-SFHVURJKSA-N 1 0 328.843 3.793 50 0 EHAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccccc1 ZINC000010139746 211149598 /nfs/dbraw/zinc/14/95/98/211149598.db2.gz QPWKPCHTVICLFS-UHFFFAOYSA-N 1 0 333.435 3.986 50 0 EHAARO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000009594214 211105168 /nfs/dbraw/zinc/10/51/68/211105168.db2.gz OAFOUPWOUGRJGO-MRXNPFEDSA-N 1 0 339.483 3.774 50 0 EHAARO CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000093838535 218251917 /nfs/dbraw/zinc/25/19/17/218251917.db2.gz WASVMUBEXUMYFO-INIZCTEOSA-N 1 0 344.842 3.952 50 0 EHAARO CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[NH2+]C(C)(C)CC ZINC000009337760 211070646 /nfs/dbraw/zinc/07/06/46/211070646.db2.gz VXQYEKXOLZOXCI-UHFFFAOYSA-N 1 0 340.489 3.765 50 0 EHAARO CC(C)(C)n1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000095376839 218310239 /nfs/dbraw/zinc/31/02/39/218310239.db2.gz MCEZICNIANOPIX-SFHVURJKSA-N 1 0 331.504 3.724 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNc2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000095389804 218321530 /nfs/dbraw/zinc/32/15/30/218321530.db2.gz FNDBQVGVBVQFOQ-INIZCTEOSA-N 1 0 347.466 3.836 50 0 EHAARO C[NH+](C)CCSc1ccc(NC(=O)c2ccc[nH]c2=S)cc1 ZINC000095396547 218328991 /nfs/dbraw/zinc/32/89/91/218328991.db2.gz YCLMYLAXCVOSSK-UHFFFAOYSA-N 1 0 333.482 3.650 50 0 EHAARO CCS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000095423484 218365826 /nfs/dbraw/zinc/36/58/26/218365826.db2.gz RYOFYFYYVUKJDA-FPMFFAJLSA-N 1 0 345.505 3.554 50 0 EHAARO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000095454743 218398273 /nfs/dbraw/zinc/39/82/73/218398273.db2.gz OVZGRYGLAPNRCB-INIZCTEOSA-N 1 0 331.378 3.755 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096478644 218855329 /nfs/dbraw/zinc/85/53/29/218855329.db2.gz KMNKTTPRVDPSPK-NWDGAFQWSA-N 1 0 347.521 3.800 50 0 EHAARO C[C@@H]1S[C@@H](c2c(Cl)cccc2Cl)N(CCC[NH+](C)C)C1=O ZINC000005046067 210374187 /nfs/dbraw/zinc/37/41/87/210374187.db2.gz FWIUTAMHBUJCPA-BONVTDFDSA-N 1 0 347.311 3.908 50 0 EHAARO C[C@H](Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1cc2ccccc2o1 ZINC000097232183 219000197 /nfs/dbraw/zinc/00/01/97/219000197.db2.gz VZKIBJQHHQRFOI-ZDUSSCGKSA-N 1 0 337.423 3.766 50 0 EHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1 ZINC000097532567 219034266 /nfs/dbraw/zinc/03/42/66/219034266.db2.gz LYMKGADMZOUSRN-GOSISDBHSA-N 1 0 338.411 3.514 50 0 EHAARO Cc1nnc([C@H](C)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000338271971 257931448 /nfs/dbraw/zinc/93/14/48/257931448.db2.gz CAFNUFOHQLFTCI-GJZGRUSLSA-N 1 0 336.549 3.884 50 0 EHAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000299777529 258087733 /nfs/dbraw/zinc/08/77/33/258087733.db2.gz ORYQSNXWDAMSAN-OAHLLOKOSA-N 1 0 325.412 3.824 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)Nc1cccnc1 ZINC000299784090 258091875 /nfs/dbraw/zinc/09/18/75/258091875.db2.gz IPKKISBILPNUSJ-LJQANCHMSA-N 1 0 338.455 3.820 50 0 EHAARO CCCC1([NH2+]C2CCN(c3ccc(N4CCCC4=O)cc3)CC2)CC1 ZINC000055154359 132194226 /nfs/dbraw/zinc/19/42/26/132194226.db2.gz DEVMHJDEKQVNKC-UHFFFAOYSA-N 1 0 341.499 3.705 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2)CC1 ZINC000012593893 135697038 /nfs/dbraw/zinc/69/70/38/135697038.db2.gz SRWHRWKRIDWPAB-UHFFFAOYSA-N 1 0 329.488 3.737 50 0 EHAARO Cc1cnccc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000122038669 222000893 /nfs/dbraw/zinc/00/08/93/222000893.db2.gz HVGZUQAUHKHKTN-MRXNPFEDSA-N 1 0 338.455 3.737 50 0 EHAARO C[C@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000123386113 222269484 /nfs/dbraw/zinc/26/94/84/222269484.db2.gz FYPSKJMXYKBVMB-ODWCKFRGSA-N 1 0 336.398 3.847 50 0 EHAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C)cc2)C(C)C)cc1 ZINC000036101800 524970754 /nfs/dbraw/zinc/97/07/54/524970754.db2.gz ZIICZZHFRJTGLM-LJQANCHMSA-N 1 0 343.467 3.654 50 0 EHAARO CC[NH+]1CCN(c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000230538167 535742401 /nfs/dbraw/zinc/74/24/01/535742401.db2.gz IYJJAFBOOSDLCF-UHFFFAOYSA-N 1 0 337.183 3.610 50 0 EHAARO C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2C(=O)[O-])cc1 ZINC000215297951 536020202 /nfs/dbraw/zinc/02/02/02/536020202.db2.gz PNCUYZOARGHBBF-HXUWFJFHSA-N 1 0 338.451 3.784 50 0 EHAARO COc1ccc2c(c1)CCc1c-2[nH+]c2ccccc2c1N1CCOCC1 ZINC000000088013 563221440 /nfs/dbraw/zinc/22/14/40/563221440.db2.gz LKBYWBCEXWIRLK-UHFFFAOYSA-N 1 0 346.430 3.846 50 0 EHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccccc1F ZINC000000360100 563293383 /nfs/dbraw/zinc/29/33/83/563293383.db2.gz NMUOQTSDKPOCLX-KRWDZBQOSA-N 1 0 345.414 3.682 50 0 EHAARO CC[N@H+](CCO)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000001530652 563391344 /nfs/dbraw/zinc/39/13/44/563391344.db2.gz XXSMGPRMXLTPCZ-CQSZACIVSA-N 1 0 335.879 3.783 50 0 fda EHAARO O=C(c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1)C1CCCCC1 ZINC000002514763 563435597 /nfs/dbraw/zinc/43/55/97/563435597.db2.gz BJZWKKVRIQKZIG-UHFFFAOYSA-N 1 0 343.467 3.789 50 0 EHAARO CCOC(=O)CCCCC(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000002515540 563436568 /nfs/dbraw/zinc/43/65/68/563436568.db2.gz FGUVOSAUHACKOL-UHFFFAOYSA-N 1 0 331.456 3.979 50 0 EHAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(OC)c1OC ZINC000002573300 563442511 /nfs/dbraw/zinc/44/25/11/563442511.db2.gz RNFBXOBIDNOBJJ-UHFFFAOYSA-N 1 0 340.423 3.526 50 0 EHAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000002735054 563447758 /nfs/dbraw/zinc/44/77/58/563447758.db2.gz NCLWIIMTAPDZEN-LJQANCHMSA-N 1 0 340.442 3.696 50 0 EHAARO C[NH+](C)CCOC(=O)[C@@H](C[C@H]1CCCO1)c1cccc2ccccc21 ZINC000005674776 563545160 /nfs/dbraw/zinc/54/51/60/563545160.db2.gz WINDMCCYDFPNPV-XLIONFOSSA-N 1 0 341.451 3.597 50 0 EHAARO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000071915630 563619337 /nfs/dbraw/zinc/61/93/37/563619337.db2.gz SACHRFHLVBQJIM-LJQANCHMSA-N 1 0 341.430 3.520 50 0 EHAARO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000071915864 563620105 /nfs/dbraw/zinc/62/01/05/563620105.db2.gz UKGHDXPLLDGSOP-LPHOPBHVSA-N 1 0 338.455 3.598 50 0 EHAARO O=C(Nc1ccccc1Cc1ccccc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000071920156 563624273 /nfs/dbraw/zinc/62/42/73/563624273.db2.gz OCPXUMRFNFSXRD-FQEVSTJZSA-N 1 0 349.478 3.979 50 0 EHAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000012225588 563656594 /nfs/dbraw/zinc/65/65/94/563656594.db2.gz NTFMGGVXGIJRKR-HXUWFJFHSA-N 1 0 345.439 3.615 50 0 EHAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2F)oc1C ZINC000012226733 563656622 /nfs/dbraw/zinc/65/66/22/563656622.db2.gz BJXQRUUTVIMHSY-CQSZACIVSA-N 1 0 348.418 3.799 50 0 EHAARO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000012980946 563681226 /nfs/dbraw/zinc/68/12/26/563681226.db2.gz JZNZJIQZFSDLPJ-JXFKEZNVSA-N 1 0 338.451 3.710 50 0 EHAARO C[NH+](C)[C@@H](CNc1ncnc2cc(Cl)ccc21)Cc1ccccc1 ZINC000012999860 563684555 /nfs/dbraw/zinc/68/45/55/563684555.db2.gz ILEHJHJVNFSRIF-MRXNPFEDSA-N 1 0 340.858 3.868 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000013326268 563694956 /nfs/dbraw/zinc/69/49/56/563694956.db2.gz OSNABVJSVBAGRE-UHFFFAOYSA-N 1 0 329.271 3.527 50 0 EHAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)no1 ZINC000014139628 563744923 /nfs/dbraw/zinc/74/49/23/563744923.db2.gz KJVBPRRLSGOQOY-MEDUHNTESA-N 1 0 333.819 3.704 50 0 EHAARO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H]3CCc4ccccc43)nc(=O)c2c1C ZINC000014158755 563745585 /nfs/dbraw/zinc/74/55/85/563745585.db2.gz UANIRZWBPZCKLM-ABAIWWIYSA-N 1 0 339.464 3.940 50 0 EHAARO COc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016600736 563815746 /nfs/dbraw/zinc/81/57/46/563815746.db2.gz KFMBWCXBODVZEW-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccccc2OC(F)F)C1 ZINC000032925361 563828521 /nfs/dbraw/zinc/82/85/21/563828521.db2.gz JKZODHXBCAGNPG-CYBMUJFWSA-N 1 0 341.402 3.532 50 0 EHAARO CCCn1cc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c(C)n1 ZINC000019228317 563855197 /nfs/dbraw/zinc/85/51/97/563855197.db2.gz YOEBFSBUGOCPNN-NRFANRHFSA-N 1 0 340.515 3.698 50 0 EHAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(O)c2)cnn1-c1ccc(F)cc1 ZINC000069871649 563862196 /nfs/dbraw/zinc/86/21/96/563862196.db2.gz ANUHZMUZXNUVDT-CYBMUJFWSA-N 1 0 325.387 3.876 50 0 EHAARO C[NH+]1CCN(c2ccc(NC(=O)CCC3CCCCC3)cc2)CC1 ZINC000023228139 563866241 /nfs/dbraw/zinc/86/62/41/563866241.db2.gz GNSZWSLZIIBFTD-UHFFFAOYSA-N 1 0 329.488 3.737 50 0 EHAARO Cc1ccc(NC(=O)[C@@H]([NH2+]CCCn2ccnc2)c2ccccc2)cc1 ZINC000024981941 563878871 /nfs/dbraw/zinc/87/88/71/563878871.db2.gz OOTJBACVKASPTR-FQEVSTJZSA-N 1 0 348.450 3.551 50 0 EHAARO Cc1ccc(NC(=O)[C@H]([NH2+]CCCn2ccnc2)c2ccccc2)cc1 ZINC000024981948 563878893 /nfs/dbraw/zinc/87/88/93/563878893.db2.gz OOTJBACVKASPTR-HXUWFJFHSA-N 1 0 348.450 3.551 50 0 EHAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000072268668 563895321 /nfs/dbraw/zinc/89/53/21/563895321.db2.gz NMDKTLUXSYOYFM-HZPDHXFCSA-N 1 0 343.496 3.662 50 0 EHAARO CCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582088 563897115 /nfs/dbraw/zinc/89/71/15/563897115.db2.gz SEQLFGCDUZTBLJ-QGZVFWFLSA-N 1 0 344.480 3.714 50 0 EHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000027664229 563898575 /nfs/dbraw/zinc/89/85/75/563898575.db2.gz JJSXNGMNTZGSTA-MRXNPFEDSA-N 1 0 332.444 3.844 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(C)cc1)c1ccccc1 ZINC000028291870 563902213 /nfs/dbraw/zinc/90/22/13/563902213.db2.gz LVRBKNUUKCJBKJ-FQEVSTJZSA-N 1 0 340.467 3.573 50 0 EHAARO c1cncc(COc2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)c1 ZINC000030543995 563909974 /nfs/dbraw/zinc/90/99/74/563909974.db2.gz NGDGFFKEMVSZRG-UHFFFAOYSA-N 1 0 348.402 3.679 50 0 EHAARO CC(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)[NH+](C)C ZINC000030611022 563910055 /nfs/dbraw/zinc/91/00/55/563910055.db2.gz DEOSHWICEUOIJL-OAHLLOKOSA-N 1 0 334.847 3.916 50 0 EHAARO COc1ccc(C[NH2+]CC2(c3ccccc3)CC2)c(OC)c1OC ZINC000030637495 563910142 /nfs/dbraw/zinc/91/01/42/563910142.db2.gz VNYGZRBNTVGFAN-UHFFFAOYSA-N 1 0 327.424 3.534 50 0 EHAARO Cc1ccc(-c2cnc(NC(=O)C[NH2+]C3CCCCC3)s2)cc1 ZINC000022590234 563918497 /nfs/dbraw/zinc/91/84/97/563918497.db2.gz UMNPTKZFYLKIDY-UHFFFAOYSA-N 1 0 329.469 3.979 50 0 EHAARO Cc1ccc(C(C)C)c(COC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000022130502 563918542 /nfs/dbraw/zinc/91/85/42/563918542.db2.gz AXXJCUIXRRRGQT-QWFCFKBJSA-N 1 0 333.516 3.974 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ncccc1C)c1ccsc1 ZINC000046253529 563919573 /nfs/dbraw/zinc/91/95/73/563919573.db2.gz JLULMDQCULUZDE-OAHLLOKOSA-N 1 0 332.473 3.656 50 0 EHAARO CCOc1cccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000058264239 563941076 /nfs/dbraw/zinc/94/10/76/563941076.db2.gz DCWSVYWBEOFZRE-AWEZNQCLSA-N 1 0 345.439 3.962 50 0 EHAARO O=C(CCC1CCCCC1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000058304736 563942079 /nfs/dbraw/zinc/94/20/79/563942079.db2.gz ATFKHCRZHPGBHC-UHFFFAOYSA-N 1 0 343.515 3.565 50 0 EHAARO Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058307462 563942219 /nfs/dbraw/zinc/94/22/19/563942219.db2.gz USKIOBMZTMURJR-AWEZNQCLSA-N 1 0 334.510 3.760 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)Oc2ccccc2)c1 ZINC000058356700 563943530 /nfs/dbraw/zinc/94/35/30/563943530.db2.gz UXVMZEDILWDCBP-IBGZPJMESA-N 1 0 345.464 3.541 50 0 EHAARO O=C(NCCc1ccc(Cl)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000058393560 563944730 /nfs/dbraw/zinc/94/47/30/563944730.db2.gz MOVLFWBYRKSYPI-UHFFFAOYSA-N 1 0 342.870 3.908 50 0 EHAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000058406618 563945067 /nfs/dbraw/zinc/94/50/67/563945067.db2.gz RXXDTNDINGJELR-CYBMUJFWSA-N 1 0 340.920 3.811 50 0 EHAARO Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000096435331 563952493 /nfs/dbraw/zinc/95/24/93/563952493.db2.gz JLXZQICAHNUBPQ-GOSISDBHSA-N 1 0 345.487 3.622 50 0 EHAARO CC1(C)C[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C(C)(C)O1 ZINC000096477484 563954929 /nfs/dbraw/zinc/95/49/29/563954929.db2.gz NQXJJTDMJZNHMB-LJQANCHMSA-N 1 0 347.499 3.818 50 0 EHAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccccc3)cc2)CC1 ZINC000065364758 563958270 /nfs/dbraw/zinc/95/82/70/563958270.db2.gz KONRVCRNRDTHRM-UHFFFAOYSA-N 1 0 338.451 3.731 50 0 EHAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]CCc2nc3ccccc3s2)cc1 ZINC000065398435 563959860 /nfs/dbraw/zinc/95/98/60/563959860.db2.gz INBHIYXZWUPVDG-AWEZNQCLSA-N 1 0 339.464 3.764 50 0 EHAARO C[NH+](C)CCCc1nc(C2CC2)nn1-c1ccc(C(F)(F)F)cc1 ZINC000065534958 563961977 /nfs/dbraw/zinc/96/19/77/563961977.db2.gz DVNJQPUAABTATN-UHFFFAOYSA-N 1 0 338.377 3.658 50 0 EHAARO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C(=O)Nc2ncccn2)CC1 ZINC000060478747 563963713 /nfs/dbraw/zinc/96/37/13/563963713.db2.gz OUZJUOFMQJOZHM-ZDUSSCGKSA-N 1 0 344.846 3.542 50 0 EHAARO CSc1ccc(-c2nc(CN3CCC[N@H+](C)CC3)c(C)o2)cc1 ZINC000071753800 563965244 /nfs/dbraw/zinc/96/52/44/563965244.db2.gz OUAZGUADMOBHRE-UHFFFAOYSA-N 1 0 331.485 3.509 50 0 EHAARO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763342 563965418 /nfs/dbraw/zinc/96/54/18/563965418.db2.gz TZNCANSBKKTGFX-LJQANCHMSA-N 1 0 344.430 3.678 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(C(F)F)s2)C1 ZINC000097047826 563967039 /nfs/dbraw/zinc/96/70/39/563967039.db2.gz FTFUAJAEUGQSQX-NEPJUHHUSA-N 1 0 330.448 3.567 50 0 EHAARO C[C@]12CC[NH2+][C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000077010754 563968554 /nfs/dbraw/zinc/96/85/54/563968554.db2.gz OVYYAEHBJXNRFG-RDJZCZTQSA-N 1 0 340.389 3.729 50 0 EHAARO COc1cccc2cc([C@@H](C)[NH2+]CCc3c(C)nn(C)c3C)oc21 ZINC000097034414 563971233 /nfs/dbraw/zinc/97/12/33/563971233.db2.gz MGSGBBYOXWGIFE-CYBMUJFWSA-N 1 0 327.428 3.685 50 0 EHAARO Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)[nH]c2c1c(C)ccc2C ZINC000091305493 563975234 /nfs/dbraw/zinc/97/52/34/563975234.db2.gz LWNJXIFDGMZEJX-KRWDZBQOSA-N 1 0 339.483 3.794 50 0 EHAARO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000095531130 563977525 /nfs/dbraw/zinc/97/75/25/563977525.db2.gz OCRYQGOHIQETKG-UHFFFAOYSA-N 1 0 331.460 3.619 50 0 EHAARO CCO[C@H](C)c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)cc1 ZINC000097099465 563981290 /nfs/dbraw/zinc/98/12/90/563981290.db2.gz HXHKPRVARAUILM-QGZVFWFLSA-N 1 0 339.483 3.594 50 0 EHAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)C1 ZINC000178519348 563983860 /nfs/dbraw/zinc/98/38/60/563983860.db2.gz ZKXPQXYWLGGCDM-GFCCVEGCSA-N 1 0 348.805 3.692 50 0 EHAARO C[NH2+]C1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)CC1 ZINC000237138546 563988678 /nfs/dbraw/zinc/98/86/78/563988678.db2.gz WRNAPCHZHNISKX-UHFFFAOYSA-N 1 0 337.467 3.871 50 0 EHAARO Cc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)c1 ZINC000000263809 563989846 /nfs/dbraw/zinc/98/98/46/563989846.db2.gz QFJSJAQEKKGSTB-HNNXBMFYSA-N 1 0 331.485 3.910 50 0 EHAARO C[C@H](O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000061011921 563992322 /nfs/dbraw/zinc/99/23/22/563992322.db2.gz MZFZEDVZBFLWHH-HNNXBMFYSA-N 1 0 347.418 3.756 50 0 EHAARO CC(C)c1cc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000121986150 563994312 /nfs/dbraw/zinc/99/43/12/563994312.db2.gz NHKVWCBOADZUMC-UHFFFAOYSA-N 1 0 341.455 3.535 50 0 EHAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1OC(F)F ZINC000248132015 563995283 /nfs/dbraw/zinc/99/52/83/563995283.db2.gz OOMBUQBYMLYFEH-ZEQHWRKHSA-N 1 0 329.362 3.891 50 0 EHAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@H](C)c1ccc(Br)o1 ZINC000225575682 563995740 /nfs/dbraw/zinc/99/57/40/563995740.db2.gz ZQJAPQQLPMUXIK-GMTAPVOTSA-N 1 0 328.206 3.798 50 0 EHAARO C[C@H]1CCC[N@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000005602861 564006240 /nfs/dbraw/zinc/00/62/40/564006240.db2.gz HJNSVKDBEAPXGV-RXVVDRJESA-N 1 0 339.479 3.885 50 0 EHAARO CS[C@H](C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000156214493 564008837 /nfs/dbraw/zinc/00/88/37/564008837.db2.gz AOLQYGLCDNDXBW-CYBMUJFWSA-N 1 0 340.920 3.562 50 0 EHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cc(C)ccc1C)[C@H](C)CC ZINC000105750589 564025315 /nfs/dbraw/zinc/02/53/15/564025315.db2.gz AMJPXWUZBPWAJA-IEBWSBKVSA-N 1 0 335.488 3.608 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@H](C)c2ccccc2F)C1 ZINC000106905567 564026723 /nfs/dbraw/zinc/02/67/23/564026723.db2.gz STSGDFRHXOUETM-HZPDHXFCSA-N 1 0 335.467 3.649 50 0 EHAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2F)c1 ZINC000048235839 564030181 /nfs/dbraw/zinc/03/01/81/564030181.db2.gz UGHNMSXPWFTCHD-MOPGFXCFSA-N 1 0 345.414 3.713 50 0 EHAARO C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cc2ccccc2s1 ZINC000184380122 564032938 /nfs/dbraw/zinc/03/29/38/564032938.db2.gz CHYRDCHEUXNNMT-NSHDSACASA-N 1 0 341.461 3.822 50 0 EHAARO Cc1ncsc1CC[N@@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000215685713 564033630 /nfs/dbraw/zinc/03/36/30/564033630.db2.gz LTHMKBFFFMVLGA-UHFFFAOYSA-N 1 0 326.469 3.620 50 0 EHAARO C[NH+](C)[C@@H](CNC(=S)NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000032639074 564036117 /nfs/dbraw/zinc/03/61/17/564036117.db2.gz BHSRQIBMHXBRMF-INIZCTEOSA-N 1 0 335.561 3.968 50 0 EHAARO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c(O)c1 ZINC000222149459 564036752 /nfs/dbraw/zinc/03/67/52/564036752.db2.gz GQITWLMVAXWLTC-BQFCYCMXSA-N 1 0 344.499 3.993 50 0 EHAARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cc1O ZINC000225424531 564046590 /nfs/dbraw/zinc/04/65/90/564046590.db2.gz IHJHWGUWYOBRFJ-WMLDXEAASA-N 1 0 327.424 3.835 50 0 EHAARO C[N@H+](CCC[C@H]1CCCO1)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244858606 564052298 /nfs/dbraw/zinc/05/22/98/564052298.db2.gz VOGAZANACSOPIM-KRWDZBQOSA-N 1 0 339.435 3.901 50 0 EHAARO Cc1cccc(CC(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000252489041 564053410 /nfs/dbraw/zinc/05/34/10/564053410.db2.gz JDXWGHZXQZULTH-FQEVSTJZSA-N 1 0 336.479 3.566 50 0 EHAARO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000252489432 564053444 /nfs/dbraw/zinc/05/34/44/564053444.db2.gz JRAOOIZSHRESHT-OAHLLOKOSA-N 1 0 338.879 3.644 50 0 EHAARO Cc1ccc2[nH]c(CN3CC[N@@H+](C)[C@@H](c4ccccc4)C3)nc2c1C ZINC000252509466 564053535 /nfs/dbraw/zinc/05/35/35/564053535.db2.gz YOHAVCGTAZYBND-LJQANCHMSA-N 1 0 334.467 3.668 50 0 EHAARO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000182845839 564056400 /nfs/dbraw/zinc/05/64/00/564056400.db2.gz AZLPBRGSSQTWQE-GFCCVEGCSA-N 1 0 344.406 3.812 50 0 EHAARO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H](C)CC2)no1 ZINC000063308513 564057062 /nfs/dbraw/zinc/05/70/62/564057062.db2.gz PIMXOBBSCTZDSA-KSSFIOAISA-N 1 0 327.428 3.785 50 0 EHAARO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012760569 564067508 /nfs/dbraw/zinc/06/75/08/564067508.db2.gz ICUCPHOIDUWIGP-AWEZNQCLSA-N 1 0 342.414 3.943 50 0 EHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000084689478 564069625 /nfs/dbraw/zinc/06/96/25/564069625.db2.gz UJOWPJBNOMZPGT-ZHALLVOQSA-N 1 0 326.484 3.582 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@H+](Cc3ccccc3)C(C)(C)C)nc12 ZINC000075110123 564080291 /nfs/dbraw/zinc/08/02/91/564080291.db2.gz GZJJUOSNWLNMNW-UHFFFAOYSA-N 1 0 335.451 3.804 50 0 EHAARO CC(C)Sc1ccc([C@@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129890010 564081815 /nfs/dbraw/zinc/08/18/15/564081815.db2.gz CBZCGVJMOYRCLH-HZPDHXFCSA-N 1 0 349.544 3.841 50 0 EHAARO COc1cc(C[NH2+]C2CCN(c3ccccn3)CC2)ccc1SC ZINC000063914359 564083170 /nfs/dbraw/zinc/08/31/70/564083170.db2.gz AJBPUKDAGFXQTO-UHFFFAOYSA-N 1 0 343.496 3.571 50 0 EHAARO COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2c(C)cc(C)nc2C)c1 ZINC000190924505 564084409 /nfs/dbraw/zinc/08/44/09/564084409.db2.gz SCXPKXVXBRPRQZ-DOTOQJQBSA-N 1 0 340.423 3.766 50 0 EHAARO CC(C)C[C@H](C)NC(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000075457195 564084919 /nfs/dbraw/zinc/08/49/19/564084919.db2.gz SRVWXMCUMQPDIG-INIZCTEOSA-N 1 0 341.499 3.931 50 0 EHAARO COc1ccc([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1 ZINC000090667986 564085812 /nfs/dbraw/zinc/08/58/12/564085812.db2.gz KSXPNQOIEYQLMH-DLBZAZTESA-N 1 0 339.483 3.966 50 0 EHAARO Cc1ccc(OCC[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000013013058 564086763 /nfs/dbraw/zinc/08/67/63/564086763.db2.gz OMEPJQWQZCLEKU-UHFFFAOYSA-N 1 0 338.451 3.725 50 0 EHAARO C[N@H+](CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253531174 564087089 /nfs/dbraw/zinc/08/70/89/564087089.db2.gz NDAWUPLIPPNPGL-OLJMEDMQSA-N 1 0 348.575 3.649 50 0 biogenic EHAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000075584122 564089667 /nfs/dbraw/zinc/08/96/67/564089667.db2.gz WSKJEVKUOWFTOZ-OAHLLOKOSA-N 1 0 327.428 3.534 50 0 EHAARO O=C(c1ccco1)N1CCC(Nc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000075611390 564089871 /nfs/dbraw/zinc/08/98/71/564089871.db2.gz SUWGWCUXXCUYDA-UHFFFAOYSA-N 1 0 339.370 3.684 50 0 EHAARO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cn3ccsc3n2)cc1 ZINC000192055018 564089991 /nfs/dbraw/zinc/08/99/91/564089991.db2.gz MDRQZBSJTZFWPM-CABCVRRESA-N 1 0 333.844 3.669 50 0 EHAARO CC(=O)NC1CCC([NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000279941653 564090329 /nfs/dbraw/zinc/09/03/29/564090329.db2.gz JJBPCIOQNXARRA-UHFFFAOYSA-N 1 0 330.403 3.623 50 0 EHAARO COCc1nccc([C@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)n1 ZINC000089420460 564090536 /nfs/dbraw/zinc/09/05/36/564090536.db2.gz UXMSTPQEIWXNHT-INIZCTEOSA-N 1 0 343.496 3.725 50 0 EHAARO CC[NH+](CC)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006605120 564093062 /nfs/dbraw/zinc/09/30/62/564093062.db2.gz ZPBWERVMXCTWHS-LJQANCHMSA-N 1 0 349.421 3.774 50 0 EHAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2nccc3ccccc32)cc1 ZINC000426599599 564094173 /nfs/dbraw/zinc/09/41/73/564094173.db2.gz NBZZHRAXOQJUMB-IBGZPJMESA-N 1 0 345.446 3.855 50 0 EHAARO Cc1cc(-c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)ccc1F ZINC000426593539 564094193 /nfs/dbraw/zinc/09/41/93/564094193.db2.gz BXYSWRWBNRIHHH-GOSISDBHSA-N 1 0 326.415 3.755 50 0 EHAARO CC(C)Oc1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)nc(N)n1 ZINC000426615066 564094214 /nfs/dbraw/zinc/09/42/14/564094214.db2.gz GPCCOKDRVWYPDZ-CQSZACIVSA-N 1 0 326.444 3.500 50 0 EHAARO CCCC[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000006936587 564101850 /nfs/dbraw/zinc/10/18/50/564101850.db2.gz AMAPPELIBOZYKL-NHCUHLMSSA-N 1 0 327.468 3.852 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2c1C ZINC000007007388 564103127 /nfs/dbraw/zinc/10/31/27/564103127.db2.gz TUTLXQVNXNEMPR-AWEZNQCLSA-N 1 0 327.472 3.779 50 0 EHAARO Cc1oc2c(c1C(=O)N1CCCC1)CN(Cc1cccc(F)c1)CC2 ZINC000065292005 564104697 /nfs/dbraw/zinc/10/46/97/564104697.db2.gz QMYCFTIMQWOLIF-UHFFFAOYSA-N 1 0 342.414 3.521 50 0 EHAARO CC(C)[N@H+](C)CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000065497466 564106506 /nfs/dbraw/zinc/10/65/06/564106506.db2.gz WOJMXVSOJDQDAG-SGZOKEPCSA-N 1 0 348.490 3.740 50 0 EHAARO COc1cccc2cc(C[NH2+]Cc3ccc(N4CCCC4)nc3)oc21 ZINC000065566934 564107008 /nfs/dbraw/zinc/10/70/08/564107008.db2.gz GNCVBPDMLVFLAN-UHFFFAOYSA-N 1 0 337.423 3.726 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)NCC1CCCC1 ZINC000065547727 564107356 /nfs/dbraw/zinc/10/73/56/564107356.db2.gz QLKLBJAEJJWRQH-HKUYNNGSSA-N 1 0 327.472 3.503 50 0 EHAARO FC(F)(F)c1ccn([C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000170593901 564108964 /nfs/dbraw/zinc/10/89/64/564108964.db2.gz MAAIKHLXNJLXON-HNNXBMFYSA-N 1 0 335.373 3.706 50 0 EHAARO CC[NH+]1CCN(c2cccc(N[C@@H](C)Cc3ccsc3)c2)CC1 ZINC000170608683 564109717 /nfs/dbraw/zinc/10/97/17/564109717.db2.gz JXKHXDHWPNQXKV-INIZCTEOSA-N 1 0 329.513 3.933 50 0 EHAARO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000170610756 564109753 /nfs/dbraw/zinc/10/97/53/564109753.db2.gz JHRHFWSLCYRKPS-UTKZUKDTSA-N 1 0 347.462 3.885 50 0 EHAARO C[N@@H+](Cc1csc2ccccc12)C[C@@H](O)COCc1ccco1 ZINC000076199948 564116247 /nfs/dbraw/zinc/11/62/47/564116247.db2.gz NPLCOKUEAGRYPK-OAHLLOKOSA-N 1 0 331.437 3.504 50 0 EHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000252428051 564118376 /nfs/dbraw/zinc/11/83/76/564118376.db2.gz OTTUUPAQKHWADJ-XYEHWOGUSA-N 1 0 345.527 3.883 50 0 EHAARO Cc1cc(NC(=O)c2cccc(C[NH3+])c2)ccc1NC(=O)c1ccco1 ZINC000252490884 564119556 /nfs/dbraw/zinc/11/95/56/564119556.db2.gz LDZOKTJFOYKXAH-UHFFFAOYSA-N 1 0 349.390 3.551 50 0 EHAARO C[C@]12CC3CC(C(=O)N[C@@H]4CC[N@@H+]5CCC[C@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000252512645 564120166 /nfs/dbraw/zinc/12/01/66/564120166.db2.gz UDAXJCVJNFABGB-ZDAGSOFHSA-N 1 0 330.516 3.726 50 0 EHAARO c1csc(N2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)c1 ZINC000194076643 564120379 /nfs/dbraw/zinc/12/03/79/564120379.db2.gz ZNSNUBBONITUCJ-BPQIPLTHSA-N 1 0 332.513 3.654 50 0 EHAARO COc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000252585797 564120818 /nfs/dbraw/zinc/12/08/18/564120818.db2.gz LEMUDHMFGISJTE-JQFCIGGWSA-N 1 0 331.412 3.604 50 0 EHAARO COc1ccc2c(C[N@@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)cc(=O)oc2c1 ZINC000065968586 564122641 /nfs/dbraw/zinc/12/26/41/564122641.db2.gz DAGHCLWWGMWIFG-KWOWKCNFSA-N 1 0 339.435 3.812 50 0 EHAARO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000004011476 564128947 /nfs/dbraw/zinc/12/89/47/564128947.db2.gz GLWKVBMAXIHLJD-YSNDBMGOSA-N 1 0 349.559 3.732 50 0 biogenic EHAARO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cccc(-c2ncco2)c1 ZINC000253370662 564130313 /nfs/dbraw/zinc/13/03/13/564130313.db2.gz ULGNNHDZKHFOFQ-ATZDWAIDSA-N 1 0 341.455 3.643 50 0 EHAARO C[N@H+](CCCNC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000253393217 564130491 /nfs/dbraw/zinc/13/04/91/564130491.db2.gz HSYBYCKEFDKHPQ-GOSISDBHSA-N 1 0 347.503 3.502 50 0 EHAARO C[N@H+](CCCNC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccc2)C1 ZINC000253393220 564130496 /nfs/dbraw/zinc/13/04/96/564130496.db2.gz HSYBYCKEFDKHPQ-SFHVURJKSA-N 1 0 347.503 3.502 50 0 EHAARO C[N@@H+]1CCC[C@H](CCNC(=O)N(Cc2ccsc2)C2CCCC2)C1 ZINC000584892851 564131592 /nfs/dbraw/zinc/13/15/92/564131592.db2.gz RREBPCAWVPWJGG-MRXNPFEDSA-N 1 0 349.544 3.934 50 0 EHAARO Cc1ccc2c(-c3cccc(C(=O)N4CC[C@@H]([NH3+])C4)c3)ccnc2c1C ZINC000584898608 564131707 /nfs/dbraw/zinc/13/17/07/564131707.db2.gz QKPVGPVCJZQXIL-GOSISDBHSA-N 1 0 345.446 3.692 50 0 EHAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Cl)cc1F ZINC000106136813 564132091 /nfs/dbraw/zinc/13/20/91/564132091.db2.gz YRYBNMAQJKAWBX-UPJWGTAASA-N 1 0 326.843 3.575 50 0 EHAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2c(cccc2Cl)[nH]1 ZINC000225421589 564134588 /nfs/dbraw/zinc/13/45/88/564134588.db2.gz ZIAOWARRTKNEFG-FZKQIMNGSA-N 1 0 345.874 3.816 50 0 biogenic EHAARO CN1CCC([NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000013165270 564136125 /nfs/dbraw/zinc/13/61/25/564136125.db2.gz ADALDZPUHJXOAI-FQEVSTJZSA-N 1 0 333.479 3.984 50 0 EHAARO CS[C@H]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000078966715 564137474 /nfs/dbraw/zinc/13/74/74/564137474.db2.gz GYJNVQBBOJWAGX-KGLIPLIRSA-N 1 0 346.496 3.851 50 0 EHAARO C[NH+]1CCC(NC(=O)Nc2cccc(COC3CCCCC3)c2)CC1 ZINC000079116922 564137985 /nfs/dbraw/zinc/13/79/85/564137985.db2.gz IZFJMTRJJULROG-UHFFFAOYSA-N 1 0 345.487 3.752 50 0 EHAARO COc1ccccc1N1CCC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000095422619 564140082 /nfs/dbraw/zinc/14/00/82/564140082.db2.gz BSMUVYXYMGJKDY-YOEHRIQHSA-N 1 0 329.419 3.549 50 0 EHAARO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(Br)s1 ZINC000095422939 564140140 /nfs/dbraw/zinc/14/01/40/564140140.db2.gz HVCZKYUEJZQQIK-SCZZXKLOSA-N 1 0 332.288 3.956 50 0 EHAARO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000095437465 564140477 /nfs/dbraw/zinc/14/04/77/564140477.db2.gz XKFXCFLIWQWHKC-UHFFFAOYSA-N 1 0 327.428 3.590 50 0 EHAARO COc1cccc(CN(C)C(=O)C[NH2+][C@@H](C)c2cc(C)sc2C)c1 ZINC000095462578 564140848 /nfs/dbraw/zinc/14/08/48/564140848.db2.gz LDMIETXOOFSTGZ-AWEZNQCLSA-N 1 0 346.496 3.683 50 0 EHAARO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)CCO1 ZINC000095465781 564141007 /nfs/dbraw/zinc/14/10/07/564141007.db2.gz XOGHFBFSVMGSHM-MOPGFXCFSA-N 1 0 342.487 3.556 50 0 EHAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000095466076 564141012 /nfs/dbraw/zinc/14/10/12/564141012.db2.gz BRMDUIIHVCEWOR-QMTHXVAHSA-N 1 0 328.243 3.551 50 0 EHAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000095968005 564143132 /nfs/dbraw/zinc/14/31/32/564143132.db2.gz PVRSDEODIZQDRU-CHWSQXEVSA-N 1 0 327.428 3.830 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cnc2ccsc2c1 ZINC000095969220 564143397 /nfs/dbraw/zinc/14/33/97/564143397.db2.gz SLDGSVWULGHTGN-GXTWGEPZSA-N 1 0 342.443 3.760 50 0 EHAARO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000095983736 564143826 /nfs/dbraw/zinc/14/38/26/564143826.db2.gz JFXBYXLZTNCKGB-KBXCAEBGSA-N 1 0 344.405 3.681 50 0 EHAARO CC(C)[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1F ZINC000096005927 564144548 /nfs/dbraw/zinc/14/45/48/564144548.db2.gz VBSWGUJXEUPXQT-INIZCTEOSA-N 1 0 347.883 3.591 50 0 EHAARO C[C@H](c1cccc(O)c1)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000096012988 564144771 /nfs/dbraw/zinc/14/47/71/564144771.db2.gz QOPNDUADGSDDQT-OAHLLOKOSA-N 1 0 332.488 3.670 50 0 EHAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000096183738 564145848 /nfs/dbraw/zinc/14/58/48/564145848.db2.gz IDYOLDUMPZHMCO-JOCHJYFZSA-N 1 0 348.490 3.947 50 0 EHAARO C[C@H](C(=O)N1CCCC[C@@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000096280599 564146386 /nfs/dbraw/zinc/14/63/86/564146386.db2.gz AFUVMSHCDJOBHL-ZWKOTPCHSA-N 1 0 328.500 3.731 50 0 EHAARO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028235232 564150803 /nfs/dbraw/zinc/15/08/03/564150803.db2.gz VGQRCMROXSYUNO-JXFKEZNVSA-N 1 0 338.451 3.537 50 0 EHAARO O[C@H](C[NH2+]Cc1ccccc1F)COc1cccc2ccccc21 ZINC000002653741 564151933 /nfs/dbraw/zinc/15/19/33/564151933.db2.gz HFTPGLHQTSXLAI-QGZVFWFLSA-N 1 0 325.383 3.508 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)nc2sccn21 ZINC000057871940 564156307 /nfs/dbraw/zinc/15/63/07/564156307.db2.gz DHJCGCTXRYBIIS-INIZCTEOSA-N 1 0 331.485 3.691 50 0 EHAARO CCC[NH+]1CCC(Nc2ccc(Cl)c(C[S@](C)=O)c2)CC1 ZINC000132983393 564157516 /nfs/dbraw/zinc/15/75/16/564157516.db2.gz XAAOYCDZTRJALQ-OAQYLSRUSA-N 1 0 328.909 3.505 50 0 EHAARO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000058404518 564159018 /nfs/dbraw/zinc/15/90/18/564159018.db2.gz UFBVATCXSMAFGB-LPHOPBHVSA-N 1 0 340.467 3.717 50 0 EHAARO O=C(NCCc1[nH+]cc2ccccn21)c1ccc(Cl)c(Cl)c1 ZINC000031773100 564159794 /nfs/dbraw/zinc/15/97/94/564159794.db2.gz IVBCIKHMQNXJRO-UHFFFAOYSA-N 1 0 334.206 3.614 50 0 EHAARO CC(C)(C)n1ncnc1-c1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000670458605 564160779 /nfs/dbraw/zinc/16/07/79/564160779.db2.gz BUMFTGBNZXPSTP-UHFFFAOYSA-N 1 0 336.439 3.851 50 0 EHAARO CCOc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000008533240 564165607 /nfs/dbraw/zinc/16/56/07/564165607.db2.gz BOBNILHPUQNFFV-INIZCTEOSA-N 1 0 326.440 3.853 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000040120673 564168244 /nfs/dbraw/zinc/16/82/44/564168244.db2.gz LWSVIIJUDTXURZ-HUUCEWRRSA-N 1 0 347.484 3.847 50 0 EHAARO C[C@@H](CC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000069420266 564169388 /nfs/dbraw/zinc/16/93/88/564169388.db2.gz AVUQYNYJHQLGGY-KRWDZBQOSA-N 1 0 343.515 3.769 50 0 EHAARO Cc1ccc(/C=C/C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)o1 ZINC000069483874 564169802 /nfs/dbraw/zinc/16/98/02/564169802.db2.gz QJNDFBYJNWBTKI-MDZDMXLPSA-N 1 0 339.439 3.746 50 0 EHAARO CSCCc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000069684463 564171445 /nfs/dbraw/zinc/17/14/45/564171445.db2.gz FKVBYOVEXSBECY-UHFFFAOYSA-N 1 0 347.528 3.684 50 0 EHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)o2)CC1 ZINC000009470914 564173827 /nfs/dbraw/zinc/17/38/27/564173827.db2.gz VTHMGMPRDNXZCK-UHFFFAOYSA-N 1 0 347.846 3.636 50 0 EHAARO CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000071870777 564176160 /nfs/dbraw/zinc/17/61/60/564176160.db2.gz JZOOUGCSRVHNGU-KZNAEPCWSA-N 1 0 341.430 3.552 50 0 EHAARO CC(C)[NH2+]Cc1cc(-c2ccc(Br)cc2Cl)n[nH]1 ZINC000168312836 1016844185 /nfs/dbraw/zinc/84/41/85/1016844185.db2.gz XISAXTKKVLMJMO-UHFFFAOYSA-N 1 0 328.641 3.991 50 0 EHAARO COc1cccc(C[C@]2(CO)CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000020599912 1018188876 /nfs/dbraw/zinc/18/88/76/1018188876.db2.gz WAFAMLPOHDLYLO-JOCHJYFZSA-N 1 0 339.479 3.555 50 0 EHAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)c1 ZINC000120622310 1025045110 /nfs/dbraw/zinc/04/51/10/1025045110.db2.gz DNFRJECCKCROGG-IBGZPJMESA-N 1 0 337.423 3.917 50 0 EHAARO CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000262164314 1025408222 /nfs/dbraw/zinc/40/82/22/1025408222.db2.gz HFHOOZIFLLJFGE-SFHVURJKSA-N 1 0 345.487 3.907 50 0 EHAARO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cnn1C1CCCC1 ZINC000138227673 1027090545 /nfs/dbraw/zinc/09/05/45/1027090545.db2.gz UFHBKHGTEJJAEO-HNNXBMFYSA-N 1 0 346.519 3.547 50 0 EHAARO C[N@H+](CCc1ccccn1)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000023505688 1035464764 /nfs/dbraw/zinc/46/47/64/1035464764.db2.gz KYVZJAFMYNOMCI-HXUWFJFHSA-N 1 0 343.515 3.517 50 0 EHAARO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@@H]2CCC[NH2+]C2)s1 ZINC000178037713 1035573763 /nfs/dbraw/zinc/57/37/63/1035573763.db2.gz OLBBGIJDRYXFHV-CYBMUJFWSA-N 1 0 349.887 3.634 50 0 EHAARO c1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc2c1OCO2 ZINC000022078100 1039712763 /nfs/dbraw/zinc/71/27/63/1039712763.db2.gz KHJGVIHWNXKXPN-NQIIRXRSSA-N 1 0 342.483 3.644 50 0 EHAARO CCCOc1c(C[N@@H+]2CC[C@@](CO)(CCC)C2)cccc1OCC ZINC000809791103 1040140775 /nfs/dbraw/zinc/14/07/75/1040140775.db2.gz UELZZOPQSNWHRU-FQEVSTJZSA-N 1 0 335.488 3.859 50 0 EHAARO OCC1CC([NH2+][C@@H](c2ccc(Cl)s2)c2ccc(F)cc2)C1 ZINC000888098124 1043248528 /nfs/dbraw/zinc/24/85/28/1043248528.db2.gz AOSRYTDPOAMMRD-YYXKQKMLSA-N 1 0 325.836 3.991 50 0 EHAARO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(OC)cn1 ZINC000888098575 1043262546 /nfs/dbraw/zinc/26/25/46/1043262546.db2.gz LFSFPGHUKCTCSW-WMZOPIPTSA-N 1 0 329.444 3.561 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2)o1 ZINC000825197823 1131256708 /nfs/dbraw/zinc/25/67/08/1131256708.db2.gz KAWGEUIKSCYLSB-UHFFFAOYSA-N 1 0 347.418 3.612 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000575550223 1131572334 /nfs/dbraw/zinc/57/23/34/1131572334.db2.gz QNSLTYJPRLVTSH-UHFFFAOYSA-N 1 0 337.467 3.865 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC000581787892 1132356215 /nfs/dbraw/zinc/35/62/15/1132356215.db2.gz HEOHNBBMJAKNCZ-QGZVFWFLSA-N 1 0 332.463 3.800 50 0 EHAARO Cc1cccc(CC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)CC2)c1 ZINC000581788086 1132356269 /nfs/dbraw/zinc/35/62/69/1132356269.db2.gz SKQAMPDNLYGERN-HXUWFJFHSA-N 1 0 342.527 3.898 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3ccsc3)CC2)CC1 ZINC000581787829 1132356496 /nfs/dbraw/zinc/35/64/96/1132356496.db2.gz DIZAOYNZMRZJBW-KRWDZBQOSA-N 1 0 334.529 3.651 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)c2cccc(F)c2)CC1 ZINC000581788203 1132356563 /nfs/dbraw/zinc/35/65/63/1132356563.db2.gz XMOLFCDMNSTXBX-LJQANCHMSA-N 1 0 332.463 3.942 50 0 EHAARO CCC(CC)C[NH+]1CCC2(CC1)C[C@H](Cc1nc(C)no1)CCO2 ZINC000581804673 1132366787 /nfs/dbraw/zinc/36/67/87/1132366787.db2.gz WPQCLRMQGRGYTA-KRWDZBQOSA-N 1 0 335.492 3.618 50 0 EHAARO COc1ccc(C(=O)N2CC[C@H](n3c(C)c[nH+]c3C3CCC3)C2)cc1 ZINC000581808192 1132370587 /nfs/dbraw/zinc/37/05/87/1132370587.db2.gz XVOYNMZILCJHMD-KRWDZBQOSA-N 1 0 339.439 3.555 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581807695 1132371046 /nfs/dbraw/zinc/37/10/46/1132371046.db2.gz QKUWHSPQUPZBSV-MRXNPFEDSA-N 1 0 344.503 3.823 50 0 EHAARO Cc1ccc(C(=O)N2CC[C@H](Cn3c(C)c[nH+]c3C3CC3)C2)s1 ZINC000581813653 1132376889 /nfs/dbraw/zinc/37/68/89/1132376889.db2.gz BFYPWZDFXACREL-AWEZNQCLSA-N 1 0 329.469 3.601 50 0 EHAARO Cc1cc2ccccc2c(N2CCC[C@@H](CNC(=O)c3ccco3)C2)[nH+]1 ZINC000585079922 1136964282 /nfs/dbraw/zinc/96/42/82/1136964282.db2.gz DCEDOMXCEVTSCJ-INIZCTEOSA-N 1 0 349.434 3.783 50 0 EHAARO CCOc1cc2c(cc1C[N@H+]1CCC3(CC(OCC)C3)C1)O[C@@H](C)C2 ZINC000585081845 1136965369 /nfs/dbraw/zinc/96/53/69/1136965369.db2.gz KZJLZASRTIVLSM-SBGRQLAYSA-N 1 0 345.483 3.800 50 0 EHAARO CC(C)(C)[NH2+]Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000585117754 1137010524 /nfs/dbraw/zinc/01/05/24/1137010524.db2.gz VSAIFOPJUPBNJY-UHFFFAOYSA-N 1 0 337.464 3.677 50 0 EHAARO O=C(C1CC=CC1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000585131163 1137020737 /nfs/dbraw/zinc/02/07/37/1137020737.db2.gz NKNKDWNMNALBEZ-UHFFFAOYSA-N 1 0 338.495 3.857 50 0 EHAARO CCN1CCCC[C@@H]1C[NH2+]Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952971445 1137484254 /nfs/dbraw/zinc/48/42/54/1137484254.db2.gz OIGVKRGCELWCBC-MRXNPFEDSA-N 1 0 333.863 3.558 50 0 EHAARO O=C(C[NH+]1CCCCCC1)Nc1ccc([C@@H](O)c2cccs2)cc1 ZINC000952972423 1137484297 /nfs/dbraw/zinc/48/42/97/1137484297.db2.gz XJTHODFXXOOQLV-LJQANCHMSA-N 1 0 344.480 3.644 50 0 EHAARO Cc1ccccc1N1CCC([NH2+]CCCn2ccnc2C(C)C)CC1 ZINC000952976425 1137484460 /nfs/dbraw/zinc/48/44/60/1137484460.db2.gz WIVSEHKDWYUISZ-UHFFFAOYSA-N 1 0 340.515 3.964 50 0 EHAARO O=C1CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CCN1CC1CC1 ZINC000952968653 1137485042 /nfs/dbraw/zinc/48/50/42/1137485042.db2.gz CSTJOMOJZXVGOP-HNNXBMFYSA-N 1 0 340.389 3.586 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cccc(Cl)c1)c1ccccc1 ZINC000002635031 1138062272 /nfs/dbraw/zinc/06/22/72/1138062272.db2.gz FEEBVMWXLMFHPL-DXRVJIQQSA-N 1 0 328.843 3.772 50 0 EHAARO C/C(=C\c1ccccc1)C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000221754782 1138213051 /nfs/dbraw/zinc/21/30/51/1138213051.db2.gz JRCKDJRLTSCLAM-KNTRCKAVSA-N 1 0 328.500 3.715 50 0 EHAARO Cc1cc(C)cc([C@@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000107333076 1139722368 /nfs/dbraw/zinc/72/23/68/1139722368.db2.gz ZAWYWHLLNWLTHF-MRXNPFEDSA-N 1 0 331.504 3.927 50 0 EHAARO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1cc2c(cc1OC)OCO2 ZINC000055088114 214271132 /nfs/dbraw/zinc/27/11/32/214271132.db2.gz LOEDDUMVPXFOAZ-AWEZNQCLSA-N 1 0 328.412 3.620 50 0 EHAARO CCCSc1ncc(C[NH2+][C@H](C)c2c(C)nn(CC)c2C)cn1 ZINC000055108382 214274490 /nfs/dbraw/zinc/27/44/90/214274490.db2.gz CKVOOTMUDHAKOE-GFCCVEGCSA-N 1 0 333.505 3.663 50 0 EHAARO CC[C@@H](C)C[NH+]1CCC(n2cc(-c3ccc(OC)cc3)nn2)CC1 ZINC000055120593 214275710 /nfs/dbraw/zinc/27/57/10/214275710.db2.gz WKNWBHRZXZKHCD-OAHLLOKOSA-N 1 0 328.460 3.637 50 0 EHAARO Cc1nn(C(C)C)c(C)c1CN(C)C(=O)CC[NH+]1CCCCCCC1 ZINC000055308785 214305672 /nfs/dbraw/zinc/30/56/72/214305672.db2.gz ZPEPJRNXWKQBAM-UHFFFAOYSA-N 1 0 348.535 3.695 50 0 EHAARO CC1(C)CC(NC(=S)Nc2ccccc2Cl)CC(C)(C)[NH2+]1 ZINC000004685194 210247935 /nfs/dbraw/zinc/24/79/35/210247935.db2.gz OORPBQCQTJCDHN-UHFFFAOYSA-N 1 0 325.909 3.936 50 0 EHAARO C[C@H](c1cccc(-c2ncccc2C(=O)N2CCCCC2)c1)[NH+](C)C ZINC000097784721 219056914 /nfs/dbraw/zinc/05/69/14/219056914.db2.gz SKQATNRMZCFNEU-MRXNPFEDSA-N 1 0 337.467 3.997 50 0 EHAARO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(OC)c1OC ZINC000004685559 210247225 /nfs/dbraw/zinc/24/72/25/210247225.db2.gz LCCILLJWJOJHJU-UHFFFAOYSA-N 1 0 331.456 3.771 50 0 EHAARO C[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000055899956 214347104 /nfs/dbraw/zinc/34/71/04/214347104.db2.gz PABBNPOONSZGRI-CYBMUJFWSA-N 1 0 346.521 3.704 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)cc2)N3)C1 ZINC000004555607 210220504 /nfs/dbraw/zinc/22/05/04/210220504.db2.gz GZRMWNYCEIEVBH-INIZCTEOSA-N 1 0 343.452 3.564 50 0 EHAARO [NH3+]CCc1nc2ccccc2c(N[C@H](c2ccco2)c2ccccc2)n1 ZINC000065396670 214889301 /nfs/dbraw/zinc/88/93/01/214889301.db2.gz OLSHHAITLCLENM-FQEVSTJZSA-N 1 0 344.418 3.926 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(=O)n(-c2ccccc2)n1C ZINC000004022322 210102316 /nfs/dbraw/zinc/10/23/16/210102316.db2.gz WMSDSHMGTFQZQA-PXNSSMCTSA-N 1 0 339.483 3.639 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000003911489 210092899 /nfs/dbraw/zinc/09/28/99/210092899.db2.gz QERCMFSDTLFCBE-AWEZNQCLSA-N 1 0 331.485 3.714 50 0 EHAARO CCCC[NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003277457 209994990 /nfs/dbraw/zinc/99/49/90/209994990.db2.gz LIXGVVWDKPDEAT-UHFFFAOYSA-N 1 0 326.396 3.923 50 0 EHAARO COC[C@@H](C)[NH2+]Cc1nc(-c2ccc(C)cc2)c(-c2ccccn2)[nH]1 ZINC000067514071 215156718 /nfs/dbraw/zinc/15/67/18/215156718.db2.gz ZYPDNMIWQWRYTE-OAHLLOKOSA-N 1 0 336.439 3.572 50 0 EHAARO CC1CC[NH+](CCOCCOc2ccc(Br)cc2)CC1 ZINC000002190771 209829436 /nfs/dbraw/zinc/82/94/36/209829436.db2.gz IKNAQBOZMZGADT-UHFFFAOYSA-N 1 0 342.277 3.576 50 0 EHAARO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000069043050 215355282 /nfs/dbraw/zinc/35/52/82/215355282.db2.gz DBQHDPDUVYUSFJ-UHFFFAOYSA-N 1 0 342.508 3.831 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1ccsc1 ZINC000040107982 213266864 /nfs/dbraw/zinc/26/68/64/213266864.db2.gz ZMKBNANAXSSGSI-INIZCTEOSA-N 1 0 338.423 3.839 50 0 EHAARO c1sc(Cc2ccccc2)nc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000040105883 213266028 /nfs/dbraw/zinc/26/60/28/213266028.db2.gz OGHDEIXAPCDZTB-INIZCTEOSA-N 1 0 328.481 3.735 50 0 EHAARO CC(C)c1cc(C(=O)NCCC[N@@H+](C)C(C)C)c2ccccc2n1 ZINC000040090694 213263016 /nfs/dbraw/zinc/26/30/16/213263016.db2.gz MYKFIWDCQZDASA-UHFFFAOYSA-N 1 0 327.472 3.818 50 0 EHAARO O[C@H](c1ccccc1)C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000040050246 213255868 /nfs/dbraw/zinc/25/58/68/213255868.db2.gz DVYIFRNFSDXYRS-JOCHJYFZSA-N 1 0 347.462 3.818 50 0 EHAARO O=C(NCc1ccc(Cl)cc1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000038674546 213220980 /nfs/dbraw/zinc/22/09/80/213220980.db2.gz URMGGBSIXQACEI-UHFFFAOYSA-N 1 0 349.906 3.794 50 0 EHAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C(C)C)cc1 ZINC000036102221 213067321 /nfs/dbraw/zinc/06/73/21/213067321.db2.gz GFFXSDMZJVOFCZ-LJQANCHMSA-N 1 0 343.467 3.654 50 0 EHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)Cc2ccccc2)cc1 ZINC000036095168 213062725 /nfs/dbraw/zinc/06/27/25/213062725.db2.gz CXVLPAIUQQBNFK-HXUWFJFHSA-N 1 0 327.468 3.757 50 0 EHAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@H](O)COCc1ccco1 ZINC000036096661 213062785 /nfs/dbraw/zinc/06/27/85/213062785.db2.gz YOSCAQNJUITBFR-INIZCTEOSA-N 1 0 337.485 3.767 50 0 EHAARO CC(C)OCc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000071857029 215886713 /nfs/dbraw/zinc/88/67/13/215886713.db2.gz LEHZXDCIUFPHFQ-IBGZPJMESA-N 1 0 345.487 3.704 50 0 EHAARO Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000071892288 215928731 /nfs/dbraw/zinc/92/87/31/215928731.db2.gz VCAINPHCHQQGPW-UHFFFAOYSA-N 1 0 343.496 3.532 50 0 EHAARO C[NH+](C)C1CCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1 ZINC000072027820 215996536 /nfs/dbraw/zinc/99/65/36/215996536.db2.gz HYOITHJBSKIZIF-UHFFFAOYSA-N 1 0 332.444 3.720 50 0 EHAARO CC1(C)C[C@H](C[N@@H+]2CCCN(Cc3ccccc3F)CC2)CCO1 ZINC000072127344 216018206 /nfs/dbraw/zinc/01/82/06/216018206.db2.gz AYCRXVAKLJHQQE-QGZVFWFLSA-N 1 0 334.479 3.539 50 0 EHAARO C[C@H](c1cncs1)N(C)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072129632 216021022 /nfs/dbraw/zinc/02/10/22/216021022.db2.gz DFEMZMPXGHMQMG-CQSZACIVSA-N 1 0 343.496 3.518 50 0 EHAARO Cc1c(Cl)cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000072135218 216024035 /nfs/dbraw/zinc/02/40/35/216024035.db2.gz QEAXUWKVQACJCO-CYBMUJFWSA-N 1 0 329.271 3.858 50 0 EHAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2cccc3nccnc23)CC1 ZINC000072146483 216034150 /nfs/dbraw/zinc/03/41/50/216034150.db2.gz CCLMHEGGUNZMRV-UHFFFAOYSA-N 1 0 345.446 3.753 50 0 EHAARO c1cncc(CO[C@H]2CCC[N@H+](Cc3cccc4cnccc43)C2)c1 ZINC000072152870 216040796 /nfs/dbraw/zinc/04/07/96/216040796.db2.gz VDDPABGQTFWKMR-FQEVSTJZSA-N 1 0 333.435 3.811 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154807 216043370 /nfs/dbraw/zinc/04/33/70/216043370.db2.gz YEFVLFJXUHFRAA-MRXNPFEDSA-N 1 0 326.431 3.840 50 0 EHAARO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000072158905 216047882 /nfs/dbraw/zinc/04/78/82/216047882.db2.gz JRBIOCDECAORMW-OAHLLOKOSA-N 1 0 328.481 3.893 50 0 EHAARO Cc1c[nH]c(C[N@@H+]2CCCC[C@@H]2CCc2cccc(O)c2)c(C)c1=O ZINC000072163552 216052059 /nfs/dbraw/zinc/05/20/59/216052059.db2.gz DUOYQZHVNLTKSB-GOSISDBHSA-N 1 0 340.467 3.685 50 0 EHAARO COc1ccccc1[C@@H](CNc1nc2ccccc2nc1C)[NH+](C)C ZINC000030007859 212688319 /nfs/dbraw/zinc/68/83/19/212688319.db2.gz SLISFBPLAMDOPF-GOSISDBHSA-N 1 0 336.439 3.662 50 0 EHAARO COc1ccc(-c2nc3c(C)cccc3cc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000072429626 216222080 /nfs/dbraw/zinc/22/20/80/216222080.db2.gz XWLHUKNTZOMYQF-LJQANCHMSA-N 1 0 348.446 3.785 50 0 EHAARO COc1ccc(-n2cc(C[NH+](C)C)c(-c3cccc(F)c3)n2)cc1 ZINC000072477070 216256067 /nfs/dbraw/zinc/25/60/67/216256067.db2.gz WCILMOXSXIKGLG-UHFFFAOYSA-N 1 0 325.387 3.749 50 0 EHAARO O=c1c2sccc2ncn1CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000072608696 216280842 /nfs/dbraw/zinc/28/08/42/216280842.db2.gz BBBBQDMNHGTRIE-KRWDZBQOSA-N 1 0 339.464 3.589 50 0 EHAARO O=C([C@@H]1CCc2ccccc21)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000215354740 241119149 /nfs/dbraw/zinc/11/91/49/241119149.db2.gz KYINKJMIFGSBMW-LJQANCHMSA-N 1 0 340.492 3.512 50 0 EHAARO Cc1cccc(SC2CC[NH+](Cc3cnn4cccnc34)CC2)c1 ZINC000216266692 241177343 /nfs/dbraw/zinc/17/73/43/241177343.db2.gz PWJHOWICGQACOZ-UHFFFAOYSA-N 1 0 338.480 3.794 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000022010269 212270107 /nfs/dbraw/zinc/27/01/07/212270107.db2.gz FDNQELKSTVNRLJ-RYUDHWBXSA-N 1 0 330.501 3.630 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccsc1 ZINC000229159009 242148660 /nfs/dbraw/zinc/14/86/60/242148660.db2.gz UFPPUXBPGWKWRY-IACUBPJLSA-N 1 0 348.434 3.836 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000020940341 212192189 /nfs/dbraw/zinc/19/21/89/212192189.db2.gz CXWKAZJITLTODG-NXEZZACHSA-N 1 0 340.221 3.570 50 0 EHAARO c1cc(C[NH2+]C2CCCCC2)n(-c2nnc(N3CCCCC3)s2)c1 ZINC000020942897 212191899 /nfs/dbraw/zinc/19/18/99/212191899.db2.gz HGINJHGARLBSII-UHFFFAOYSA-N 1 0 345.516 3.741 50 0 EHAARO C/C(=C\c1ccco1)C[NH2+][C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020914883 212185536 /nfs/dbraw/zinc/18/55/36/212185536.db2.gz TUAVBQPCYPKAGO-KZFLWGQDSA-N 1 0 336.479 3.904 50 0 EHAARO C[C@H]1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000253419266 243950269 /nfs/dbraw/zinc/95/02/69/243950269.db2.gz FBAORFZEBXCIDI-ZAAXVRCTSA-N 1 0 340.442 3.762 50 0 EHAARO CN(C)CC[NH2+]CCCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000020418857 212126825 /nfs/dbraw/zinc/12/68/25/212126825.db2.gz KIDMDDNSTDIQHJ-UHFFFAOYSA-N 1 0 346.902 3.851 50 0 EHAARO C[C@H]1C[NH+](CCCCOc2ccccc2Br)C[C@H](C)O1 ZINC000020166960 212108034 /nfs/dbraw/zinc/10/80/34/212108034.db2.gz FIPKWASTKUDGBW-KBPBESRZSA-N 1 0 342.277 3.717 50 0 EHAARO Cc1cccnc1C[C@H](C)N(C)C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020149322 212106257 /nfs/dbraw/zinc/10/62/57/212106257.db2.gz NMCIFNLODLKHFE-GJZGRUSLSA-N 1 0 343.496 3.579 50 0 EHAARO Fc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Br ZINC000020124447 212104277 /nfs/dbraw/zinc/10/42/77/212104277.db2.gz TWSMAZBORLRLQM-UHFFFAOYSA-N 1 0 338.176 3.607 50 0 EHAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000019366917 212022326 /nfs/dbraw/zinc/02/23/26/212022326.db2.gz NIWVZGXKGHYTQW-HXUWFJFHSA-N 1 0 342.458 3.979 50 0 EHAARO CC(=O)Nc1ccc(CC[NH2+]Cc2csc(C(C)(C)C)n2)cc1 ZINC000078411738 217050105 /nfs/dbraw/zinc/05/01/05/217050105.db2.gz CRMUPYANCKVHPO-UHFFFAOYSA-N 1 0 331.485 3.731 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)ccc1F ZINC000012919839 211484286 /nfs/dbraw/zinc/48/42/86/211484286.db2.gz VHULUIHXSUPPNQ-UHFFFAOYSA-N 1 0 344.405 3.881 50 0 EHAARO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000089807083 217848235 /nfs/dbraw/zinc/84/82/35/217848235.db2.gz FLTHDOPLLWKQCW-GOSISDBHSA-N 1 0 344.842 3.815 50 0 EHAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C(=O)C1CCCC1 ZINC000012442256 211382899 /nfs/dbraw/zinc/38/28/99/211382899.db2.gz BAQYAAAEGCEWFX-GOSISDBHSA-N 1 0 346.490 3.729 50 0 EHAARO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]C2CCOCC2)cc1 ZINC000012437786 211381063 /nfs/dbraw/zinc/38/10/63/211381063.db2.gz PAUHWPXTIHBWTO-LJQANCHMSA-N 1 0 339.483 3.963 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000012382487 211362948 /nfs/dbraw/zinc/36/29/48/211362948.db2.gz FXGQYTZEVMGXCK-UHFFFAOYSA-N 1 0 336.479 3.808 50 0 EHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccc(F)c1 ZINC000012050261 211282323 /nfs/dbraw/zinc/28/23/23/211282323.db2.gz YNQQNQFDQIMHOO-SFHVURJKSA-N 1 0 344.405 3.636 50 0 EHAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000011873495 211261284 /nfs/dbraw/zinc/26/12/84/211261284.db2.gz PNJFUMIHCZPRCG-QGZVFWFLSA-N 1 0 331.456 3.548 50 0 EHAARO Cc1cnccc1C[NH+]1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091737529 218055458 /nfs/dbraw/zinc/05/54/58/218055458.db2.gz KDURJNYKRGDDQB-UHFFFAOYSA-N 1 0 341.499 3.537 50 0 EHAARO Cc1cc2cc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)ccc2o1 ZINC000091746594 218058225 /nfs/dbraw/zinc/05/82/25/218058225.db2.gz GQEXTXIPBCQNCN-UHFFFAOYSA-N 1 0 334.419 3.529 50 0 EHAARO OCc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)o1 ZINC000091891839 218083573 /nfs/dbraw/zinc/08/35/73/218083573.db2.gz MKIGOAUPRPFJOY-YOEHRIQHSA-N 1 0 335.469 3.702 50 0 EHAARO Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1C(C)C ZINC000010812558 211189673 /nfs/dbraw/zinc/18/96/73/211189673.db2.gz FHPHUFMBNOLDNL-UHFFFAOYSA-N 1 0 346.515 3.923 50 0 EHAARO Cc1cccnc1CN1CCC[C@H]([N@H+](C)Cc2ncccc2C)CC1 ZINC000093208431 218202833 /nfs/dbraw/zinc/20/28/33/218202833.db2.gz IYCKLPBCVJHUDV-IBGZPJMESA-N 1 0 338.499 3.580 50 0 EHAARO Cc1cccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccncc2)n1 ZINC000093453572 218227992 /nfs/dbraw/zinc/22/79/92/218227992.db2.gz IUYUPVRWHSBTNP-LJQANCHMSA-N 1 0 333.439 3.523 50 0 EHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Cl ZINC000095363347 218296904 /nfs/dbraw/zinc/29/69/04/218296904.db2.gz KHJLDLDEOSIDGD-AWEZNQCLSA-N 1 0 348.796 3.849 50 0 EHAARO CCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000095382473 218314755 /nfs/dbraw/zinc/31/47/55/218314755.db2.gz HQDAQUWIFUAOCR-INIZCTEOSA-N 1 0 338.879 3.572 50 0 EHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095383217 218316070 /nfs/dbraw/zinc/31/60/70/218316070.db2.gz KLVKBIHENKDIFO-KRWDZBQOSA-N 1 0 328.460 3.668 50 0 EHAARO Cc1ccc([C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C(C)(C)C)o1 ZINC000095400339 218334209 /nfs/dbraw/zinc/33/42/09/218334209.db2.gz INNKCJLSWHAPDG-NVXWUHKLSA-N 1 0 333.476 3.555 50 0 EHAARO C[C@H]1CN(c2ccc(C[NH2+][C@@H]3CCCc4sccc43)cn2)CCO1 ZINC000095420357 218360915 /nfs/dbraw/zinc/36/09/15/218360915.db2.gz FWLJBSGNLQZFNG-WMLDXEAASA-N 1 0 343.496 3.535 50 0 EHAARO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cncc(F)c1 ZINC000095421047 218363082 /nfs/dbraw/zinc/36/30/82/218363082.db2.gz POJUCCZQAXUCFV-QWHCGFSZSA-N 1 0 335.373 3.676 50 0 EHAARO C[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)Sc1ccccc1 ZINC000095423423 218366057 /nfs/dbraw/zinc/36/60/57/218366057.db2.gz AONPUTBKMDPDHY-CABCVRRESA-N 1 0 349.521 3.922 50 0 EHAARO CN(C)c1ncccc1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000095439958 218383553 /nfs/dbraw/zinc/38/35/53/218383553.db2.gz GAZCFMRIKVVFIJ-UHFFFAOYSA-N 1 0 327.325 3.595 50 0 EHAARO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](C)c2cccc(Cl)c2)c1 ZINC000095452899 218396152 /nfs/dbraw/zinc/39/61/52/218396152.db2.gz PTIXUMXLHIOPHJ-FZKQIMNGSA-N 1 0 349.858 3.784 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-n2cccc2)cc1 ZINC000008163302 210904812 /nfs/dbraw/zinc/90/48/12/210904812.db2.gz QSDKBCPMRZOXRV-LJQANCHMSA-N 1 0 349.434 3.637 50 0 EHAARO O[C@H](C[NH2+]CCC1=CCCCC1)CO[C@@H]1CCCc2ccccc21 ZINC000007777150 210844671 /nfs/dbraw/zinc/84/46/71/210844671.db2.gz LGUIMFRNFPBGFE-TZIWHRDSSA-N 1 0 329.484 3.922 50 0 EHAARO CCC[NH+]1CCC(Nc2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000007468613 210804786 /nfs/dbraw/zinc/80/47/86/210804786.db2.gz FRTQQBAFDQPWGP-UHFFFAOYSA-N 1 0 347.466 3.978 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cncn3)c2)c1 ZINC000096478964 218855081 /nfs/dbraw/zinc/85/50/81/218855081.db2.gz GDNKABAWAPPSOD-CABCVRRESA-N 1 0 349.438 3.638 50 0 EHAARO Cc1cc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc(C)c1Cl ZINC000005051614 210375975 /nfs/dbraw/zinc/37/59/75/210375975.db2.gz DRPZDBYGBLRKOR-OWCLPIDISA-N 1 0 325.880 3.959 50 0 EHAARO C[C@@H](C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1)c1ccccc1 ZINC000005045795 210373673 /nfs/dbraw/zinc/37/36/73/210373673.db2.gz OMHFDWJGTXEJPE-SFHVURJKSA-N 1 0 328.500 3.761 50 0 EHAARO COc1cc2c(cc1OC)C[N@@H+](C1C3CC4CC(C3)CC1C4)CC2 ZINC000004989399 210351631 /nfs/dbraw/zinc/35/16/31/210351631.db2.gz UKNSNGCGGQFVKN-UHFFFAOYSA-N 1 0 327.468 3.887 50 0 EHAARO CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])S[C@H]1c1ccccc1 ZINC000004942645 210334099 /nfs/dbraw/zinc/33/40/99/210334099.db2.gz ITRWJIDZLCGWHP-KRWDZBQOSA-N 1 0 338.432 3.764 50 0 EHAARO CC(C)[NH+](CCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O)C(C)C ZINC000004889088 210312701 /nfs/dbraw/zinc/31/27/01/210312701.db2.gz QYOHWLBGQRUIFP-UHFFFAOYSA-N 1 0 346.862 3.650 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccccc3)cc2)N1 ZINC000004864691 210305042 /nfs/dbraw/zinc/30/50/42/210305042.db2.gz KQKTUTUBAFKNMO-IBGZPJMESA-N 1 0 339.402 3.990 50 0 EHAARO O=C(N[C@@H]1CCCC[C@H]1OCc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC000154120310 224206810 /nfs/dbraw/zinc/20/68/10/224206810.db2.gz DROOHWFDVFYMSY-WOJBJXKFSA-N 1 0 349.434 3.592 50 0 EHAARO O=C(CCC(F)(F)F)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299778460 258088263 /nfs/dbraw/zinc/08/82/63/258088263.db2.gz QKFMCIJNJBQNLM-CQSZACIVSA-N 1 0 348.796 3.936 50 0 EHAARO c1cncc(C[NH2+]Cc2cccc(OCc3ccc4c(c3)OCO4)c2)c1 ZINC000299797343 258101634 /nfs/dbraw/zinc/10/16/34/258101634.db2.gz NOJBTLISJKAODR-UHFFFAOYSA-N 1 0 348.402 3.679 50 0 EHAARO Cc1nn2c(nc(C)cc2NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000072477825 258065042 /nfs/dbraw/zinc/06/50/42/258065042.db2.gz MZMIBHFRQJVZEV-IBGZPJMESA-N 1 0 349.482 3.589 50 0 EHAARO Cc1ccccc1N1CC[NH+](Cc2ccc(O)c3ncccc23)CC1 ZINC000057478125 132201004 /nfs/dbraw/zinc/20/10/04/132201004.db2.gz CKFXYSMCVWXTPR-UHFFFAOYSA-N 1 0 333.435 3.571 50 0 EHAARO O=C(NCCC[NH+]1CCCCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000017742309 564012856 /nfs/dbraw/zinc/01/28/56/564012856.db2.gz MLJRTXFCSANFSL-UHFFFAOYSA-N 1 0 330.259 3.991 50 0 EHAARO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000240225405 564088236 /nfs/dbraw/zinc/08/82/36/564088236.db2.gz DHQBITVJZLAHDJ-NEPJUHHUSA-N 1 0 328.243 3.742 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccsc1 ZINC000013011161 564135882 /nfs/dbraw/zinc/13/58/82/564135882.db2.gz DCEFVDIJQAZAHB-ZDUSSCGKSA-N 1 0 326.824 3.573 50 0 EHAARO CSCc1cc(F)ccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000096479217 564148553 /nfs/dbraw/zinc/14/85/53/564148553.db2.gz SFDWFWLFLDWOSJ-UHFFFAOYSA-N 1 0 332.435 3.508 50 0 EHAARO COc1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1OC ZINC000000207655 563260094 /nfs/dbraw/zinc/26/00/94/563260094.db2.gz IAKOXWWDAONPLP-UHFFFAOYSA-N 1 0 332.488 3.544 50 0 EHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000000214477 563261532 /nfs/dbraw/zinc/26/15/32/563261532.db2.gz SLLZPBXWZJJYKU-CYBMUJFWSA-N 1 0 326.843 3.560 50 0 EHAARO COC(=O)c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000000216212 563261858 /nfs/dbraw/zinc/26/18/58/563261858.db2.gz TYPONQKJMPXEDS-UHFFFAOYSA-N 1 0 325.383 3.902 50 0 EHAARO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000000250494 563266792 /nfs/dbraw/zinc/26/67/92/563266792.db2.gz AQTPJCPHKJCIRX-FQEVSTJZSA-N 1 0 325.452 3.639 50 0 EHAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000299642 563275454 /nfs/dbraw/zinc/27/54/54/563275454.db2.gz DTVOLZWRPCTMBH-UHFFFAOYSA-N 1 0 340.442 3.696 50 0 EHAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccc(Cl)cc1 ZINC000000359882 563292824 /nfs/dbraw/zinc/29/28/24/563292824.db2.gz FWKGDPPEGWNHQU-UHFFFAOYSA-N 1 0 349.858 3.788 50 0 EHAARO CCOc1ccc([C@]2(C)N(O)[C@@H](CC)C(c3ccccc3)[N+]2=O)cc1 ZINC000001132104 563376006 /nfs/dbraw/zinc/37/60/06/563376006.db2.gz ZDBDMQMQRXWMFY-AZUAARDMSA-N 1 0 340.423 3.741 50 0 EHAARO Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002733994 563447372 /nfs/dbraw/zinc/44/73/72/563447372.db2.gz GCHYHNMBNFZBLI-OAQYLSRUSA-N 1 0 336.479 3.866 50 0 EHAARO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)c1 ZINC000002734834 563447421 /nfs/dbraw/zinc/44/74/21/563447421.db2.gz BHFFVIJFOUAVQN-OAQYLSRUSA-N 1 0 336.479 3.866 50 0 EHAARO C[NH+](C)CCOC(=O)[C@H](C[C@H]1CCCO1)c1cccc2ccccc21 ZINC000005674779 563545239 /nfs/dbraw/zinc/54/52/39/563545239.db2.gz WINDMCCYDFPNPV-YLJYHZDGSA-N 1 0 341.451 3.597 50 0 EHAARO Fc1ccccc1C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000071914134 563602933 /nfs/dbraw/zinc/60/29/33/563602933.db2.gz SQFPCMRLXVNDDF-UHFFFAOYSA-N 1 0 334.192 3.526 50 0 EHAARO Cc1ccc([C@]2(O)C[N+](c3cc(C)ccc3C)=C3CCCCN32)cc1 ZINC000002966269 563624378 /nfs/dbraw/zinc/62/43/78/563624378.db2.gz JTEMARRNROHCHI-JOCHJYFZSA-N 1 0 335.471 3.872 50 0 EHAARO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000071920164 563624381 /nfs/dbraw/zinc/62/43/81/563624381.db2.gz GPBVKMDCVOFDDO-UHFFFAOYSA-N 1 0 341.402 3.626 50 0 EHAARO C[C@@H](COc1ccccc1)[NH+]1CCC(CCC(=O)N2CCCC2)CC1 ZINC000012716308 563669106 /nfs/dbraw/zinc/66/91/06/563669106.db2.gz BHSCPRMWHSJQHN-SFHVURJKSA-N 1 0 344.499 3.569 50 0 EHAARO CCc1cc2c(C[NH2+][C@H]3CCc4ccccc43)cc(=O)oc2cc1O ZINC000012980392 563681193 /nfs/dbraw/zinc/68/11/93/563681193.db2.gz CAPUHUKWDXUWPA-SFHVURJKSA-N 1 0 335.403 3.838 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4CCCC4)C3)C2)c1 ZINC000014979770 563770128 /nfs/dbraw/zinc/77/01/28/563770128.db2.gz OBAIFXBJEHRPCO-JOCHJYFZSA-N 1 0 340.511 4.000 50 0 EHAARO Cc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2F)C1 ZINC000015063844 563774708 /nfs/dbraw/zinc/77/47/08/563774708.db2.gz AOGRTSVVLADOCG-NRFANRHFSA-N 1 0 327.443 3.951 50 0 EHAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H]([NH2+]C2CCOCC2)C1 ZINC000015069399 563775633 /nfs/dbraw/zinc/77/56/33/563775633.db2.gz QFFPQOZLKQVAIA-SFHVURJKSA-N 1 0 325.456 3.654 50 0 EHAARO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860026 563796652 /nfs/dbraw/zinc/79/66/52/563796652.db2.gz DNUQBNBCWVUYOO-SFHVURJKSA-N 1 0 342.439 3.635 50 0 EHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(O)c(OC)c1 ZINC000015866935 563798218 /nfs/dbraw/zinc/79/82/18/563798218.db2.gz SJBUZWMFQBCNPE-AWEZNQCLSA-N 1 0 346.427 3.605 50 0 EHAARO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000016606579 563817325 /nfs/dbraw/zinc/81/73/25/563817325.db2.gz DVHXSCWNMVTOIK-UHFFFAOYSA-N 1 0 340.442 3.663 50 0 EHAARO Cn1cc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)c2ccccc21 ZINC000065288633 563852302 /nfs/dbraw/zinc/85/23/02/563852302.db2.gz CLRSENNOTQVLSV-NRFANRHFSA-N 1 0 335.451 3.519 50 0 EHAARO Cc1cc(C)n(Cc2ccc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)cc2)n1 ZINC000019228799 563855190 /nfs/dbraw/zinc/85/51/90/563855190.db2.gz HDOLZOCFCFAGJT-FQEVSTJZSA-N 1 0 341.499 3.531 50 0 EHAARO CC[C@@H](C)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000247024569 563862167 /nfs/dbraw/zinc/86/21/67/563862167.db2.gz DJGOJVTYDJZUJA-PXAZEXFGSA-N 1 0 334.510 3.672 50 0 EHAARO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000027558547 563896642 /nfs/dbraw/zinc/89/66/42/563896642.db2.gz NYTDGXPMFJSYME-LBPRGKRZSA-N 1 0 345.805 3.680 50 0 EHAARO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)sc1C ZINC000029369818 563905884 /nfs/dbraw/zinc/90/58/84/563905884.db2.gz FDTXOAMXQYWWFT-UHFFFAOYSA-N 1 0 343.496 3.677 50 0 EHAARO O=C(COc1cc(F)ccc1F)Nc1ccccc1C[NH+]1CCCC1 ZINC000071184905 563913935 /nfs/dbraw/zinc/91/39/35/563913935.db2.gz OGQLXUHISFMIPP-UHFFFAOYSA-N 1 0 346.377 3.578 50 0 EHAARO CCOc1ccc(OCC[N@H+](CC)C[C@@H](O)c2ccc(C)cc2)cc1 ZINC000072304967 563914446 /nfs/dbraw/zinc/91/44/46/563914446.db2.gz VRZKMQRAVMKDGE-OAQYLSRUSA-N 1 0 343.467 3.828 50 0 EHAARO C[N@H+](CCc1ccccn1)Cc1coc2ccc(Cl)cc2c1=O ZINC000023281677 563918635 /nfs/dbraw/zinc/91/86/35/563918635.db2.gz IIVSLKZPNJENOQ-UHFFFAOYSA-N 1 0 328.799 3.516 50 0 EHAARO CCOC(=O)CCCCCC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000043211177 563925441 /nfs/dbraw/zinc/92/54/41/563925441.db2.gz NLYDPDZDXAZFHV-UHFFFAOYSA-N 1 0 331.456 3.979 50 0 EHAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(Cl)cc1F ZINC000058162266 563938524 /nfs/dbraw/zinc/93/85/24/563938524.db2.gz YRYBNMAQJKAWBX-JHJVBQTASA-N 1 0 326.843 3.575 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000058162633 563938532 /nfs/dbraw/zinc/93/85/32/563938532.db2.gz OHGBRECXGWPHTM-LBPRGKRZSA-N 1 0 329.366 3.559 50 0 EHAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccccc1CO ZINC000058202532 563939777 /nfs/dbraw/zinc/93/97/77/563939777.db2.gz VTQSECFYQFHYLM-UHFFFAOYSA-N 1 0 335.451 3.778 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2cc(C)n(C3CC3)c2C)C2CC2)CC1 ZINC000058261738 563941004 /nfs/dbraw/zinc/94/10/04/563941004.db2.gz XUFZENSKYDMOGV-UHFFFAOYSA-N 1 0 329.488 3.529 50 0 EHAARO O=C(CC[N@H+](Cc1ccsc1)C1CC1)N1CCc2ccccc2C1 ZINC000065398548 563959865 /nfs/dbraw/zinc/95/98/65/563959865.db2.gz WAVWJXXXJVXDOX-UHFFFAOYSA-N 1 0 340.492 3.688 50 0 EHAARO CCc1[nH]c2ccc(CNC(=O)[C@@H]3CCCCC[N@@H+]3C)cc2c1C ZINC000071721695 563964886 /nfs/dbraw/zinc/96/48/86/563964886.db2.gz IXBFTDXGSPLBJP-IBGZPJMESA-N 1 0 327.472 3.529 50 0 EHAARO O=C(NC1=CC[N@H+](CCc2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000071770876 563965667 /nfs/dbraw/zinc/96/56/67/563965667.db2.gz DPNACOMMNOXPKC-UHFFFAOYSA-N 1 0 345.446 3.730 50 0 EHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CC12CCC2 ZINC000077408328 563969511 /nfs/dbraw/zinc/96/95/11/563969511.db2.gz BUVBBUGPUOLFJH-IBGZPJMESA-N 1 0 326.484 3.547 50 0 EHAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000077420146 563969520 /nfs/dbraw/zinc/96/95/20/563969520.db2.gz JTGGINWIMFCGGS-LJQANCHMSA-N 1 0 335.455 3.514 50 0 EHAARO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2=O)c(C)c1F ZINC000077539147 563970290 /nfs/dbraw/zinc/97/02/90/563970290.db2.gz QWPYRSHKZDLDQG-SFHVURJKSA-N 1 0 332.463 3.810 50 0 EHAARO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(NC(=O)NC2CC2)cc1 ZINC000097033129 563971213 /nfs/dbraw/zinc/97/12/13/563971213.db2.gz LOUQPIOYAPFJRK-GFCCVEGCSA-N 1 0 344.846 3.870 50 0 EHAARO Cc1cccc(NC(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000033312165 563973580 /nfs/dbraw/zinc/97/35/80/563973580.db2.gz LKYWSGPFWLCEJB-KRWDZBQOSA-N 1 0 329.488 3.971 50 0 EHAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)no3)C2)cc1 ZINC000091350780 563975299 /nfs/dbraw/zinc/97/52/99/563975299.db2.gz UYOAJIVQMBKNCJ-IBGZPJMESA-N 1 0 348.446 3.899 50 0 EHAARO COCCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000091620829 563975537 /nfs/dbraw/zinc/97/55/37/563975537.db2.gz RCHRVJQRBDPCAV-CYBMUJFWSA-N 1 0 339.892 3.624 50 0 EHAARO CN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000091621025 563975596 /nfs/dbraw/zinc/97/55/96/563975596.db2.gz OUGHGMVKSHBLPG-UHFFFAOYSA-N 1 0 341.282 3.828 50 0 EHAARO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000011470903 563976336 /nfs/dbraw/zinc/97/63/36/563976336.db2.gz XNEZVCYXYIRWQC-LPHOPBHVSA-N 1 0 342.483 3.629 50 0 EHAARO Cc1ccc(-c2cc(-c3ccccc3)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000000196674 563988241 /nfs/dbraw/zinc/98/82/41/563988241.db2.gz NZCPTDJHUULFCS-UHFFFAOYSA-N 1 0 330.435 3.529 50 0 EHAARO COc1ccc(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1F ZINC000000340669 563991373 /nfs/dbraw/zinc/99/13/73/563991373.db2.gz RYNUITJDBMNRMJ-KRWDZBQOSA-N 1 0 327.399 3.897 50 0 EHAARO Cc1ccc([C@@](C)(O)C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)o1 ZINC000225578149 563996022 /nfs/dbraw/zinc/99/60/22/563996022.db2.gz AAZMWAAIUSVAKA-UXHICEINSA-N 1 0 340.398 3.709 50 0 EHAARO CCc1nc([C@H]2CCCN2CCCc2nc3ccccc3o2)no1 ZINC000075573267 564000502 /nfs/dbraw/zinc/00/05/02/564000502.db2.gz SOQMKLKGZPCDOS-CQSZACIVSA-N 1 0 326.400 3.543 50 0 EHAARO C[C@@H]1CCC[N@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000005602858 564006231 /nfs/dbraw/zinc/00/62/31/564006231.db2.gz HJNSVKDBEAPXGV-NQIIRXRSSA-N 1 0 339.479 3.885 50 0 EHAARO O[C@@](c1ccccc1)(c1ccc(Cl)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000000499789 564018465 /nfs/dbraw/zinc/01/84/65/564018465.db2.gz UNTIDFUYZYGXBI-UXHICEINSA-N 1 0 327.855 3.918 50 0 EHAARO C[NH+](C)C1(CNC(=O)C(c2ccccc2)c2ccccc2)CCCC1 ZINC000046701446 564020455 /nfs/dbraw/zinc/02/04/55/564020455.db2.gz YAYYATXTSSTHEZ-UHFFFAOYSA-N 1 0 336.479 3.809 50 0 EHAARO O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046997531 564025659 /nfs/dbraw/zinc/02/56/59/564025659.db2.gz BLQCGCFSMRRQPV-FGZHOGPDSA-N 1 0 348.490 3.952 50 0 EHAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000107355730 564026921 /nfs/dbraw/zinc/02/69/21/564026921.db2.gz SKCLLAYNYOHHQW-JKSUJKDBSA-N 1 0 342.549 3.849 50 0 EHAARO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1O ZINC000108172011 564027989 /nfs/dbraw/zinc/02/79/89/564027989.db2.gz YDNNGSZZQZWIST-LSDHHAIUSA-N 1 0 345.405 3.857 50 0 EHAARO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)c3ccccn3)ccc2NC1=O ZINC000108366604 564028217 /nfs/dbraw/zinc/02/82/17/564028217.db2.gz SQYLHKUKPPKKTO-AHIWAGSCSA-N 1 0 325.412 3.603 50 0 EHAARO Cc1ccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCCC2)cc1 ZINC000046078300 564029456 /nfs/dbraw/zinc/02/94/56/564029456.db2.gz RSYMCRWJGSELSZ-UHFFFAOYSA-N 1 0 325.460 3.662 50 0 EHAARO COc1cc([C@@H](C)[NH2+]Cc2cccnc2)ccc1OCc1ccncc1 ZINC000048746812 564032130 /nfs/dbraw/zinc/03/21/30/564032130.db2.gz NTJOPFAOJGZSFE-MRXNPFEDSA-N 1 0 349.434 3.915 50 0 EHAARO CCOc1ccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000048784770 564032267 /nfs/dbraw/zinc/03/22/67/564032267.db2.gz ZITRYCIHDZWMSG-UHFFFAOYSA-N 1 0 341.455 3.905 50 0 EHAARO Cc1ncc(C[N@H+](C)C[C@@H](O)c2cc(Cl)ccc2Cl)s1 ZINC000051408327 564033181 /nfs/dbraw/zinc/03/31/81/564033181.db2.gz FLQYEICOTFJFJF-CQSZACIVSA-N 1 0 331.268 3.924 50 0 EHAARO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000182335606 564056090 /nfs/dbraw/zinc/05/60/90/564056090.db2.gz QSVKMVFDBTYQCD-ZDUSSCGKSA-N 1 0 337.872 3.984 50 0 EHAARO Cc1cccnc1[C@H](NC(=O)CCC[NH+]1CCCCCC1)C1CC1 ZINC000534646438 564061285 /nfs/dbraw/zinc/06/12/85/564061285.db2.gz SIIYIVMDMZGHBQ-HXUWFJFHSA-N 1 0 329.488 3.614 50 0 EHAARO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000083174486 564061732 /nfs/dbraw/zinc/06/17/32/564061732.db2.gz JNSKQDJITIPQKE-GOEBONIOSA-N 1 0 341.430 3.615 50 0 EHAARO Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCCCCCC2)c(C)c1 ZINC000084133429 564066822 /nfs/dbraw/zinc/06/68/22/564066822.db2.gz WIHLJUPKIDPXNB-MRXNPFEDSA-N 1 0 331.460 3.606 50 0 EHAARO Oc1ccc(CCC2CC[NH+](C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000084372027 564067942 /nfs/dbraw/zinc/06/79/42/564067942.db2.gz RIFXOHDRMQOPPF-OAQYLSRUSA-N 1 0 343.442 3.910 50 0 EHAARO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000012772436 564069043 /nfs/dbraw/zinc/06/90/43/564069043.db2.gz DLZZFZHQJSDULG-HNNXBMFYSA-N 1 0 329.444 3.861 50 0 EHAARO COc1cccc([C@H](CO)[NH2+]Cc2cnc(-c3ccsc3)s2)c1 ZINC000084664926 564069508 /nfs/dbraw/zinc/06/95/08/564069508.db2.gz BJAPWUMOADBLSZ-INIZCTEOSA-N 1 0 346.477 3.703 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000084736291 564069932 /nfs/dbraw/zinc/06/99/32/564069932.db2.gz QCRHQKCDGVAUBA-SCLBCKFNSA-N 1 0 344.430 3.699 50 0 EHAARO CCOC(=O)c1c(CC)c(C)sc1NC(=O)C[NH2+]C(C)(C)CC ZINC000012785160 564070221 /nfs/dbraw/zinc/07/02/21/564070221.db2.gz YJTJGTLPCGKZCV-UHFFFAOYSA-N 1 0 340.489 3.512 50 0 EHAARO CNC(=O)c1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000074229460 564072218 /nfs/dbraw/zinc/07/22/18/564072218.db2.gz NEDFEUSUHIXMKU-UHFFFAOYSA-N 1 0 330.431 3.925 50 0 EHAARO Cc1nccn1C[C@@H]1CCC[N@@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000020119312 564074989 /nfs/dbraw/zinc/07/49/89/564074989.db2.gz YHNKFBGZWZSVCW-FUHWJXTLSA-N 1 0 337.471 3.514 50 0 EHAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012902934 564077729 /nfs/dbraw/zinc/07/77/29/564077729.db2.gz ZJGGCQWFIKPUSB-HXUWFJFHSA-N 1 0 338.451 3.911 50 0 EHAARO Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2cccs2)on1 ZINC000088604775 564079638 /nfs/dbraw/zinc/07/96/38/564079638.db2.gz DRFQPUBYXVTGGE-QGZVFWFLSA-N 1 0 328.437 3.780 50 0 EHAARO COc1ccc([C@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)C2CC2)cc1 ZINC000075104006 564080056 /nfs/dbraw/zinc/08/00/56/564080056.db2.gz CHMMINRBBGWTPN-XXBNENTESA-N 1 0 329.465 3.674 50 0 EHAARO COc1ccc([C@@H]([NH2+]Cc2ccc([S@@](C)=O)cc2)C2CC2)cc1 ZINC000075104010 564080067 /nfs/dbraw/zinc/08/00/67/564080067.db2.gz CHMMINRBBGWTPN-CVDCTZTESA-N 1 0 329.465 3.674 50 0 EHAARO CC(C)Sc1ccc([C@H](C)NC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129890239 564081834 /nfs/dbraw/zinc/08/18/34/564081834.db2.gz CBZCGVJMOYRCLH-JKSUJKDBSA-N 1 0 349.544 3.841 50 0 EHAARO Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000221762131 564084282 /nfs/dbraw/zinc/08/42/82/564084282.db2.gz SYUCJALZQFKSLM-WEFJBSGNSA-N 1 0 339.483 3.853 50 0 EHAARO O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237683395 564085255 /nfs/dbraw/zinc/08/52/55/564085255.db2.gz CPICCGUGSNVEQE-UHFFFAOYSA-N 1 0 348.368 3.965 50 0 EHAARO Cc1cncc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000248921144 564086814 /nfs/dbraw/zinc/08/68/14/564086814.db2.gz KWJDBGFQSGTBSH-IRXDYDNUSA-N 1 0 336.357 3.717 50 0 EHAARO COc1ccc(-c2ccc(CN3CC[N@@H+]4CCCC[C@H]4C3)o2)cc1 ZINC000244734592 564088591 /nfs/dbraw/zinc/08/85/91/564088591.db2.gz NIKDFKMJBRWTJV-KRWDZBQOSA-N 1 0 326.440 3.625 50 0 EHAARO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089448466 564090639 /nfs/dbraw/zinc/09/06/39/564090639.db2.gz IAUIMYPHPFSPEX-AWEZNQCLSA-N 1 0 325.456 3.560 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000006558778 564092098 /nfs/dbraw/zinc/09/20/98/564092098.db2.gz QUKJBQZWIOODPK-INIZCTEOSA-N 1 0 333.439 3.588 50 0 EHAARO Cc1nc2[nH]nc(N)c2c(C)c1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000426430925 564093736 /nfs/dbraw/zinc/09/37/36/564093736.db2.gz ANVCKXUHFRNJIX-CQSZACIVSA-N 1 0 335.455 3.981 50 0 EHAARO C[NH+](C)Cc1cc(NCc2c[nH]nc2-c2cccnc2)ccc1Cl ZINC000369869005 564094811 /nfs/dbraw/zinc/09/48/11/564094811.db2.gz WOIBKWILHDHCAD-UHFFFAOYSA-N 1 0 341.846 3.799 50 0 EHAARO Cc1cc(C(=O)Nc2cccc(Cl)c2C)c(C)n1CC[NH+](C)C ZINC000064757174 564096003 /nfs/dbraw/zinc/09/60/03/564096003.db2.gz SHSOOXKYNBNTHO-UHFFFAOYSA-N 1 0 333.863 3.881 50 0 EHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000170087867 564105424 /nfs/dbraw/zinc/10/54/24/564105424.db2.gz VDBVICWALCPVMV-UHFFFAOYSA-N 1 0 331.847 3.936 50 0 EHAARO Cc1c2cc(F)ccc2oc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000007240660 564105982 /nfs/dbraw/zinc/10/59/82/564105982.db2.gz CLULGMHLMQGDJI-CYBMUJFWSA-N 1 0 332.419 3.875 50 0 EHAARO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000065607311 564108219 /nfs/dbraw/zinc/10/82/19/564108219.db2.gz ZICWEPQAWNRVTC-UHFFFAOYSA-N 1 0 330.259 3.988 50 0 EHAARO O=C(COC[C@@H]1CCC[NH2+]C1)Nc1ccccc1SC1CCCC1 ZINC000170591639 564108836 /nfs/dbraw/zinc/10/88/36/564108836.db2.gz UEJRPRSRRNEBGO-OAHLLOKOSA-N 1 0 348.512 3.676 50 0 EHAARO Cc1nccn1-c1ccc(F)cc1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000089735865 564113489 /nfs/dbraw/zinc/11/34/89/564113489.db2.gz ILEKGUCPDLOFSA-CQSZACIVSA-N 1 0 339.414 3.663 50 0 EHAARO O=C(c1ncoc1-c1ccco1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000089865509 564114363 /nfs/dbraw/zinc/11/43/63/564114363.db2.gz HJFZSDWVPQXICI-OAHLLOKOSA-N 1 0 349.390 3.559 50 0 EHAARO C[N@H+](CC(=O)N1CCCC[C@@H]1c1nc(C(C)(C)C)cs1)C1CC1 ZINC000076051400 564115007 /nfs/dbraw/zinc/11/50/07/564115007.db2.gz JZEXKOJACXNTBC-CQSZACIVSA-N 1 0 335.517 3.588 50 0 EHAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCC(F)(F)F ZINC000089930191 564115507 /nfs/dbraw/zinc/11/55/07/564115507.db2.gz MBMUSJSHTBPAGU-ZIAGYGMSSA-N 1 0 342.405 3.602 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)[C@@H](CC)C1 ZINC000089949114 564115807 /nfs/dbraw/zinc/11/58/07/564115807.db2.gz LZHRHTVKLWXKEF-ZFWWWQNUSA-N 1 0 337.533 3.567 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2nc(Cl)ccc2F)cc1 ZINC000089969003 564115961 /nfs/dbraw/zinc/11/59/61/564115961.db2.gz CTBBTUZVLANXRP-UHFFFAOYSA-N 1 0 349.837 3.646 50 0 EHAARO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000090220958 564116488 /nfs/dbraw/zinc/11/64/88/564116488.db2.gz WLDVIEUKEGFLBK-YTEVENLXSA-N 1 0 337.872 3.937 50 0 EHAARO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000252492649 564119597 /nfs/dbraw/zinc/11/95/97/564119597.db2.gz MRKKQYVAEFSEQB-WIYYLYMNSA-N 1 0 349.478 3.689 50 0 EHAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036452524 564129188 /nfs/dbraw/zinc/12/91/88/564129188.db2.gz JLPPICQAWSOLCD-QZTJIDSGSA-N 1 0 329.827 3.729 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Cc1cccc2ccccc21)c1ccsc1 ZINC000013011252 564135893 /nfs/dbraw/zinc/13/58/93/564135893.db2.gz HERAYTJNONFMFB-LJQANCHMSA-N 1 0 338.476 3.863 50 0 EHAARO COC1(CNc2ccc(C[NH+]3CCC(C)CC3)cc2)CCOCC1 ZINC000276972407 564137743 /nfs/dbraw/zinc/13/77/43/564137743.db2.gz GCCNUGRMQOFREL-UHFFFAOYSA-N 1 0 332.488 3.526 50 0 EHAARO C[C@@H](Cc1nc2ccccc2s1)N(C)Cc1nccn1C(F)F ZINC000079326386 564138113 /nfs/dbraw/zinc/13/81/13/564138113.db2.gz HJDASNWUSDLZPU-NSHDSACASA-N 1 0 336.411 3.951 50 0 EHAARO C[C@H]([NH2+][C@@H](C)C1(N2CCOCC2)CCCC1)c1c(F)cccc1F ZINC000095941418 564142049 /nfs/dbraw/zinc/14/20/49/564142049.db2.gz LXYVSSNOEAEFRV-GJZGRUSLSA-N 1 0 338.442 3.649 50 0 EHAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000095957614 564142572 /nfs/dbraw/zinc/14/25/72/564142572.db2.gz DIEYIFJMOCJHHI-MRXNPFEDSA-N 1 0 345.487 3.911 50 0 EHAARO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968186 564143223 /nfs/dbraw/zinc/14/32/23/564143223.db2.gz CWKXMYHQGYPPCU-DZGCQCFKSA-N 1 0 342.936 3.943 50 0 EHAARO O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)c1cccnc1 ZINC000095973552 564143499 /nfs/dbraw/zinc/14/34/99/564143499.db2.gz PBOCCZSCXDBIAV-AWEZNQCLSA-N 1 0 330.737 3.577 50 0 EHAARO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccccn3)ccc2NC1=O ZINC000095980745 564143679 /nfs/dbraw/zinc/14/36/79/564143679.db2.gz SQYLHKUKPPKKTO-IGCXYCKISA-N 1 0 325.412 3.603 50 0 EHAARO Cc1nc2sccn2c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000095982418 564143718 /nfs/dbraw/zinc/14/37/18/564143718.db2.gz RPMXTULKOQFDSO-SFHVURJKSA-N 1 0 341.480 3.650 50 0 EHAARO CC(=O)Nc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000095982420 564143766 /nfs/dbraw/zinc/14/37/66/564143766.db2.gz SVXNERZYUBFOMH-NRFANRHFSA-N 1 0 338.451 3.591 50 0 EHAARO C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000095987908 564144047 /nfs/dbraw/zinc/14/40/47/564144047.db2.gz YRNBZOVNKOBQKY-CYBMUJFWSA-N 1 0 337.423 3.780 50 0 EHAARO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1O ZINC000095995990 564144253 /nfs/dbraw/zinc/14/42/53/564144253.db2.gz YDNNGSZZQZWIST-GJZGRUSLSA-N 1 0 345.405 3.857 50 0 EHAARO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)/C=C\c2ccco2)CC1 ZINC000096258939 564146189 /nfs/dbraw/zinc/14/61/89/564146189.db2.gz LOSXBGMQJUPWNH-HJWRWDBZSA-N 1 0 342.414 3.555 50 0 EHAARO FC(F)CN1CCC([NH2+]Cc2csc(-c3cccs3)n2)CC1 ZINC000096403973 564147227 /nfs/dbraw/zinc/14/72/27/564147227.db2.gz ZPHMUTXWRZBBTC-UHFFFAOYSA-N 1 0 343.468 3.691 50 0 EHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(C)C1=O ZINC000096407728 564147440 /nfs/dbraw/zinc/14/74/40/564147440.db2.gz QUOVSUMNAHMRGL-QMTHXVAHSA-N 1 0 349.887 3.653 50 0 EHAARO CC(C)c1ccc(-c2ncc(CN(C)CC(=O)NC3CC3)s2)cc1 ZINC000096954376 564149065 /nfs/dbraw/zinc/14/90/65/564149065.db2.gz YHVZWGSNHZENBJ-UHFFFAOYSA-N 1 0 343.496 3.644 50 0 EHAARO CC(C)C[N@H+](CN1C(=O)[C@H](C)N(c2ccc(Cl)cc2)C1=O)C1CC1 ZINC000097029967 564149186 /nfs/dbraw/zinc/14/91/86/564149186.db2.gz QIUDTZHOSNICGY-ZDUSSCGKSA-N 1 0 349.862 3.575 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000057152696 564153337 /nfs/dbraw/zinc/15/33/37/564153337.db2.gz GASFBMFSYNZVPQ-MRXNPFEDSA-N 1 0 326.440 3.677 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2oc3ccccc3c2C)C2CC2)CC1 ZINC000057370843 564153809 /nfs/dbraw/zinc/15/38/09/564153809.db2.gz CGUXUXJIYTXMFF-UHFFFAOYSA-N 1 0 326.440 3.830 50 0 EHAARO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000058404516 564159042 /nfs/dbraw/zinc/15/90/42/564159042.db2.gz UFBVATCXSMAFGB-APWZRJJASA-N 1 0 340.467 3.717 50 0 EHAARO Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C[NH+](C)C ZINC000031233374 564159200 /nfs/dbraw/zinc/15/92/00/564159200.db2.gz OMABJERTJNMHIU-UHFFFAOYSA-N 1 0 335.407 3.964 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1cccnc1SC)c1ccsc1 ZINC000031987240 564160338 /nfs/dbraw/zinc/16/03/38/564160338.db2.gz WMFHQYAEPVHNCZ-OAHLLOKOSA-N 1 0 349.525 3.678 50 0 EHAARO O=C(Cc1cccc2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008520546 564165584 /nfs/dbraw/zinc/16/55/84/564165584.db2.gz AXYRPIAAJJCASD-HXUWFJFHSA-N 1 0 348.446 3.929 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)CCc2ccccc2)CC1 ZINC000069581649 564170636 /nfs/dbraw/zinc/17/06/36/564170636.db2.gz PZDYTWOBDIMEDF-UHFFFAOYSA-N 1 0 337.467 3.764 50 0 EHAARO O[C@@H](C[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000069617094 564170870 /nfs/dbraw/zinc/17/08/70/564170870.db2.gz FMZGXERDRMQOEO-WMZOPIPTSA-N 1 0 333.378 3.811 50 0 EHAARO Clc1cc2cccnc2c(C[N@@H+]2CCCC[C@@H]2Cn2cncn2)c1 ZINC000069709289 564171763 /nfs/dbraw/zinc/17/17/63/564171763.db2.gz HWJDQWYSIGUQEB-QGZVFWFLSA-N 1 0 341.846 3.534 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cccc(F)c2F)CC1 ZINC000069772660 564172037 /nfs/dbraw/zinc/17/20/37/564172037.db2.gz WXOFUSYCLQMQOG-UHFFFAOYSA-N 1 0 345.393 3.723 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000069845333 564172473 /nfs/dbraw/zinc/17/24/73/564172473.db2.gz JXQBLDVQTDKJNI-CVEARBPZSA-N 1 0 342.405 3.733 50 0 EHAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000246522748 564175039 /nfs/dbraw/zinc/17/50/39/564175039.db2.gz UUJUXCSTNKTQKE-MNEFBYGVSA-N 1 0 333.497 3.717 50 0 EHAARO CC(=O)Nc1cc(NC(=O)NCCCCCCC[NH+](C)C)ccc1C ZINC000071831221 564175723 /nfs/dbraw/zinc/17/57/23/564175723.db2.gz ZHEBQGRQRCMKIL-UHFFFAOYSA-N 1 0 348.491 3.587 50 0 EHAARO CC(C)[C@@H](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000078481013 564176969 /nfs/dbraw/zinc/17/69/69/564176969.db2.gz STBDITIWNCZQTA-HNNXBMFYSA-N 1 0 349.494 3.977 50 0 EHAARO Cc1sc2nc(C)nc(N3CC[NH+](C4CCCC4)CC3)c2c1C ZINC000032829703 721855631 /nfs/dbraw/zinc/85/56/31/721855631.db2.gz IDEGORWUUKZGGD-UHFFFAOYSA-N 1 0 330.501 3.681 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)c(C)c1OC ZINC000288377877 1016326913 /nfs/dbraw/zinc/32/69/13/1016326913.db2.gz FTCLNWMIEUEDBN-ZDUSSCGKSA-N 1 0 325.412 3.739 50 0 EHAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)c1ccsc1)CCO2 ZINC000169748707 1032598229 /nfs/dbraw/zinc/59/82/29/1032598229.db2.gz NYMIYANKYVMCCZ-UHFFFAOYSA-N 1 0 344.480 3.625 50 0 EHAARO COCc1ccc(CN(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000020600190 1018190278 /nfs/dbraw/zinc/19/02/78/1018190278.db2.gz HLMNIXTUQMRMBO-LJQANCHMSA-N 1 0 342.483 3.565 50 0 EHAARO O=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176053702 1022533857 /nfs/dbraw/zinc/53/38/57/1022533857.db2.gz ICYHUAMNBTUXFL-MRXNPFEDSA-N 1 0 339.439 3.935 50 0 EHAARO CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(C)n[nH]3)C2)cc1 ZINC000023129242 1028444015 /nfs/dbraw/zinc/44/40/15/1028444015.db2.gz BATWRDDSNHAMED-OAHLLOKOSA-N 1 0 329.469 3.535 50 0 EHAARO c1ccc(CC[NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000003683489 1037469634 /nfs/dbraw/zinc/46/96/34/1037469634.db2.gz GLUFGXXRIGUQGS-UHFFFAOYSA-N 1 0 349.522 3.516 50 0 EHAARO Cc1ccc2nc(C3CC3)cc(C(=O)NCC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000152808837 1037728507 /nfs/dbraw/zinc/72/85/07/1037728507.db2.gz PLJHSHUNHZHDIA-HNNXBMFYSA-N 1 0 337.467 3.540 50 0 EHAARO CCc1nc([C@H]2C[N@H+](CCc3ccccc3)CC23CCCC3)no1 ZINC000257174308 1038299677 /nfs/dbraw/zinc/29/96/77/1038299677.db2.gz FMWMCSAHDBUIEE-QGZVFWFLSA-N 1 0 325.456 3.834 50 0 EHAARO CC(C)c1ccc([C@H](NC(=O)NC2CC[NH+](C)CC2)C(C)C)cc1 ZINC000043180747 1039234605 /nfs/dbraw/zinc/23/46/05/1039234605.db2.gz PDFPBRIFTWFTMZ-LJQANCHMSA-N 1 0 331.504 3.901 50 0 EHAARO c1ccc(-c2nc(CC[C@H]3CCC[N@@H+]3Cc3ccncc3)no2)cc1 ZINC000675020487 1039888450 /nfs/dbraw/zinc/88/84/50/1039888450.db2.gz RAVOREBSTJKCOD-GOSISDBHSA-N 1 0 334.423 3.729 50 0 EHAARO OC[C@@H]1C[N@H+](Cc2nc3ccc(F)cc3s2)C[C@H]1c1ccsc1 ZINC000349016553 1040849599 /nfs/dbraw/zinc/84/95/99/1040849599.db2.gz ZYQWXNBGBPFCTG-JSGCOSHPSA-N 1 0 348.468 3.705 50 0 EHAARO COCc1csc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000888102132 1043287771 /nfs/dbraw/zinc/28/77/71/1043287771.db2.gz DHERQZZJXIIXQI-INIZCTEOSA-N 1 0 344.480 3.745 50 0 EHAARO C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1cnc2ccccc2c1 ZINC000065375387 1129042091 /nfs/dbraw/zinc/04/20/91/1129042091.db2.gz JHICVAZXGBHQQV-UHFFFAOYSA-N 1 0 337.398 3.835 50 0 EHAARO O=C1CC[C@H](CC[NH2+]Cc2ccccn2)N1C1CCCCCCC1 ZINC000011913644 1129141251 /nfs/dbraw/zinc/14/12/51/1129141251.db2.gz QTXSXBVMNVBVGF-LJQANCHMSA-N 1 0 329.488 3.665 50 0 EHAARO Cc1ccccc1N1CCC([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000825236163 1131259049 /nfs/dbraw/zinc/25/90/49/1131259049.db2.gz DKXWIMXDKUJBKK-FQEVSTJZSA-N 1 0 340.515 3.865 50 0 EHAARO CC[C@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2cc(OC)ccc2O1 ZINC000012279439 1129474044 /nfs/dbraw/zinc/47/40/44/1129474044.db2.gz MZQJVMBJSQDAST-KRWDZBQOSA-N 1 0 327.424 3.877 50 0 EHAARO Cc1nc[nH]c1C[NH2+][C@H]1CC(C)(C)Cc2nc(C(C)(C)C)ncc21 ZINC000012306439 1129508149 /nfs/dbraw/zinc/50/81/49/1129508149.db2.gz MGJNRBQPBWSLPH-AWEZNQCLSA-N 1 0 327.476 3.609 50 0 EHAARO COCC[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000012305777 1129510060 /nfs/dbraw/zinc/51/00/60/1129510060.db2.gz YVUHOZYOWQYEML-MRXNPFEDSA-N 1 0 347.434 3.615 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@H](n3c(C)cnc3-c3cccnc3)C2)o1 ZINC000575545296 1131568719 /nfs/dbraw/zinc/56/87/19/1131568719.db2.gz FXGNKEOFBBKTTG-SFHVURJKSA-N 1 0 336.439 3.992 50 0 EHAARO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nc(C3OCCO3)cs2)c1 ZINC000585120659 1137012311 /nfs/dbraw/zinc/01/23/11/1137012311.db2.gz DGKKJVFJTIVFGH-CYBMUJFWSA-N 1 0 330.453 3.840 50 0 EHAARO CN(Cc1ccc(F)c(F)c1F)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000952865698 1137483810 /nfs/dbraw/zinc/48/38/10/1137483810.db2.gz WJJUMCDJKCNSFE-MRXNPFEDSA-N 1 0 334.385 3.592 50 0 EHAARO Cc1cccc(NC(=O)CC[NH2+]Cc2cc(C)ccc2-n2cccn2)c1 ZINC000952963211 1137483846 /nfs/dbraw/zinc/48/38/46/1137483846.db2.gz ICNOSDIGVQNHRM-UHFFFAOYSA-N 1 0 348.450 3.608 50 0 EHAARO Cc1cc(C)n(-c2cccc(C[N@H+](C)CC[C@H]3CCCCO3)c2)n1 ZINC000952991549 1137484946 /nfs/dbraw/zinc/48/49/46/1137484946.db2.gz ZUWJUXAPRJBSDC-HXUWFJFHSA-N 1 0 327.472 3.880 50 0 EHAARO CCC(=O)Nc1cc(NC(=O)[C@H](C)[NH+]2CCCCCC2)ccc1C ZINC000952990722 1137485790 /nfs/dbraw/zinc/48/57/90/1137485790.db2.gz SQUNDLKYXUGOBM-HNNXBMFYSA-N 1 0 331.460 3.547 50 0 EHAARO CCCC[C@@H]([NH2+]Cc1cnc(N2CCCCC2)nc1)c1cccnc1 ZINC000952989931 1137485799 /nfs/dbraw/zinc/48/57/99/1137485799.db2.gz IXNUGCJIFDNPRB-LJQANCHMSA-N 1 0 339.487 3.883 50 0 EHAARO C/C(=C\C(=O)N1CCC([NH+](C)C)CC1)c1ccccc1C(F)(F)F ZINC000104188377 1139198842 /nfs/dbraw/zinc/19/88/42/1139198842.db2.gz BPQXRJPHWUXETD-OUKQBFOZSA-N 1 0 340.389 3.661 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1)N1CCCCCC1 ZINC000004745251 210267002 /nfs/dbraw/zinc/26/70/02/210267002.db2.gz JGFSFURNCWMKBO-KRWDZBQOSA-N 1 0 339.483 3.783 50 0 EHAARO Cc1ccc([C@@H](C)[N@H+](C)Cc2cc(=O)n3cccc(C)c3n2)s1 ZINC000053213235 214169625 /nfs/dbraw/zinc/16/96/25/214169625.db2.gz LTZGXKFJXFQIBC-CQSZACIVSA-N 1 0 327.453 3.566 50 0 EHAARO c1ncn(-c2ncccc2C[NH2+]Cc2cccc(-c3ccccc3)c2)n1 ZINC000054175140 214221760 /nfs/dbraw/zinc/22/17/60/214221760.db2.gz KQLNMYJOGRBURK-UHFFFAOYSA-N 1 0 341.418 3.619 50 0 EHAARO CC[C@H](C)C[NH+]1CCC(n2cc(-c3ccc(OC)cc3)nn2)CC1 ZINC000055120595 214276473 /nfs/dbraw/zinc/27/64/73/214276473.db2.gz WKNWBHRZXZKHCD-HNNXBMFYSA-N 1 0 328.460 3.637 50 0 EHAARO Cn1c(C[NH+]2CCCCC2)nc2cc(NCc3ccccn3)ccc21 ZINC000004625757 210233997 /nfs/dbraw/zinc/23/39/97/210233997.db2.gz LQHZDPWVBLKVPZ-UHFFFAOYSA-N 1 0 335.455 3.566 50 0 EHAARO Cc1ccc2oc(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000058427294 214585000 /nfs/dbraw/zinc/58/50/00/214585000.db2.gz YCQZWWQCZWDFRN-INIZCTEOSA-N 1 0 328.456 3.983 50 0 EHAARO Cc1cnc(-n2cnnc2)c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c1 ZINC000065406753 214897817 /nfs/dbraw/zinc/89/78/17/214897817.db2.gz VPSVEHKCPUCDOF-MRXNPFEDSA-N 1 0 333.439 3.795 50 0 EHAARO C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000003392043 210025685 /nfs/dbraw/zinc/02/56/85/210025685.db2.gz FENAEKBBZNBOCY-KDEAJPOZSA-N 1 0 333.472 3.734 50 0 EHAARO OCCCC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673273 215177561 /nfs/dbraw/zinc/17/75/61/215177561.db2.gz CSIKCLYALVPOIE-UHFFFAOYSA-N 1 0 347.842 3.680 50 0 EHAARO CC(C)C(=O)N1CCC([NH2+][C@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000067674627 215178177 /nfs/dbraw/zinc/17/81/77/215178177.db2.gz ZGHBDCSQTHRYFL-MRXNPFEDSA-N 1 0 341.499 3.726 50 0 EHAARO Cc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCC3)cc1 ZINC000002966407 209946587 /nfs/dbraw/zinc/94/65/87/209946587.db2.gz BDCYDSSUIJEUSZ-HXUWFJFHSA-N 1 0 341.862 3.909 50 0 EHAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000067774059 215209193 /nfs/dbraw/zinc/20/91/93/215209193.db2.gz DSFDYFOQCRSAOI-IBGZPJMESA-N 1 0 336.439 3.873 50 0 EHAARO Cc1c[nH+]ccc1NCCn1cc(-c2c(F)cccc2Cl)nn1 ZINC000067757787 215206836 /nfs/dbraw/zinc/20/68/36/215206836.db2.gz PBMGVMJKBMYZMK-UHFFFAOYSA-N 1 0 331.782 3.553 50 0 EHAARO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)[C@@H](c3ccccn3)C3CC3)cc2c1 ZINC000067834328 215224501 /nfs/dbraw/zinc/22/45/01/215224501.db2.gz ZBGJALMCZSWOCY-HXUWFJFHSA-N 1 0 333.435 3.815 50 0 EHAARO Cc1nc2c(c(N[C@H](Cc3ccccc3)c3ccccc3)n1)CC[NH2+]C2 ZINC000067894909 215243744 /nfs/dbraw/zinc/24/37/44/215243744.db2.gz MKCWXJOJIBNUSW-HXUWFJFHSA-N 1 0 344.462 3.827 50 0 EHAARO CCCC[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000002660210 209887359 /nfs/dbraw/zinc/88/73/59/209887359.db2.gz CHVOWXWAJUQTSR-FPOVZHCZSA-N 1 0 327.468 3.852 50 0 EHAARO CC(C)[N@@H+]1CC[C@H](Nc2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000069000634 215351391 /nfs/dbraw/zinc/35/13/91/215351391.db2.gz WYGUTZGLMJWNBO-INIZCTEOSA-N 1 0 333.439 3.586 50 0 EHAARO CC(C)[N@@H+]1CC[C@@H](Nc2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000069000636 215351484 /nfs/dbraw/zinc/35/14/84/215351484.db2.gz WYGUTZGLMJWNBO-MRXNPFEDSA-N 1 0 333.439 3.586 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H](C)n1cccn1 ZINC000069372190 215390827 /nfs/dbraw/zinc/39/08/27/215390827.db2.gz LPSBFILJSCURKY-SJORKVTESA-N 1 0 336.439 3.596 50 0 EHAARO Cc1ccsc1CN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040476405 213313465 /nfs/dbraw/zinc/31/34/65/213313465.db2.gz OKWLOPQOGUBULK-OAHLLOKOSA-N 1 0 347.484 3.628 50 0 EHAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccnn2C(C)C)c(C)c1 ZINC000039987574 213248788 /nfs/dbraw/zinc/24/87/88/213248788.db2.gz VDIWDOBFNZEBFT-INIZCTEOSA-N 1 0 328.460 3.540 50 0 EHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc(C)on2)cc1 ZINC000039987633 213248932 /nfs/dbraw/zinc/24/89/32/213248932.db2.gz IENWHOGECGOBKN-KRWDZBQOSA-N 1 0 343.427 3.547 50 0 EHAARO c1cc2c(cc1CNCC1([NH+]3CCCCC3)CCCCC1)OCCO2 ZINC000039756484 213242234 /nfs/dbraw/zinc/24/22/34/213242234.db2.gz HDZCGRIXDWNDHS-UHFFFAOYSA-N 1 0 344.499 3.736 50 0 EHAARO Cc1nc(NCc2cc(-c3ccccc3)no2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000039518799 213239775 /nfs/dbraw/zinc/23/97/75/213239775.db2.gz FXMIIKPDXUVRIQ-INIZCTEOSA-N 1 0 349.438 3.519 50 0 EHAARO O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000036103132 213067840 /nfs/dbraw/zinc/06/78/40/213067840.db2.gz KNWSCDAOAHNKGY-KRWDZBQOSA-N 1 0 349.833 3.883 50 0 EHAARO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036102548 213066903 /nfs/dbraw/zinc/06/69/03/213066903.db2.gz LWJCZRZOWHFCJC-FQEVSTJZSA-N 1 0 331.431 3.614 50 0 EHAARO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(CNC(=O)O4)CC3)c2)o1 ZINC000072130816 216021015 /nfs/dbraw/zinc/02/10/15/216021015.db2.gz GXRJKMGTYDDFBN-FQEVSTJZSA-N 1 0 340.423 3.720 50 0 EHAARO CN(Cc1ccc2ncccc2c1)C(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000072143177 216029624 /nfs/dbraw/zinc/02/96/24/216029624.db2.gz PPGBCYCTKYXBRH-HXUWFJFHSA-N 1 0 345.446 3.584 50 0 EHAARO COc1ccc(/C=C/C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)cc1 ZINC000072147589 216034549 /nfs/dbraw/zinc/03/45/49/216034549.db2.gz FBLNPJGTSSSWJH-SNAWJCMRSA-N 1 0 348.446 3.694 50 0 EHAARO Cc1ccc(-c2ccc(CCC(=O)N[C@H]3CC[C@H]3[NH2+]C(C)C)o2)cc1 ZINC000072151717 216039516 /nfs/dbraw/zinc/03/95/16/216039516.db2.gz NSQDPSPONYRZNW-MOPGFXCFSA-N 1 0 340.467 3.833 50 0 EHAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC000072162823 216051666 /nfs/dbraw/zinc/05/16/66/216051666.db2.gz ZXKNXPDIRSLLJK-OAHLLOKOSA-N 1 0 346.368 3.725 50 0 EHAARO COc1c(Cl)cc(Cl)cc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000072167259 216057699 /nfs/dbraw/zinc/05/76/99/216057699.db2.gz XQTGICFWVHEFND-AWEZNQCLSA-N 1 0 331.287 3.918 50 0 EHAARO CCNc1ncc(C[NH+]2CCC(Sc3ccc(C)cc3)CC2)cn1 ZINC000072168724 216059264 /nfs/dbraw/zinc/05/92/64/216059264.db2.gz MLRNOOHXNQIEBQ-UHFFFAOYSA-N 1 0 342.512 3.974 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OC)cc1)c1ccsc1 ZINC000031097301 212722834 /nfs/dbraw/zinc/72/28/34/212722834.db2.gz RXWXDNPDKKAKHX-QGZVFWFLSA-N 1 0 347.484 3.961 50 0 EHAARO C[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccc(Cl)s1 ZINC000072273093 216096668 /nfs/dbraw/zinc/09/66/68/216096668.db2.gz CMYSEERIPWZVJT-UHFFFAOYSA-N 1 0 341.839 3.583 50 0 EHAARO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCCc1ccccc1 ZINC000072283578 216113246 /nfs/dbraw/zinc/11/32/46/216113246.db2.gz GJFBRTSQZWZESU-UHFFFAOYSA-N 1 0 336.435 3.857 50 0 EHAARO C[N@@H+]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C2(CCCCC2)C1 ZINC000072306718 216145091 /nfs/dbraw/zinc/14/50/91/216145091.db2.gz QRTAPUMGOPWYTE-IBGZPJMESA-N 1 0 340.511 3.974 50 0 EHAARO Clc1ccccc1C1(c2ccnc(NC3CCC3)n2)CC[NH2+]CC1 ZINC000072421886 216209979 /nfs/dbraw/zinc/20/99/79/216209979.db2.gz MXAJHYXPODQYOD-UHFFFAOYSA-N 1 0 342.874 3.764 50 0 EHAARO CCNc1ccnc(N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072458364 216243654 /nfs/dbraw/zinc/24/36/54/216243654.db2.gz LHDUAGBPOOLITO-MRXNPFEDSA-N 1 0 345.878 3.638 50 0 EHAARO O[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000072477515 216255759 /nfs/dbraw/zinc/25/57/59/216255759.db2.gz MIGQTEMWLGTQQF-QFIPXVFZSA-N 1 0 334.463 3.984 50 0 EHAARO CC(C)c1ccc(O[C@@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000027583792 212567346 /nfs/dbraw/zinc/56/73/46/212567346.db2.gz RRSMTTDBLRUEDT-KRWDZBQOSA-N 1 0 346.515 3.958 50 0 EHAARO CCn1c(C)cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c1=O ZINC000024022893 212403725 /nfs/dbraw/zinc/40/37/25/212403725.db2.gz GLWVVMWSKFOXKE-LJQANCHMSA-N 1 0 344.430 3.597 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)cc1F ZINC000024084552 212408475 /nfs/dbraw/zinc/40/84/75/212408475.db2.gz CBPGDGUFAPEIRK-AWEZNQCLSA-N 1 0 325.387 3.871 50 0 EHAARO CC1(C)CC(NC(=O)Nc2nc3ccccc3s2)CC(C)(C)[NH2+]1 ZINC000023401699 212375706 /nfs/dbraw/zinc/37/57/06/212375706.db2.gz IFFLXRPXRVJNNW-UHFFFAOYSA-N 1 0 332.473 3.727 50 0 EHAARO CCc1ccc([C@H](CNC(=O)c2cccc3cccnc32)[NH+](C)C)cc1 ZINC000022870694 212330111 /nfs/dbraw/zinc/33/01/11/212330111.db2.gz NWZVPIBTICKPCF-FQEVSTJZSA-N 1 0 347.462 3.830 50 0 EHAARO CCn1c(C)cc(O)c([C@H](c2cccs2)[NH+]2CCCCC2)c1=O ZINC000022697531 212317497 /nfs/dbraw/zinc/31/74/97/212317497.db2.gz ZHNRRHVEWUECIL-KRWDZBQOSA-N 1 0 332.469 3.519 50 0 EHAARO Cc1ccc(CCC(=O)NCc2ccccc2C[NH+](C)C)cc1Cl ZINC000022518463 212302991 /nfs/dbraw/zinc/30/29/91/212302991.db2.gz CYRNFEYRUJAZRR-UHFFFAOYSA-N 1 0 344.886 3.959 50 0 EHAARO CSC1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CCOCC1 ZINC000195553777 241002498 /nfs/dbraw/zinc/00/24/98/241002498.db2.gz LNALDWFIUPEVDC-GOSISDBHSA-N 1 0 328.481 3.673 50 0 EHAARO Cc1cc(C)n2ncc(C[N@@H+]3CC[C@H](c4cccc(Cl)c4)C3)c2n1 ZINC000215856674 241151888 /nfs/dbraw/zinc/15/18/88/241151888.db2.gz NREVFVJBNFAWNL-INIZCTEOSA-N 1 0 340.858 3.989 50 0 EHAARO Cc1ncsc1CC[N@@H+](C)Cc1nn(C)c2cccc(Cl)c12 ZINC000216406612 241188956 /nfs/dbraw/zinc/18/89/56/241188956.db2.gz PTNHOLZEKDRDJH-UHFFFAOYSA-N 1 0 334.876 3.666 50 0 EHAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccccc3F)CC2)CC1 ZINC000021718099 212243196 /nfs/dbraw/zinc/24/31/96/212243196.db2.gz WKEOPRMOLWXCFG-UHFFFAOYSA-N 1 0 333.451 3.802 50 0 EHAARO C[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000021323747 212220377 /nfs/dbraw/zinc/22/03/77/212220377.db2.gz WCTMPWUFFXBIIZ-CQSZACIVSA-N 1 0 339.464 3.655 50 0 EHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000237452454 242644531 /nfs/dbraw/zinc/64/45/31/242644531.db2.gz QCCQWSCUOODUKW-BBRMVZONSA-N 1 0 344.405 3.831 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1ccc(-n2ccc3ccccc32)s1 ZINC000020986056 212194656 /nfs/dbraw/zinc/19/46/56/212194656.db2.gz FNYAAXMCFPOKMN-UHFFFAOYSA-N 1 0 341.480 3.764 50 0 EHAARO COc1c[nH]c(C[N@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cc1=O ZINC000244574780 243041579 /nfs/dbraw/zinc/04/15/79/243041579.db2.gz CRIKRLPXKARYGE-FQEVSTJZSA-N 1 0 326.440 3.596 50 0 EHAARO COc1ccc(CN(Cc2ccccn2)C[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000244626637 243044511 /nfs/dbraw/zinc/04/45/11/243044511.db2.gz FPODQTMPFUBSGZ-FQEVSTJZSA-N 1 0 339.483 3.577 50 0 EHAARO COc1cccc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccnc2)c1 ZINC000244673705 243052810 /nfs/dbraw/zinc/05/28/10/243052810.db2.gz HUFXXYVZBDVDGQ-IBGZPJMESA-N 1 0 339.439 3.646 50 0 EHAARO Cc1cc(C)c(NC(=O)CC[NH+]2CC(c3ccccn3)C2)c(Cl)c1 ZINC000244774180 243079451 /nfs/dbraw/zinc/07/94/51/243079451.db2.gz PPFKQUHHISDEBC-UHFFFAOYSA-N 1 0 343.858 3.780 50 0 EHAARO CC[N@@H+](Cc1cc(C2CCCCC2)no1)C[C@@H](O)c1cccc(O)c1 ZINC000244874362 243093193 /nfs/dbraw/zinc/09/31/93/243093193.db2.gz WZZHOMVARVEKAU-HXUWFJFHSA-N 1 0 344.455 3.983 50 0 EHAARO O=C(Nc1cccnc1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000020723091 212162998 /nfs/dbraw/zinc/16/29/98/212162998.db2.gz YLACVSPJQFFLOC-UHFFFAOYSA-N 1 0 343.430 3.742 50 0 EHAARO CCCOc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020595476 212150106 /nfs/dbraw/zinc/15/01/06/212150106.db2.gz UMSRWHYYFYBSGI-UHFFFAOYSA-N 1 0 330.472 3.566 50 0 EHAARO Cc1cc(C)n([C@@H](C)C[NH+]2CCC(Oc3ccccc3F)CC2)n1 ZINC000020537756 212144263 /nfs/dbraw/zinc/14/42/63/212144263.db2.gz KQTUOOTYJYGNSY-INIZCTEOSA-N 1 0 331.435 3.743 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(OC)c1)[NH2+]CC2 ZINC000020506914 212141405 /nfs/dbraw/zinc/14/14/05/212141405.db2.gz CHUWWBRRNLFZDT-FQEVSTJZSA-N 1 0 327.424 3.728 50 0 EHAARO CCOc1cc(CN2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)ccc1OC ZINC000019831776 212072865 /nfs/dbraw/zinc/07/28/65/212072865.db2.gz DXNPGRXEKLISFW-MJGOQNOKSA-N 1 0 346.515 3.790 50 0 EHAARO O=C(NC1CCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019770187 212063494 /nfs/dbraw/zinc/06/34/94/212063494.db2.gz HVGGFTHOWHUEFR-UHFFFAOYSA-N 1 0 334.463 3.917 50 0 EHAARO CC(C)Oc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1F ZINC000078602375 217083573 /nfs/dbraw/zinc/08/35/73/217083573.db2.gz BGTOVLCCZBRGNN-UHFFFAOYSA-N 1 0 340.402 3.688 50 0 EHAARO CC(C)Cc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000088296657 217744982 /nfs/dbraw/zinc/74/49/82/217744982.db2.gz KMDMEAXTLHGIML-UHFFFAOYSA-N 1 0 331.481 3.578 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000089948998 217894266 /nfs/dbraw/zinc/89/42/66/217894266.db2.gz FKNVUTIBYRSGPW-UWJYYQICSA-N 1 0 336.479 3.967 50 0 EHAARO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)Cc2ccccc2O1 ZINC000012246556 211329080 /nfs/dbraw/zinc/32/90/80/211329080.db2.gz PLFGPHOUOQCFKJ-CQSZACIVSA-N 1 0 337.398 3.999 50 0 EHAARO CCC(CC)C[NH+]1CCC2(C[C@H]2C(=O)NCCc2ccccc2)CC1 ZINC000012053812 211285134 /nfs/dbraw/zinc/28/51/34/211285134.db2.gz ZJBZWOMPVWQYGH-FQEVSTJZSA-N 1 0 342.527 3.884 50 0 EHAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)cc1C ZINC000011816485 211250993 /nfs/dbraw/zinc/25/09/93/211250993.db2.gz MXMPDKWZLCSAQR-MRXNPFEDSA-N 1 0 327.424 4.000 50 0 EHAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000011852159 211259746 /nfs/dbraw/zinc/25/97/46/211259746.db2.gz BOXSZJJSGYKFPP-YSUOHUKGSA-N 1 0 335.532 3.702 50 0 EHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccccc1SC)C2 ZINC000091587400 218026794 /nfs/dbraw/zinc/02/67/94/218026794.db2.gz XLBCCKLBSCQTIT-HUUCEWRRSA-N 1 0 333.501 3.747 50 0 EHAARO O=C(CCc1ccccc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011661418 211228885 /nfs/dbraw/zinc/22/88/85/211228885.db2.gz NPTMKDMCHHXZQH-LJQANCHMSA-N 1 0 328.500 3.923 50 0 EHAARO OCc1cccc(C[C@H]2CC[N@H+](Cc3cc(F)cc(F)c3F)C2)c1 ZINC000091915172 218088259 /nfs/dbraw/zinc/08/82/59/218088259.db2.gz BDGATNSYLQUAEB-CQSZACIVSA-N 1 0 335.369 3.661 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000091846363 218075997 /nfs/dbraw/zinc/07/59/97/218075997.db2.gz GXCJTEBMALCHII-ZDUSSCGKSA-N 1 0 326.843 3.672 50 0 EHAARO CC(C)[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@H]1[NH+](C)C ZINC000091973795 218097124 /nfs/dbraw/zinc/09/71/24/218097124.db2.gz DZSZJAIZKJDCLW-ZWKOTPCHSA-N 1 0 346.906 3.748 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072089 218114335 /nfs/dbraw/zinc/11/43/35/218114335.db2.gz BWNALXXYNASRDU-QGZVFWFLSA-N 1 0 335.455 3.592 50 0 EHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3c(ccn3CC)c1)C2 ZINC000092077832 218115551 /nfs/dbraw/zinc/11/55/51/218115551.db2.gz IIQMWCXNYMQNNB-VQIMIIECSA-N 1 0 339.483 3.608 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12 ZINC000010283999 211160418 /nfs/dbraw/zinc/16/04/18/211160418.db2.gz MTLZLBAWOAXPEK-UHFFFAOYSA-N 1 0 349.478 3.869 50 0 EHAARO COc1cccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)[NH+](C)C)c1 ZINC000010018085 211140897 /nfs/dbraw/zinc/14/08/97/211140897.db2.gz FDXGOVYJXYUEMV-QGZVFWFLSA-N 1 0 347.846 3.773 50 0 EHAARO O=C(C1CC1)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095366822 218298955 /nfs/dbraw/zinc/29/89/55/218298955.db2.gz PCQNXXHIKCHRAX-IBGZPJMESA-N 1 0 338.495 3.657 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccccc2N2CCCCC2)cc1OC ZINC000095377568 218309906 /nfs/dbraw/zinc/30/99/06/218309906.db2.gz STXRPWKJOPSEKL-UHFFFAOYSA-N 1 0 340.467 3.984 50 0 EHAARO CCc1nc(C)sc1CNC(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095381433 218313609 /nfs/dbraw/zinc/31/36/09/218313609.db2.gz GDZIGWSYDBMTBB-DOTOQJQBSA-N 1 0 349.544 3.675 50 0 EHAARO CCCCOc1ccccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000008830903 211009142 /nfs/dbraw/zinc/00/91/42/211009142.db2.gz LFVQVAAWHCRUHN-UHFFFAOYSA-N 1 0 332.488 3.860 50 0 EHAARO COc1ccccc1[C@H](CNC(=O)Nc1ccccc1)[NH+]1CCCC1 ZINC000008762644 211002894 /nfs/dbraw/zinc/00/28/94/211002894.db2.gz JVZZOXLJEPYEIZ-SFHVURJKSA-N 1 0 339.439 3.654 50 0 EHAARO CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H]1Cc1ccc2ccccc2c1 ZINC000095413842 218352258 /nfs/dbraw/zinc/35/22/58/218352258.db2.gz WFQWJQTXFDYXBE-HXUWFJFHSA-N 1 0 345.508 3.672 50 0 EHAARO CS(=O)(=O)CCCC[N@@H+]1CCC[C@H]1Cc1ccc2ccccc2c1 ZINC000095413843 218352645 /nfs/dbraw/zinc/35/26/45/218352645.db2.gz WFQWJQTXFDYXBE-FQEVSTJZSA-N 1 0 345.508 3.672 50 0 EHAARO CCOc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000095420402 218360574 /nfs/dbraw/zinc/36/05/74/218360574.db2.gz HDMGZWFQSHKTMK-CQSZACIVSA-N 1 0 342.439 3.903 50 0 EHAARO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c1C ZINC000095420989 218361467 /nfs/dbraw/zinc/36/14/67/218361467.db2.gz XKZYNQDDQNAYPW-LLVKDONJSA-N 1 0 349.862 3.795 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c(OC)c1 ZINC000095420792 218361994 /nfs/dbraw/zinc/36/19/94/218361994.db2.gz UHKTYYBHBMWSJD-OAHLLOKOSA-N 1 0 337.423 3.740 50 0 EHAARO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000095421289 218363531 /nfs/dbraw/zinc/36/35/31/218363531.db2.gz SXDASDDXXMBLKY-OAHLLOKOSA-N 1 0 349.434 3.750 50 0 EHAARO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000096414848 218772749 /nfs/dbraw/zinc/77/27/49/218772749.db2.gz RASFREMWCIWYBN-IBGZPJMESA-N 1 0 344.430 3.898 50 0 EHAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(Nc3ccc(F)cc3)c12 ZINC000005352040 210447092 /nfs/dbraw/zinc/44/70/92/210447092.db2.gz KGIZGIGBFBFYNV-UHFFFAOYSA-N 1 0 341.434 3.883 50 0 EHAARO Clc1ccc2[nH]c3c(ncnc3NCC[NH+]3CCCCC3)c2c1 ZINC000005341732 210444552 /nfs/dbraw/zinc/44/45/52/210444552.db2.gz RKAJNBBFDRNMHH-UHFFFAOYSA-N 1 0 329.835 3.662 50 0 EHAARO CCCC[N@H+](C)CCNC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004902478 210317136 /nfs/dbraw/zinc/31/71/36/210317136.db2.gz GKWOOTQPNMHLCI-UHFFFAOYSA-N 1 0 339.439 3.751 50 0 EHAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(OCc2cscn2)c1 ZINC000097232282 219001227 /nfs/dbraw/zinc/00/12/27/219001227.db2.gz RSFMYZBQSDGGRT-QWQRMKEZSA-N 1 0 331.485 3.863 50 0 EHAARO S=C(Nc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004852334 210300080 /nfs/dbraw/zinc/30/00/80/210300080.db2.gz TYUWCWGBNRWSPV-UHFFFAOYSA-N 1 0 325.481 3.638 50 0 EHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2)N3)C1 ZINC000004553962 258050990 /nfs/dbraw/zinc/05/09/90/258050990.db2.gz LVNIUUIRASQTGX-MRXNPFEDSA-N 1 0 327.453 3.944 50 0 EHAARO Cc1cc(C)c2c(n1)oc1c2ncnc1SCC[NH+]1CCCCC1 ZINC000031814526 258058589 /nfs/dbraw/zinc/05/85/89/258058589.db2.gz XECRMPGNGOXPPX-UHFFFAOYSA-N 1 0 342.468 3.966 50 0 EHAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000055060539 258061174 /nfs/dbraw/zinc/06/11/74/258061174.db2.gz XCVIIUDAWVSNFY-INIZCTEOSA-N 1 0 345.892 3.583 50 0 EHAARO CSc1ccccc1-c1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000299757288 258075495 /nfs/dbraw/zinc/07/54/95/258075495.db2.gz KLXRGUVGYXVFLM-MRXNPFEDSA-N 1 0 326.465 3.639 50 0 EHAARO Fc1ccccc1CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000299765328 258080170 /nfs/dbraw/zinc/08/01/70/258080170.db2.gz MDMDSDCGGMOCRB-IBGZPJMESA-N 1 0 329.415 3.716 50 0 EHAARO c1ccc(C[NH+]2CCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000055124291 132193822 /nfs/dbraw/zinc/19/38/22/132193822.db2.gz LWGVJEQWMDLFEZ-UHFFFAOYSA-N 1 0 344.418 3.698 50 0 EHAARO O[C@@H](C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1ccccc1F ZINC000028909470 527646552 /nfs/dbraw/zinc/64/65/52/527646552.db2.gz BWUFJGJRZAMXID-SFHVURJKSA-N 1 0 340.398 3.880 50 0 EHAARO CC(C)c1nc(CCNC(=O)C[C@H](C)[NH+]2CCCCCC2)cs1 ZINC000244874183 535378772 /nfs/dbraw/zinc/37/87/72/535378772.db2.gz WWDVKCSZJGGENV-HNNXBMFYSA-N 1 0 337.533 3.580 50 0 EHAARO C[N@@H+]1C[C@@H](CNC(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccs2)C1 ZINC000227150522 536484987 /nfs/dbraw/zinc/48/49/87/536484987.db2.gz MDTDDGVQXYLCJR-DOMZBBRYSA-N 1 0 349.887 3.868 50 0 EHAARO C[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000000112207 563230012 /nfs/dbraw/zinc/23/00/12/563230012.db2.gz ZATIXFIANBVNRV-UHFFFAOYSA-N 1 0 338.842 3.702 50 0 EHAARO O[C@@H](C[NH2+]Cc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000000301547 563275656 /nfs/dbraw/zinc/27/56/56/563275656.db2.gz CDKKRSGGFNLVQB-SFHVURJKSA-N 1 0 330.431 3.945 50 0 EHAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccnc1Cl ZINC000000524877 563341139 /nfs/dbraw/zinc/34/11/39/563341139.db2.gz FGQPTJCYULVDDP-UHFFFAOYSA-N 1 0 329.831 3.973 50 0 EHAARO CCOC(=O)CCCCC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000002515044 563435975 /nfs/dbraw/zinc/43/59/75/563435975.db2.gz BKAKRYBRVKYGPD-UHFFFAOYSA-N 1 0 331.456 3.979 50 0 EHAARO CCCSCC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000071915339 563619036 /nfs/dbraw/zinc/61/90/36/563619036.db2.gz LSGZRBFOZQZAHQ-UHFFFAOYSA-N 1 0 349.544 3.546 50 0 EHAARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(F)cc3)C2)c1C ZINC000002966253 563624353 /nfs/dbraw/zinc/62/43/53/563624353.db2.gz BBAVCEDYKXLSFJ-NRFANRHFSA-N 1 0 339.434 3.703 50 0 EHAARO CCOc1ccc([C@@H]([NH3+])c2ccc(OC)c(OC)c2)cc1OCC ZINC000008324976 563626475 /nfs/dbraw/zinc/62/64/75/563626475.db2.gz KYLPIAGORUTBGX-IBGZPJMESA-N 1 0 331.412 3.549 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000008514425 563631519 /nfs/dbraw/zinc/63/15/19/563631519.db2.gz JOWULBJTBYIARV-IGDKPHCXSA-N 1 0 342.483 3.749 50 0 EHAARO COCc1ccc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)o1 ZINC000012704895 563668049 /nfs/dbraw/zinc/66/80/49/563668049.db2.gz JXOVYWFJGZSNCS-NRFANRHFSA-N 1 0 343.467 3.633 50 0 EHAARO Cc1ncsc1CCC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012709521 563668270 /nfs/dbraw/zinc/66/82/70/563668270.db2.gz LSKGHDRMXIEEEL-INIZCTEOSA-N 1 0 349.544 3.688 50 0 EHAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000012997257 563683857 /nfs/dbraw/zinc/68/38/57/563683857.db2.gz NTSMQPCQMKQIIL-OXJNMPFZSA-N 1 0 338.451 3.710 50 0 EHAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000014958656 563768470 /nfs/dbraw/zinc/76/84/70/563768470.db2.gz VMNCILNJBXNQTP-IBGZPJMESA-N 1 0 332.875 3.565 50 0 EHAARO O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000015042032 563774186 /nfs/dbraw/zinc/77/41/86/563774186.db2.gz KOYVNUKUVCQHLO-UHFFFAOYSA-N 1 0 344.842 3.896 50 0 EHAARO CC(C)(C)SCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000072049174 563860668 /nfs/dbraw/zinc/86/06/68/563860668.db2.gz AQKYMRSGEIYSRY-UHFFFAOYSA-N 1 0 340.558 3.608 50 0 EHAARO Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025328858 563883319 /nfs/dbraw/zinc/88/33/19/563883319.db2.gz DGONOGYJWZTMBV-OAHLLOKOSA-N 1 0 328.437 3.835 50 0 EHAARO c1c(C[NH2+]Cc2cccnc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000026303064 563890777 /nfs/dbraw/zinc/89/07/77/563890777.db2.gz HQRXAMNVOIGLOB-UHFFFAOYSA-N 1 0 341.418 3.619 50 0 EHAARO C[C@H]([C@H](C)[NH2+]Cc1csc(Cc2ccccc2)n1)n1cccn1 ZINC000069951926 563891079 /nfs/dbraw/zinc/89/10/79/563891079.db2.gz JEGLGKXRZNACPT-LSDHHAIUSA-N 1 0 326.469 3.670 50 0 EHAARO CC(C)=CC[NH+]1CCC(NC(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000072271285 563896668 /nfs/dbraw/zinc/89/66/68/563896668.db2.gz BHAAMYFBNQVBTI-JOCHJYFZSA-N 1 0 340.511 3.827 50 0 EHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000027603256 563897660 /nfs/dbraw/zinc/89/76/60/563897660.db2.gz OTCSZUBRHRBHBS-HNNXBMFYSA-N 1 0 336.407 3.593 50 0 EHAARO C[N@H+](CC(=O)Nc1cccc2c1N=S=N2)[C@@H]1CCc2ccccc21 ZINC000029485293 563906732 /nfs/dbraw/zinc/90/67/32/563906732.db2.gz SGZCNIZBQLDTJT-MRXNPFEDSA-N 1 0 338.436 3.971 50 0 EHAARO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000269233676 563920580 /nfs/dbraw/zinc/92/05/80/563920580.db2.gz AYOCPCGWAZBDCL-MBNYWOFBSA-N 1 0 343.298 3.758 50 0 EHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000269233679 563920586 /nfs/dbraw/zinc/92/05/86/563920586.db2.gz AYOCPCGWAZBDCL-YRGRVCCFSA-N 1 0 343.298 3.758 50 0 EHAARO CCOC(=O)CCCCCC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000043210882 563925437 /nfs/dbraw/zinc/92/54/37/563925437.db2.gz YPJLVCJGKXOKAA-UHFFFAOYSA-N 1 0 331.456 3.979 50 0 EHAARO CC(C)[C@H](C)Nc1ccc(Cl)c(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000071922168 563932610 /nfs/dbraw/zinc/93/26/10/563932610.db2.gz XZLADUYQMBPGKO-ZDUSSCGKSA-N 1 0 337.895 3.620 50 0 EHAARO C[NH2+]CCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000057263118 563935458 /nfs/dbraw/zinc/93/54/58/563935458.db2.gz XDUYIWDVXJTWSW-UHFFFAOYSA-N 1 0 348.874 3.627 50 0 EHAARO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)N1CCc2ccccc21 ZINC000058160416 563938282 /nfs/dbraw/zinc/93/82/82/563938282.db2.gz LVUKUULPEGJXGW-UHFFFAOYSA-N 1 0 342.442 3.955 50 0 EHAARO O=C(c1ccncc1)N1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000058282091 563941565 /nfs/dbraw/zinc/94/15/65/563941565.db2.gz CEFWTULBTKBTCY-OAQYLSRUSA-N 1 0 349.478 3.598 50 0 EHAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC=CCC1 ZINC000058290842 563941887 /nfs/dbraw/zinc/94/18/87/563941887.db2.gz YEVFSMAMLXTJHF-MRXNPFEDSA-N 1 0 330.497 3.839 50 0 EHAARO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000058403985 563944971 /nfs/dbraw/zinc/94/49/71/563944971.db2.gz XNHWCVNXXFVLPH-UHFFFAOYSA-N 1 0 329.488 3.904 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cc(Cl)c[nH]1 ZINC000058417595 563945536 /nfs/dbraw/zinc/94/55/36/563945536.db2.gz RTJUTWJHBRJQCS-UHFFFAOYSA-N 1 0 345.874 3.974 50 0 EHAARO CN(C(=O)CC1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000058426512 563946120 /nfs/dbraw/zinc/94/61/20/563946120.db2.gz ZYTMBODTTHWUFI-UHFFFAOYSA-N 1 0 343.515 3.517 50 0 EHAARO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2CCC2)c2ccccc2)c1 ZINC000096483900 563955383 /nfs/dbraw/zinc/95/53/83/563955383.db2.gz VSCQGLKTWABVLA-IBGZPJMESA-N 1 0 329.465 3.569 50 0 EHAARO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000065365013 563958243 /nfs/dbraw/zinc/95/82/43/563958243.db2.gz CLEHXFDQZDQGQN-UHFFFAOYSA-N 1 0 344.846 3.736 50 0 EHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1Cc1nc2ccccc2o1 ZINC000065395867 563959628 /nfs/dbraw/zinc/95/96/28/563959628.db2.gz YIAOOAFCXDMAPT-UHFFFAOYSA-N 1 0 331.379 3.580 50 0 EHAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)s1 ZINC000065430386 563960815 /nfs/dbraw/zinc/96/08/15/563960815.db2.gz ICBOPLNRQVBPIT-MRXNPFEDSA-N 1 0 338.480 3.980 50 0 EHAARO C/C=C(\C)c1c(-c2ccccc2)ncn1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000065434455 563960932 /nfs/dbraw/zinc/96/09/32/563960932.db2.gz JWFYPQYVZIIAPU-KCNOKRAYSA-N 1 0 339.483 3.678 50 0 EHAARO CCc1nc(-c2nccn2CC2CC[NH+](C3CCCC3)CC2)c(C)[nH]1 ZINC000071763471 563965436 /nfs/dbraw/zinc/96/54/36/563965436.db2.gz VWQWMPRGFMDPOL-UHFFFAOYSA-N 1 0 341.503 3.799 50 0 EHAARO CC[C@@]1(O)CCC[N@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 ZINC000071765266 563965510 /nfs/dbraw/zinc/96/55/10/563965510.db2.gz QGCBSTQCPSEEBO-LJQANCHMSA-N 1 0 348.418 3.535 50 0 EHAARO COc1ccc2c(c1)c1c(n2CCC[NH+](C)C)CCCSCC1 ZINC000071769137 563965572 /nfs/dbraw/zinc/96/55/72/563965572.db2.gz GOJXSDALNVTGOU-UHFFFAOYSA-N 1 0 332.513 3.824 50 0 EHAARO Cc1noc2nc(C(C)C)cc(C(=O)NCC[NH+](C(C)C)C(C)C)c12 ZINC000097007505 563966625 /nfs/dbraw/zinc/96/66/25/563966625.db2.gz NTEOBXPWMYDAPM-UHFFFAOYSA-N 1 0 346.475 3.503 50 0 EHAARO Cn1cnnc1C[NH2+][C@H]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000097110965 563967994 /nfs/dbraw/zinc/96/79/94/563967994.db2.gz ZKENRCJREWNSMN-ZFWWWQNUSA-N 1 0 338.377 3.650 50 0 EHAARO CCc1ccc2nc(C)cc(C(=O)N(C)CC[NH+]3CCCCC3)c2c1 ZINC000077299318 563968805 /nfs/dbraw/zinc/96/88/05/563968805.db2.gz YOHDSUDAYXWXRE-UHFFFAOYSA-N 1 0 339.483 3.664 50 0 EHAARO FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000077505070 563970070 /nfs/dbraw/zinc/97/00/70/563970070.db2.gz RTLNTFBSFXTGLQ-MRXNPFEDSA-N 1 0 343.389 3.566 50 0 EHAARO O=C1CC[C@@]2(CCC[N@@H+](C3CCCC3)C2)CN1CCc1ccccc1 ZINC000082087052 563972036 /nfs/dbraw/zinc/97/20/36/563972036.db2.gz UTFSUKONGYKOPB-JOCHJYFZSA-N 1 0 340.511 3.876 50 0 EHAARO O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000082097396 563972167 /nfs/dbraw/zinc/97/21/67/563972167.db2.gz PHDALSLECVJJGM-SFHVURJKSA-N 1 0 325.456 3.649 50 0 EHAARO O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000082097395 563972190 /nfs/dbraw/zinc/97/21/90/563972190.db2.gz PHDALSLECVJJGM-GOSISDBHSA-N 1 0 325.456 3.649 50 0 EHAARO Cc1cc(N2CCCN(C(=O)CCCc3cccs3)CC2)cc[nH+]1 ZINC000082099444 563972218 /nfs/dbraw/zinc/97/22/18/563972218.db2.gz DFDWWHQQIHSVJT-UHFFFAOYSA-N 1 0 343.496 3.513 50 0 EHAARO CCC[C@@H]1C[N@H+](Cc2ccccc2-c2ccco2)C[C@H]1NC(C)=O ZINC000082161646 563972810 /nfs/dbraw/zinc/97/28/10/563972810.db2.gz NDZMZNUAKUMLSR-IEBWSBKVSA-N 1 0 326.440 3.683 50 0 EHAARO CCn1cc(CN[C@H](C)c2ccc(C(F)(F)F)nc2Cl)cn1 ZINC000585140035 563973379 /nfs/dbraw/zinc/97/33/79/563973379.db2.gz UQKWTLXVKHPSHE-SECBINFHSA-N 1 0 332.757 3.821 50 0 EHAARO O=C(c1ccccc1)C1CC[NH+](CCc2nc3ccccc3[nH]2)CC1 ZINC000585141313 563973392 /nfs/dbraw/zinc/97/33/92/563973392.db2.gz TUROYNNWDRQUCB-UHFFFAOYSA-N 1 0 333.435 3.700 50 0 EHAARO C[C@H]1CCC[N@H+](CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000033312163 563973573 /nfs/dbraw/zinc/97/35/73/563973573.db2.gz DCWAEAKOQRAEAJ-HNNXBMFYSA-N 1 0 333.451 3.802 50 0 EHAARO CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000027617652 563975122 /nfs/dbraw/zinc/97/51/22/563975122.db2.gz JGPNMZWFVRQNGU-HUUCEWRRSA-N 1 0 329.271 3.938 50 0 in-vitro EHAARO Cc1ccc2[nH+]ccc(N3CCC[C@H](CCC(=O)N(C)C)C3)c2c1 ZINC000096141665 563979541 /nfs/dbraw/zinc/97/95/41/563979541.db2.gz CORUUPWPSVCYNX-MRXNPFEDSA-N 1 0 325.456 3.628 50 0 EHAARO C[N@H+](CCOCC1CC1)Cc1cc(Br)cc2cccnc21 ZINC000119941117 563983878 /nfs/dbraw/zinc/98/38/78/563983878.db2.gz QCODLBYJHHIVGM-UHFFFAOYSA-N 1 0 349.272 3.856 50 0 EHAARO NC(=[NH2+])N1CCC[C@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000072233771 563986062 /nfs/dbraw/zinc/98/60/62/563986062.db2.gz ABZLBTRDAJAOMO-AWEZNQCLSA-N 1 0 338.480 3.895 50 0 EHAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc4c(c3)OCO4)c2c1 ZINC000000149805 563987366 /nfs/dbraw/zinc/98/73/66/563987366.db2.gz JANKCCFQYVYGTQ-UHFFFAOYSA-N 1 0 336.347 3.802 50 0 EHAARO COc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccco1 ZINC000000263785 563989838 /nfs/dbraw/zinc/98/98/38/563989838.db2.gz XWDPICUBKFPGED-CQSZACIVSA-N 1 0 347.484 3.610 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000237295891 563991394 /nfs/dbraw/zinc/99/13/94/563991394.db2.gz HYCVULZFQKKRND-UONOGXRCSA-N 1 0 342.405 3.657 50 0 EHAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000179001323 563996366 /nfs/dbraw/zinc/99/63/66/563996366.db2.gz OUEUOMIYXLGFBR-CQSZACIVSA-N 1 0 328.843 3.689 50 0 EHAARO Cc1oc2nc(C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)nc(N)c2c1C ZINC000133810545 563996492 /nfs/dbraw/zinc/99/64/92/563996492.db2.gz XICBFCIABKVPGB-CVEARBPZSA-N 1 0 336.439 3.848 50 0 EHAARO COc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000252585796 563997922 /nfs/dbraw/zinc/99/79/22/563997922.db2.gz LEMUDHMFGISJTE-COXVUDFISA-N 1 0 331.412 3.604 50 0 EHAARO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)sc1-c1ccccc1 ZINC000526052558 564007196 /nfs/dbraw/zinc/00/71/96/564007196.db2.gz ZMXVPICDKPHGKT-HNNXBMFYSA-N 1 0 328.481 3.938 50 0 EHAARO CC[NH+](CC)Cc1ccc(NC(=O)c2c(OC)cccc2OC)cc1 ZINC000000568299 564023548 /nfs/dbraw/zinc/02/35/48/564023548.db2.gz UUKSYTLXDPXTKI-UHFFFAOYSA-N 1 0 342.439 3.798 50 0 EHAARO C[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000105724759 564025304 /nfs/dbraw/zinc/02/53/04/564025304.db2.gz OZDQCQONSXHERI-CHWSQXEVSA-N 1 0 341.402 3.530 50 0 EHAARO O=C(NC1CCCCC1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000048340547 564031197 /nfs/dbraw/zinc/03/11/97/564031197.db2.gz RCXPMGUSNNZGHD-UHFFFAOYSA-N 1 0 349.906 3.936 50 0 EHAARO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000048709605 564032084 /nfs/dbraw/zinc/03/20/84/564032084.db2.gz RCDNHDOQMGBXSY-AWEZNQCLSA-N 1 0 340.471 3.837 50 0 EHAARO Cc1cccc(C[NH2+][C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000048744722 564032160 /nfs/dbraw/zinc/03/21/60/564032160.db2.gz BKQKBAAWAWPQAI-MRXNPFEDSA-N 1 0 338.451 3.503 50 0 EHAARO CCCn1cc(C[NH+]2CCC(c3ccccc3OC)CC2)c(C)n1 ZINC000215937170 564033711 /nfs/dbraw/zinc/03/37/11/564033711.db2.gz PFUXWVJUMIMVTP-UHFFFAOYSA-N 1 0 327.472 3.990 50 0 EHAARO CN(CC[NH+](C)C)C(=O)c1ccccc1Sc1ccccc1F ZINC000252507347 564053530 /nfs/dbraw/zinc/05/35/30/564053530.db2.gz WIYHGRHKEYEQNI-UHFFFAOYSA-N 1 0 332.444 3.611 50 0 EHAARO CN(CCCC1CCCC1)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000252519055 564053592 /nfs/dbraw/zinc/05/35/92/564053592.db2.gz AVKBSPIARMFXRZ-QAQDUYKDSA-N 1 0 328.504 3.965 50 0 EHAARO c1nc2sc3c(c2c(NCCC[NH2+]C2CCCCC2)n1)CCC3 ZINC000005937717 564057162 /nfs/dbraw/zinc/05/71/62/564057162.db2.gz MTBNRAUJEYWKPV-UHFFFAOYSA-N 1 0 330.501 3.904 50 0 EHAARO O=C(CCc1ccc(Cl)s1)NCCC[NH+]1CCCCCC1 ZINC000044314326 564059962 /nfs/dbraw/zinc/05/99/62/564059962.db2.gz CAJUKSMBHYSIEU-UHFFFAOYSA-N 1 0 328.909 3.716 50 0 EHAARO CCCCN(Cc1cccc(Cl)c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000534649554 564061515 /nfs/dbraw/zinc/06/15/15/564061515.db2.gz ZETSORVGBGGYFF-AWEZNQCLSA-N 1 0 325.884 3.602 50 0 EHAARO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000083174472 564061704 /nfs/dbraw/zinc/06/17/04/564061704.db2.gz JNSKQDJITIPQKE-ZBFHGGJFSA-N 1 0 341.430 3.615 50 0 EHAARO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000083216597 564062026 /nfs/dbraw/zinc/06/20/26/564062026.db2.gz AOJAAZARHPWUNX-KRWDZBQOSA-N 1 0 347.821 3.837 50 0 EHAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000084525538 564068495 /nfs/dbraw/zinc/06/84/95/564068495.db2.gz IOYRAHSBLQGCLG-AABGKKOBSA-N 1 0 326.484 3.657 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(Cc3nc4ccccc4o3)C2)CC1 ZINC000084699933 564069714 /nfs/dbraw/zinc/06/97/14/564069714.db2.gz RYLCKQNJOTXJON-QGZVFWFLSA-N 1 0 327.472 3.772 50 0 EHAARO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H]1c1cnn(CC)c1)c1ccc(F)cc1F ZINC000084734142 564069833 /nfs/dbraw/zinc/06/98/33/564069833.db2.gz SYMHHTHZAYNWNH-AGRHKRQWSA-N 1 0 349.425 4.000 50 0 EHAARO CSc1ccsc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000075139709 564080624 /nfs/dbraw/zinc/08/06/24/564080624.db2.gz XREWNCQWMUITRV-UHFFFAOYSA-N 1 0 338.473 3.601 50 0 EHAARO Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCOC4(CCCCC4)C3)c(C)n2n1 ZINC000090527709 564084618 /nfs/dbraw/zinc/08/46/18/564084618.db2.gz KDQISYDHNGBOHF-NVXWUHKLSA-N 1 0 342.487 3.879 50 0 EHAARO C[C@H]1CN(c2ccc(C[NH2+][C@H]3CCCc4sccc43)cn2)CCO1 ZINC000240444186 564088230 /nfs/dbraw/zinc/08/82/30/564088230.db2.gz FWLJBSGNLQZFNG-YOEHRIQHSA-N 1 0 343.496 3.535 50 0 EHAARO CS[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000089314104 564089643 /nfs/dbraw/zinc/08/96/43/564089643.db2.gz NGXHLYOKGBQDHJ-STQMWFEESA-N 1 0 348.299 3.503 50 0 EHAARO CCc1onc(C)c1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000089413022 564090201 /nfs/dbraw/zinc/09/02/01/564090201.db2.gz UWYIHKPRGNSUMP-UHFFFAOYSA-N 1 0 348.491 3.665 50 0 EHAARO C[N@H+](Cc1ccccc1NCC(=O)NC1CCCC1)C1CCCCC1 ZINC000006589387 564092342 /nfs/dbraw/zinc/09/23/42/564092342.db2.gz XLUZHBOSXOOGGP-UHFFFAOYSA-N 1 0 343.515 3.922 50 0 EHAARO Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)c(OCCC[NH3+])c1 ZINC000426667429 564094357 /nfs/dbraw/zinc/09/43/57/564094357.db2.gz NFKDNBUOFIAVDX-LJQANCHMSA-N 1 0 338.451 3.700 50 0 EHAARO C[C@H]([NH2+]CCN1CCCCC1)c1cc(Br)ccc1F ZINC000149516278 564096212 /nfs/dbraw/zinc/09/62/12/564096212.db2.gz AXWAWBKEVDBSQZ-LBPRGKRZSA-N 1 0 329.257 3.725 50 0 EHAARO Cc1ccc(C[N@H+]2CC=C(C(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000064817970 564096521 /nfs/dbraw/zinc/09/65/21/564096521.db2.gz VSBBFYJBBSMNCR-UHFFFAOYSA-N 1 0 338.426 3.583 50 0 EHAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1 ZINC000169677825 564098045 /nfs/dbraw/zinc/09/80/45/564098045.db2.gz NQQPMDQTSMJESX-IEBWSBKVSA-N 1 0 343.467 3.736 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cnccn1 ZINC000155224095 564098098 /nfs/dbraw/zinc/09/80/98/564098098.db2.gz NQVAGKRYEBEHLF-GFCCVEGCSA-N 1 0 347.344 3.532 50 0 EHAARO CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)C[NH+]1CCCC1 ZINC000169681416 564098185 /nfs/dbraw/zinc/09/81/85/564098185.db2.gz UVXCNEOSWPXSJW-HNNXBMFYSA-N 1 0 330.472 3.800 50 0 EHAARO COc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000006877194 564100387 /nfs/dbraw/zinc/10/03/87/564100387.db2.gz GNYIVQWMIRXPRS-UHFFFAOYSA-N 1 0 345.487 3.671 50 0 EHAARO CCCCOc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000006992591 564102702 /nfs/dbraw/zinc/10/27/02/564102702.db2.gz KAMOPAWWHYVDPW-UHFFFAOYSA-N 1 0 340.467 3.857 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1 ZINC000170086065 564105409 /nfs/dbraw/zinc/10/54/09/564105409.db2.gz YWXLLWYEYPMYTA-UHFFFAOYSA-N 1 0 340.920 3.811 50 0 EHAARO Cc1noc(C2CC[NH+](CCCOc3cccc(Cl)c3)CC2)n1 ZINC000065535984 564107202 /nfs/dbraw/zinc/10/72/02/564107202.db2.gz SZULMEGREGEXNY-UHFFFAOYSA-N 1 0 335.835 3.680 50 0 EHAARO COc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000013325212 564111538 /nfs/dbraw/zinc/11/15/38/564111538.db2.gz IZGMBWXXALPTSV-UHFFFAOYSA-N 1 0 325.412 3.935 50 0 EHAARO CC(C)CSCCC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000089856433 564114374 /nfs/dbraw/zinc/11/43/74/564114374.db2.gz BYGYODYIWBMGGK-UHFFFAOYSA-N 1 0 340.577 3.880 50 0 EHAARO C[NH+](C)CCCN(Cc1ccccc1)C(=S)Nc1ccccc1F ZINC000007578596 564115208 /nfs/dbraw/zinc/11/52/08/564115208.db2.gz INOOYVPKQZMQOA-UHFFFAOYSA-N 1 0 345.487 3.976 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](CC)C1 ZINC000089948908 564115774 /nfs/dbraw/zinc/11/57/74/564115774.db2.gz YBAZYAUSNUIWBM-GOEBONIOSA-N 1 0 342.405 3.832 50 0 EHAARO Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1F ZINC000237623505 564117775 /nfs/dbraw/zinc/11/77/75/564117775.db2.gz VCMZOZSEJHVTOC-XJKSGUPXSA-N 1 0 344.405 3.892 50 0 EHAARO CC[NH+](CC)CCc1ccc(NC(=O)NCc2ccsc2)cc1 ZINC000252498968 564119788 /nfs/dbraw/zinc/11/97/88/564119788.db2.gz RRYXJPXTYGBNRU-UHFFFAOYSA-N 1 0 331.485 3.954 50 0 EHAARO C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252512386 564120154 /nfs/dbraw/zinc/12/01/54/564120154.db2.gz QBIAFLACXLVAPU-AHRSYUTCSA-N 1 0 341.499 3.796 50 0 EHAARO CCC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(F)cc1F)c1ccccc1 ZINC000170676211 564121378 /nfs/dbraw/zinc/12/13/78/564121378.db2.gz PTVHQEOFGYVBCP-QAPCUYQASA-N 1 0 332.394 3.665 50 0 EHAARO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(O)c1 ZINC000194948997 564122623 /nfs/dbraw/zinc/12/26/23/564122623.db2.gz LOKMYSFEORXYMU-INIZCTEOSA-N 1 0 340.467 3.770 50 0 EHAARO C[C@@H]1c2ccsc2CCN1CC(=O)NCc1cccc(Cl)c1 ZINC000007878934 564124306 /nfs/dbraw/zinc/12/43/06/564124306.db2.gz FYQKCMAZPVAYPY-GFCCVEGCSA-N 1 0 334.872 3.637 50 0 EHAARO Cc1ccc(C)c(C(=O)NCC2CCN(c3cc[nH+]c(C)c3)CC2)c1 ZINC000253399546 564130580 /nfs/dbraw/zinc/13/05/80/564130580.db2.gz JQZUJQTXVHDYAP-UHFFFAOYSA-N 1 0 337.467 3.653 50 0 EHAARO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000093010304 564136889 /nfs/dbraw/zinc/13/68/89/564136889.db2.gz OMTPVOLLOLHFMR-UGSOOPFHSA-N 1 0 342.439 3.699 50 0 EHAARO C[C@@H]([NH2+]C1(CN[C@@H](C)c2ccco2)CCOCC1)c1ccccc1 ZINC000095422921 564140142 /nfs/dbraw/zinc/14/01/42/564140142.db2.gz FLBLNEYTWAWAHN-SJORKVTESA-N 1 0 328.456 3.830 50 0 EHAARO CCC(C)(CC)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000095944829 564142124 /nfs/dbraw/zinc/14/21/24/564142124.db2.gz LWNSYOPEHBNZQE-UHFFFAOYSA-N 1 0 346.515 3.850 50 0 EHAARO C[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc2ccccc2n1 ZINC000095967554 564143062 /nfs/dbraw/zinc/14/30/62/564143062.db2.gz MMQWHFKTXYSZPD-INIZCTEOSA-N 1 0 333.435 3.592 50 0 EHAARO CCc1cc(N2CCC([NH2+][C@H](C)CSC(C)(C)C)CC2)ncn1 ZINC000095968916 564143300 /nfs/dbraw/zinc/14/33/00/564143300.db2.gz BBVKWXMZOHOYBS-CQSZACIVSA-N 1 0 336.549 3.518 50 0 EHAARO COc1cc(F)c([C@H](C)[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)cc1OC ZINC000095988256 564144028 /nfs/dbraw/zinc/14/40/28/564144028.db2.gz VMTITDZYKZVXLJ-ZWUPXRALSA-N 1 0 325.424 3.553 50 0 EHAARO COc1c(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c(C)nn1C ZINC000096003282 564144433 /nfs/dbraw/zinc/14/44/33/564144433.db2.gz OFHVDMAGQKBNKA-UHFFFAOYSA-N 1 0 336.439 3.508 50 0 EHAARO CCOc1ccccc1OCC[NH2+]CCCCOc1ccccc1 ZINC000096027023 564144955 /nfs/dbraw/zinc/14/49/55/564144955.db2.gz WCKDXAKZGWMFMH-UHFFFAOYSA-N 1 0 329.440 3.913 50 0 EHAARO C[C@H](C(=O)N1CCCC[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000096280598 564146383 /nfs/dbraw/zinc/14/63/83/564146383.db2.gz AFUVMSHCDJOBHL-QZTJIDSGSA-N 1 0 328.500 3.731 50 0 EHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@H]1CCN(C)C1=O ZINC000096407730 564147443 /nfs/dbraw/zinc/14/74/43/564147443.db2.gz QUOVSUMNAHMRGL-YGRLFVJLSA-N 1 0 349.887 3.653 50 0 EHAARO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000096476415 564148434 /nfs/dbraw/zinc/14/84/34/564148434.db2.gz YIXVOPFFROGIKW-CDEUHXGRSA-N 1 0 347.480 3.853 50 0 EHAARO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccc([S@@](C)=O)cc1 ZINC000096476555 564148446 /nfs/dbraw/zinc/14/84/46/564148446.db2.gz AUEKNSMGMXJVRH-MYYSRTQBSA-N 1 0 338.476 3.866 50 0 EHAARO FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCSC3)CCOCC2)c1 ZINC000096476687 564148498 /nfs/dbraw/zinc/14/84/98/564148498.db2.gz DWFVMBODLKMETC-OAHLLOKOSA-N 1 0 345.430 3.849 50 0 EHAARO C[N@@H+]1CCCC[C@H]1CCSc1nnc(C2CC2)n1Cc1ccco1 ZINC000283741516 564148939 /nfs/dbraw/zinc/14/89/39/564148939.db2.gz AQHSOZSSJDNTEZ-HNNXBMFYSA-N 1 0 346.500 3.763 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000002633105 564151493 /nfs/dbraw/zinc/15/14/93/564151493.db2.gz CAGCGZAFCQWSJF-HXUWFJFHSA-N 1 0 335.451 3.520 50 0 EHAARO Cc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)sc1C ZINC000032401134 564161402 /nfs/dbraw/zinc/16/14/02/564161402.db2.gz QFGLIZDJDGGXQS-UHFFFAOYSA-N 1 0 328.481 3.543 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000008011994 564162119 /nfs/dbraw/zinc/16/21/19/564162119.db2.gz FJBKRQSBMMQYNO-UHFFFAOYSA-N 1 0 334.419 3.959 50 0 EHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccsc2)CC1 ZINC000008720894 564166945 /nfs/dbraw/zinc/16/69/45/564166945.db2.gz GRNNXSKBHFBIDW-UHFFFAOYSA-N 1 0 349.887 3.796 50 0 EHAARO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@H]1C ZINC000245265694 564168893 /nfs/dbraw/zinc/16/88/93/564168893.db2.gz HAXAGOICPJHJRB-LVCYWYKZSA-N 1 0 342.527 3.882 50 0 EHAARO Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)c2c1 ZINC000069657064 564171212 /nfs/dbraw/zinc/17/12/12/564171212.db2.gz MYMAKMXMBJRQMA-MRXNPFEDSA-N 1 0 334.423 3.525 50 0 EHAARO Clc1ccc(C[N@@H+]2CCCC[C@@H]2Cn2cncn2)c2ncccc12 ZINC000069740935 564171920 /nfs/dbraw/zinc/17/19/20/564171920.db2.gz ZMVWBWXRQMTTJU-OAHLLOKOSA-N 1 0 341.846 3.534 50 0 EHAARO CCOc1ccccc1NC(=O)C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000069980364 564173121 /nfs/dbraw/zinc/17/31/21/564173121.db2.gz FDQQDUHCRARPND-IBGZPJMESA-N 1 0 341.455 3.714 50 0 EHAARO CCc1nccn1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000071870666 564176192 /nfs/dbraw/zinc/17/61/92/564176192.db2.gz AQGJSNOFJQRHOV-HNNXBMFYSA-N 1 0 331.485 3.693 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCc1nc2ccccc2o1 ZINC000071876717 564176323 /nfs/dbraw/zinc/17/63/23/564176323.db2.gz XZCHLBDUBZQSTI-KRWDZBQOSA-N 1 0 338.455 3.948 50 0 EHAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)Nc1ccccc1F ZINC000077104352 564176588 /nfs/dbraw/zinc/17/65/88/564176588.db2.gz GCIQQRFPIWJOPN-UHFFFAOYSA-N 1 0 347.459 3.888 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)C1 ZINC000237307350 1029101125 /nfs/dbraw/zinc/10/11/25/1029101125.db2.gz KJDSTGGSFAHEPB-RNQWEJQRSA-N 1 0 340.389 3.567 50 0 EHAARO Cc1csc(CN(C)Cc2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000093791685 1029668636 /nfs/dbraw/zinc/66/86/36/1029668636.db2.gz DQXKVVFOTCJZPU-QGZVFWFLSA-N 1 0 332.469 3.641 50 0 EHAARO Cc1noc([C@H]2C[N@H+](CCCc3ccccc3)CC23CCCC3)n1 ZINC000257174195 1034556280 /nfs/dbraw/zinc/55/62/80/1034556280.db2.gz DGCLNLFMGPZCBV-GOSISDBHSA-N 1 0 325.456 3.970 50 0 EHAARO O=C1NCCCCCC[N@H+](Cc2ccc3[nH]ccc3c2)[C@H]2CCC[C@@H]12 ZINC000257181564 1038417498 /nfs/dbraw/zinc/41/74/98/1038417498.db2.gz NLXDJCPKIXQXRE-QUCCMNQESA-N 1 0 339.483 3.829 50 0 EHAARO Cc1ccc(C[N@@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)o1 ZINC000257186429 1038472654 /nfs/dbraw/zinc/47/26/54/1038472654.db2.gz ZCLFANMKUBRROU-IBGZPJMESA-N 1 0 326.440 3.822 50 0 EHAARO O=C(Nc1nc(-c2ccccc2F)cs1)C1CC[NH+](C2CC2)CC1 ZINC000195373884 1042812957 /nfs/dbraw/zinc/81/29/57/1042812957.db2.gz MSEAKHCZMTWRSB-UHFFFAOYSA-N 1 0 345.443 3.762 50 0 EHAARO Cc1nccc(N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000106955693 1043130031 /nfs/dbraw/zinc/13/00/31/1043130031.db2.gz UWUVCPAUYBHERO-LJQANCHMSA-N 1 0 342.462 3.661 50 0 EHAARO O=C1N(CCCc2ccccc2)CCC[C@@]12CCN(c1cc[nH+]cc1)C2 ZINC000011879138 1129111881 /nfs/dbraw/zinc/11/18/81/1129111881.db2.gz XMGBXEQLBQZGAL-QFIPXVFZSA-N 1 0 349.478 3.533 50 0 EHAARO c1sc(CN2CC(c3ccncc3)C2)cc1C[NH+]1CCCCC1 ZINC000820414214 1130870266 /nfs/dbraw/zinc/87/02/66/1130870266.db2.gz UGIJJPGQDRFTFQ-UHFFFAOYSA-N 1 0 327.497 3.728 50 0 EHAARO CCCn1nc(-c2c[nH]c3ccccc23)nc1[C@H]1CC12CC[NH2+]CC2 ZINC000823033088 1131037976 /nfs/dbraw/zinc/03/79/76/1131037976.db2.gz JUEXUVLBCJHDLC-MRXNPFEDSA-N 1 0 335.455 3.694 50 0 EHAARO CCc1ccc2occ(C(=O)N3CCC4(C3)CC[NH+](C)CC4)c2c1 ZINC000575907571 1131599853 /nfs/dbraw/zinc/59/98/53/1131599853.db2.gz LWRPYHASHFIHHY-UHFFFAOYSA-N 1 0 326.440 3.553 50 0 EHAARO CNc1ncccc1C[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000065398243 1132151916 /nfs/dbraw/zinc/15/19/16/1132151916.db2.gz CELSCUMKOBKURV-OAQYLSRUSA-N 1 0 335.451 3.954 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC000581787852 1132356391 /nfs/dbraw/zinc/35/63/91/1132356391.db2.gz FJSGBVMNXJHCDT-GOSISDBHSA-N 1 0 346.490 3.729 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@H](n3c(C)cnc3-c3ccncc3)C2)o1 ZINC000581807337 1132369737 /nfs/dbraw/zinc/36/97/37/1132369737.db2.gz LOSKHSAXZJPJRM-SFHVURJKSA-N 1 0 336.439 3.992 50 0 EHAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000581817128 1132375118 /nfs/dbraw/zinc/37/51/18/1132375118.db2.gz RLCPUBSLMGAULZ-UHFFFAOYSA-N 1 0 346.519 3.898 50 0 EHAARO Cc1cc(CN2CCOCC2)cc(C)c1OCc1ncc(C2CC2)o1 ZINC000585123063 1137011800 /nfs/dbraw/zinc/01/18/00/1137011800.db2.gz SQWBKMWNYGPLCS-UHFFFAOYSA-N 1 0 342.439 3.580 50 0 EHAARO COc1ccc(OC)c(C[NH2+][C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000952860116 1137482666 /nfs/dbraw/zinc/48/26/66/1137482666.db2.gz FEOULVFRWQEAHJ-INIZCTEOSA-N 1 0 346.496 3.520 50 0 EHAARO Fc1ccc(N2CCC([N@@H+]3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000952981727 1137485295 /nfs/dbraw/zinc/48/52/95/1137485295.db2.gz USDWGMKIHGFMQF-OAQYLSRUSA-N 1 0 340.442 3.868 50 0 EHAARO O=C(C[C@@H](c1ccco1)c1ccccc1)NCC[NH+]1CCCCCC1 ZINC000952985048 1137485543 /nfs/dbraw/zinc/48/55/43/1137485543.db2.gz AMDAPUHRWZMFBT-LJQANCHMSA-N 1 0 340.467 3.794 50 0 EHAARO Cc1ccc(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)o1 ZINC000952984915 1137485554 /nfs/dbraw/zinc/48/55/54/1137485554.db2.gz YKSSKKYNTMNEDW-UHFFFAOYSA-N 1 0 327.453 3.910 50 0 EHAARO CC(=O)c1cc(CC(=O)Nc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000952988772 1137485917 /nfs/dbraw/zinc/48/59/17/1137485917.db2.gz PFMVFJDZIDMQIZ-UHFFFAOYSA-N 1 0 342.464 3.728 50 0 EHAARO O=C1C[C@H](C[NH2+]Cc2ccc(-c3cccnc3)cc2)CN1C1CCCC1 ZINC000952991291 1137485985 /nfs/dbraw/zinc/48/59/85/1137485985.db2.gz NCRLVUPNDHESQD-GOSISDBHSA-N 1 0 349.478 3.629 50 0 EHAARO CCOc1cccc(C[NH2+]C(C)(C)CO)c1OCc1ccccc1 ZINC000004703555 210253100 /nfs/dbraw/zinc/25/31/00/210253100.db2.gz YFTMUIDUSNNCBV-UHFFFAOYSA-N 1 0 329.440 3.525 50 0 EHAARO Cc1noc([C@@H]2CCC[N@H+](CCCOc3ccc(C)c(C)c3)C2)n1 ZINC000054676351 214250242 /nfs/dbraw/zinc/25/02/42/214250242.db2.gz SHARRQOHFBGNAW-QGZVFWFLSA-N 1 0 329.444 3.643 50 0 EHAARO O=C(c1cccnc1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000055258314 214297523 /nfs/dbraw/zinc/29/75/23/214297523.db2.gz YIUDNOSFZAHYPU-UHFFFAOYSA-N 1 0 349.478 3.566 50 0 EHAARO Cc1cc(C)n(CCC[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)n1 ZINC000055243094 214293582 /nfs/dbraw/zinc/29/35/82/214293582.db2.gz XVHXETKPMZLUPE-FQEVSTJZSA-N 1 0 345.462 3.710 50 0 EHAARO CC[N@H+](CCc1nc2cc(C)ccc2[nH]1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000055384132 214315787 /nfs/dbraw/zinc/31/57/87/214315787.db2.gz DBSQESGKENXNCF-UHFFFAOYSA-N 1 0 339.487 3.957 50 0 EHAARO COc1ccccc1/C=C/C[N@@H+](Cc1ccccc1)C[C@H](C)CO ZINC000055393728 214319208 /nfs/dbraw/zinc/31/92/08/214319208.db2.gz XNKBEKFLYXSRGR-HCWHUNCVSA-N 1 0 325.452 3.839 50 0 EHAARO Cn1c2ccccc2n(CN2CCC([NH+]3CCCCC3)CC2)c1=S ZINC000058080481 214477511 /nfs/dbraw/zinc/47/75/11/214477511.db2.gz YPXBOZAVLOFYIG-UHFFFAOYSA-N 1 0 344.528 3.617 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000049622783 214022783 /nfs/dbraw/zinc/02/27/83/214022783.db2.gz JDLPEWZIDQHKHD-OAQYLSRUSA-N 1 0 332.447 3.743 50 0 EHAARO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000049581340 214020029 /nfs/dbraw/zinc/02/00/29/214020029.db2.gz MTUAQGLAHCIRFJ-QGZVFWFLSA-N 1 0 342.508 3.978 50 0 EHAARO NC(=[NH2+])SCc1csc(-c2ccc(Br)cc2)n1 ZINC000004367335 210180522 /nfs/dbraw/zinc/18/05/22/210180522.db2.gz IKDNHUTZYLYCPK-UHFFFAOYSA-N 1 0 328.260 3.699 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2o1 ZINC000064968357 214817095 /nfs/dbraw/zinc/81/70/95/214817095.db2.gz XZNIVRHYUQWYDZ-UHFFFAOYSA-N 1 0 329.444 3.557 50 0 EHAARO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2OC)o1 ZINC000048833488 213967852 /nfs/dbraw/zinc/96/78/52/213967852.db2.gz YWIGIDPNKRLCPE-HNNXBMFYSA-N 1 0 344.455 3.963 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000048236186 213900432 /nfs/dbraw/zinc/90/04/32/213900432.db2.gz SKLYDYKIXSWZMJ-GASCZTMLSA-N 1 0 344.430 3.793 50 0 EHAARO CC(C)CC[C@@H](CC(=O)NCCC[NH+](C)C)[C@@H]1CCOC(C)(C)C1 ZINC000004086829 210116341 /nfs/dbraw/zinc/11/63/41/210116341.db2.gz CPICHSROJFREMV-ZWKOTPCHSA-N 1 0 340.552 3.702 50 0 biogenic EHAARO Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+]C4CC4)cc3)sc2c1 ZINC000003306116 210002184 /nfs/dbraw/zinc/00/21/84/210002184.db2.gz BTVQWIQWMCLARN-UHFFFAOYSA-N 1 0 337.448 3.962 50 0 EHAARO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000067603517 215167011 /nfs/dbraw/zinc/16/70/11/215167011.db2.gz IWYWWNVGLXSREP-HNNXBMFYSA-N 1 0 325.412 3.552 50 0 EHAARO Clc1ccccc1-c1cc(C2CC[NH+](C[C@H]3CCOC3)CC2)[nH]n1 ZINC000067696451 215189165 /nfs/dbraw/zinc/18/91/65/215189165.db2.gz OTPCGOWLKRBCHN-CQSZACIVSA-N 1 0 345.874 3.946 50 0 EHAARO CCc1nn(C)c(Cl)c1C[NH+]1CCC(c2cc(C(C)C)n[nH]2)CC1 ZINC000067878102 215237590 /nfs/dbraw/zinc/23/75/90/215237590.db2.gz HLIMUIATNWSRCE-UHFFFAOYSA-N 1 0 349.910 3.862 50 0 EHAARO Cc1oc(-c2ccco2)nc1CN(C)C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000067954385 215258888 /nfs/dbraw/zinc/25/88/88/215258888.db2.gz IPDBDDRENLDHFN-MRXNPFEDSA-N 1 0 331.460 3.795 50 0 EHAARO CCC(C)(C)[NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000040162287 213276545 /nfs/dbraw/zinc/27/65/45/213276545.db2.gz LWSZWRQTGVGSMI-AWEZNQCLSA-N 1 0 345.468 3.797 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1csc2c1CCCC2)c1cccs1 ZINC000040025454 213252902 /nfs/dbraw/zinc/25/29/02/213252902.db2.gz GLYZENZZGGJINQ-CQSZACIVSA-N 1 0 334.510 3.721 50 0 EHAARO CCN(Cc1cccs1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040016112 213251915 /nfs/dbraw/zinc/25/19/15/213251915.db2.gz CEGUERIHAKJPEB-MRXNPFEDSA-N 1 0 347.484 3.710 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1cccc2c1CCCC2 ZINC000040023984 213252014 /nfs/dbraw/zinc/25/20/14/213252014.db2.gz TWSDYAKVAFJOOA-UHFFFAOYSA-N 1 0 337.467 3.949 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c(F)cccc1F ZINC000040043249 213254620 /nfs/dbraw/zinc/25/46/20/213254620.db2.gz QBWKHXRGCUZMRG-KRWDZBQOSA-N 1 0 330.378 3.532 50 0 EHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2cc1O ZINC000036664139 213108319 /nfs/dbraw/zinc/10/83/19/213108319.db2.gz GBXJKLIBJXEMSO-IBGZPJMESA-N 1 0 346.430 3.550 50 0 EHAARO CCC[NH2+]Cc1nc(=O)c2c(-c3ccc(C)cc3C)csc2[nH]1 ZINC000036154425 213074116 /nfs/dbraw/zinc/07/41/16/213074116.db2.gz PSGCIZFMAQKRLM-UHFFFAOYSA-N 1 0 327.453 3.768 50 0 EHAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2C)C(C)C)cc1 ZINC000036104489 213068553 /nfs/dbraw/zinc/06/85/53/213068553.db2.gz YROWPEYFXHYBFJ-IBGZPJMESA-N 1 0 343.467 3.654 50 0 EHAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036095375 213063257 /nfs/dbraw/zinc/06/32/57/213063257.db2.gz SMMLTEOBPSOHII-OAQYLSRUSA-N 1 0 345.458 3.861 50 0 EHAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2)o1 ZINC000036031162 213056644 /nfs/dbraw/zinc/05/66/44/213056644.db2.gz QFBFTFLPMYZJMQ-GOSISDBHSA-N 1 0 331.456 3.876 50 0 EHAARO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCc2ccccc21 ZINC000032751338 212834242 /nfs/dbraw/zinc/83/42/42/212834242.db2.gz LJRXYRUGSFBOGF-HXUWFJFHSA-N 1 0 348.446 3.682 50 0 EHAARO C[NH+](C)CCCNC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000032611351 212818804 /nfs/dbraw/zinc/81/88/04/212818804.db2.gz XDEOYQOCIZDLIL-UHFFFAOYSA-N 1 0 331.268 3.890 50 0 EHAARO COCc1cc(C[N@@H+]2CCCN(c3ccccc3)CC2)ccc1OC ZINC000072144397 216029985 /nfs/dbraw/zinc/02/99/85/216029985.db2.gz MEMDOYYTPJQYAJ-UHFFFAOYSA-N 1 0 340.467 3.554 50 0 EHAARO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 ZINC000030772440 212709651 /nfs/dbraw/zinc/70/96/51/212709651.db2.gz XQFJYBSENJTNOH-HNNXBMFYSA-N 1 0 344.842 3.591 50 0 EHAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1cnc(-c2cccs2)nc1 ZINC000072425786 216216462 /nfs/dbraw/zinc/21/64/62/216216462.db2.gz AUGCQIVGIUJEOM-INIZCTEOSA-N 1 0 330.501 3.511 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](COc3cccc(C)c3)C2)c(C)n1 ZINC000072463165 216245076 /nfs/dbraw/zinc/24/50/76/216245076.db2.gz GTHRSONEBHVHOT-GOSISDBHSA-N 1 0 327.472 3.811 50 0 EHAARO CC(=O)Nc1ccc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000023373703 212372869 /nfs/dbraw/zinc/37/28/69/212372869.db2.gz DDLGVPWFXVWKIW-OAQYLSRUSA-N 1 0 343.515 3.779 50 0 EHAARO Cc1ncc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000023358240 212370569 /nfs/dbraw/zinc/37/05/69/212370569.db2.gz GNKRLCGGZMEKFP-SFHVURJKSA-N 1 0 329.513 3.590 50 0 EHAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)c1 ZINC000023158429 212356501 /nfs/dbraw/zinc/35/65/01/212356501.db2.gz YPJUPDCAZYDMPQ-UHFFFAOYSA-N 1 0 332.451 3.620 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000023127990 212351686 /nfs/dbraw/zinc/35/16/86/212351686.db2.gz KUJQTLCVZYQEQV-UHFFFAOYSA-N 1 0 342.870 3.982 50 0 EHAARO COc1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)ccc1O ZINC000194989843 240793732 /nfs/dbraw/zinc/79/37/32/240793732.db2.gz UQDBWMHNQMHQLK-UHFFFAOYSA-N 1 0 345.414 3.721 50 0 EHAARO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000215347532 241119963 /nfs/dbraw/zinc/11/99/63/241119963.db2.gz GLFUWDGUYLBILT-OAHLLOKOSA-N 1 0 342.414 3.673 50 0 EHAARO Cc1nccc(C2CC[NH+](Cc3cc(-c4ccccc4)no3)CC2)n1 ZINC000215169063 241112586 /nfs/dbraw/zinc/11/25/86/241112586.db2.gz QOLZUFNBVHVWSQ-UHFFFAOYSA-N 1 0 334.423 3.820 50 0 EHAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@](O)(c2ccccc2C)C1 ZINC000215566167 241132185 /nfs/dbraw/zinc/13/21/85/241132185.db2.gz JWSRRGAVEAYJBN-QFIPXVFZSA-N 1 0 347.462 3.583 50 0 EHAARO Cc1nc(CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)no1 ZINC000215637315 241136271 /nfs/dbraw/zinc/13/62/71/241136271.db2.gz JMKKIFHQEURANT-UHFFFAOYSA-N 1 0 339.361 3.852 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)NCc3ccccc3)CC2)C1 ZINC000021718213 212242985 /nfs/dbraw/zinc/24/29/85/212242985.db2.gz ZSGWHQCVAYSFKY-HDICACEKSA-N 1 0 343.515 3.586 50 0 EHAARO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237600251 242710263 /nfs/dbraw/zinc/71/02/63/242710263.db2.gz PWQRXHCGHWLNHS-SMDDNHRTSA-N 1 0 341.282 3.903 50 0 EHAARO C[C@H](NC(=O)NCC1=CC[N@H+](C)CC1)c1cc2ccccc2s1 ZINC000242147471 243010524 /nfs/dbraw/zinc/01/05/24/243010524.db2.gz WSCSVXJLNLCJNQ-ZDUSSCGKSA-N 1 0 329.469 3.523 50 0 EHAARO COc1ccc2c(c1)CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000244701063 243060141 /nfs/dbraw/zinc/06/01/41/243060141.db2.gz JZMHVZUFPOQPFF-OAQYLSRUSA-N 1 0 336.479 3.718 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000020778258 212170738 /nfs/dbraw/zinc/17/07/38/212170738.db2.gz UVIBHGPYFWTWKA-LJQANCHMSA-N 1 0 338.499 3.754 50 0 EHAARO COc1ccc(-c2nc3c[nH]n([C@@H](C)C(C)C)c-3n2)cc1C[NH+](C)C ZINC000020210776 212111814 /nfs/dbraw/zinc/11/18/14/212111814.db2.gz NVMGFCLMRBIECK-ZDUSSCGKSA-N 1 0 341.459 3.714 50 0 EHAARO CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000019871843 212077354 /nfs/dbraw/zinc/07/73/54/212077354.db2.gz XSOXWLLLSNOJGJ-FZKQIMNGSA-N 1 0 349.858 3.959 50 0 EHAARO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OC ZINC000019872041 212077204 /nfs/dbraw/zinc/07/72/04/212077204.db2.gz SWZPWNPQKJYDCW-INIZCTEOSA-N 1 0 335.831 3.571 50 0 EHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccc(OC)cc3F)c2c1 ZINC000019798240 212070293 /nfs/dbraw/zinc/07/02/93/212070293.db2.gz UUWWVTXKZQBAPW-UHFFFAOYSA-N 1 0 342.414 3.965 50 0 EHAARO COc1ccccc1-c1n[nH]c2c1C[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC000019790846 212068044 /nfs/dbraw/zinc/06/80/44/212068044.db2.gz JSYHVEIWFWCRKC-ARFHVFGLSA-N 1 0 335.451 3.656 50 0 EHAARO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccccc1)C2=O ZINC000019744494 212060690 /nfs/dbraw/zinc/06/06/90/212060690.db2.gz LYLWYSHPZSHOHR-OAQYLSRUSA-N 1 0 328.500 3.590 50 0 EHAARO CC[C@@H]1[C@H](O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000013768873 211634763 /nfs/dbraw/zinc/63/47/63/211634763.db2.gz WBWWKIRERSPQIP-PLACYPQZSA-N 1 0 341.451 3.867 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(-c3ncco3)ccc2C)C1 ZINC000089335549 217787720 /nfs/dbraw/zinc/78/77/20/217787720.db2.gz MOOWNHNSUWIEBD-MRXNPFEDSA-N 1 0 342.443 3.598 50 0 EHAARO Cc1cc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)ccc1F ZINC000012973006 211496274 /nfs/dbraw/zinc/49/62/74/211496274.db2.gz ZQYDBBQLSNAAGX-UHFFFAOYSA-N 1 0 335.467 3.588 50 0 EHAARO CC(C)(C)[NH2+]Cc1ccc(OC[C@@H]2COc3ccccc3O2)cc1 ZINC000012381487 211362156 /nfs/dbraw/zinc/36/21/56/211362156.db2.gz RGFREYQVSMKBTR-QGZVFWFLSA-N 1 0 327.424 3.794 50 0 EHAARO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000012331498 211348758 /nfs/dbraw/zinc/34/87/58/211348758.db2.gz RFHVTZFJAUQFDM-UHFFFAOYSA-N 1 0 336.357 3.697 50 0 EHAARO CC(C)[N@@H+]1CC[C@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000011844087 211256383 /nfs/dbraw/zinc/25/63/83/211256383.db2.gz UEBJHPRHGPDLLI-CQSZACIVSA-N 1 0 348.878 3.552 50 0 EHAARO Cc1ccsc1[C@@H]1C[C@H]2CN(C3CCCC3)C(=O)[C@]23CCC[N@H+]13 ZINC000011762055 211244893 /nfs/dbraw/zinc/24/48/93/211244893.db2.gz QDFIDIPORPMZPT-QOKNQOGYSA-N 1 0 330.497 3.737 50 0 EHAARO Cc1c(F)cccc1C[NH+]1CCC2(CC(=O)N(CC(C)C)C2)CC1 ZINC000091725168 218054957 /nfs/dbraw/zinc/05/49/57/218054957.db2.gz FUGZUHKBZLBLGK-UHFFFAOYSA-N 1 0 332.463 3.605 50 0 EHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNc2nnc(C(C)(C)C)o2)C1 ZINC000092065872 218112564 /nfs/dbraw/zinc/11/25/64/218112564.db2.gz VXJKKZLGRCCBRW-OAHLLOKOSA-N 1 0 328.460 3.577 50 0 EHAARO COc1cc(Cl)cc(C[NH2+]C(C)(C)CO)c1OCc1ccccc1 ZINC000010473848 211176166 /nfs/dbraw/zinc/17/61/66/211176166.db2.gz OOCGATGWBFVIIA-UHFFFAOYSA-N 1 0 349.858 3.788 50 0 EHAARO CC(=O)Nc1ccccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000092736196 218164095 /nfs/dbraw/zinc/16/40/95/218164095.db2.gz WYNOYNOKNSGBRF-UHFFFAOYSA-N 1 0 330.472 3.959 50 0 EHAARO CSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009991620 211139016 /nfs/dbraw/zinc/13/90/16/211139016.db2.gz MLQLSGHMWVZBJY-UHFFFAOYSA-N 1 0 340.492 3.934 50 0 EHAARO CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000093838536 218253143 /nfs/dbraw/zinc/25/31/43/218253143.db2.gz WASVMUBEXUMYFO-MRXNPFEDSA-N 1 0 344.842 3.952 50 0 EHAARO CC[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3cc(C)on3)c2C)C1 ZINC000095350090 218283920 /nfs/dbraw/zinc/28/39/20/218283920.db2.gz CCZCVIKYISBZBL-MRXNPFEDSA-N 1 0 329.444 3.695 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1F ZINC000009051781 211034514 /nfs/dbraw/zinc/03/45/14/211034514.db2.gz AOZYAXZFOZYUNW-UHFFFAOYSA-N 1 0 327.403 3.743 50 0 EHAARO CC(C)c1noc([C@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)n1 ZINC000095371204 218303842 /nfs/dbraw/zinc/30/38/42/218303842.db2.gz HHGKNJRVUAFOAW-MRXNPFEDSA-N 1 0 348.491 3.513 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2ccsc2)cc1Cn1cccn1 ZINC000095420299 218360729 /nfs/dbraw/zinc/36/07/29/218360729.db2.gz GYEPROLLRNQHPX-CQSZACIVSA-N 1 0 327.453 3.852 50 0 EHAARO O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000095420654 218362214 /nfs/dbraw/zinc/36/22/14/218362214.db2.gz XRXXRUSOZSKPGI-HXUWFJFHSA-N 1 0 338.426 3.725 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc2c(c1)OCCO2 ZINC000095420666 218362222 /nfs/dbraw/zinc/36/22/22/218362222.db2.gz ZUBPLVJZEPADRU-MRXNPFEDSA-N 1 0 349.434 3.553 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1ccsc1 ZINC000095420873 218362363 /nfs/dbraw/zinc/36/23/63/218362363.db2.gz BYAFHRPAPXVACU-KSSFIOAISA-N 1 0 344.480 3.508 50 0 EHAARO Cc1cnc([C@@H]([NH2+][C@H](C)CC(=O)N2CCCCCC2)C2CC2)s1 ZINC000095423348 218366346 /nfs/dbraw/zinc/36/63/46/218366346.db2.gz YHZSJQPEDCMJFM-DYVFJYSZSA-N 1 0 335.517 3.673 50 0 EHAARO C[C@H]([NH2+]Cc1ccnc2[nH]ccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000095462186 218401952 /nfs/dbraw/zinc/40/19/52/218401952.db2.gz MDGAMTANVPFWJN-ZDUSSCGKSA-N 1 0 334.423 3.762 50 0 EHAARO C[NH+]1CCC(n2nc(CC3CC3)nc2-c2ccc(F)cc2Cl)CC1 ZINC000095496987 218412700 /nfs/dbraw/zinc/41/27/00/218412700.db2.gz NXIIZYJENNIYAK-UHFFFAOYSA-N 1 0 348.853 3.957 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000008130576 210899419 /nfs/dbraw/zinc/89/94/19/210899419.db2.gz PJRSJSSTYTYLOX-UHFFFAOYSA-N 1 0 329.271 3.527 50 0 EHAARO CCc1cc(N2CCC([NH2+][C@@H](C)CSC(C)(C)C)CC2)ncn1 ZINC000095968915 218473329 /nfs/dbraw/zinc/47/33/29/218473329.db2.gz BBVKWXMZOHOYBS-AWEZNQCLSA-N 1 0 336.549 3.518 50 0 EHAARO Fc1ccccc1NC(=S)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000007678392 210830121 /nfs/dbraw/zinc/83/01/21/210830121.db2.gz NDVGEINTIHKSFL-MRXNPFEDSA-N 1 0 347.459 3.932 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000004871640 210309811 /nfs/dbraw/zinc/30/98/11/210309811.db2.gz URLNSGPOCKGZAN-MRXNPFEDSA-N 1 0 339.483 3.626 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCc2ccccc2C1 ZINC000004746298 210269469 /nfs/dbraw/zinc/26/94/69/210269469.db2.gz GOXAGARIXTUIPU-GOSISDBHSA-N 1 0 340.492 3.545 50 0 EHAARO Cn1c2ccccc2nc1[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1 ZINC000408514307 257984580 /nfs/dbraw/zinc/98/45/80/257984580.db2.gz CQEIKGLZZGTEBU-JXFKEZNVSA-N 1 0 335.451 3.679 50 0 EHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2)N3)C1 ZINC000004553961 258051127 /nfs/dbraw/zinc/05/11/27/258051127.db2.gz LVNIUUIRASQTGX-INIZCTEOSA-N 1 0 327.453 3.944 50 0 EHAARO CCCC[C@H](c1cccnc1)N(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000299760543 258077736 /nfs/dbraw/zinc/07/77/36/258077736.db2.gz WEVSTUXUEVJGTA-GOSISDBHSA-N 1 0 326.444 3.936 50 0 EHAARO CCCC[NH2+][C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000299765072 258080012 /nfs/dbraw/zinc/08/00/12/258080012.db2.gz ZZHLDWJDYCYONA-QGZVFWFLSA-N 1 0 326.488 3.995 50 0 EHAARO CC(C)C[C@H](C)[NH2+]C1CCN(c2cccc(N3CCCC3=O)c2)CC1 ZINC000063884281 132806030 /nfs/dbraw/zinc/80/60/30/132806030.db2.gz SPJGXMIFNSZRLG-KRWDZBQOSA-N 1 0 343.515 3.806 50 0 EHAARO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000170048979 226600766 /nfs/dbraw/zinc/60/07/66/226600766.db2.gz RTXWLOMAYYPZNO-ZIAGYGMSSA-N 1 0 346.377 3.501 50 0 EHAARO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000192742862 525543851 /nfs/dbraw/zinc/54/38/51/525543851.db2.gz SNNZCDAPWZYFLB-ZWOKBUDYSA-N 1 0 338.451 3.771 50 0 EHAARO O=C(CCC1CC[NH2+]CC1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000155116628 526409753 /nfs/dbraw/zinc/40/97/53/526409753.db2.gz OMRNPGJQEKSGBY-QGZVFWFLSA-N 1 0 334.891 3.653 50 0 EHAARO Cn1nccc1[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000084303764 564067687 /nfs/dbraw/zinc/06/76/87/564067687.db2.gz MVTPIZOOMROYDD-GFCCVEGCSA-N 1 0 340.290 3.624 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000000257456 563267860 /nfs/dbraw/zinc/26/78/60/563267860.db2.gz KYMDWKGHAZIHNA-BETUJISGSA-N 1 0 339.277 3.756 50 0 in-vitro EHAARO O=C(O[C@@H]1C[NH+]2CCC1CC2)C1c2ccccc2Oc2ccccc21 ZINC000000534283 563343517 /nfs/dbraw/zinc/34/35/17/563343517.db2.gz DAIWBMZPSVQRCH-LJQANCHMSA-N 1 0 335.403 3.562 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]Cc2ccccc2)CCCC1 ZINC000000571520 563350086 /nfs/dbraw/zinc/35/00/86/563350086.db2.gz MQJVMBQJHBLUAH-LJQANCHMSA-N 1 0 348.490 3.979 50 0 EHAARO CCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccccc2)C2CCCC2)C1 ZINC000584901887 563417214 /nfs/dbraw/zinc/41/72/14/563417214.db2.gz LOXXLLIRHAHEDD-SFHVURJKSA-N 1 0 329.488 3.625 50 0 EHAARO C[NH2+]CCCCOc1cccc2c1SCc1ccccc1C2=O ZINC000005719801 563546967 /nfs/dbraw/zinc/54/69/67/563546967.db2.gz JTAPOVSFUOGMDI-UHFFFAOYSA-N 1 0 327.449 3.902 50 0 EHAARO CCS[C@H]1CCCC[N@@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000071904334 563559736 /nfs/dbraw/zinc/55/97/36/563559736.db2.gz CFBXXFHLHSCIDB-ZFWWWQNUSA-N 1 0 332.473 3.800 50 0 EHAARO O[C@@H](C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 ZINC000071910195 563574403 /nfs/dbraw/zinc/57/44/03/563574403.db2.gz QMRJOCCYYJXUME-NSHDSACASA-N 1 0 327.268 3.537 50 0 EHAARO CCc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000002966298 563624349 /nfs/dbraw/zinc/62/43/49/563624349.db2.gz FSTIHCCBJPHCHJ-NRFANRHFSA-N 1 0 339.434 3.648 50 0 EHAARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000002966468 563624369 /nfs/dbraw/zinc/62/43/69/563624369.db2.gz WEBOOTVXBRJVCU-FQEVSTJZSA-N 1 0 341.862 3.909 50 0 EHAARO COCc1ccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)o1 ZINC000097494192 563640744 /nfs/dbraw/zinc/64/07/44/563640744.db2.gz KQNCRRCKNYHKMC-UHFFFAOYSA-N 1 0 342.439 3.910 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000012139862 563654662 /nfs/dbraw/zinc/65/46/62/563654662.db2.gz OCWKRSVQUNLLTR-YRGRVCCFSA-N 1 0 332.271 3.711 50 0 EHAARO Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC000012578952 563663906 /nfs/dbraw/zinc/66/39/06/563663906.db2.gz RIMHGDPRLYWOAD-QGZVFWFLSA-N 1 0 328.481 3.793 50 0 EHAARO O=C(NC[C@H]1CCC[NH2+]C1)OCC1c2ccccc2-c2ccccc21 ZINC000012649492 563666863 /nfs/dbraw/zinc/66/68/63/563666863.db2.gz WZHGXXJVKXQRNU-HNNXBMFYSA-N 1 0 336.435 3.525 50 0 EHAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000012810785 563674470 /nfs/dbraw/zinc/67/44/70/563674470.db2.gz GQRJUNCNKJFHIO-CALCHBBNSA-N 1 0 338.451 3.791 50 0 EHAARO COc1ccc([C@@H](CNC(=O)Nc2ccccc2)[NH+]2CCCC2)cc1 ZINC000012984502 563682052 /nfs/dbraw/zinc/68/20/52/563682052.db2.gz HWAIHLFYOVYAHZ-LJQANCHMSA-N 1 0 339.439 3.654 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000014062048 563737294 /nfs/dbraw/zinc/73/72/94/563737294.db2.gz QYJNXGPGQDIWCG-OAQYLSRUSA-N 1 0 344.458 3.971 50 0 EHAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](CCCSC)C1 ZINC000015075238 563776293 /nfs/dbraw/zinc/77/62/93/563776293.db2.gz PTWNGAATKDXXDR-ZDUSSCGKSA-N 1 0 341.904 3.996 50 0 EHAARO Cc1ccc(OCC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1C ZINC000015831536 563793444 /nfs/dbraw/zinc/79/34/44/563793444.db2.gz DKGKOMQNLQULOL-IBGZPJMESA-N 1 0 344.499 3.549 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCCC2)o1 ZINC000015860158 563796660 /nfs/dbraw/zinc/79/66/60/563796660.db2.gz LSMZMLDNMITJMZ-GOSISDBHSA-N 1 0 326.440 3.853 50 0 EHAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016396249 563810215 /nfs/dbraw/zinc/81/02/15/563810215.db2.gz HJNGEKMOEJOJSW-UHFFFAOYSA-N 1 0 342.870 3.868 50 0 EHAARO CC[NH+]1CCC(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000016579935 563815400 /nfs/dbraw/zinc/81/54/00/563815400.db2.gz ULOXXKGBALSIAW-UHFFFAOYSA-N 1 0 340.851 3.908 50 0 EHAARO CCCn1cc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(C)n1 ZINC000019228315 563855225 /nfs/dbraw/zinc/85/52/25/563855225.db2.gz YOEBFSBUGOCPNN-OAQYLSRUSA-N 1 0 340.515 3.698 50 0 EHAARO Cc1c([C@H](C)[NH2+]Cc2cccc(O)c2)cnn1-c1ccc(F)cc1 ZINC000069871651 563862216 /nfs/dbraw/zinc/86/22/16/563862216.db2.gz ANUHZMUZXNUVDT-ZDUSSCGKSA-N 1 0 325.387 3.876 50 0 EHAARO Cc1ccc(CN(C)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)s1 ZINC000069876757 563866955 /nfs/dbraw/zinc/86/69/55/563866955.db2.gz BCVSPJQGRKNWFV-HNNXBMFYSA-N 1 0 337.514 3.562 50 0 EHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1 ZINC000024926733 563877530 /nfs/dbraw/zinc/87/75/30/563877530.db2.gz PYJQOJFWSRNHRS-UHFFFAOYSA-N 1 0 349.434 3.622 50 0 EHAARO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000027558545 563896678 /nfs/dbraw/zinc/89/66/78/563896678.db2.gz NYTDGXPMFJSYME-GFCCVEGCSA-N 1 0 345.805 3.680 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000027794447 563899743 /nfs/dbraw/zinc/89/97/43/563899743.db2.gz IMFPSWGHUFEIHD-IBGZPJMESA-N 1 0 326.415 3.701 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)nc12 ZINC000027906176 563900247 /nfs/dbraw/zinc/90/02/47/563900247.db2.gz JGKJEMHLTSMUSX-LJQANCHMSA-N 1 0 333.435 3.512 50 0 EHAARO Clc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)c(Cl)c1 ZINC000030900821 563911616 /nfs/dbraw/zinc/91/16/16/563911616.db2.gz NMLSVMOXPMNEHR-UHFFFAOYSA-N 1 0 347.249 3.923 50 0 EHAARO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000030921158 563911754 /nfs/dbraw/zinc/91/17/54/563911754.db2.gz YOHBXZHYGMGYJQ-LLVKDONJSA-N 1 0 336.233 3.731 50 0 EHAARO CCCO[C@@H]1CCC[N@@H+](C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000032603583 563914114 /nfs/dbraw/zinc/91/41/14/563914114.db2.gz GYKLWVFSHKRIIQ-HXUWFJFHSA-N 1 0 332.488 3.555 50 0 EHAARO CCN(C(=O)C[N@H+](CC)[C@@H](Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000072304910 563914420 /nfs/dbraw/zinc/91/44/20/563914420.db2.gz STBVSWIFTOAGTA-FQEVSTJZSA-N 1 0 328.500 3.649 50 0 EHAARO CC[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 ZINC000003277107 563918837 /nfs/dbraw/zinc/91/88/37/563918837.db2.gz UDGVNVUFJGOZDT-GOSISDBHSA-N 1 0 325.880 3.872 50 0 EHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000269249267 563920685 /nfs/dbraw/zinc/92/06/85/563920685.db2.gz FQULFCMFMSWKTK-MCIONIFRSA-N 1 0 342.405 3.785 50 0 EHAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)cc1 ZINC000057354903 563935573 /nfs/dbraw/zinc/93/55/73/563935573.db2.gz IPCCAFQOUXFBMM-OAHLLOKOSA-N 1 0 338.407 3.564 50 0 EHAARO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000057992787 563936253 /nfs/dbraw/zinc/93/62/53/563936253.db2.gz RPOMHHYLUHXVNV-FUHWJXTLSA-N 1 0 335.444 3.602 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000057996902 563936410 /nfs/dbraw/zinc/93/64/10/563936410.db2.gz AWHLEOHRGNASLV-SFHVURJKSA-N 1 0 343.496 3.633 50 0 EHAARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)Nc1cccc(F)c1 ZINC000058009734 563936600 /nfs/dbraw/zinc/93/66/00/563936600.db2.gz DFUMKVZHTNTLKH-UHFFFAOYSA-N 1 0 343.446 3.854 50 0 EHAARO [NH2+]=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1ccccc1 ZINC000058111975 563937535 /nfs/dbraw/zinc/93/75/35/563937535.db2.gz FMVRPVVAEQYIMX-UHFFFAOYSA-N 1 0 337.349 3.539 50 0 EHAARO CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000058160697 563938305 /nfs/dbraw/zinc/93/83/05/563938305.db2.gz IVQCIVKWIZZKSC-LBPRGKRZSA-N 1 0 330.815 3.659 50 0 EHAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)C(F)(F)c1ccccc1 ZINC000058406524 563945077 /nfs/dbraw/zinc/94/50/77/563945077.db2.gz XFYBQVKDLFNIQR-UHFFFAOYSA-N 1 0 336.426 3.549 50 0 EHAARO Cc1[nH]c2c(cccc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1C ZINC000058432362 563946244 /nfs/dbraw/zinc/94/62/44/563946244.db2.gz VOCPVOMJTKAEIO-UHFFFAOYSA-N 1 0 327.472 3.731 50 0 EHAARO Cc1ccc(-c2nnc(CN3CC[NH+](CCC(C)(C)C)CC3)o2)cc1 ZINC000059812209 563949434 /nfs/dbraw/zinc/94/94/34/563949434.db2.gz JWWUARJVSNISQP-UHFFFAOYSA-N 1 0 342.487 3.599 50 0 EHAARO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096415132 563951078 /nfs/dbraw/zinc/95/10/78/563951078.db2.gz RCKSLUSOLPXLDN-SJLPKXTDSA-N 1 0 338.455 3.598 50 0 EHAARO CC(=O)N(c1nc(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cs1)C1CC1 ZINC000096429077 563952265 /nfs/dbraw/zinc/95/22/65/563952265.db2.gz BPIAHZJGVZHIEM-HUUCEWRRSA-N 1 0 333.501 3.717 50 0 EHAARO CC(=O)N(c1nc(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)cs1)C1CC1 ZINC000096429076 563952287 /nfs/dbraw/zinc/95/22/87/563952287.db2.gz BPIAHZJGVZHIEM-GJZGRUSLSA-N 1 0 333.501 3.717 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@]2(O)CCCc3ccccc32)c1 ZINC000096477368 563954946 /nfs/dbraw/zinc/95/49/46/563954946.db2.gz TYCHNYWHNSWPBM-QVKFZJNVSA-N 1 0 338.451 3.520 50 0 EHAARO C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096478640 563955090 /nfs/dbraw/zinc/95/50/90/563955090.db2.gz KMNKTTPRVDPSPK-RYUDHWBXSA-N 1 0 347.521 3.800 50 0 EHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000065371612 563958448 /nfs/dbraw/zinc/95/84/48/563958448.db2.gz XYSPNGYJTOABSV-LJQANCHMSA-N 1 0 349.478 3.549 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccn2)C(C)C)ccc1Cl ZINC000065372735 563958603 /nfs/dbraw/zinc/95/86/03/563958603.db2.gz QOKMHTGAGGPPCA-SFHVURJKSA-N 1 0 331.847 3.969 50 0 EHAARO Cc1cc(-n2nc(CCc3ccccc3)nc2C2CCOCC2)cc[nH+]1 ZINC000065374708 563958749 /nfs/dbraw/zinc/95/87/49/563958749.db2.gz FSWRZDGLNCWSMW-UHFFFAOYSA-N 1 0 348.450 3.650 50 0 EHAARO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2cc3ccccc3n2C)C[C@H]1O ZINC000065385874 563959309 /nfs/dbraw/zinc/95/93/09/563959309.db2.gz XKVCYPSJXZJVRO-IEBWSBKVSA-N 1 0 340.492 3.899 50 0 EHAARO c1ccn(CC[N@H+]2CC=C(c3cnn(Cc4ccccc4)c3)CC2)c1 ZINC000065393741 563959530 /nfs/dbraw/zinc/95/95/30/563959530.db2.gz HTVFABWHJOQGJF-UHFFFAOYSA-N 1 0 332.451 3.522 50 0 EHAARO O[C@@H]1C[N@H+](Cc2cccc3cccnc32)CC[C@H]1c1ccc(F)cc1 ZINC000065462230 563961175 /nfs/dbraw/zinc/96/11/75/563961175.db2.gz CWTTWGGPGOCNBL-VQTJNVASSA-N 1 0 336.410 3.724 50 0 EHAARO CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1cc(C)ccc1-n1cccn1 ZINC000071762804 563965443 /nfs/dbraw/zinc/96/54/43/563965443.db2.gz JHGUYYCXDBOYJH-HXUWFJFHSA-N 1 0 335.455 3.651 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000071769749 563965608 /nfs/dbraw/zinc/96/56/08/563965608.db2.gz RSGZFCYQCKXIQH-GOSISDBHSA-N 1 0 336.479 3.723 50 0 EHAARO C[NH+](C)CCC[C@]1(O)c2ccccc2COc2ccc(Cl)cc21 ZINC000071770622 563965631 /nfs/dbraw/zinc/96/56/31/563965631.db2.gz KCBSHHSUTBTCFH-IBGZPJMESA-N 1 0 331.843 3.810 50 0 EHAARO Cc1nc2ccccn2c1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000097033191 563966850 /nfs/dbraw/zinc/96/68/50/563966850.db2.gz RLMBGVMQNYOFRK-OAHLLOKOSA-N 1 0 348.450 3.620 50 0 EHAARO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCNc2cc[nH+]cc2)cc1 ZINC000097097359 563967475 /nfs/dbraw/zinc/96/74/75/563967475.db2.gz ADBBKOAATLLISX-VQTJNVASSA-N 1 0 337.467 3.927 50 0 EHAARO [NH3+]CCc1cccc(CN2CCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077454165 563969700 /nfs/dbraw/zinc/96/97/00/563969700.db2.gz CGQJZNDDLJLMSQ-LJQANCHMSA-N 1 0 338.430 3.540 50 0 EHAARO Cc1cc(C(=O)N2CCCC[C@H]([NH+](C)C)C2)c(-c2ccccc2)o1 ZINC000082157134 563972758 /nfs/dbraw/zinc/97/27/58/563972758.db2.gz XSCNJADVFFNOET-KRWDZBQOSA-N 1 0 326.440 3.811 50 0 EHAARO CCOC[C@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000585141657 563973410 /nfs/dbraw/zinc/97/34/10/563973410.db2.gz YSMXPMGKIPXXCJ-INIZCTEOSA-N 1 0 334.460 3.892 50 0 EHAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1cccc3c(Cl)cccc13)C2 ZINC000091270611 563975170 /nfs/dbraw/zinc/97/51/70/563975170.db2.gz FWROMWSZWZLSJN-UONOGXRCSA-N 1 0 328.843 3.659 50 0 EHAARO COc1cccc2ccc(N3CCC[C@@H](C[NH+]4CCCCC4)C3)nc21 ZINC000096138951 563979468 /nfs/dbraw/zinc/97/94/68/563979468.db2.gz RXOMFHVHUWIRHZ-KRWDZBQOSA-N 1 0 339.483 3.946 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1 ZINC000237252691 563991263 /nfs/dbraw/zinc/99/12/63/563991263.db2.gz LRRSQJOMDPRLNG-AWEZNQCLSA-N 1 0 346.471 3.934 50 0 EHAARO C[C@@H](C(=O)N1CCC(OC2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000408513559 563992745 /nfs/dbraw/zinc/99/27/45/563992745.db2.gz GPWSWKHNXRSPFY-UZLBHIALSA-N 1 0 344.499 3.663 50 0 EHAARO C[NH+](C)CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000061303158 563993854 /nfs/dbraw/zinc/99/38/54/563993854.db2.gz MCRGCXKIHNQYHH-UHFFFAOYSA-N 1 0 336.464 3.859 50 0 EHAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000248139990 563995286 /nfs/dbraw/zinc/99/52/86/563995286.db2.gz PWVYSPKVLPAUFT-WOJBJXKFSA-N 1 0 339.483 3.576 50 0 EHAARO O=C(NCc1cnc2ccccn12)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426503157 563996219 /nfs/dbraw/zinc/99/62/19/563996219.db2.gz JTFCAZFKHJVHEQ-QFIPXVFZSA-N 1 0 345.446 3.853 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000078890533 564000884 /nfs/dbraw/zinc/00/08/84/564000884.db2.gz LTOOEIHGCIZVQD-NXPJVHOHSA-N 1 0 349.425 3.744 50 0 EHAARO CS[C@@H](C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000156214368 564008839 /nfs/dbraw/zinc/00/88/39/564008839.db2.gz AOLQYGLCDNDXBW-ZDUSSCGKSA-N 1 0 340.920 3.562 50 0 EHAARO O[C@@](c1ccccc1)(c1ccc(Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000000499787 564018439 /nfs/dbraw/zinc/01/84/39/564018439.db2.gz UNTIDFUYZYGXBI-PMACEKPBSA-N 1 0 327.855 3.918 50 0 EHAARO O[C@H](C[NH2+]CC1(c2ccccc2)CCCC1)COc1ccccc1 ZINC000005731389 564024587 /nfs/dbraw/zinc/02/45/87/564024587.db2.gz OZHWMCXKNRLLGS-LJQANCHMSA-N 1 0 325.452 3.528 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000106799361 564026687 /nfs/dbraw/zinc/02/66/87/564026687.db2.gz PCANGFGTSIWPAH-JKSUJKDBSA-N 1 0 333.451 3.944 50 0 EHAARO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1O ZINC000108172023 564027999 /nfs/dbraw/zinc/02/79/99/564027999.db2.gz CELKOTBIWUOQPF-JKSUJKDBSA-N 1 0 345.405 3.857 50 0 EHAARO C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CCOCC1 ZINC000108462339 564028252 /nfs/dbraw/zinc/02/82/52/564028252.db2.gz LMUDQKJMYZOEPW-IXDOHACOSA-N 1 0 332.488 3.523 50 0 EHAARO Cc1cc(C(=O)CN2CCC([NH2+]C3CCCC3)CC2)c(C)n1C1CC1 ZINC000111300779 564029756 /nfs/dbraw/zinc/02/97/56/564029756.db2.gz OLXQPOUWDRGQQO-UHFFFAOYSA-N 1 0 343.515 3.619 50 0 EHAARO CC(C)[N@H+](C)CCCNC(=O)CCc1cccc(Cl)c1Cl ZINC000048106147 564029918 /nfs/dbraw/zinc/02/99/18/564029918.db2.gz QJZGVIJCCQHXGQ-UHFFFAOYSA-N 1 0 331.287 3.773 50 0 EHAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CCSC1CCCC1 ZINC000048252283 564030428 /nfs/dbraw/zinc/03/04/28/564030428.db2.gz SAQJWKSCONADSS-UHFFFAOYSA-N 1 0 345.468 3.571 50 0 EHAARO Cc1noc(C)c1C[N@@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000214957746 564033455 /nfs/dbraw/zinc/03/34/55/564033455.db2.gz CANYWDZACDXIPN-UHFFFAOYSA-N 1 0 342.468 3.613 50 0 EHAARO COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OCc1ccccc1 ZINC000000810265 564034777 /nfs/dbraw/zinc/03/47/77/564034777.db2.gz WKBSWIILZSNFDE-SFHVURJKSA-N 1 0 327.424 3.543 50 0 EHAARO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cc1O ZINC000225424637 564046571 /nfs/dbraw/zinc/04/65/71/564046571.db2.gz IHJHWGUWYOBRFJ-PBHICJAKSA-N 1 0 327.424 3.835 50 0 EHAARO c1cc(CN2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)no1 ZINC000225514253 564047433 /nfs/dbraw/zinc/04/74/33/564047433.db2.gz BKUMQXBAVBZKRQ-UHFFFAOYSA-N 1 0 347.462 3.624 50 0 EHAARO CC[C@@H](C)[NH2+][C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014989478 564051176 /nfs/dbraw/zinc/05/11/76/564051176.db2.gz LBAWGNYBAXPYOM-NVXWUHKLSA-N 1 0 326.488 3.994 50 0 EHAARO C[NH+]1CCC2(CCN(C(=O)c3ccccc3-c3ccccc3)C2)CC1 ZINC000252480461 564053379 /nfs/dbraw/zinc/05/33/79/564053379.db2.gz CAPFDNDWQQSAMD-UHFFFAOYSA-N 1 0 334.463 3.912 50 0 EHAARO Cc1cc(C)c(CN2CC([N@H+]3CCCC[C@@H]3C)C2)c(-n2cccn2)c1 ZINC000252489451 564053464 /nfs/dbraw/zinc/05/34/64/564053464.db2.gz JRGCSROMCADJIA-SFHVURJKSA-N 1 0 338.499 3.548 50 0 EHAARO CC[C@H]([NH2+]Cc1ccnc(N)c1)c1cc(F)cc(Br)c1 ZINC000225616991 564057234 /nfs/dbraw/zinc/05/72/34/564057234.db2.gz SUJWYMZVMNGFAB-AWEZNQCLSA-N 1 0 338.224 3.806 50 0 EHAARO O=C(Nc1cc(F)cc(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043882060 564058459 /nfs/dbraw/zinc/05/84/59/564058459.db2.gz BHCWLTBTUTYZRY-UHFFFAOYSA-N 1 0 345.393 3.751 50 0 EHAARO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)c4cnccn4)CC3)c2c1 ZINC000184470664 564063308 /nfs/dbraw/zinc/06/33/08/564063308.db2.gz JGUITHCOPNRUST-AWEZNQCLSA-N 1 0 336.439 3.907 50 0 EHAARO Cc1cccc(C)c1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000084213306 564067407 /nfs/dbraw/zinc/06/74/07/564067407.db2.gz YGABAUGGGDHUCY-LJQANCHMSA-N 1 0 328.500 3.888 50 0 EHAARO Cn1cc(C[NH2+]C[C@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000084314217 564067738 /nfs/dbraw/zinc/06/77/38/564067738.db2.gz ZBRCLYJDWNJLFG-GOSISDBHSA-N 1 0 332.451 3.692 50 0 EHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000084689474 564069661 /nfs/dbraw/zinc/06/96/61/564069661.db2.gz UJOWPJBNOMZPGT-ZIFCJYIRSA-N 1 0 326.484 3.582 50 0 EHAARO C[S@@](=O)c1ccc(C[NH2+]CC2(Sc3ccccc3)CC2)cc1 ZINC000085322914 564072659 /nfs/dbraw/zinc/07/26/59/564072659.db2.gz YLGNSYCXFPMFPO-QFIPXVFZSA-N 1 0 331.506 3.839 50 0 EHAARO O=C(c1c(F)cccc1Cl)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575605510 564082377 /nfs/dbraw/zinc/08/23/77/564082377.db2.gz KLFMWUZDFSFCAR-CYBMUJFWSA-N 1 0 334.778 3.558 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@@H](C)[C@H]3COc4ccccc43)CC2)n1 ZINC000090845032 564086851 /nfs/dbraw/zinc/08/68/51/564086851.db2.gz BFFHPDGSQVCJEA-WMLDXEAASA-N 1 0 343.496 3.575 50 0 EHAARO CC[NH+](CC)CCCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000001771829 564087447 /nfs/dbraw/zinc/08/74/47/564087447.db2.gz FUCJALUTCOFZNY-UHFFFAOYSA-N 1 0 335.455 3.836 50 0 EHAARO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000241124174 564088269 /nfs/dbraw/zinc/08/82/69/564088269.db2.gz JGCWLSWSWIYKPC-KDOFPFPSSA-N 1 0 326.465 3.863 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)[C@H]1COc2ccccc21 ZINC000246510596 564089236 /nfs/dbraw/zinc/08/92/36/564089236.db2.gz UAKSUFWQJPDQSL-IONQCAEFSA-N 1 0 329.465 3.639 50 0 EHAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000426388543 564093572 /nfs/dbraw/zinc/09/35/72/564093572.db2.gz SDTWNASWBZFHHZ-MRXNPFEDSA-N 1 0 340.442 3.954 50 0 EHAARO CCN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2ccsc2)cc1 ZINC000426431126 564093775 /nfs/dbraw/zinc/09/37/75/564093775.db2.gz NNZONAVUWWRTTQ-OAHLLOKOSA-N 1 0 328.481 3.829 50 0 EHAARO COc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cc1F ZINC000006648802 564095307 /nfs/dbraw/zinc/09/53/07/564095307.db2.gz BQJQAROIJRUFGV-CQSZACIVSA-N 1 0 325.387 3.871 50 0 EHAARO COc1ccc(NC(=O)C2=CC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000064817974 564096485 /nfs/dbraw/zinc/09/64/85/564096485.db2.gz XMNCBGOVYZYFIE-UHFFFAOYSA-N 1 0 336.435 3.774 50 0 EHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000065140383 564101583 /nfs/dbraw/zinc/10/15/83/564101583.db2.gz JMGJKFSPPDAOHV-DNVCBOLYSA-N 1 0 333.435 3.733 50 0 EHAARO Cc1ccc(NC(=O)c2ccc3c(c2)ncn3CC[NH+]2CCCC2)cc1 ZINC000065255100 564103467 /nfs/dbraw/zinc/10/34/67/564103467.db2.gz QURBFFIGEGBPAI-UHFFFAOYSA-N 1 0 348.450 3.693 50 0 EHAARO C[C@@H](C[NH2+]C1CCC(O)(c2cccc(Cl)c2)CC1)Cn1ccnc1 ZINC000170081756 564105363 /nfs/dbraw/zinc/10/53/63/564105363.db2.gz DGONOUVGASOPPI-MNNVXMFVSA-N 1 0 347.890 3.593 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc2c1C ZINC000065418349 564105841 /nfs/dbraw/zinc/10/58/41/564105841.db2.gz OCODSQVWBQVXAO-UHFFFAOYSA-N 1 0 335.451 3.647 50 0 EHAARO CC[NH+]1CCN(c2ccc(Nc3ncnc4sccc43)cc2)CC1 ZINC000007273209 564106311 /nfs/dbraw/zinc/10/63/11/564106311.db2.gz JRCALHNGDQYRFS-UHFFFAOYSA-N 1 0 339.468 3.577 50 0 EHAARO CCC[C@H](C)[N@@H+]1Cc2cccc(NC(=O)Cn3nc(C)cc3C)c2C1 ZINC000065542730 564107330 /nfs/dbraw/zinc/10/73/30/564107330.db2.gz PGNSZHDOYSVCLW-HNNXBMFYSA-N 1 0 340.471 3.643 50 0 EHAARO O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000071824379 564111279 /nfs/dbraw/zinc/11/12/79/564111279.db2.gz SNJQLIJFWAEGJP-MOPGFXCFSA-N 1 0 340.492 3.586 50 0 EHAARO O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000071824382 564111295 /nfs/dbraw/zinc/11/12/95/564111295.db2.gz SNJQLIJFWAEGJP-RTBURBONSA-N 1 0 340.492 3.586 50 0 EHAARO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)sc1C ZINC000270890552 564114125 /nfs/dbraw/zinc/11/41/25/564114125.db2.gz DJKMOQRANFVLHR-UHFFFAOYSA-N 1 0 344.480 3.574 50 0 EHAARO O=C(Nc1cc(-c2ccco2)ccc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000076082066 564115434 /nfs/dbraw/zinc/11/54/34/564115434.db2.gz VAZKQPUYFPITFE-OAHLLOKOSA-N 1 0 343.402 3.788 50 0 EHAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000089947840 564115687 /nfs/dbraw/zinc/11/56/87/564115687.db2.gz HFCJJLFLFOGFOY-IGNZVWTISA-N 1 0 336.426 3.653 50 0 EHAARO CN(C)c1cccc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000170639531 564117643 /nfs/dbraw/zinc/11/76/43/564117643.db2.gz MZKOOSBXJOPPPJ-IBGZPJMESA-N 1 0 330.859 3.980 50 0 EHAARO COc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)ccc1C ZINC000252510709 564120044 /nfs/dbraw/zinc/12/00/44/564120044.db2.gz ZOTCZPBRZXBGAC-UHFFFAOYSA-N 1 0 338.451 3.854 50 0 EHAARO CCc1cccc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000252523088 564120431 /nfs/dbraw/zinc/12/04/31/564120431.db2.gz BWGGUKCAQCNBRS-UHFFFAOYSA-N 1 0 336.479 3.952 50 0 EHAARO C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1 ZINC000194207489 564120441 /nfs/dbraw/zinc/12/04/41/564120441.db2.gz SNIAQBVXRDQRMT-MRXNPFEDSA-N 1 0 340.442 3.824 50 0 EHAARO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194907575 564122566 /nfs/dbraw/zinc/12/25/66/564122566.db2.gz MAZFNPFBKIDMEF-LBPRGKRZSA-N 1 0 348.830 3.734 50 0 EHAARO [NH3+][C@@H](CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195543123 564123692 /nfs/dbraw/zinc/12/36/92/564123692.db2.gz UZWIDHAZAACBHN-RBUKOAKNSA-N 1 0 326.415 3.969 50 0 EHAARO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cccc(N2CCCC2)c1 ZINC000253369539 564130278 /nfs/dbraw/zinc/13/02/78/564130278.db2.gz DUYUSHANEKUVHP-UIFIKXQLSA-N 1 0 343.515 3.588 50 0 EHAARO C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000225462532 564134999 /nfs/dbraw/zinc/13/49/99/564134999.db2.gz RFOXQPREYPJCHC-AWEZNQCLSA-N 1 0 342.414 3.795 50 0 EHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000225472003 564135112 /nfs/dbraw/zinc/13/51/12/564135112.db2.gz HLAQTGXCTIMJCD-GWCFXTLKSA-N 1 0 349.887 3.559 50 0 EHAARO COc1cc(C[NH2+]Cc2cnc3ccsc3c2)cc(OC)c1OC ZINC000095437355 564140438 /nfs/dbraw/zinc/14/04/38/564140438.db2.gz UEZBDUWSZDKYHA-UHFFFAOYSA-N 1 0 344.436 3.612 50 0 EHAARO Cc1[nH]ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447624 564140541 /nfs/dbraw/zinc/14/05/41/564140541.db2.gz IABCQJMIUGTWTH-CXAGYDPISA-N 1 0 349.837 3.538 50 0 EHAARO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Cl)ccc3Cl)[C@@H]2C1 ZINC000095466077 564140988 /nfs/dbraw/zinc/14/09/88/564140988.db2.gz BRMDUIIHVCEWOR-IINYFYTJSA-N 1 0 328.243 3.551 50 0 EHAARO C[C@@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Br)s1 ZINC000095968106 564143104 /nfs/dbraw/zinc/14/31/04/564143104.db2.gz LHAWZDWMQFUVFL-VVVCHXIZSA-N 1 0 338.336 3.708 50 0 EHAARO C[C@H](CCc1cccn1C)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000095968616 564143183 /nfs/dbraw/zinc/14/31/83/564143183.db2.gz MQPAAUFQRLSRCG-HBFSDRIKSA-N 1 0 325.500 3.771 50 0 EHAARO CCc1noc(CC)c1C[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000095969150 564143333 /nfs/dbraw/zinc/14/33/33/564143333.db2.gz MIKCQJMNJRWPPG-UHFFFAOYSA-N 1 0 345.462 3.693 50 0 EHAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C12CCCC2 ZINC000095985049 564143878 /nfs/dbraw/zinc/14/38/78/564143878.db2.gz QSWUUCNZMSALJN-IBEHDNSVSA-N 1 0 327.559 3.693 50 0 EHAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)C3CC3)CC2)c1 ZINC000096183739 564145860 /nfs/dbraw/zinc/14/58/60/564145860.db2.gz IDYOLDUMPZHMCO-QFIPXVFZSA-N 1 0 348.490 3.947 50 0 EHAARO C[NH+](C)Cc1ccc(NC(=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000096414256 564147713 /nfs/dbraw/zinc/14/77/13/564147713.db2.gz ZDTOXNXRILRBCK-UHFFFAOYSA-N 1 0 341.436 3.646 50 0 EHAARO Cc1cc(C[NH2+][C@@H]2CCSc3ccccc32)ccc1S(C)(=O)=O ZINC000096479338 564148561 /nfs/dbraw/zinc/14/85/61/564148561.db2.gz HRTNCKWGYSTUMS-MRXNPFEDSA-N 1 0 347.505 3.725 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)CNc1c(C)cccc1C)c1ccco1 ZINC000096970128 564149044 /nfs/dbraw/zinc/14/90/44/564149044.db2.gz UOTFIGXXOZPBGP-QGZVFWFLSA-N 1 0 343.471 3.508 50 0 EHAARO C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CCOCC1 ZINC000097038062 564149215 /nfs/dbraw/zinc/14/92/15/564149215.db2.gz LMUDQKJMYZOEPW-BBWFWOEESA-N 1 0 332.488 3.523 50 0 EHAARO Cc1ccccc1N1CCC([NH+]2CCC(Cn3ccnc3)CC2)CC1 ZINC000670469764 564163585 /nfs/dbraw/zinc/16/35/85/564163585.db2.gz FTVCGIFBEQWZBP-UHFFFAOYSA-N 1 0 338.499 3.573 50 0 EHAARO CCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008714118 564166671 /nfs/dbraw/zinc/16/66/71/564166671.db2.gz WVNCSCZZFQRZFS-CYBMUJFWSA-N 1 0 342.439 3.800 50 0 EHAARO C[C@H](c1nnc(-c2ccccc2)o1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000069520429 564170133 /nfs/dbraw/zinc/17/01/33/564170133.db2.gz HFBFKKGHVPMYOT-MRXNPFEDSA-N 1 0 340.471 3.605 50 0 EHAARO Cc1ccsc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000069567370 564170543 /nfs/dbraw/zinc/17/05/43/564170543.db2.gz NZAZJFPXAVPNAO-UHFFFAOYSA-N 1 0 329.469 3.815 50 0 EHAARO COc1cccc(NC2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000069596593 564170833 /nfs/dbraw/zinc/17/08/33/564170833.db2.gz XPQADFAAEPYKKE-UHFFFAOYSA-N 1 0 346.393 3.541 50 0 EHAARO COCc1ccccc1NC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000069703197 564171626 /nfs/dbraw/zinc/17/16/26/564171626.db2.gz YWCWMHMFZHNKGH-GOSISDBHSA-N 1 0 345.487 3.705 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3sccc3C)cc2C)CC1 ZINC000009378689 564173169 /nfs/dbraw/zinc/17/31/69/564173169.db2.gz NGKNMVQEYDPFDI-UHFFFAOYSA-N 1 0 343.496 3.759 50 0 EHAARO c1cnn(C[C@H]2CCC[N@H+]2Cc2ccc(OCc3ccccn3)cc2)c1 ZINC000070039578 564173505 /nfs/dbraw/zinc/17/35/05/564173505.db2.gz DAMNKDPSAKOIIB-HXUWFJFHSA-N 1 0 348.450 3.522 50 0 EHAARO CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCO)cs2)cc1 ZINC000070951418 564174530 /nfs/dbraw/zinc/17/45/30/564174530.db2.gz OLTJEENOTNPBHP-KRWDZBQOSA-N 1 0 346.496 3.946 50 0 EHAARO Cn1cc(C[NH2+]Cc2ccc(F)c(Cl)c2)c(-c2cccnc2)n1 ZINC000071792631 564175308 /nfs/dbraw/zinc/17/53/08/564175308.db2.gz FHFSAPVIODFQQR-UHFFFAOYSA-N 1 0 330.794 3.564 50 0 EHAARO Clc1cccc2c1CC[C@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000071837164 564175804 /nfs/dbraw/zinc/17/58/04/564175804.db2.gz YBZXEQSYXYNXKH-QGZVFWFLSA-N 1 0 328.847 3.507 50 0 EHAARO C[NH+](C)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 ZINC000071846629 564175971 /nfs/dbraw/zinc/17/59/71/564175971.db2.gz WERYHHYNEABAKQ-UHFFFAOYSA-N 1 0 344.430 3.571 50 0 EHAARO CCCOc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000169781521 1032646159 /nfs/dbraw/zinc/64/61/59/1032646159.db2.gz PTLHIXQHGMBLNQ-HXUWFJFHSA-N 1 0 344.499 3.556 50 0 EHAARO C[NH+]1CCC(n2[nH]cc3nc(-c4ccc5ccccc5c4)nc2-3)CC1 ZINC000020536193 1018180057 /nfs/dbraw/zinc/18/00/57/1018180057.db2.gz LQKOUUUEAOKUTJ-UHFFFAOYSA-N 1 0 331.423 3.846 50 0 EHAARO COc1ccc([C@@H]2[NH2+]C(C)(C)Cc3cc(OC)c(OC)cc32)cc1 ZINC000022171361 1018242686 /nfs/dbraw/zinc/24/26/86/1018242686.db2.gz KHOMHKAECWZXKI-IBGZPJMESA-N 1 0 327.424 3.726 50 0 EHAARO C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](c2ccncc2)C1 ZINC000289385848 1018374357 /nfs/dbraw/zinc/37/43/57/1018374357.db2.gz QLKPGMKLQBJIKP-HOCLYGCPSA-N 1 0 334.423 3.671 50 0 EHAARO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000261781133 1020289807 /nfs/dbraw/zinc/28/98/07/1020289807.db2.gz XVWQJXXWSFJQCV-UHFFFAOYSA-N 1 0 341.377 3.701 50 0 EHAARO COc1ccc([C@H](CNC(=O)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000014119311 1024479873 /nfs/dbraw/zinc/47/98/73/1024479873.db2.gz ALRSFTSIEKZFDW-IBGZPJMESA-N 1 0 330.472 3.529 50 0 EHAARO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000194945807 1035229099 /nfs/dbraw/zinc/22/90/99/1035229099.db2.gz MSNVXGFDZXBOGH-FQEVSTJZSA-N 1 0 343.471 3.750 50 0 EHAARO Fc1ccc2c(c1)[C@H]([NH2+]C1CCC(Oc3cnccn3)CC1)CC2 ZINC000190159527 1038681249 /nfs/dbraw/zinc/68/12/49/1038681249.db2.gz VDFWQMQBYIEORY-LEOMRAHMSA-N 1 0 327.403 3.583 50 0 EHAARO CCc1cc(C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)on1 ZINC000925126870 1040318830 /nfs/dbraw/zinc/31/88/30/1040318830.db2.gz CYPCHQGBWVQZIG-UHFFFAOYSA-N 1 0 349.475 3.506 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc2c(c1)COC2 ZINC000358234491 1129047175 /nfs/dbraw/zinc/04/71/75/1129047175.db2.gz GEAMOTRMUQLBDF-HNNXBMFYSA-N 1 0 333.435 3.968 50 0 EHAARO O=C1N(CCCc2ccccc2)CCC[C@]12CCN(c1cc[nH+]cc1)C2 ZINC000011879139 1129112112 /nfs/dbraw/zinc/11/21/12/1129112112.db2.gz XMGBXEQLBQZGAL-JOCHJYFZSA-N 1 0 349.478 3.533 50 0 EHAARO COc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000824662008 1131213707 /nfs/dbraw/zinc/21/37/07/1131213707.db2.gz YYHUVKKJGVPIER-UHFFFAOYSA-N 1 0 338.451 3.862 50 0 EHAARO Cc1cc(NC(=O)CCC[NH+]2CCCC2)ccc1NC(=O)C(C)(C)C ZINC000828046590 1131415780 /nfs/dbraw/zinc/41/57/80/1131415780.db2.gz UIGYMBZVXKWKOF-UHFFFAOYSA-N 1 0 345.487 3.794 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)c2ccccc2F)CC1 ZINC000581787986 1132356417 /nfs/dbraw/zinc/35/64/17/1132356417.db2.gz MYMXDCVSGFUFGD-QGZVFWFLSA-N 1 0 332.463 3.942 50 0 EHAARO Fc1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)[C@@H]3C2)cc1F ZINC000581798857 1132361652 /nfs/dbraw/zinc/36/16/52/1132361652.db2.gz ZHFOKFUCTILSOY-YLJYHZDGSA-N 1 0 328.406 3.671 50 0 EHAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000581807484 1132369781 /nfs/dbraw/zinc/36/97/81/1132369781.db2.gz HZGQHOCGWRIRHP-LJQANCHMSA-N 1 0 349.478 3.964 50 0 EHAARO CC[C@H](C)[NH2+]Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000585088483 1136989245 /nfs/dbraw/zinc/98/92/45/1136989245.db2.gz QOORZTWGHQOBBY-ZDUSSCGKSA-N 1 0 337.464 3.677 50 0 EHAARO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000585117502 1137010377 /nfs/dbraw/zinc/01/03/77/1137010377.db2.gz HZGARZWPIAEOBY-JAOIYPECSA-N 1 0 340.448 3.990 50 0 EHAARO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000585117504 1137010380 /nfs/dbraw/zinc/01/03/80/1137010380.db2.gz HZGARZWPIAEOBY-PWDLFRTRSA-N 1 0 340.448 3.990 50 0 EHAARO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(-c2cc[nH]n2)s1)C1CC1 ZINC000952964742 1137483857 /nfs/dbraw/zinc/48/38/57/1137483857.db2.gz DJLBRGPZVSIHCB-UHFFFAOYSA-N 1 0 341.484 3.653 50 0 EHAARO CC(C)c1nccn1CCC[NH2+]Cc1cc(F)ccc1-n1cccn1 ZINC000952968216 1137485046 /nfs/dbraw/zinc/48/50/46/1137485046.db2.gz KQLAWRLAZBERGU-UHFFFAOYSA-N 1 0 341.434 3.511 50 0 EHAARO COc1cccc2ccc(C[N@H+](C)CCCc3c(C)n[nH]c3C)nc21 ZINC000952982754 1137485266 /nfs/dbraw/zinc/48/52/66/1137485266.db2.gz QRZVYUCIFPZOCI-UHFFFAOYSA-N 1 0 338.455 3.648 50 0 EHAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C/c1cc2ccccc2o1 ZINC000107486007 1139751338 /nfs/dbraw/zinc/75/13/38/1139751338.db2.gz FYYXPJOZBQUVEH-MTQIJDFFSA-N 1 0 326.440 3.683 50 0 EHAARO Cn1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3s2)cc1=O ZINC000052076082 214116849 /nfs/dbraw/zinc/11/68/49/214116849.db2.gz SIEGHKRZUAZTDB-INIZCTEOSA-N 1 0 339.464 3.722 50 0 EHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000054223140 214225229 /nfs/dbraw/zinc/22/52/29/214225229.db2.gz JMGJKFSPPDAOHV-BEFAXECRSA-N 1 0 333.435 3.733 50 0 EHAARO Cc1ccsc1C[N@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000055109121 214275413 /nfs/dbraw/zinc/27/54/13/214275413.db2.gz NOVQHNKXJJYJSH-UHFFFAOYSA-N 1 0 326.469 3.741 50 0 EHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc3[nH]ccc3c2)s1 ZINC000055182963 214284614 /nfs/dbraw/zinc/28/46/14/214284614.db2.gz HFBVBLZOCZACHM-UHFFFAOYSA-N 1 0 341.480 3.742 50 0 EHAARO COCc1cc(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)ccc1OC ZINC000055309188 214304978 /nfs/dbraw/zinc/30/49/78/214304978.db2.gz DLQJNIHBZUTURM-MRXNPFEDSA-N 1 0 328.456 3.608 50 0 EHAARO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055360072 214311171 /nfs/dbraw/zinc/31/11/71/214311171.db2.gz UGQVILPQHXJEBL-AWEZNQCLSA-N 1 0 328.412 3.620 50 0 EHAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cccc(-n2cccn2)c1 ZINC000055358218 214311630 /nfs/dbraw/zinc/31/16/30/214311630.db2.gz IPUIEZFKXCRETG-UHFFFAOYSA-N 1 0 335.451 3.829 50 0 EHAARO CCCN(Cc1ccc(OC)cc1)C(=O)CCC1CC[NH+](C)CC1 ZINC000055405104 214319533 /nfs/dbraw/zinc/31/95/33/214319533.db2.gz JMGRBZZVIAGDSW-UHFFFAOYSA-N 1 0 332.488 3.556 50 0 EHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000056168376 214362772 /nfs/dbraw/zinc/36/27/72/214362772.db2.gz NJJLBHFGSABEQL-QAPCUYQASA-N 1 0 333.435 3.733 50 0 EHAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccccc1 ZINC000004413557 210188967 /nfs/dbraw/zinc/18/89/67/210188967.db2.gz XVUCNUAKANZQRO-UHFFFAOYSA-N 1 0 334.419 3.959 50 0 EHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cccs3)sc2c1 ZINC000004359094 210179970 /nfs/dbraw/zinc/17/99/70/210179970.db2.gz NIBRIUVZLCARQA-UHFFFAOYSA-N 1 0 345.493 3.875 50 0 EHAARO COc1ccccc1NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000065494005 214932472 /nfs/dbraw/zinc/93/24/72/214932472.db2.gz RLXWAOQVJAPVJP-QGZVFWFLSA-N 1 0 345.487 3.671 50 0 EHAARO CN(C)c1ccc([C@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000004052753 210108486 /nfs/dbraw/zinc/10/84/86/210108486.db2.gz RBXMSAUXWFTAFL-RTBURBONSA-N 1 0 342.870 3.934 50 0 EHAARO O=C(COc1ccc(F)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003422715 210033783 /nfs/dbraw/zinc/03/37/83/210033783.db2.gz FIOFUFDVGOZDQA-UHFFFAOYSA-N 1 0 348.462 3.510 50 0 EHAARO CC[NH+]1CCC(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 ZINC000067682942 215184608 /nfs/dbraw/zinc/18/46/08/215184608.db2.gz UOKPOMOLKOMYPQ-UHFFFAOYSA-N 1 0 339.483 3.508 50 0 EHAARO Cc1cc(C[C@H](C)[NH2+]Cc2cnc(-c3ccccc3C)s2)[nH]n1 ZINC000067871412 215236592 /nfs/dbraw/zinc/23/65/92/215236592.db2.gz SFGHNNDNTULFMH-ZDUSSCGKSA-N 1 0 326.469 3.871 50 0 EHAARO Ic1ccc(OCCC[NH2+]C2CCCC2)cc1 ZINC000002845069 209927068 /nfs/dbraw/zinc/92/70/68/209927068.db2.gz SIRGXLZNJRYNFN-UHFFFAOYSA-N 1 0 345.224 3.592 50 0 EHAARO CC(=O)NCC[C@H]1CCC[N@H+](Cc2oc3ccc(C)cc3c2C)C1 ZINC000067895851 215243338 /nfs/dbraw/zinc/24/33/38/215243338.db2.gz SBEDCYFIDKSDDQ-QGZVFWFLSA-N 1 0 328.456 3.788 50 0 EHAARO CC[NH+]1CCC(NC(=O)CCc2cccc(OC3CCCC3)c2)CC1 ZINC000069371676 215391246 /nfs/dbraw/zinc/39/12/46/215391246.db2.gz HJQUOAVCVZLODW-UHFFFAOYSA-N 1 0 344.499 3.541 50 0 EHAARO C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC000040071006 213257299 /nfs/dbraw/zinc/25/72/99/213257299.db2.gz DUYNJFUHVTXABV-FLGAHRCVSA-N 1 0 344.480 3.897 50 0 EHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC000037279032 213137724 /nfs/dbraw/zinc/13/77/24/213137724.db2.gz SUMOJKTURUEDRC-UHFFFAOYSA-N 1 0 342.414 3.663 50 0 EHAARO c1nc2sc3c(c2c(N[C@H]2CC[N@@H+]4CCCC[C@H]24)n1)CCCCC3 ZINC000036390233 213094347 /nfs/dbraw/zinc/09/43/47/213094347.db2.gz GVFSWYXZKIPEJN-LSDHHAIUSA-N 1 0 342.512 3.999 50 0 EHAARO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)C)cc1 ZINC000036101954 213066352 /nfs/dbraw/zinc/06/63/52/213066352.db2.gz ZCFCKPRRPBTBSM-NRFANRHFSA-N 1 0 345.458 3.922 50 0 EHAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@@H](O)COCc1ccco1 ZINC000036096662 213063880 /nfs/dbraw/zinc/06/38/80/213063880.db2.gz YOSCAQNJUITBFR-MRXNPFEDSA-N 1 0 337.485 3.767 50 0 EHAARO O=C(Nc1ccc2scnc2c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000187986721 236371667 /nfs/dbraw/zinc/37/16/67/236371667.db2.gz YAEKSXBMPULBOK-CQSZACIVSA-N 1 0 344.484 3.636 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1OC)c1ccsc1 ZINC000031987835 212782662 /nfs/dbraw/zinc/78/26/62/212782662.db2.gz JECHPDARXMMTBM-INIZCTEOSA-N 1 0 332.469 3.570 50 0 EHAARO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(CNC(=O)O4)CC3)c2)o1 ZINC000072130815 216020941 /nfs/dbraw/zinc/02/09/41/216020941.db2.gz GXRJKMGTYDDFBN-HXUWFJFHSA-N 1 0 340.423 3.720 50 0 EHAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccc(O)cc1Cl)CC2 ZINC000072171147 216062074 /nfs/dbraw/zinc/06/20/74/216062074.db2.gz NARFEUZKUDPAOS-UHFFFAOYSA-N 1 0 342.826 3.532 50 0 EHAARO Cc1nc[nH]c1CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072423273 216211753 /nfs/dbraw/zinc/21/17/53/216211753.db2.gz BKLVWTSGPHKXOA-OAQYLSRUSA-N 1 0 338.499 3.596 50 0 EHAARO Cc1nc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c2ccccn12 ZINC000072432046 216224794 /nfs/dbraw/zinc/22/47/94/216224794.db2.gz QMXQDBYRDYLBOW-INIZCTEOSA-N 1 0 345.450 3.899 50 0 EHAARO CCN1CCC[C@H]1C[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000025460675 212482878 /nfs/dbraw/zinc/48/28/78/212482878.db2.gz ILZOPPZWTNDVJP-FQEVSTJZSA-N 1 0 349.563 3.554 50 0 EHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1F ZINC000023128056 212351646 /nfs/dbraw/zinc/35/16/46/212351646.db2.gz NBJBLRMYQGIVSM-UHFFFAOYSA-N 1 0 332.444 3.529 50 0 EHAARO CC(C)[NH+]1CCC(CNC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000023013896 212341712 /nfs/dbraw/zinc/34/17/12/212341712.db2.gz SAPCSEYWFYAMTO-UHFFFAOYSA-N 1 0 328.378 3.556 50 0 EHAARO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccccc1 ZINC000022075719 212276366 /nfs/dbraw/zinc/27/63/66/212276366.db2.gz BVJJQBWNECKXMQ-UHFFFAOYSA-N 1 0 348.874 3.579 50 0 EHAARO Cc1cccc(CN2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)n1 ZINC000215501898 241129186 /nfs/dbraw/zinc/12/91/86/241129186.db2.gz IDJVQDUEUWMSEV-UHFFFAOYSA-N 1 0 338.842 3.992 50 0 EHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC000021720962 212244973 /nfs/dbraw/zinc/24/49/73/212244973.db2.gz XRXLJBZYGHCIQO-OAHLLOKOSA-N 1 0 330.428 3.900 50 0 EHAARO COc1cc(F)c([C@H](C)[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)cc1OC ZINC000230219161 242254468 /nfs/dbraw/zinc/25/44/68/242254468.db2.gz VMTITDZYKZVXLJ-ZAGRPGIDSA-N 1 0 325.424 3.553 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1F ZINC000237189015 242520513 /nfs/dbraw/zinc/52/05/13/242520513.db2.gz JKYGPFXYUPIRQC-LLVKDONJSA-N 1 0 334.357 3.512 50 0 EHAARO O=C(c1ccccc1)c1cc[n+](CCOc2ccc(Cl)cc2)cc1 ZINC000021224256 212216673 /nfs/dbraw/zinc/21/66/73/212216673.db2.gz DTQOIFVRJXNSIR-UHFFFAOYSA-N 1 0 338.814 3.938 50 0 EHAARO CC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021170189 212214446 /nfs/dbraw/zinc/21/44/46/212214446.db2.gz KFESWWHZXAIWTH-SFTDATJTSA-N 1 0 343.442 3.539 50 0 EHAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000021102262 212207592 /nfs/dbraw/zinc/20/75/92/212207592.db2.gz KOGNHVDFRGLWSE-UHFFFAOYSA-N 1 0 345.443 3.616 50 0 EHAARO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000021102284 212206932 /nfs/dbraw/zinc/20/69/32/212206932.db2.gz BNNCLFZTKXGWRA-UHFFFAOYSA-N 1 0 341.480 3.785 50 0 EHAARO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000243892629 243029408 /nfs/dbraw/zinc/02/94/08/243029408.db2.gz AJTFBCHQARYMQF-CQSZACIVSA-N 1 0 340.402 3.642 50 0 EHAARO [NH3+][C@H]1C[C@H](c2cc(NCCCCc3ccccc3)nc(C3CC3)n2)C1 ZINC000244691021 243057006 /nfs/dbraw/zinc/05/70/06/243057006.db2.gz JBBVBKAHFXOTPN-IYARVYRRSA-N 1 0 336.483 3.994 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cnn1C ZINC000244748496 243072031 /nfs/dbraw/zinc/07/20/31/243072031.db2.gz OIQKKUBGSYBFDP-CQSZACIVSA-N 1 0 326.469 3.718 50 0 EHAARO c1cc(-c2cccc(-c3ccn(CCC[NH+]4CCOCC4)n3)c2)co1 ZINC000020638110 212158414 /nfs/dbraw/zinc/15/84/14/212158414.db2.gz IOBYMDBTOSGULZ-UHFFFAOYSA-N 1 0 337.423 3.532 50 0 EHAARO Cc1cccc(N2CCC(N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)c1C ZINC000020599848 212151095 /nfs/dbraw/zinc/15/10/95/212151095.db2.gz DMDYETDBZAERDC-OAQYLSRUSA-N 1 0 341.543 3.832 50 0 EHAARO COc1ccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)cc1 ZINC000020208655 212112630 /nfs/dbraw/zinc/11/26/30/212112630.db2.gz FZJOQEKJGJHOHW-CQSZACIVSA-N 1 0 334.423 3.706 50 0 EHAARO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000019831461 212072765 /nfs/dbraw/zinc/07/27/65/212072765.db2.gz PXFWIVXKILQHQO-UHFFFAOYSA-N 1 0 348.490 3.905 50 0 EHAARO Clc1ccccc1C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000019335140 212017793 /nfs/dbraw/zinc/01/77/93/212017793.db2.gz LWMRDBMBHAESEF-UHFFFAOYSA-N 1 0 338.842 3.657 50 0 EHAARO COCc1ccc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)o1 ZINC000019223062 212005917 /nfs/dbraw/zinc/00/59/17/212005917.db2.gz LVPKYLJFCYRSQB-SFHVURJKSA-N 1 0 328.456 3.522 50 0 EHAARO Cc1ccccc1NC(=O)CC[NH2+]C1(c2nccs2)CCCC1 ZINC000083215306 217533337 /nfs/dbraw/zinc/53/33/37/217533337.db2.gz GQERLNHRLDWEFH-UHFFFAOYSA-N 1 0 329.469 3.839 50 0 EHAARO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCC[C@H]1CO ZINC000012431445 211378682 /nfs/dbraw/zinc/37/86/82/211378682.db2.gz VRXFANAFFMYENO-AWEZNQCLSA-N 1 0 340.345 3.626 50 0 EHAARO Cc1ccc(Oc2ncccc2C[NH2+]C2CCOCC2)c(F)c1F ZINC000012460151 211388503 /nfs/dbraw/zinc/38/85/03/211388503.db2.gz QSAVKVAJXZJKOQ-UHFFFAOYSA-N 1 0 334.366 3.729 50 0 EHAARO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc2ccccc2o1 ZINC000089904649 217878670 /nfs/dbraw/zinc/87/86/70/217878670.db2.gz KDFICFLIEHHRRR-CQSZACIVSA-N 1 0 338.407 3.981 50 0 EHAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1C ZINC000012308496 211341302 /nfs/dbraw/zinc/34/13/02/211341302.db2.gz QYYQDOQWLOYMQP-GOSISDBHSA-N 1 0 338.451 3.802 50 0 EHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([N@H+](C)CC(C)C)C3 ZINC000012212171 211322082 /nfs/dbraw/zinc/32/20/82/211322082.db2.gz GBLBZCZYFMWXBA-CQSZACIVSA-N 1 0 347.528 3.703 50 0 EHAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C(C)C)C1 ZINC000012208337 211320185 /nfs/dbraw/zinc/32/01/85/211320185.db2.gz KAVCUINNWJFGAH-GOSISDBHSA-N 1 0 325.399 3.561 50 0 EHAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1C1CCC1 ZINC000011874243 211262785 /nfs/dbraw/zinc/26/27/85/211262785.db2.gz KZBHQSFMFWWKRX-GOSISDBHSA-N 1 0 337.423 3.829 50 0 EHAARO Cc1ccc(Cc2ccccc2C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc1 ZINC000091535651 218018915 /nfs/dbraw/zinc/01/89/15/218018915.db2.gz CKTLIHMLIATPLN-PZJWPPBQSA-N 1 0 348.490 3.752 50 0 EHAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 ZINC000091574413 218023338 /nfs/dbraw/zinc/02/33/38/218023338.db2.gz VXRXJQBOBYVFGK-UHFFFAOYSA-N 1 0 326.484 3.610 50 0 EHAARO CN(C)c1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccccc1-c1ccco1 ZINC000011843677 211256160 /nfs/dbraw/zinc/25/61/60/211256160.db2.gz LNOTVZIDPCDXTO-GOSISDBHSA-N 1 0 348.450 3.970 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000011838600 211254237 /nfs/dbraw/zinc/25/42/37/211254237.db2.gz KLTRJSCJFDXXAA-VREQBZOKSA-N 1 0 326.484 3.776 50 0 EHAARO Cc1nc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc(N)[nH+]1 ZINC000091656688 218041544 /nfs/dbraw/zinc/04/15/44/218041544.db2.gz WDYABRIWZCCZFM-FQEVSTJZSA-N 1 0 340.471 3.696 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCc1cccc(Cl)c1 ZINC000010339714 211166807 /nfs/dbraw/zinc/16/68/07/211166807.db2.gz RAYPUERLVDGVQH-GOSISDBHSA-N 1 0 328.843 3.793 50 0 EHAARO Cc1ccc([C@H]([NH2+]Cc2cc(=O)n3cccc(C)c3n2)C2CC2)cc1 ZINC000010028302 211142950 /nfs/dbraw/zinc/14/29/50/211142950.db2.gz WQCUAHWBMUUVPU-FQEVSTJZSA-N 1 0 333.435 3.552 50 0 EHAARO c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000093506803 218229254 /nfs/dbraw/zinc/22/92/54/218229254.db2.gz UZIRZIOHCYDMEX-CTNGQTDRSA-N 1 0 338.451 3.662 50 0 EHAARO Cc1nnc([C@@H](C)N(C)CC2(C)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000095351045 218284641 /nfs/dbraw/zinc/28/46/41/218284641.db2.gz IFNMTJOUHBFYFN-MRXNPFEDSA-N 1 0 342.487 3.673 50 0 EHAARO Cc1ccccc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095353700 218286806 /nfs/dbraw/zinc/28/68/06/218286806.db2.gz DIODYYJASLHEDT-OAQYLSRUSA-N 1 0 348.490 3.976 50 0 EHAARO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1cccc(O)c1 ZINC000009089886 211039156 /nfs/dbraw/zinc/03/91/56/211039156.db2.gz NYNKGJMRWKVYJQ-GOSISDBHSA-N 1 0 349.390 3.572 50 0 EHAARO CC[NH+]1CCC(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000095367916 218299884 /nfs/dbraw/zinc/29/98/84/218299884.db2.gz LSPGFAXVLPNKNE-UHFFFAOYSA-N 1 0 343.298 3.774 50 0 EHAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CCCO2 ZINC000095420071 218360739 /nfs/dbraw/zinc/36/07/39/218360739.db2.gz OONWKPLACMODRE-IBGZPJMESA-N 1 0 337.467 3.994 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000095420975 218362328 /nfs/dbraw/zinc/36/23/28/218362328.db2.gz SKTWZGKFISTAGW-GFCCVEGCSA-N 1 0 336.357 3.916 50 0 EHAARO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000095421702 218363901 /nfs/dbraw/zinc/36/39/01/218363901.db2.gz XJZGQYZAWWRRBD-JOCHJYFZSA-N 1 0 348.490 3.747 50 0 EHAARO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000095422483 218365037 /nfs/dbraw/zinc/36/50/37/218365037.db2.gz HFWBNQGZRAPEAE-MAUKXSAKSA-N 1 0 346.496 3.841 50 0 EHAARO O=C(c1ccco1)N1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000096476563 218853300 /nfs/dbraw/zinc/85/33/00/218853300.db2.gz VIWNYINLWVXVRX-HNNXBMFYSA-N 1 0 330.453 3.613 50 0 EHAARO COc1ccc(CC[C@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)cc1 ZINC000004989439 210350617 /nfs/dbraw/zinc/35/06/17/210350617.db2.gz OBPUITQZJORPDV-HNNXBMFYSA-N 1 0 329.440 3.823 50 0 EHAARO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004986166 210350030 /nfs/dbraw/zinc/35/00/30/210350030.db2.gz FLXMUTOOIDLZEM-GFCCVEGCSA-N 1 0 338.879 3.533 50 0 EHAARO Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000097233907 219001350 /nfs/dbraw/zinc/00/13/50/219001350.db2.gz FHIODAQWAJXSJX-KBPBESRZSA-N 1 0 339.505 3.577 50 0 EHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1 ZINC000097532565 219034773 /nfs/dbraw/zinc/03/47/73/219034773.db2.gz LYMKGADMZOUSRN-SFHVURJKSA-N 1 0 338.411 3.514 50 0 EHAARO CCc1noc([C@@H](C)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000328593553 258043748 /nfs/dbraw/zinc/04/37/48/258043748.db2.gz IHIJGEMPXNATMJ-CABCVRRESA-N 1 0 348.516 3.517 50 0 EHAARO CN(C[C@@H]1CC[N@H+](C)C1(C)C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000299767851 258081929 /nfs/dbraw/zinc/08/19/29/258081929.db2.gz WGSJGXVLMSXCSF-AWEZNQCLSA-N 1 0 328.378 3.508 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CC1 ZINC000000197052 135646931 /nfs/dbraw/zinc/64/69/31/135646931.db2.gz VOIHGAVMVPVGTC-RTWAWAEBSA-N 1 0 349.478 3.571 50 0 EHAARO CC(C)c1cc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)no1 ZINC000123247914 222242151 /nfs/dbraw/zinc/24/21/51/222242151.db2.gz NEDPESVUNPOVNB-INIZCTEOSA-N 1 0 341.455 3.535 50 0 EHAARO CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216104619 536456392 /nfs/dbraw/zinc/45/63/92/536456392.db2.gz VNNKANAHIAXOPG-UHFFFAOYSA-N 1 0 340.515 3.935 50 0 EHAARO C[NH+](C)Cc1cccc(C(=O)Nc2cc(-c3ccccc3F)on2)c1 ZINC000225735018 536028541 /nfs/dbraw/zinc/02/85/41/536028541.db2.gz LUQDZVZRSQIRRI-UHFFFAOYSA-N 1 0 339.370 3.795 50 0 EHAARO CS[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000089314101 564089627 /nfs/dbraw/zinc/08/96/27/564089627.db2.gz RLDNKEMOGWCJJY-QWHCGFSZSA-N 1 0 348.299 3.503 50 0 EHAARO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000000250491 563266867 /nfs/dbraw/zinc/26/68/67/563266867.db2.gz AQTPJCPHKJCIRX-HXUWFJFHSA-N 1 0 325.452 3.639 50 0 EHAARO COc1ccccc1N1CC[NH+](Cc2cc(C)c(OC)cc2C)CC1 ZINC000000292401 563273939 /nfs/dbraw/zinc/27/39/39/563273939.db2.gz VEFIWLFBPZLVOO-UHFFFAOYSA-N 1 0 340.467 3.643 50 0 EHAARO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cnn(C)c3)CC2)cc1Cl ZINC000584903545 563421738 /nfs/dbraw/zinc/42/17/38/563421738.db2.gz LSIWTFUHPDURDD-AWEZNQCLSA-N 1 0 332.879 3.702 50 0 EHAARO COc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)c2ccccc12 ZINC000002739240 563607856 /nfs/dbraw/zinc/60/78/56/563607856.db2.gz FQXPOPXAZDZLRB-UHFFFAOYSA-N 1 0 335.403 3.909 50 0 EHAARO O[C@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2 ZINC000002966409 563624365 /nfs/dbraw/zinc/62/43/65/563624365.db2.gz MFGOXTISATWVBV-IBGZPJMESA-N 1 0 345.825 3.739 50 0 EHAARO Cc1n(C)c2ccccc2[n+]1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000012574900 563663411 /nfs/dbraw/zinc/66/34/11/563663411.db2.gz XLKXIPKNJDSPGO-UHFFFAOYSA-N 1 0 334.226 3.964 50 0 EHAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000012588277 563664290 /nfs/dbraw/zinc/66/42/90/563664290.db2.gz GWESYNIWBKCHQE-HNNXBMFYSA-N 1 0 335.835 3.781 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)c1 ZINC000012597479 563664989 /nfs/dbraw/zinc/66/49/89/563664989.db2.gz JNFVETBZQSKZGV-QFIPXVFZSA-N 1 0 339.479 3.821 50 0 EHAARO CCCCC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717652 563715728 /nfs/dbraw/zinc/71/57/28/563715728.db2.gz IIDFPZWZKYTUKG-UHFFFAOYSA-N 1 0 337.427 3.734 50 0 EHAARO O=C(Nc1nccs1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000013722865 563717218 /nfs/dbraw/zinc/71/72/18/563717218.db2.gz YJTQZTZXWIWMAB-UHFFFAOYSA-N 1 0 349.459 3.803 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2cc(C(C)=O)ccc2OC)cc1F ZINC000032806019 563740869 /nfs/dbraw/zinc/74/08/69/563740869.db2.gz LEJHESMGHRLDJS-GFCCVEGCSA-N 1 0 331.387 3.896 50 0 EHAARO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H]3CCc4ccccc43)nc(=O)c2c1C ZINC000014158749 563745648 /nfs/dbraw/zinc/74/56/48/563745648.db2.gz UANIRZWBPZCKLM-IAQYHMDHSA-N 1 0 339.464 3.940 50 0 EHAARO COc1cc2ccccc2cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000014199847 563750029 /nfs/dbraw/zinc/75/00/29/563750029.db2.gz MEIGEYRKHZJZPC-UHFFFAOYSA-N 1 0 328.456 3.697 50 0 EHAARO CCc1ccc2c(c1)sc(C(=O)NC1CC[NH+](C)CC1)c2Cl ZINC000016603786 563816665 /nfs/dbraw/zinc/81/66/65/563816665.db2.gz OLIJTUGUKNKOPL-UHFFFAOYSA-N 1 0 336.888 3.941 50 0 EHAARO COc1cc2ccccc2cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000016695079 563821104 /nfs/dbraw/zinc/82/11/04/563821104.db2.gz NNZRDIJCAGYBNE-UHFFFAOYSA-N 1 0 340.467 3.843 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)N1CCCc2ccccc21)c1cccs1 ZINC000043127352 563846733 /nfs/dbraw/zinc/84/67/33/563846733.db2.gz SOHHPTBETOPXTL-MRXNPFEDSA-N 1 0 329.469 3.513 50 0 EHAARO COc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1Cl ZINC000043331814 563864032 /nfs/dbraw/zinc/86/40/32/563864032.db2.gz QMSQIDCYOPYVON-UHFFFAOYSA-N 1 0 347.846 3.732 50 0 EHAARO CN(C(=O)c1ccc(-c2ccc(F)cc2)cc1F)C1CC[NH+](C)CC1 ZINC000069879972 563867158 /nfs/dbraw/zinc/86/71/58/563867158.db2.gz CETPJZKMYLJWGK-UHFFFAOYSA-N 1 0 344.405 3.798 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccsc1 ZINC000025329794 563883346 /nfs/dbraw/zinc/88/33/46/563883346.db2.gz SAUDMMPNJLYVHV-SFHVURJKSA-N 1 0 341.480 3.581 50 0 EHAARO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000025356156 563883749 /nfs/dbraw/zinc/88/37/49/563883749.db2.gz NVFZKESOVFLUPR-HNNXBMFYSA-N 1 0 337.423 3.740 50 0 EHAARO c1ccc(OCc2ccncc2)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000027217172 563894867 /nfs/dbraw/zinc/89/48/67/563894867.db2.gz XBMPRNSSCSEERC-UHFFFAOYSA-N 1 0 348.402 3.679 50 0 EHAARO COc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027663919 563898540 /nfs/dbraw/zinc/89/85/40/563898540.db2.gz KAWRGXJUPRJTLP-QGZVFWFLSA-N 1 0 344.480 3.714 50 0 EHAARO C[N@H+](CC(=O)Nc1cccc2ncccc21)[C@@H]1CCc2ccccc21 ZINC000029489429 563906713 /nfs/dbraw/zinc/90/67/13/563906713.db2.gz HIWYBCXAUNFPFL-HXUWFJFHSA-N 1 0 331.419 3.793 50 0 EHAARO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCc2ccccc21 ZINC000029488679 563906740 /nfs/dbraw/zinc/90/67/40/563906740.db2.gz ZDHHMCYHEJZULS-HXUWFJFHSA-N 1 0 348.446 3.682 50 0 EHAARO C[N@H+](CC(=O)Nc1cccc2ncccc21)[C@H]1CCc2ccccc21 ZINC000029489432 563906850 /nfs/dbraw/zinc/90/68/50/563906850.db2.gz HIWYBCXAUNFPFL-FQEVSTJZSA-N 1 0 331.419 3.793 50 0 EHAARO Brc1cccc(-c2ccc(CN3CC[NH2+]CC3)s2)c1 ZINC000032627062 563914165 /nfs/dbraw/zinc/91/41/65/563914165.db2.gz HXAXVUDGLWEFNX-UHFFFAOYSA-N 1 0 337.286 3.583 50 0 EHAARO Cc1ncc(C[N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)s1 ZINC000076060325 563921484 /nfs/dbraw/zinc/92/14/84/563921484.db2.gz GMFQJTWIUIBIMJ-JTQLQIEISA-N 1 0 330.379 3.573 50 0 EHAARO Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1C(F)(F)F ZINC000044676322 563926524 /nfs/dbraw/zinc/92/65/24/563926524.db2.gz YTOHIJQMRSJTGE-UHFFFAOYSA-N 1 0 335.373 3.610 50 0 EHAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Cl)cc1F ZINC000058162264 563938509 /nfs/dbraw/zinc/93/85/09/563938509.db2.gz YRYBNMAQJKAWBX-FRRDWIJNSA-N 1 0 326.843 3.575 50 0 EHAARO Cc1ccc2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)[nH]c2c1 ZINC000058250609 563940952 /nfs/dbraw/zinc/94/09/52/563940952.db2.gz DHSMYJVOUUNURQ-UHFFFAOYSA-N 1 0 325.456 3.567 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2[nH]c3ccccc3c2Cl)C2CC2)CC1 ZINC000058261356 563940998 /nfs/dbraw/zinc/94/09/98/563940998.db2.gz URNGCLKPDSWFAV-UHFFFAOYSA-N 1 0 345.874 3.910 50 0 EHAARO Cc1ccc(C[N@@H+](CCc2ccccc2)CCN2CCCC2=O)s1 ZINC000058266556 563941219 /nfs/dbraw/zinc/94/12/19/563941219.db2.gz XWWFWEKBWNODJD-UHFFFAOYSA-N 1 0 342.508 3.724 50 0 EHAARO Cc1ccc2oc(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000058427296 563946149 /nfs/dbraw/zinc/94/61/49/563946149.db2.gz YCQZWWQCZWDFRN-MRXNPFEDSA-N 1 0 328.456 3.983 50 0 EHAARO CC(=O)Nc1ccc(CN(CC[NH+](C)C)Cc2ccc(C)s2)cc1 ZINC000063848914 563956155 /nfs/dbraw/zinc/95/61/55/563956155.db2.gz SBFSPFHZHFSQJY-UHFFFAOYSA-N 1 0 345.512 3.579 50 0 EHAARO Cc1ccc(C)c(NC(=O)CC[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c1 ZINC000065394277 563959506 /nfs/dbraw/zinc/95/95/06/563959506.db2.gz PYHSTPDCYZJJEO-INIZCTEOSA-N 1 0 338.451 3.745 50 0 EHAARO C[C@@H](c1cccc(-c2cccc(C(=O)c3nccn3C)c2)c1)[NH+](C)C ZINC000065398717 563959819 /nfs/dbraw/zinc/95/98/19/563959819.db2.gz XMHSCDLGJGDEIV-HNNXBMFYSA-N 1 0 333.435 3.941 50 0 EHAARO CN(CCC[C@H]1CCCO1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065404326 563959973 /nfs/dbraw/zinc/95/99/73/563959973.db2.gz GWXQHMDLEXEUBZ-FQEVSTJZSA-N 1 0 344.499 3.704 50 0 EHAARO CCC[C@@H](c1cccs1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065465507 563961272 /nfs/dbraw/zinc/96/12/72/563961272.db2.gz RTAKEJVZQFGKLA-LBPRGKRZSA-N 1 0 345.493 3.555 50 0 EHAARO Cc1[nH+]c([C@H]2CC(=O)Nc3n[nH]c(-c4cccs4)c32)c2ccccn12 ZINC000065490983 563961522 /nfs/dbraw/zinc/96/15/22/563961522.db2.gz APBLSPZYYBHYFO-NSHDSACASA-N 1 0 349.419 3.568 50 0 EHAARO CC(C)[N@H+](C)CCC(=O)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071721543 563964789 /nfs/dbraw/zinc/96/47/89/563964789.db2.gz UGSNNBONQVEZGJ-KRWDZBQOSA-N 1 0 334.479 3.727 50 0 EHAARO CC(C)(O)C[N@@H+]1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071746982 563965031 /nfs/dbraw/zinc/96/50/31/563965031.db2.gz HWEXCJGGAIQLDD-HXUWFJFHSA-N 1 0 339.479 3.680 50 0 EHAARO O=C(CCC[NH+]1CCCCC1)N[C@H](c1ccccc1)c1ccncc1 ZINC000074350245 563966622 /nfs/dbraw/zinc/96/66/22/563966622.db2.gz ODDOFIZJRIYMBP-OAQYLSRUSA-N 1 0 337.467 3.553 50 0 EHAARO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(NC(N)=O)cc3)oc21 ZINC000097034419 563966937 /nfs/dbraw/zinc/96/69/37/563966937.db2.gz FBHVCFDECDZPSG-LBPRGKRZSA-N 1 0 339.395 3.783 50 0 EHAARO CCNC(=O)N1CCC([NH2+][C@H](c2ccccc2OC)C(C)(C)C)CC1 ZINC000097082165 563967256 /nfs/dbraw/zinc/96/72/56/563967256.db2.gz HQBDCIMMGHULIS-GOSISDBHSA-N 1 0 347.503 3.566 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cn1 ZINC000077322120 563968974 /nfs/dbraw/zinc/96/89/74/563968974.db2.gz FZPMJHLMTOZMDC-LJQANCHMSA-N 1 0 349.482 3.981 50 0 EHAARO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000077354228 563969095 /nfs/dbraw/zinc/96/90/95/563969095.db2.gz ZZMVUFQEUOTACY-CYBMUJFWSA-N 1 0 328.441 3.814 50 0 EHAARO CC(=O)c1cccc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c1 ZINC000077354508 563969099 /nfs/dbraw/zinc/96/90/99/563969099.db2.gz FDOGQLIPIYBSQA-UHFFFAOYSA-N 1 0 348.490 3.564 50 0 EHAARO C[C@H](c1nccn1CCCOC1CC[NH+](C)CC1)c1ccccc1 ZINC000077454904 563969771 /nfs/dbraw/zinc/96/97/71/563969771.db2.gz GXWDQZVJFZJBHX-KRWDZBQOSA-N 1 0 327.472 3.536 50 0 EHAARO CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C(C)C)c1cnn(C)c1 ZINC000097228497 563970607 /nfs/dbraw/zinc/97/06/07/563970607.db2.gz VFOHSGJLZXQRRR-IBGZPJMESA-N 1 0 337.471 3.970 50 0 EHAARO CC[C@@](O)(C[NH2+]C1CCSCC1)c1ccc(Br)cc1 ZINC000097228016 563970623 /nfs/dbraw/zinc/97/06/23/563970623.db2.gz CPFPWPWYJGWRPE-OAHLLOKOSA-N 1 0 344.318 3.532 50 0 EHAARO COc1ccccc1C[N@@H+]1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082135327 563972626 /nfs/dbraw/zinc/97/26/26/563972626.db2.gz SEHRQODLLBSTQD-SFHVURJKSA-N 1 0 325.456 3.681 50 0 EHAARO CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccsc3)C2)cc1 ZINC000585150066 563974219 /nfs/dbraw/zinc/97/42/19/563974219.db2.gz REIUHBOMAJADSF-MRXNPFEDSA-N 1 0 345.468 3.543 50 0 EHAARO CCSCCC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095507645 563977198 /nfs/dbraw/zinc/97/71/98/563977198.db2.gz SNXJIQPSVQZOIV-SFHVURJKSA-N 1 0 346.540 3.610 50 0 EHAARO CC[NH+](CC)CCN(C)C(=O)Nc1cccc(-c2cccnc2)c1 ZINC000096151578 563979679 /nfs/dbraw/zinc/97/96/79/563979679.db2.gz QFHBSMOLVGGZEA-UHFFFAOYSA-N 1 0 326.444 3.554 50 0 EHAARO Cc1cscc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000176275169 563981563 /nfs/dbraw/zinc/98/15/63/563981563.db2.gz RBPDNXOPUCLQIY-UHFFFAOYSA-N 1 0 334.510 3.760 50 0 EHAARO C[NH+](C)CC(C)(C)CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000060846433 563981744 /nfs/dbraw/zinc/98/17/44/563981744.db2.gz QQZNRUWNLZXKGS-UHFFFAOYSA-N 1 0 326.366 3.648 50 0 EHAARO CSc1cccc(N(C(=O)C2CC=CC2)C2CC[NH+](C)CC2)c1 ZINC000119861954 563983829 /nfs/dbraw/zinc/98/38/29/563983829.db2.gz QQYPCJLRKWTHMK-UHFFFAOYSA-N 1 0 330.497 3.802 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000237234502 563990998 /nfs/dbraw/zinc/99/09/98/563990998.db2.gz XJSBMVQSRJQSAQ-IACUBPJLSA-N 1 0 341.282 3.555 50 0 EHAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2F)[NH+]2CCCCC2)c1=O ZINC000024022862 563991403 /nfs/dbraw/zinc/99/14/03/563991403.db2.gz JXJUJKHDWWYXKU-LJQANCHMSA-N 1 0 344.430 3.597 50 0 EHAARO CCC[NH+]1CCC(NC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000061031766 563992365 /nfs/dbraw/zinc/99/23/65/563992365.db2.gz GLNZHKMPZLLGOV-UHFFFAOYSA-N 1 0 330.516 3.907 50 0 EHAARO Clc1ccc(-c2ncc(C[NH2+]CCc3cnccn3)s2)cc1 ZINC000408516300 563992857 /nfs/dbraw/zinc/99/28/57/563992857.db2.gz WLZPQLITYCDWIK-UHFFFAOYSA-N 1 0 330.844 3.586 50 0 EHAARO O[C@@H]1CCC[N@H+](C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000408519081 563993095 /nfs/dbraw/zinc/99/30/95/563993095.db2.gz XZWYSDRKCZAFQQ-UAGQMJEPSA-N 1 0 343.389 3.630 50 0 EHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccccc1F ZINC000252476803 563997636 /nfs/dbraw/zinc/99/76/36/563997636.db2.gz BWQFVRVZCJZIKD-DNVCBOLYSA-N 1 0 339.414 3.974 50 0 EHAARO Cc1nnc(CCC[N@@H+]2CCC[C@H]2[C@H]2CCCc3ccccc32)o1 ZINC000252510984 563997881 /nfs/dbraw/zinc/99/78/81/563997881.db2.gz CREVZWPFPTTYDE-OALUTQOASA-N 1 0 325.456 3.895 50 0 EHAARO CCN(Cc1ccc(Cl)s1)Cc1nc(-c2ccccn2)no1 ZINC000069529163 563999809 /nfs/dbraw/zinc/99/98/09/563999809.db2.gz JRQDGQMOSMXIAJ-UHFFFAOYSA-N 1 0 334.832 3.869 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(C)cc2Cl)CC1 ZINC000016527163 564006962 /nfs/dbraw/zinc/00/69/62/564006962.db2.gz VELCACCJMVBJKT-UHFFFAOYSA-N 1 0 339.863 3.692 50 0 EHAARO COc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc(OC)c1O ZINC000000240780 564012123 /nfs/dbraw/zinc/01/21/23/564012123.db2.gz IQSBMRQBCLMFDP-UHFFFAOYSA-N 1 0 341.451 3.864 50 0 EHAARO CC(C)=CCSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1 ZINC000000533382 564021984 /nfs/dbraw/zinc/02/19/84/564021984.db2.gz HTPVOZDKIZGALX-AWEZNQCLSA-N 1 0 328.441 3.852 50 0 EHAARO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000341306968 564022763 /nfs/dbraw/zinc/02/27/63/564022763.db2.gz JOFJPBGHUJWDIO-UHFFFAOYSA-N 1 0 349.478 3.696 50 0 EHAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccco3)cc2)C1 ZINC000047575187 564026497 /nfs/dbraw/zinc/02/64/97/564026497.db2.gz XIFBBJFSBUONHA-INIZCTEOSA-N 1 0 341.455 3.511 50 0 EHAARO C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000106637631 564026574 /nfs/dbraw/zinc/02/65/74/564026574.db2.gz MXHYBCGJPJFMNM-FRRDWIJNSA-N 1 0 328.378 3.583 50 0 EHAARO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000106860874 564026708 /nfs/dbraw/zinc/02/67/08/564026708.db2.gz REFDHLMUEXJPCQ-CHWSQXEVSA-N 1 0 328.378 3.556 50 0 EHAARO O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000075553256 564031996 /nfs/dbraw/zinc/03/19/96/564031996.db2.gz AQNDCASSDOSHLO-CQSZACIVSA-N 1 0 338.436 3.553 50 0 EHAARO c1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)co1 ZINC000048815679 564032237 /nfs/dbraw/zinc/03/22/37/564032237.db2.gz IVMWIZZASJPWML-UHFFFAOYSA-N 1 0 330.391 3.817 50 0 EHAARO CC[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2F)CC[N@@H+]1C ZINC000222800281 564037882 /nfs/dbraw/zinc/03/78/82/564037882.db2.gz VIRFFWNPYLAUHF-OAHLLOKOSA-N 1 0 326.415 3.659 50 0 EHAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000225604741 564048274 /nfs/dbraw/zinc/04/82/74/564048274.db2.gz LTITXHWIJMVMFX-RDTXWAMCSA-N 1 0 337.385 3.830 50 0 EHAARO c1csc(CN(C[C@H]2CCC[N@@H+]2Cc2ccccc2)C2CC2)n1 ZINC000252485536 564053407 /nfs/dbraw/zinc/05/34/07/564053407.db2.gz GXWXZHHKZHXYPT-GOSISDBHSA-N 1 0 327.497 3.772 50 0 EHAARO Cc1ccc2[nH]c(CN3CC[N@@H+](C)[C@H](c4ccccc4)C3)nc2c1C ZINC000252509465 564053541 /nfs/dbraw/zinc/05/35/41/564053541.db2.gz YOHAVCGTAZYBND-IBGZPJMESA-N 1 0 334.467 3.668 50 0 EHAARO O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(-n2cccc2)cc1 ZINC000025174835 564053737 /nfs/dbraw/zinc/05/37/37/564053737.db2.gz BSEYHBGFGUHABV-UHFFFAOYSA-N 1 0 342.402 3.974 50 0 EHAARO Cc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c(C)n1C1CC1 ZINC000063272811 564056974 /nfs/dbraw/zinc/05/69/74/564056974.db2.gz BJNJRRBVHIEHDP-UHFFFAOYSA-N 1 0 343.515 3.824 50 0 EHAARO COC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003476768 564059791 /nfs/dbraw/zinc/05/97/91/564059791.db2.gz VQNJSZIEMGLNDD-KBXCAEBGSA-N 1 0 346.858 3.953 50 0 EHAARO COc1cc(C)c(-c2cccc(C(=O)N3CCC[C@H]([NH3+])C3)c2)cc1C ZINC000534648679 564061527 /nfs/dbraw/zinc/06/15/27/564061527.db2.gz ZRZBXGDDUGVJSW-SFHVURJKSA-N 1 0 338.451 3.542 50 0 EHAARO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1 ZINC000001394807 564064673 /nfs/dbraw/zinc/06/46/73/564064673.db2.gz WZKJLERPHRCVNX-UHFFFAOYSA-N 1 0 337.467 3.778 50 0 EHAARO Cc1cc(C)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(C)c1 ZINC000084074667 564066154 /nfs/dbraw/zinc/06/61/54/564066154.db2.gz BAGHGPXHJCQCQK-NRFANRHFSA-N 1 0 336.479 3.893 50 0 EHAARO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000064034262 564066419 /nfs/dbraw/zinc/06/64/19/564066419.db2.gz VIVJOJHMUNGFKP-HXUWFJFHSA-N 1 0 330.472 3.910 50 0 EHAARO O=C(c1ccc2c(c1)CCCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000084451886 564068197 /nfs/dbraw/zinc/06/81/97/564068197.db2.gz PYXHMZIGBYHFKV-FPOVZHCZSA-N 1 0 338.495 3.654 50 0 EHAARO O=C(c1ccc2c(c1)CCCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000084451885 564068213 /nfs/dbraw/zinc/06/82/13/564068213.db2.gz PYXHMZIGBYHFKV-PZJWPPBQSA-N 1 0 338.495 3.654 50 0 EHAARO CCOc1ccc(Oc2ccc(NC(=O)C[NH2+]C(C)C)cc2)cc1 ZINC000012864618 564075791 /nfs/dbraw/zinc/07/57/91/564075791.db2.gz NSWNVOKJZGTZON-UHFFFAOYSA-N 1 0 328.412 3.814 50 0 EHAARO Cn1cc([C@@H](CNC(=O)/C=C/c2ccccc2)[NH+](C)C)c2ccccc21 ZINC000075149149 564080817 /nfs/dbraw/zinc/08/08/17/564080817.db2.gz QVDNSMGECMXYPO-QZMUEMGWSA-N 1 0 347.462 3.611 50 0 EHAARO CC(C)C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccccn1 ZINC000090524799 564084620 /nfs/dbraw/zinc/08/46/20/564084620.db2.gz JKXPPPBNQXGMSF-ACRUOGEOSA-N 1 0 345.531 3.526 50 0 EHAARO CS[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000241926438 564088432 /nfs/dbraw/zinc/08/84/32/564088432.db2.gz UGFDQKVXVUIERT-IXIBIKRGSA-N 1 0 340.533 3.791 50 0 EHAARO FC(F)(F)c1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000069710552 564089186 /nfs/dbraw/zinc/08/91/86/564089186.db2.gz HVUMMDMWXAMGAS-UHFFFAOYSA-N 1 0 349.400 3.855 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@@H+](Cc3ccccc3)CC(C)C)nc12 ZINC000064590789 564092606 /nfs/dbraw/zinc/09/26/06/564092606.db2.gz VFEAORBJBTXNDY-UHFFFAOYSA-N 1 0 335.451 3.661 50 0 EHAARO CCc1nc(N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)no1 ZINC000426374107 564093514 /nfs/dbraw/zinc/09/35/14/564093514.db2.gz AZDIWTBBHTUJBO-IBGZPJMESA-N 1 0 332.492 3.505 50 0 EHAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000426533764 564094041 /nfs/dbraw/zinc/09/40/41/564094041.db2.gz IINVOBQTCAPQFM-CYBMUJFWSA-N 1 0 348.368 3.806 50 0 EHAARO O=C(c1ccc(-c2cccs2)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000426739080 564094474 /nfs/dbraw/zinc/09/44/74/564094474.db2.gz PMMSPGGYRNDTHJ-KRWDZBQOSA-N 1 0 326.465 3.725 50 0 EHAARO CCn1c(C)c(C)c2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)ccc21 ZINC000006912775 564101248 /nfs/dbraw/zinc/10/12/48/564101248.db2.gz RLZMBNBNRWGAAL-OAHLLOKOSA-N 1 0 341.499 3.882 50 0 EHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000065140793 564101586 /nfs/dbraw/zinc/10/15/86/564101586.db2.gz HMKFKASBVMNXAW-VGSWGCGISA-N 1 0 348.490 3.670 50 0 EHAARO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000006936271 564101920 /nfs/dbraw/zinc/10/19/20/564101920.db2.gz XVMPCWDBLKXCQL-LJQANCHMSA-N 1 0 347.405 3.528 50 0 EHAARO Fc1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccco4)CC3)n2)cc1 ZINC000065287356 564104465 /nfs/dbraw/zinc/10/44/65/564104465.db2.gz ZAOPQCDIGJKDBT-UHFFFAOYSA-N 1 0 326.375 3.583 50 0 EHAARO Cc1c(Cl)ccc2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)nc12 ZINC000170070842 564105201 /nfs/dbraw/zinc/10/52/01/564105201.db2.gz ADMXSUAMKRLLBZ-MRXNPFEDSA-N 1 0 325.799 3.835 50 0 EHAARO CC(C)[C@H]([NH2+]CCc1nnc2ccccn21)c1ccc(F)c(F)c1 ZINC000170073208 564105309 /nfs/dbraw/zinc/10/53/09/564105309.db2.gz GJKUXAQPMKHNJD-SFHVURJKSA-N 1 0 330.382 3.537 50 0 EHAARO CN(Cc1ccc(Cl)c(Cl)c1)Cn1c(=O)oc2ccccc21 ZINC000007141521 564105512 /nfs/dbraw/zinc/10/55/12/564105512.db2.gz OKSVJERKVCKLHV-UHFFFAOYSA-N 1 0 337.206 3.991 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1COC)c1ccco1 ZINC000065409240 564105746 /nfs/dbraw/zinc/10/57/46/564105746.db2.gz AJQQZQQIPNVNBA-QGZVFWFLSA-N 1 0 345.443 3.631 50 0 EHAARO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)COCC(F)(F)F)c2C1 ZINC000065550102 564107410 /nfs/dbraw/zinc/10/74/10/564107410.db2.gz GOZXWBNVCOPQFM-UHFFFAOYSA-N 1 0 344.377 3.566 50 0 EHAARO O=C(C[C@H]1C=CCC1)N[C@H](Cc1ccccc1)C[NH+]1CCCCC1 ZINC000065551826 564107438 /nfs/dbraw/zinc/10/74/38/564107438.db2.gz YOJFTNUFDLEVTM-VQTJNVASSA-N 1 0 326.484 3.556 50 0 EHAARO FC(F)Oc1ccc(Cl)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065588931 564107871 /nfs/dbraw/zinc/10/78/71/564107871.db2.gz GCUXWLLWWFVHNO-CQSZACIVSA-N 1 0 330.806 3.612 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1COC)c1ccco1 ZINC000065608252 564108245 /nfs/dbraw/zinc/10/82/45/564108245.db2.gz AJQQZQQIPNVNBA-KRWDZBQOSA-N 1 0 345.443 3.631 50 0 EHAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(-n3cccn3)c2)cc1 ZINC000170605636 564109542 /nfs/dbraw/zinc/10/95/42/564109542.db2.gz RFKOGQXNIVWMMJ-UHFFFAOYSA-N 1 0 348.450 3.966 50 0 EHAARO C[C@H]1CCO[C@@H]([C@H]([N@@H+]2CCSC3(CCCCC3)C2)C(C)(C)O)C1 ZINC000170607458 564109642 /nfs/dbraw/zinc/10/96/42/564109642.db2.gz SSOPRBFADJMCSV-BBWFWOEESA-N 1 0 341.561 3.693 50 0 EHAARO Cc1nc(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cs1 ZINC000089712475 564113349 /nfs/dbraw/zinc/11/33/49/564113349.db2.gz UHVMYMPHLNXCTQ-KRWDZBQOSA-N 1 0 341.521 3.871 50 0 EHAARO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000089909468 564115185 /nfs/dbraw/zinc/11/51/85/564115185.db2.gz MEHMHNXEYFRFHE-IBGZPJMESA-N 1 0 332.444 3.646 50 0 EHAARO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000090003689 564116131 /nfs/dbraw/zinc/11/61/31/564116131.db2.gz ULAROOMXJAOPOF-CQSZACIVSA-N 1 0 342.468 3.591 50 0 EHAARO Cc1nccn1Cc1cccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000076396624 564116548 /nfs/dbraw/zinc/11/65/48/564116548.db2.gz LBSSBWPQZRBVFW-UHFFFAOYSA-N 1 0 345.368 3.947 50 0 EHAARO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1nnc2ccccn21 ZINC000252486355 564119315 /nfs/dbraw/zinc/11/93/15/564119315.db2.gz JFNXDOGXBHOGOL-JZXOWHBKSA-N 1 0 336.439 3.548 50 0 EHAARO COC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000194117583 564120424 /nfs/dbraw/zinc/12/04/24/564120424.db2.gz STYWTTLZSQMTHS-YESZJQIVSA-N 1 0 341.904 3.672 50 0 EHAARO O=C(NCc1ccccc1)c1cccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195552545 564123697 /nfs/dbraw/zinc/12/36/97/564123697.db2.gz RQMYPROBRWNRTK-NHCUHLMSSA-N 1 0 349.478 3.655 50 0 EHAARO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1cccc(N2CCCC2)c1 ZINC000253369538 564130293 /nfs/dbraw/zinc/13/02/93/564130293.db2.gz DUYUSHANEKUVHP-JRGCBEDISA-N 1 0 343.515 3.588 50 0 EHAARO O=C(NCc1ccccc1)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000253370506 564130331 /nfs/dbraw/zinc/13/03/31/564130331.db2.gz RQMYPROBRWNRTK-SFTDATJTSA-N 1 0 349.478 3.655 50 0 EHAARO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1coc(Br)c1 ZINC000253425533 564131083 /nfs/dbraw/zinc/13/10/83/564131083.db2.gz QCOPRRWSTCWEFQ-UHFFFAOYSA-N 1 0 347.212 3.772 50 0 EHAARO CC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000584895812 564131663 /nfs/dbraw/zinc/13/16/63/564131663.db2.gz KAEXIOXSEOJXAB-FQEVSTJZSA-N 1 0 337.467 3.589 50 0 EHAARO Cc1ccc(-c2nnc([C@H](C)N(C)CCc3nccs3)o2)cc1 ZINC000095435436 564140388 /nfs/dbraw/zinc/14/03/88/564140388.db2.gz MLRVIBSIBZFUCJ-ZDUSSCGKSA-N 1 0 328.441 3.737 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc(O)cc2)c(C)c1 ZINC000095967479 564143056 /nfs/dbraw/zinc/14/30/56/564143056.db2.gz OKYFXTACVQXLTL-INIZCTEOSA-N 1 0 326.440 3.558 50 0 EHAARO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000095968003 564143124 /nfs/dbraw/zinc/14/31/24/564143124.db2.gz PVRSDEODIZQDRU-QWHCGFSZSA-N 1 0 327.428 3.830 50 0 EHAARO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(-n2cccn2)c1 ZINC000095968781 564143269 /nfs/dbraw/zinc/14/32/69/564143269.db2.gz NSVVRVFFNNNXGI-KRWDZBQOSA-N 1 0 347.466 3.587 50 0 EHAARO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)cc1F ZINC000095969243 564143346 /nfs/dbraw/zinc/14/33/46/564143346.db2.gz RCHCBQFOAWWZDK-KGLIPLIRSA-N 1 0 325.391 3.522 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccs1 ZINC000095969304 564143357 /nfs/dbraw/zinc/14/33/57/564143357.db2.gz DYZSEWUSBKPHLM-DOTOQJQBSA-N 1 0 328.481 3.632 50 0 EHAARO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000095984955 564143894 /nfs/dbraw/zinc/14/38/94/564143894.db2.gz HPSSAYKOTDTQJO-SFHVURJKSA-N 1 0 346.862 3.749 50 0 EHAARO CC[NH+](CC)CCSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000096003415 564144451 /nfs/dbraw/zinc/14/44/51/564144451.db2.gz OUEGOHHEBOKNRB-UHFFFAOYSA-N 1 0 342.468 3.961 50 0 EHAARO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc(F)c(C)c2)cc1 ZINC000096404223 564147231 /nfs/dbraw/zinc/14/72/31/564147231.db2.gz RDRZVMQLVOFGCK-UHFFFAOYSA-N 1 0 328.431 3.906 50 0 EHAARO C[C@@H]1C[C@H](N(C)C(=O)/C=C\c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000096414580 564147710 /nfs/dbraw/zinc/14/77/10/564147710.db2.gz UBWQYEJYEDQQDU-GJCIYHRCSA-N 1 0 349.478 3.606 50 0 EHAARO C[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc([S@](C)=O)cc1 ZINC000096476549 564148420 /nfs/dbraw/zinc/14/84/20/564148420.db2.gz AUEKNSMGMXJVRH-IZHWHUGBSA-N 1 0 338.476 3.866 50 0 EHAARO COc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c(OC)c1OC ZINC000002900323 564152988 /nfs/dbraw/zinc/15/29/88/564152988.db2.gz MEIWHCODWVXPKN-UHFFFAOYSA-N 1 0 340.423 3.526 50 0 EHAARO C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(F)c(F)c1 ZINC000057352340 564153629 /nfs/dbraw/zinc/15/36/29/564153629.db2.gz HWTKKGXNUMMCJH-GFCCVEGCSA-N 1 0 348.397 3.566 50 0 EHAARO Fc1ccc(Cn2ncnc2CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000670434669 564156833 /nfs/dbraw/zinc/15/68/33/564156833.db2.gz CJZITFSJCYXWIE-PKOBYXMFSA-N 1 0 342.462 3.663 50 0 EHAARO CCC(=O)Nc1ccc(-c2csc(NCC[NH+](CC)CC)n2)cc1 ZINC000003503991 564158559 /nfs/dbraw/zinc/15/85/59/564158559.db2.gz MUJPPGKOLVXVAX-UHFFFAOYSA-N 1 0 346.500 3.912 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(C)oc(C)c2C)cc1 ZINC000031498028 564159455 /nfs/dbraw/zinc/15/94/55/564159455.db2.gz BKCLHWAHLVBXIN-UHFFFAOYSA-N 1 0 328.456 3.977 50 0 EHAARO C[C@@H]1CCc2sc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC000007981262 564161737 /nfs/dbraw/zinc/16/17/37/564161737.db2.gz SUWMPCSGCGUEOZ-RHSMWYFYSA-N 1 0 342.508 3.906 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(F)cc1 ZINC000008157215 564163239 /nfs/dbraw/zinc/16/32/39/564163239.db2.gz HZZNFJIBGKPXFX-INIZCTEOSA-N 1 0 331.391 3.767 50 0 EHAARO CC1CCN(c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000008163933 564163286 /nfs/dbraw/zinc/16/32/86/564163286.db2.gz NOKYTFBLBGOVIA-UHFFFAOYSA-N 1 0 329.488 3.737 50 0 EHAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+](C)Cc1ccccc1 ZINC000008572494 564165770 /nfs/dbraw/zinc/16/57/70/564165770.db2.gz JCERJKTXKJGEHZ-UHFFFAOYSA-N 1 0 335.451 3.947 50 0 EHAARO CC(C)c1noc(C2CC[NH+]([C@@H]3CCN(c4ccccc4)C3)CC2)n1 ZINC000670472789 564166107 /nfs/dbraw/zinc/16/61/07/564166107.db2.gz UORXSBVCUZDREA-GOSISDBHSA-N 1 0 340.471 3.651 50 0 EHAARO Cc1nn(C2CCCCC2)c2c1[C@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N2 ZINC000244716010 564168460 /nfs/dbraw/zinc/16/84/60/564168460.db2.gz LGSYQKLZYLVFJQ-LZWOXQAQSA-N 1 0 330.476 3.640 50 0 EHAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCc2sccc2C1 ZINC000069626277 564171021 /nfs/dbraw/zinc/17/10/21/564171021.db2.gz HDUMTWYBMFDISJ-KRWDZBQOSA-N 1 0 340.492 3.512 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc(F)ccc2F)CC1 ZINC000069669285 564171402 /nfs/dbraw/zinc/17/14/02/564171402.db2.gz MFWNVEWZGMOESC-UHFFFAOYSA-N 1 0 345.393 3.723 50 0 EHAARO CC(C)CN(C(=O)c1cc(-c2ccccc2)no1)C1CC[NH+](C)CC1 ZINC000069738111 564171810 /nfs/dbraw/zinc/17/18/10/564171810.db2.gz JSXMXFNEIDWUHB-UHFFFAOYSA-N 1 0 341.455 3.534 50 0 EHAARO CCOc1ccccc1OCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000142746940 564172595 /nfs/dbraw/zinc/17/25/95/564172595.db2.gz IBSHYZYWVDSBOI-INIZCTEOSA-N 1 0 329.440 3.694 50 0 EHAARO C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000071799275 564175454 /nfs/dbraw/zinc/17/54/54/564175454.db2.gz INSZUGQZZQQQHM-JKSUJKDBSA-N 1 0 332.492 3.596 50 0 EHAARO c1ccc([C@@H](CC2CCC2)[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000655753398 1017536195 /nfs/dbraw/zinc/53/61/95/1017536195.db2.gz ZYVZNIQVAKXAAF-NHCUHLMSSA-N 1 0 328.500 3.761 50 0 EHAARO OCC[C@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000022932605 1026446448 /nfs/dbraw/zinc/44/64/48/1026446448.db2.gz QGZBQKDNTGJNSX-BXWQOUMASA-N 1 0 348.918 3.578 50 0 EHAARO c1nc(-c2ccc(N3CCC([NH2+][C@H]4CCCOC4)CC3)cc2)cs1 ZINC000023129551 1028458790 /nfs/dbraw/zinc/45/87/90/1028458790.db2.gz FFPUKINWYFOVCF-KRWDZBQOSA-N 1 0 343.496 3.548 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1 ZINC000174154981 1033786152 /nfs/dbraw/zinc/78/61/52/1033786152.db2.gz HUQVLMSCXGFVPX-MRXNPFEDSA-N 1 0 343.496 3.675 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)C1 ZINC000178337328 1038149630 /nfs/dbraw/zinc/14/96/30/1038149630.db2.gz VNXOHRHSOMRESC-UELRPHRMSA-N 1 0 340.389 3.567 50 0 EHAARO Cc1noc(CN2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000329833492 1040773524 /nfs/dbraw/zinc/77/35/24/1040773524.db2.gz KSMABAMDXHYPOF-LBPRGKRZSA-N 1 0 342.226 3.728 50 0 EHAARO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)CCO4)CC2)n1 ZINC000178418346 1042112350 /nfs/dbraw/zinc/11/23/50/1042112350.db2.gz OEHRTOUMWJFOPQ-INIZCTEOSA-N 1 0 337.467 3.645 50 0 EHAARO CSCc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000824920119 1131234039 /nfs/dbraw/zinc/23/40/39/1131234039.db2.gz UUNQYOPWEZAYAD-UHFFFAOYSA-N 1 0 330.453 3.991 50 0 EHAARO O=C(/C=C/c1cccs1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032763311 1122092617 /nfs/dbraw/zinc/09/26/17/1122092617.db2.gz PREHJAJYEXXTRO-MVGZEHJDSA-N 1 0 332.494 3.776 50 0 EHAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1cccc2[nH]ccc21 ZINC000180831627 1124086952 /nfs/dbraw/zinc/08/69/52/1124086952.db2.gz BTWUIJYAOJOAHX-UHFFFAOYSA-N 1 0 349.438 3.601 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cc1O ZINC000012054935 1129309489 /nfs/dbraw/zinc/30/94/89/1129309489.db2.gz UIYZETAYHWXNDJ-HNNXBMFYSA-N 1 0 348.393 3.756 50 0 EHAARO CCCn1ncc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)c1C ZINC000012762391 1129460102 /nfs/dbraw/zinc/46/01/02/1129460102.db2.gz FTYDIBGALGRREP-KRWDZBQOSA-N 1 0 346.519 3.519 50 0 EHAARO CC[C@H](C(=O)N(Cc1ccccc1)Cc1ncccc1C)[N@H+](C)CC ZINC000823061332 1131037537 /nfs/dbraw/zinc/03/75/37/1131037537.db2.gz OGBKWHALINULEO-HXUWFJFHSA-N 1 0 339.483 3.649 50 0 EHAARO CCc1nccn1C[C@H](C)[NH2+]CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000823557467 1131073903 /nfs/dbraw/zinc/07/39/03/1131073903.db2.gz QVUHMBRHUJCRCR-ZDUSSCGKSA-N 1 0 345.878 3.586 50 0 EHAARO O=C(c1cccc2c3c([nH]c21)CCCC3)N1CCC(c2c[nH]cn2)CC1 ZINC000378071473 1131159311 /nfs/dbraw/zinc/15/93/11/1131159311.db2.gz FRFKIZLWRNYWID-UHFFFAOYSA-N 1 0 348.450 3.790 50 0 EHAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000828169503 1131423824 /nfs/dbraw/zinc/42/38/24/1131423824.db2.gz YWICGMBUSYNVEJ-UHFFFAOYSA-N 1 0 336.435 3.860 50 0 EHAARO CCNC(=O)Nc1ccc2c(c1)C[N@@H+](CC1CCCCC1)CCO2 ZINC000575541804 1131568896 /nfs/dbraw/zinc/56/88/96/1131568896.db2.gz KHRRPSMXHXLNAG-UHFFFAOYSA-N 1 0 331.460 3.603 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000575547124 1131572125 /nfs/dbraw/zinc/57/21/25/1131572125.db2.gz XDVUZTLRAZHBKR-GOSISDBHSA-N 1 0 341.430 3.614 50 0 EHAARO Oc1cc(F)cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000185509334 1131572277 /nfs/dbraw/zinc/57/22/77/1131572277.db2.gz JMCODHZEAXXUNZ-UHFFFAOYSA-N 1 0 343.398 3.862 50 0 EHAARO O=C(C[C@@H]1CCOC2(CC[NH+](C3CCCCC3)CC2)C1)N1CCCC1 ZINC000581786415 1132358526 /nfs/dbraw/zinc/35/85/26/1132358526.db2.gz SMVNBMZOBWQNIE-SFHVURJKSA-N 1 0 348.531 3.593 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000581806349 1132368685 /nfs/dbraw/zinc/36/86/85/1132368685.db2.gz PNCZDEAMLIPLIT-LJQANCHMSA-N 1 0 337.467 3.865 50 0 EHAARO C[NH+](C)CCCN1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl ZINC000005524877 1135031989 /nfs/dbraw/zinc/03/19/89/1135031989.db2.gz UXHGLFZWHNSTGF-CQSZACIVSA-N 1 0 333.284 3.519 50 0 EHAARO Cc1cc2ccccc2c(N2CCC[C@H](CNC(=O)c3ccco3)C2)[nH+]1 ZINC000585079923 1136964158 /nfs/dbraw/zinc/96/41/58/1136964158.db2.gz DCEDOMXCEVTSCJ-MRXNPFEDSA-N 1 0 349.434 3.783 50 0 EHAARO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCO[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000585133427 1137021753 /nfs/dbraw/zinc/02/17/53/1137021753.db2.gz HWAFOOYFMKWCCV-UAGQMJEPSA-N 1 0 343.389 3.630 50 0 EHAARO CSc1cccc(C[NH2+][C@@H]2CCCN(Cc3cccc(O)c3)C2)c1 ZINC000952863835 1137483387 /nfs/dbraw/zinc/48/33/87/1137483387.db2.gz XAXDYOHBSUXXFA-GOSISDBHSA-N 1 0 342.508 3.868 50 0 EHAARO CC[C@@H](C(=O)NCc1ccc(-c2ccccc2Cl)o1)[N@H+](C)CC ZINC000952974737 1137484349 /nfs/dbraw/zinc/48/43/49/1137484349.db2.gz WRRCHJWPQADSMP-INIZCTEOSA-N 1 0 334.847 3.947 50 0 EHAARO O=C(c1csc(-c2ccccc2)n1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000828208294 1140095040 /nfs/dbraw/zinc/09/50/40/1140095040.db2.gz HLZHPFZJMMTQOQ-UHFFFAOYSA-N 1 0 341.480 3.511 50 0 EHAARO CC[NH+]1CCC(n2nccc2NC(=O)c2coc3ccccc23)CC1 ZINC000113166536 1140785550 /nfs/dbraw/zinc/78/55/50/1140785550.db2.gz JQFQAFZBRWKJBB-UHFFFAOYSA-N 1 0 338.411 3.538 50 0 EHAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000004743701 210267165 /nfs/dbraw/zinc/26/71/65/210267165.db2.gz FEJOULHSKJVETA-LBPRGKRZSA-N 1 0 325.250 3.510 50 0 EHAARO Cc1csc2nc(C[N@H+](C3CC3)C3CCC(C)CC3)cc(=O)n12 ZINC000053170376 214167555 /nfs/dbraw/zinc/16/75/55/214167555.db2.gz ODLSSAPROHTHEZ-UHFFFAOYSA-N 1 0 331.485 3.608 50 0 EHAARO COCC[N@H+](C/C=C/c1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000055254375 214296319 /nfs/dbraw/zinc/29/63/19/214296319.db2.gz IDYGTICHEIOSKT-RMKNXTFCSA-N 1 0 338.451 3.807 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2ccccc2Cn2cccn2)c1 ZINC000055269721 214298052 /nfs/dbraw/zinc/29/80/52/214298052.db2.gz MOZAYXHLVTXVIR-SFHVURJKSA-N 1 0 334.467 3.698 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(F)c(F)c1 ZINC000055472229 214325191 /nfs/dbraw/zinc/32/51/91/214325191.db2.gz ULPBWSLUXBQMPH-NSHDSACASA-N 1 0 332.329 3.535 50 0 EHAARO C[C@@H](c1cccc(-c2ncccc2C(=O)N2CCCCC2)c1)[NH+](C)C ZINC000097784720 219057020 /nfs/dbraw/zinc/05/70/20/219057020.db2.gz SKQATNRMZCFNEU-INIZCTEOSA-N 1 0 337.467 3.997 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000004685496 210247485 /nfs/dbraw/zinc/24/74/85/210247485.db2.gz RKUIWDOFEHKTTD-KRWDZBQOSA-N 1 0 327.424 3.880 50 0 EHAARO C/C(=C\C(=O)N1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000098013942 219068880 /nfs/dbraw/zinc/06/88/80/219068880.db2.gz SKEHNENTMAHNPF-ACCUITESSA-N 1 0 340.389 3.661 50 0 EHAARO Cc1ccc2cc(C(=O)NCC3([NH+](C)C)CCCCCC3)[nH]c2c1 ZINC000058364217 214562623 /nfs/dbraw/zinc/56/26/23/214562623.db2.gz JKHZABGAMSRYTB-UHFFFAOYSA-N 1 0 327.472 3.861 50 0 EHAARO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1cc2cc(F)ccc2s1 ZINC000178431110 232164565 /nfs/dbraw/zinc/16/45/65/232164565.db2.gz FJQZGJRUZIHCIP-PHTAMDTFSA-N 1 0 332.444 3.577 50 0 EHAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(F)c(Br)c1)[NH2+]CC2 ZINC000004031353 210104773 /nfs/dbraw/zinc/10/47/73/210104773.db2.gz ZJANSNICGZFVPW-DFBGVHRSSA-N 1 0 328.225 3.544 50 0 EHAARO Cn1cc(C[NH2+]Cc2csc3ccccc23)c(-c2ccncc2)n1 ZINC000067220678 215124704 /nfs/dbraw/zinc/12/47/04/215124704.db2.gz ZKJMRIQYMHANCD-UHFFFAOYSA-N 1 0 334.448 3.987 50 0 EHAARO C[C@@H]([NH2+]C1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Cl ZINC000067774247 215208907 /nfs/dbraw/zinc/20/89/07/215208907.db2.gz CIYZDLLZIJTQHB-CQSZACIVSA-N 1 0 343.858 3.690 50 0 EHAARO COc1ccc2cc(C[N@H+](C)Cc3sccc3C)c(=O)[nH]c2c1 ZINC000067847362 215230347 /nfs/dbraw/zinc/23/03/47/215230347.db2.gz DGSWYQPTKOFOLE-UHFFFAOYSA-N 1 0 328.437 3.539 50 0 EHAARO Cc1nn2c(nc3c(c2NCCC[NH+](C)C)CCC3)c1-c1ccccc1 ZINC000002357921 209844583 /nfs/dbraw/zinc/84/45/83/209844583.db2.gz UJVPNLQXBDIMCH-UHFFFAOYSA-N 1 0 349.482 3.557 50 0 EHAARO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000040528275 213337165 /nfs/dbraw/zinc/33/71/65/213337165.db2.gz REZYYXDTEFBQPW-PKOBYXMFSA-N 1 0 345.464 3.528 50 0 EHAARO CC(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)[NH+]1CCC(C)CC1 ZINC000040090764 213262896 /nfs/dbraw/zinc/26/28/96/213262896.db2.gz UJKKKQRTLOEKMX-MRXNPFEDSA-N 1 0 340.870 3.965 50 0 EHAARO Cc1cc2[nH]c(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2c(C)c1 ZINC000039549470 213240078 /nfs/dbraw/zinc/24/00/78/213240078.db2.gz MEBLXURWZOAUFX-SFHVURJKSA-N 1 0 347.462 3.789 50 0 EHAARO CCC[N@@H+](Cc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000036099972 213065233 /nfs/dbraw/zinc/06/52/33/213065233.db2.gz SWUCPYOQKYJQAH-FQEVSTJZSA-N 1 0 327.468 3.955 50 0 EHAARO CCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036031572 213057090 /nfs/dbraw/zinc/05/70/90/213057090.db2.gz JDUREUPXUMQFSU-MRXNPFEDSA-N 1 0 337.847 3.893 50 0 EHAARO Cc1ccccc1[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000072117442 216012257 /nfs/dbraw/zinc/01/22/57/216012257.db2.gz HSGQBNJACHRWIH-QFIPXVFZSA-N 1 0 336.479 3.933 50 0 EHAARO Cc1c(CNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)oc2ccccc12 ZINC000072140489 216027178 /nfs/dbraw/zinc/02/71/78/216027178.db2.gz RERRMBBJVCSZQM-HNNXBMFYSA-N 1 0 334.419 3.748 50 0 EHAARO Cc1cccc(C[NH+]2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000072147486 216035163 /nfs/dbraw/zinc/03/51/63/216035163.db2.gz OPYBJBJFANHNSK-UHFFFAOYSA-N 1 0 346.478 3.703 50 0 EHAARO COc1ccc(NC(=O)c2ccccc2[C@H]2CC[NH2+]C2)cc1Cl ZINC000072158167 216048645 /nfs/dbraw/zinc/04/86/45/216048645.db2.gz LAPNARKBHQZJSN-LBPRGKRZSA-N 1 0 330.815 3.678 50 0 EHAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000072303975 216142118 /nfs/dbraw/zinc/14/21/18/216142118.db2.gz JZURJAOIBNOFEI-HNNXBMFYSA-N 1 0 342.487 3.810 50 0 EHAARO C[C@H](C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1)[NH+]1CCCC1 ZINC000072418121 216206441 /nfs/dbraw/zinc/20/64/41/216206441.db2.gz HPWFWEDJVORLJD-CYBMUJFWSA-N 1 0 338.854 3.816 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCc2ccccc21 ZINC000072482407 216261566 /nfs/dbraw/zinc/26/15/66/216261566.db2.gz VKGSHBLGOMUSER-UHFFFAOYSA-N 1 0 335.451 3.555 50 0 EHAARO CC(C)[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000026179829 212509718 /nfs/dbraw/zinc/50/97/18/212509718.db2.gz RHUQTNAQBJSWMH-KRWDZBQOSA-N 1 0 331.504 3.992 50 0 EHAARO CCc1cccc2c(C(=O)[C@H](NCC[NH+](C)C)c3ccccc3)c[nH]c21 ZINC000023466402 212378192 /nfs/dbraw/zinc/37/81/92/212378192.db2.gz PDFWGKIYIYKUMC-OAQYLSRUSA-N 1 0 349.478 3.806 50 0 EHAARO CN(Cc1nc(CC2CC2)no1)CC1([NH+]2CCCCC2)CCCCC1 ZINC000022925980 212336179 /nfs/dbraw/zinc/33/61/79/212336179.db2.gz UVLAHFDOBOEHBH-UHFFFAOYSA-N 1 0 346.519 3.643 50 0 EHAARO C[C@H](c1ccccc1)[N@H+](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000023039497 212344072 /nfs/dbraw/zinc/34/40/72/212344072.db2.gz CNAPDMKUWHCCAU-MRXNPFEDSA-N 1 0 336.435 3.756 50 0 EHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000022766950 212322212 /nfs/dbraw/zinc/32/22/12/212322212.db2.gz XHGKUAFAEAGPLB-INIZCTEOSA-N 1 0 333.432 3.846 50 0 EHAARO CCn1c(C)cc(O)c([C@@H](c2cccs2)[NH+]2CCCCC2)c1=O ZINC000022697534 212317709 /nfs/dbraw/zinc/31/77/09/212317709.db2.gz ZHNRRHVEWUECIL-QGZVFWFLSA-N 1 0 332.469 3.519 50 0 EHAARO Cc1c2ccccc2oc1CN1CC[NH+](C2CCSCC2)CC1 ZINC000215375776 241121900 /nfs/dbraw/zinc/12/19/00/241121900.db2.gz IJNDGDDTCMAVCK-UHFFFAOYSA-N 1 0 330.497 3.754 50 0 EHAARO Cc1cc(-n2cccn2)ccc1C[NH+]1CCC(CCn2cccn2)CC1 ZINC000214959365 241100953 /nfs/dbraw/zinc/10/09/53/241100953.db2.gz AFHQWJGUHTZSEV-UHFFFAOYSA-N 1 0 349.482 3.680 50 0 EHAARO COc1cccc([C@H]2CC[N@@H+]2Cc2cc3c(cc2C)OCCO3)c1 ZINC000215193453 241110988 /nfs/dbraw/zinc/11/09/88/241110988.db2.gz GFFRLNAHEBNSGK-GOSISDBHSA-N 1 0 325.408 3.722 50 0 EHAARO COc1cccc([C@H]2CC[N@@H+]2Cc2cccc(Cn3cccn3)c2)c1 ZINC000215236799 241113557 /nfs/dbraw/zinc/11/35/57/241113557.db2.gz SZYAQRCDQLMVCO-OAQYLSRUSA-N 1 0 333.435 3.887 50 0 EHAARO CSCC[NH+]1CCN(Cc2ccc(C)c(Cl)c2Cl)CC1 ZINC000216233473 241174926 /nfs/dbraw/zinc/17/49/26/241174926.db2.gz ABOHLZBCNLVZQK-UHFFFAOYSA-N 1 0 333.328 3.782 50 0 EHAARO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000216344163 241182457 /nfs/dbraw/zinc/18/24/57/241182457.db2.gz OIOKXTPPKNAZFW-GFCCVEGCSA-N 1 0 329.835 3.627 50 0 EHAARO Cn1ccnc1CCC[N@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000215440005 241125845 /nfs/dbraw/zinc/12/58/45/241125845.db2.gz KMKGESLSCHCURV-MRXNPFEDSA-N 1 0 333.501 3.788 50 0 EHAARO O=C(c1ccccc1-c1ccc(F)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000219357880 241382902 /nfs/dbraw/zinc/38/29/02/241382902.db2.gz CMKAWWJRYHZGIO-SFHVURJKSA-N 1 0 338.426 3.803 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000021960174 212266276 /nfs/dbraw/zinc/26/62/76/212266276.db2.gz JRDIZAXWVJFABJ-MRXNPFEDSA-N 1 0 343.298 3.729 50 0 EHAARO COc1ccc(Cl)cc1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000225463884 241877864 /nfs/dbraw/zinc/87/78/64/241877864.db2.gz WCZFITYSTSWQLN-UHFFFAOYSA-N 1 0 335.835 3.856 50 0 EHAARO O=c1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)nc2ccccn12 ZINC000225548853 241922574 /nfs/dbraw/zinc/92/25/74/241922574.db2.gz CMVMSCSUXZPMLM-UHFFFAOYSA-N 1 0 339.826 3.517 50 0 EHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000229768885 242197862 /nfs/dbraw/zinc/19/78/62/242197862.db2.gz NJJLBHFGSABEQL-MAUKXSAKSA-N 1 0 333.435 3.733 50 0 EHAARO Cc1cc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H](C)CC2)no1 ZINC000229785189 242199073 /nfs/dbraw/zinc/19/90/73/242199073.db2.gz PIMXOBBSCTZDSA-KDOFPFPSSA-N 1 0 327.428 3.785 50 0 EHAARO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000230160861 242241186 /nfs/dbraw/zinc/24/11/86/242241186.db2.gz UFBVATCXSMAFGB-QFBILLFUSA-N 1 0 340.467 3.717 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000237065568 242466939 /nfs/dbraw/zinc/46/69/39/242466939.db2.gz YQFBLQXQGKKXQJ-QGZVFWFLSA-N 1 0 331.504 3.682 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000237491516 242663537 /nfs/dbraw/zinc/66/35/37/242663537.db2.gz SUMMZYBDXVPSDQ-IGHBBLSQSA-N 1 0 341.282 3.683 50 0 EHAARO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000241720798 242998201 /nfs/dbraw/zinc/99/82/01/242998201.db2.gz QSISUNZLICRMLP-RTBURBONSA-N 1 0 340.467 3.929 50 0 EHAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cncn3C3CCCCC3)C2)n1 ZINC000244659711 243050155 /nfs/dbraw/zinc/05/01/55/243050155.db2.gz HHQPTDBEHDWFSC-GOSISDBHSA-N 1 0 327.476 3.649 50 0 EHAARO COCCn1cncc1C[N@@H+]1CCCCC[C@@H]1c1cccc(F)c1 ZINC000244788067 243081885 /nfs/dbraw/zinc/08/18/85/243081885.db2.gz QIRQORNSSCSXAD-LJQANCHMSA-N 1 0 331.435 3.786 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000244788073 243083107 /nfs/dbraw/zinc/08/31/07/243083107.db2.gz QIUUCSPEYMCHNK-OAHLLOKOSA-N 1 0 344.890 3.584 50 0 EHAARO CCC[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020444477 212128867 /nfs/dbraw/zinc/12/88/67/212128867.db2.gz HRDCJVIMZVXUNA-FGZHOGPDSA-N 1 0 339.479 3.790 50 0 EHAARO CCC[C@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020444473 212128743 /nfs/dbraw/zinc/12/87/43/212128743.db2.gz HRDCJVIMZVXUNA-YADHBBJMSA-N 1 0 339.479 3.790 50 0 EHAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(F)cc1Cl ZINC000077340567 216876985 /nfs/dbraw/zinc/87/69/85/216876985.db2.gz UGXPROKMHZFEDC-INIZCTEOSA-N 1 0 346.833 3.608 50 0 EHAARO Brc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000019809248 212071108 /nfs/dbraw/zinc/07/11/08/212071108.db2.gz NIUFRFULLABHHL-UHFFFAOYSA-N 1 0 337.305 3.899 50 0 EHAARO CCc1nc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)cs1 ZINC000078663120 217096962 /nfs/dbraw/zinc/09/69/62/217096962.db2.gz DQOSQBIHAOAFQI-CYBMUJFWSA-N 1 0 330.375 3.548 50 0 EHAARO Cc1ccc(C)c([N+]2=C3CCCCN3[C@@](O)(c3cccs3)C2)c1 ZINC000015953383 211871968 /nfs/dbraw/zinc/87/19/68/211871968.db2.gz PJOGFKIJZSYBRG-IBGZPJMESA-N 1 0 327.473 3.625 50 0 EHAARO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000080960532 217343961 /nfs/dbraw/zinc/34/39/61/217343961.db2.gz SJPPVDJSRIFZNX-GJZGRUSLSA-N 1 0 337.427 3.709 50 0 EHAARO Cc1c([C@H](C)[NH2+]Cc2cccc(O)c2)cnn1-c1cccc(F)c1 ZINC000012470235 211390037 /nfs/dbraw/zinc/39/00/37/211390037.db2.gz PFWKOOKVRFLVNF-ZDUSSCGKSA-N 1 0 325.387 3.876 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000012420083 211375269 /nfs/dbraw/zinc/37/52/69/211375269.db2.gz SDCHXRFZDLZQFR-PKOBYXMFSA-N 1 0 325.452 3.968 50 0 EHAARO CC(C)c1ccc(O[C@@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012383017 211363558 /nfs/dbraw/zinc/36/35/58/211363558.db2.gz IHRZCFXLLCPJCQ-INIZCTEOSA-N 1 0 332.488 3.566 50 0 EHAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc(F)cc1F ZINC000089947838 217892924 /nfs/dbraw/zinc/89/29/24/217892924.db2.gz HFCJJLFLFOGFOY-UYHISHBKSA-N 1 0 336.426 3.653 50 0 EHAARO CN(C(=O)C1CCCC1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011951699 211273592 /nfs/dbraw/zinc/27/35/92/211273592.db2.gz KQSYXSBSVLWTNH-HXUWFJFHSA-N 1 0 328.500 3.732 50 0 EHAARO COC[C@]1(O)CC[N@H+](Cc2ccccc2OC2CCCC2)CC1(C)C ZINC000091552084 218021550 /nfs/dbraw/zinc/02/15/50/218021550.db2.gz KYNAPFFPCDVLGI-OAQYLSRUSA-N 1 0 347.499 3.617 50 0 EHAARO Cc1cc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)nc2ccc(F)cc12 ZINC000091586637 218025762 /nfs/dbraw/zinc/02/57/62/218025762.db2.gz OKKHPQRFDSUDDZ-SJLPKXTDSA-N 1 0 339.458 3.993 50 0 EHAARO CSc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC=C(C)C)c1 ZINC000091706438 218050899 /nfs/dbraw/zinc/05/08/99/218050899.db2.gz UUACLURXLIVWDE-ZWKOTPCHSA-N 1 0 344.524 3.798 50 0 EHAARO CNc1nc(N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)cc(C)[nH+]1 ZINC000091643531 218036578 /nfs/dbraw/zinc/03/65/78/218036578.db2.gz AFLMTGBKBXJKLK-MRXNPFEDSA-N 1 0 346.438 3.773 50 0 EHAARO CC[NH+]1CCC(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)CC1 ZINC000011759126 211244547 /nfs/dbraw/zinc/24/45/47/211244547.db2.gz MYNBUZHCXBBVQM-GOSISDBHSA-N 1 0 346.490 3.729 50 0 EHAARO O=C(C1=CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011753504 211243726 /nfs/dbraw/zinc/24/37/26/211243726.db2.gz HYVQCOHGTLDVHL-NRFANRHFSA-N 1 0 342.458 3.751 50 0 EHAARO Cc1ccc(F)c(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 ZINC000091808562 218070124 /nfs/dbraw/zinc/07/01/24/218070124.db2.gz HJURMLDCBRYHNC-UHFFFAOYSA-N 1 0 344.474 3.749 50 0 EHAARO COCC[C@]1(O)CC[N@H+](Cc2cccc(-c3ccco3)c2)C[C@H]1C ZINC000091872219 218081190 /nfs/dbraw/zinc/08/11/90/218081190.db2.gz NSIXVXQLSIZJOB-OXQOHEQNSA-N 1 0 329.440 3.556 50 0 EHAARO CC1(C)C[N@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@]1(C)O ZINC000091997479 218100883 /nfs/dbraw/zinc/10/08/83/218100883.db2.gz VNSGEMSGAWUVSA-NRFANRHFSA-N 1 0 340.467 3.644 50 0 EHAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000092076995 218116437 /nfs/dbraw/zinc/11/64/37/218116437.db2.gz BNKAFTCORKNLEI-QGZVFWFLSA-N 1 0 338.904 3.626 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000009991923 211138720 /nfs/dbraw/zinc/13/87/20/211138720.db2.gz VGVIHESZVKHCCG-UHFFFAOYSA-N 1 0 328.843 3.866 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2ccccc2cc1O ZINC000009917156 211133050 /nfs/dbraw/zinc/13/30/50/211133050.db2.gz NRFDWYHAAHSWRJ-UHFFFAOYSA-N 1 0 334.419 3.537 50 0 EHAARO CC(C)CC[C@@]1(CC(=O)NCCC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000009577189 211103797 /nfs/dbraw/zinc/10/37/97/211103797.db2.gz YHGRPYNJENYRNB-AZUAARDMSA-N 1 0 340.552 3.702 50 0 EHAARO C/C=C/c1ccc(OC[C@H](O)C[N@@H+](CCC)CC2CC2)c(OC)c1 ZINC000009223883 211055106 /nfs/dbraw/zinc/05/51/06/211055106.db2.gz MDDUUKFEVYBMLM-MJICGBHWSA-N 1 0 333.472 3.590 50 0 EHAARO C(=C/C[N@@H+]1CCc2sccc2C1)\CN1CCc2sccc2C1 ZINC000095356838 218290765 /nfs/dbraw/zinc/29/07/65/218290765.db2.gz XYLADRIERMMLMQ-OWOJBTEDSA-N 1 0 330.522 3.782 50 0 EHAARO CN(C/C=C/c1ccccc1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095391883 218323634 /nfs/dbraw/zinc/32/36/34/218323634.db2.gz QCYKUOWWXYIUKW-VHTFYLNKSA-N 1 0 334.463 3.939 50 0 EHAARO COc1cccc([C@@H](C[C@@H]2CCCO2)[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000095419582 218359601 /nfs/dbraw/zinc/35/96/01/218359601.db2.gz WCEAMROCDLHDPD-LEWJYISDSA-N 1 0 344.499 3.522 50 0 EHAARO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095419631 218359869 /nfs/dbraw/zinc/35/98/69/218359869.db2.gz DPUQFDLPCQSLCP-YWZLYKJASA-N 1 0 326.440 3.553 50 0 EHAARO COc1cccc(Oc2ccc(C[NH2+][C@@H](C)C3CCOCC3)cn2)c1 ZINC000095420488 218360502 /nfs/dbraw/zinc/36/05/02/218360502.db2.gz QCVRYKZASXVFJK-HNNXBMFYSA-N 1 0 342.439 3.787 50 0 EHAARO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCCC3)nc1)CCCO2 ZINC000095420070 218360652 /nfs/dbraw/zinc/36/06/52/218360652.db2.gz OONWKPLACMODRE-LJQANCHMSA-N 1 0 337.467 3.994 50 0 EHAARO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000095420838 218361576 /nfs/dbraw/zinc/36/15/76/218361576.db2.gz PGBRCZAAHXPXAA-KBXCAEBGSA-N 1 0 344.480 3.586 50 0 EHAARO O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000095420655 218361602 /nfs/dbraw/zinc/36/16/02/218361602.db2.gz XRXXRUSOZSKPGI-FQEVSTJZSA-N 1 0 338.426 3.725 50 0 EHAARO Cc1c([C@H](C)[NH2+]Cc2cccc3cccnc32)cnn1-c1ccccn1 ZINC000095421283 218363193 /nfs/dbraw/zinc/36/31/93/218363193.db2.gz QNHXPPNJDGNSKS-HNNXBMFYSA-N 1 0 343.434 3.975 50 0 EHAARO c1cn(-c2cc(C[NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)ccn2)cn1 ZINC000095421121 218363355 /nfs/dbraw/zinc/36/33/55/218363355.db2.gz KIPYHSUSUWYNRU-GOSISDBHSA-N 1 0 346.434 3.803 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)c(OC)c1 ZINC000007946726 210867817 /nfs/dbraw/zinc/86/78/17/210867817.db2.gz SUZZCQUSHKJGPO-UHFFFAOYSA-N 1 0 340.467 3.775 50 0 EHAARO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1 ZINC000096009237 218510898 /nfs/dbraw/zinc/51/08/98/218510898.db2.gz PUMFLHQMSYNRJX-WMQCIHAUSA-N 1 0 336.479 3.817 50 0 EHAARO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)n1cccn1)C1CCOCC1 ZINC000096479137 218855745 /nfs/dbraw/zinc/85/57/45/218855745.db2.gz MQOIBUWZIAIBDU-KDOFPFPSSA-N 1 0 333.863 3.531 50 0 EHAARO Cc1ccc(-c2cccc(C[NH+]3CCC4(COC(=O)O4)CC3)c2)o1 ZINC000097294590 219009687 /nfs/dbraw/zinc/00/96/87/219009687.db2.gz NVVQMXBKPQQMPY-UHFFFAOYSA-N 1 0 327.380 3.756 50 0 EHAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004834098 210291902 /nfs/dbraw/zinc/29/19/02/210291902.db2.gz WIYQPGDOIYFSQF-BZPMIXESSA-N 1 0 332.271 3.996 50 0 EHAARO O=C(CSc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004777406 210277264 /nfs/dbraw/zinc/27/72/64/210277264.db2.gz HMXBWGMMGHJHRQ-UHFFFAOYSA-N 1 0 340.492 3.560 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)c1 ZINC000004746272 210269203 /nfs/dbraw/zinc/26/92/03/210269203.db2.gz MNMXLLKHUOPZLN-QFIPXVFZSA-N 1 0 348.490 3.792 50 0 EHAARO Cc1occc1C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000057586247 257853716 /nfs/dbraw/zinc/85/37/16/257853716.db2.gz ZXSNPQNOTHYVSU-IYBDPMFKSA-N 1 0 340.467 3.996 50 0 EHAARO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)[C@@H]1C ZINC000006939345 257975774 /nfs/dbraw/zinc/97/57/74/257975774.db2.gz FOYBDPMGKFULCJ-DEICHXMPSA-N 1 0 325.880 3.632 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2ccc(NC)cc2)c1 ZINC000299790293 258096101 /nfs/dbraw/zinc/09/61/01/258096101.db2.gz ASIGXDHJENKHTF-HXUWFJFHSA-N 1 0 337.467 3.609 50 0 EHAARO CC1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000000465394 258048585 /nfs/dbraw/zinc/04/85/85/258048585.db2.gz IDFLLYMCUVPBPR-HXUWFJFHSA-N 1 0 325.452 3.825 50 0 EHAARO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000006939060 258052698 /nfs/dbraw/zinc/05/26/98/258052698.db2.gz RDXMGPSXXNKVNU-RBBKRZOGSA-N 1 0 339.479 3.948 50 0 EHAARO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000036398822 132391749 /nfs/dbraw/zinc/39/17/49/132391749.db2.gz XNEZVCYXYIRWQC-QFBILLFUSA-N 1 0 342.483 3.629 50 0 EHAARO Cc1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c(C)n1 ZINC000184432057 534092593 /nfs/dbraw/zinc/09/25/93/534092593.db2.gz SSJVBYOTMGDGQN-UHFFFAOYSA-N 1 0 339.483 3.515 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000237178078 536452200 /nfs/dbraw/zinc/45/22/00/536452200.db2.gz HYCVULZFQKKRND-KGLIPLIRSA-N 1 0 342.405 3.657 50 0 EHAARO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187478585 526661922 /nfs/dbraw/zinc/66/19/22/526661922.db2.gz IKGPIQDZDOUWSK-GFCCVEGCSA-N 1 0 348.796 3.659 50 0 EHAARO CCCCOc1c(Cl)cc(C[NH2+]C(C)(C)CO)cc1OCC ZINC000002863702 563457693 /nfs/dbraw/zinc/45/76/93/563457693.db2.gz MKNGOCGJZZHOPN-UHFFFAOYSA-N 1 0 329.868 3.778 50 0 EHAARO O=C(NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000000001567 563211399 /nfs/dbraw/zinc/21/13/99/563211399.db2.gz JXZZEXZZKAWDSP-UHFFFAOYSA-N 1 0 347.462 3.605 50 0 world EHAARO CCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000540242 563343777 /nfs/dbraw/zinc/34/37/77/563343777.db2.gz QGGNEDNGBGUYNC-LEWJYISDSA-N 1 0 325.452 3.998 50 0 EHAARO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 ZINC000001176450 563377665 /nfs/dbraw/zinc/37/76/65/563377665.db2.gz NWDPRYSTWUCESD-UHFFFAOYSA-N 1 0 347.256 3.910 50 0 EHAARO C[NH+](C)CCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn21 ZINC000002199115 563426641 /nfs/dbraw/zinc/42/66/41/563426641.db2.gz NYAAXUZGFFJCKL-UHFFFAOYSA-N 1 0 337.471 3.667 50 0 EHAARO C[C@@H]1CCC[C@H]([NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)C1 ZINC000004712149 563508881 /nfs/dbraw/zinc/50/88/81/563508881.db2.gz SVKBQAXMGBRMLF-KNQAVFIVSA-N 1 0 341.543 3.852 50 0 EHAARO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000006455105 563568456 /nfs/dbraw/zinc/56/84/56/563568456.db2.gz WQSJKFDKTGKSBV-XLIONFOSSA-N 1 0 325.452 3.825 50 0 EHAARO CCOCc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000071920229 563623261 /nfs/dbraw/zinc/62/32/61/563623261.db2.gz WLBZDTCZIINJIA-SFHVURJKSA-N 1 0 345.487 3.705 50 0 EHAARO Cc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2ccc(Cl)cc2)C1 ZINC000002966436 563624301 /nfs/dbraw/zinc/62/43/01/563624301.db2.gz ZERQQTWSMOZERL-HXUWFJFHSA-N 1 0 341.862 3.909 50 0 EHAARO Cc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000002966199 563624321 /nfs/dbraw/zinc/62/43/21/563624321.db2.gz CTSDKNYMHKHBBJ-HXUWFJFHSA-N 1 0 341.862 3.909 50 0 EHAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000013041895 563686442 /nfs/dbraw/zinc/68/64/42/563686442.db2.gz BGQYDTHROPMRNT-NSHDSACASA-N 1 0 336.357 3.956 50 0 EHAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1ccccc1Cl)C2 ZINC000014958660 563768615 /nfs/dbraw/zinc/76/86/15/563768615.db2.gz VMNCILNJBXNQTP-LJQANCHMSA-N 1 0 332.875 3.565 50 0 EHAARO COc1ccc(CN2CC[C@@H]([NH2+]C3CCCCCC3)CCC2=O)cc1 ZINC000014963199 563768735 /nfs/dbraw/zinc/76/87/35/563768735.db2.gz GJGRLSXSKIKOOY-IBGZPJMESA-N 1 0 344.499 3.889 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ccoc4)C3)C2)c1 ZINC000015070856 563776012 /nfs/dbraw/zinc/77/60/12/563776012.db2.gz CMVCBJTUTHQXKT-OAQYLSRUSA-N 1 0 338.451 3.716 50 0 EHAARO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000016599542 563815762 /nfs/dbraw/zinc/81/57/62/563815762.db2.gz WMDVTBDOZXABJB-KRWDZBQOSA-N 1 0 340.398 3.913 50 0 EHAARO O=C(NCC[NH+]1CCCCC1)c1sc2cc(F)ccc2c1Cl ZINC000016604286 563816562 /nfs/dbraw/zinc/81/65/62/563816562.db2.gz KFXHHTNCBXWVPO-UHFFFAOYSA-N 1 0 340.851 3.910 50 0 EHAARO Cc1scc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000016604234 563816604 /nfs/dbraw/zinc/81/66/04/563816604.db2.gz LLEXAOZADRPXSJ-UHFFFAOYSA-N 1 0 328.481 3.759 50 0 EHAARO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000016604844 563817113 /nfs/dbraw/zinc/81/71/13/563817113.db2.gz PORRSOJOMYJBLL-NRFANRHFSA-N 1 0 336.479 3.961 50 0 EHAARO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000020600042 563859792 /nfs/dbraw/zinc/85/97/92/563859792.db2.gz UUQMHHCHHWVABQ-IBGZPJMESA-N 1 0 345.506 3.745 50 0 EHAARO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCO1 ZINC000434009228 563866460 /nfs/dbraw/zinc/86/64/60/563866460.db2.gz WGZSAKBIWLMRRS-JKBKZWBZSA-N 1 0 339.483 3.956 50 0 EHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000024761657 563875424 /nfs/dbraw/zinc/87/54/24/563875424.db2.gz JKVYNXIAKCXHNV-UHFFFAOYSA-N 1 0 331.847 3.936 50 0 EHAARO Cc1ccc(C(=O)CCC(=O)Nc2ccccc2C[NH+](C)C)cc1C ZINC000024811696 563876091 /nfs/dbraw/zinc/87/60/91/563876091.db2.gz FQLXSQQEPIZUJH-UHFFFAOYSA-N 1 0 338.451 3.967 50 0 EHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccccc2COC)c1 ZINC000024928063 563877926 /nfs/dbraw/zinc/87/79/26/563877926.db2.gz KTZBUXUEXRVKCO-UHFFFAOYSA-N 1 0 326.440 3.927 50 0 EHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccccn2)cc1 ZINC000043506054 563890470 /nfs/dbraw/zinc/89/04/70/563890470.db2.gz SPTPSVKYXIHRNL-UHFFFAOYSA-N 1 0 345.446 3.740 50 0 EHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000027054979 563894560 /nfs/dbraw/zinc/89/45/60/563894560.db2.gz PKSZPQWPKGDGSB-QGZVFWFLSA-N 1 0 328.412 3.790 50 0 EHAARO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000072268669 563895338 /nfs/dbraw/zinc/89/53/38/563895338.db2.gz NMDKTLUXSYOYFM-CVEARBPZSA-N 1 0 343.496 3.662 50 0 EHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000028286863 563902037 /nfs/dbraw/zinc/90/20/37/563902037.db2.gz GWRHGPWVGYYTTH-OAHLLOKOSA-N 1 0 334.872 3.968 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(Cl)ccc1F ZINC000029840564 563908638 /nfs/dbraw/zinc/90/86/38/563908638.db2.gz AVLSZCHTKMLMAF-UHFFFAOYSA-N 1 0 346.833 3.657 50 0 EHAARO Brc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cs1 ZINC000030544004 563909990 /nfs/dbraw/zinc/90/99/90/563909990.db2.gz PLZBQVILPCZBJU-UHFFFAOYSA-N 1 0 326.215 3.529 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[NH2+]CC2(c3ccccc3)CC2)cc1 ZINC000030637610 563910172 /nfs/dbraw/zinc/91/01/72/563910172.db2.gz MHNSFNQHPAEELJ-UHFFFAOYSA-N 1 0 333.435 3.907 50 0 EHAARO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000176944144 563914291 /nfs/dbraw/zinc/91/42/91/563914291.db2.gz LURGALKAGPHZBM-UHFFFAOYSA-N 1 0 339.370 3.795 50 0 EHAARO Cc1ccc(C(C)C)c(COC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000033837738 563919404 /nfs/dbraw/zinc/91/94/04/563919404.db2.gz AXXJCUIXRRRGQT-NSHGMRRFSA-N 1 0 333.516 3.974 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2nccc3ccccc32)[NH+](C)C)cc1 ZINC000060322205 563928831 /nfs/dbraw/zinc/92/88/31/563928831.db2.gz FOJBWJFAGKXOLC-IBGZPJMESA-N 1 0 333.435 3.576 50 0 EHAARO Cc1ccccc1NC(=S)N1CCCN(Cc2ccc(F)cc2)C1 ZINC000013543553 563929843 /nfs/dbraw/zinc/92/98/43/563929843.db2.gz PCFYVQPMXRBNFB-UHFFFAOYSA-N 1 0 343.471 3.996 50 0 EHAARO Cc1nnc(SCC[C@H]2CCCC[N@H+]2C)n1-c1cccc(C)c1 ZINC000058024185 563936820 /nfs/dbraw/zinc/93/68/20/563936820.db2.gz PDAHQMRIDRJWME-MRXNPFEDSA-N 1 0 330.501 3.851 50 0 EHAARO Cc1ccc(C)c(OCCCCC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000058323129 563942527 /nfs/dbraw/zinc/94/25/27/563942527.db2.gz MGCMDWZEBJIGMH-UHFFFAOYSA-N 1 0 344.499 3.596 50 0 EHAARO Clc1ccccc1[C@H](CNC1=[NH+]CCN1)c1c[nH]c2ccccc21 ZINC000058340934 563942916 /nfs/dbraw/zinc/94/29/16/563942916.db2.gz QHDIRBWBYQYCEJ-HNNXBMFYSA-N 1 0 338.842 3.502 50 0 EHAARO Cc1c[nH+]ccc1-n1nc(-c2ccccc2)nc1Cc1cccc(O)c1 ZINC000063847754 563956176 /nfs/dbraw/zinc/95/61/76/563956176.db2.gz YVLGMUABFOCTAX-UHFFFAOYSA-N 1 0 342.402 3.934 50 0 EHAARO CC(=O)N1CCC([N@H+](C)Cc2sc3ccccc3c2Cl)CC1 ZINC000065369872 563958267 /nfs/dbraw/zinc/95/82/67/563958267.db2.gz DSCGVKFSFDKBAJ-UHFFFAOYSA-N 1 0 336.888 3.997 50 0 EHAARO Cc1ccnc([C@@H]([NH2+]CCC(=O)N2CCCc3ccccc32)C2CC2)c1 ZINC000065370234 563958331 /nfs/dbraw/zinc/95/83/31/563958331.db2.gz RRYWLCVIMOTLDA-QFIPXVFZSA-N 1 0 349.478 3.800 50 0 EHAARO CC(=O)N1CCCC[C@@H]1C1=CCC[N@H+](CCSc2ccccc2)C1 ZINC000065397696 563959728 /nfs/dbraw/zinc/95/97/28/563959728.db2.gz QTRYGUGNMDETSI-HXUWFJFHSA-N 1 0 344.524 3.812 50 0 EHAARO CC[N@@H+]1CCC[C@@H](c2nccn2-c2ccc3nc(C)sc3c2)C1 ZINC000065466397 563961257 /nfs/dbraw/zinc/96/12/57/563961257.db2.gz VGWGFAMQUPVLPV-CQSZACIVSA-N 1 0 326.469 3.990 50 0 EHAARO CC(=O)N1CCCC[C@@H]1C1=CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000065470470 563961441 /nfs/dbraw/zinc/96/14/41/563961441.db2.gz UWAQMKBGLBSQGH-HXUWFJFHSA-N 1 0 330.447 3.667 50 0 EHAARO CN(Cc1cc2ccccc2s1)C(=O)CC[C@H]1CCC[N@H+](C)C1 ZINC000065508999 563961776 /nfs/dbraw/zinc/96/17/76/563961776.db2.gz VGMSVGKAZBSKOT-OAHLLOKOSA-N 1 0 330.497 3.982 50 0 EHAARO O=c1c2cc(Cl)ccc2[nH]c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000033129293 563963644 /nfs/dbraw/zinc/96/36/44/563963644.db2.gz XRBXGUYEIVKOQE-UHFFFAOYSA-N 1 0 342.801 3.879 50 0 EHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000077286220 563968717 /nfs/dbraw/zinc/96/87/17/563968717.db2.gz HRXUQPWXZUOYKB-HNNXBMFYSA-N 1 0 339.418 3.627 50 0 EHAARO Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077303156 563968879 /nfs/dbraw/zinc/96/88/79/563968879.db2.gz NUJHLHXPXACRET-FQEVSTJZSA-N 1 0 349.482 3.822 50 0 EHAARO Cn1c2ccccc2nc1-c1nccn1Cc1ccccc1C[NH+](C)C ZINC000077376789 563969206 /nfs/dbraw/zinc/96/92/06/563969206.db2.gz MVMDGYMQGNYJSJ-UHFFFAOYSA-N 1 0 345.450 3.547 50 0 EHAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000077390916 563969371 /nfs/dbraw/zinc/96/93/71/563969371.db2.gz POTAMZRJBLAKTG-HNNXBMFYSA-N 1 0 341.484 3.780 50 0 EHAARO CCn1c(CN(C)C)nnc1C1CC[NH+](C2CCCCCCC2)CC1 ZINC000077419799 563969508 /nfs/dbraw/zinc/96/95/08/563969508.db2.gz FBTJRNVVMMSOEA-UHFFFAOYSA-N 1 0 347.551 3.652 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000077469825 563969799 /nfs/dbraw/zinc/96/97/99/563969799.db2.gz WVYKVDUOYMFYSA-OAHLLOKOSA-N 1 0 334.891 3.748 50 0 EHAARO CC(C)C[C@H](O)C1CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000077519312 563970157 /nfs/dbraw/zinc/97/01/57/563970157.db2.gz ZPMLMZGXENPGGU-KRWDZBQOSA-N 1 0 345.512 3.824 50 0 EHAARO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000077538189 563970271 /nfs/dbraw/zinc/97/02/71/563970271.db2.gz OGULGTCNOMRSIM-HNNXBMFYSA-N 1 0 338.854 3.846 50 0 EHAARO Cc1c(F)cccc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082147098 563972686 /nfs/dbraw/zinc/97/26/86/563972686.db2.gz JNLKZPOPGIFMHD-UHFFFAOYSA-N 1 0 339.414 3.533 50 0 EHAARO Cc1cc(C)c(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c(C)c1 ZINC000225568460 563975010 /nfs/dbraw/zinc/97/50/10/563975010.db2.gz XNSYJYDIHLMQSC-SFHVURJKSA-N 1 0 346.540 3.559 50 0 EHAARO COc1ncc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)c(OC)n1 ZINC000096161797 563979834 /nfs/dbraw/zinc/97/98/34/563979834.db2.gz FOGHGDKDJQFJJI-AWEZNQCLSA-N 1 0 327.428 3.708 50 0 EHAARO COCC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCCC2)CCC1 ZINC000097475451 563981587 /nfs/dbraw/zinc/98/15/87/563981587.db2.gz BXCKTXYVFUAFTL-IBGZPJMESA-N 1 0 344.499 3.537 50 0 EHAARO CS[C@@H]1CCCCCCCC[C@@H]2COC[C@H]2[C@@H]1[NH+]1CCOCC1 ZINC000247808147 563981790 /nfs/dbraw/zinc/98/17/90/563981790.db2.gz BAGWWHWHYXXQCV-MKXGPGLRSA-N 1 0 341.561 3.816 50 0 biogenic EHAARO CC1(C)C[C@H]([NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)C(C)(C)O1 ZINC000119862811 563983849 /nfs/dbraw/zinc/98/38/49/563983849.db2.gz OOESEILRBRBCCC-ZDUSSCGKSA-N 1 0 335.835 3.826 50 0 EHAARO COc1cc(C[NH2+][C@@H]2CCCc3ccccc32)cc(OC)c1OC ZINC000000169426 563987510 /nfs/dbraw/zinc/98/75/10/563987510.db2.gz MYNIKCMGSZIZQP-QGZVFWFLSA-N 1 0 327.424 3.880 50 0 EHAARO CC(=O)N1CCC([NH2+]CC[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000072743054 563999922 /nfs/dbraw/zinc/99/99/22/563999922.db2.gz NYNNENPMPSHAOU-CYBMUJFWSA-N 1 0 342.405 3.800 50 0 EHAARO C[NH2+][C@H](C(=O)c1ccc(Br)cc1)[C@H](OC)c1ccccc1 ZINC000061886108 564002284 /nfs/dbraw/zinc/00/22/84/564002284.db2.gz YPTXQQNKIBOVCU-NVXWUHKLSA-N 1 0 348.240 3.608 50 0 EHAARO COc1ccc(-c2ccc(SCC[NH+]3CCCCC3)nn2)cc1 ZINC000005410565 564003716 /nfs/dbraw/zinc/00/37/16/564003716.db2.gz OMUDDDKJDSJLPJ-UHFFFAOYSA-N 1 0 329.469 3.730 50 0 EHAARO Fc1ccccc1CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000000757653 564012926 /nfs/dbraw/zinc/01/29/26/564012926.db2.gz LQERKHMCNKOQQA-UHFFFAOYSA-N 1 0 326.459 3.665 50 0 EHAARO O[C@](c1ccccc1)(c1ccc(Cl)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000000499786 564018441 /nfs/dbraw/zinc/01/84/41/564018441.db2.gz UNTIDFUYZYGXBI-VQTJNVASSA-N 1 0 327.855 3.918 50 0 EHAARO O=C(/C=C/c1ccc(F)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477265 564024214 /nfs/dbraw/zinc/02/42/14/564024214.db2.gz ZGQYUXOCQWLWJX-MZEUMTGBSA-N 1 0 342.414 3.775 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)c1ccncc1 ZINC000181605295 564024324 /nfs/dbraw/zinc/02/43/24/564024324.db2.gz OZPBMGFWLFRILD-NEPJUHHUSA-N 1 0 348.244 3.522 50 0 EHAARO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000195555036 564026502 /nfs/dbraw/zinc/02/65/02/564026502.db2.gz ICDDYFHTTLZTDW-CQSZACIVSA-N 1 0 326.415 3.670 50 0 EHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000107340594 564026868 /nfs/dbraw/zinc/02/68/68/564026868.db2.gz NJJLBHFGSABEQL-CRAIPNDOSA-N 1 0 333.435 3.733 50 0 EHAARO Clc1cccc(-c2cnc(C[N@H+](C[C@H]3CCOC3)C3CC3)o2)c1 ZINC000044938032 564027807 /nfs/dbraw/zinc/02/78/07/564027807.db2.gz JXKRCEVSJMOYJW-CYBMUJFWSA-N 1 0 332.831 3.996 50 0 EHAARO COc1ccc([C@H](O)[C@@H](C)[NH2+]C[C@H](C)CCc2ccccc2)cc1 ZINC000108167152 564027945 /nfs/dbraw/zinc/02/79/45/564027945.db2.gz IGRHVBKHDHJSGM-CBGDNZLLSA-N 1 0 327.468 3.976 50 0 EHAARO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c(Br)c1 ZINC000108490447 564028302 /nfs/dbraw/zinc/02/83/02/564028302.db2.gz SGKAVXBGEIDYGJ-WOPDTQHZSA-N 1 0 328.250 3.533 50 0 EHAARO CC[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1OC ZINC000045463430 564028462 /nfs/dbraw/zinc/02/84/62/564028462.db2.gz PSFUUDTYOGHLLN-SFHVURJKSA-N 1 0 347.503 3.566 50 0 EHAARO Cc1oc(-c2ccccc2)nc1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000048261124 564030298 /nfs/dbraw/zinc/03/02/98/564030298.db2.gz LFSWGJDVPQMKPD-QGZVFWFLSA-N 1 0 325.412 3.636 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)cc1F ZINC000024084131 564036404 /nfs/dbraw/zinc/03/64/04/564036404.db2.gz XAHFBURMWRTUIA-GFCCVEGCSA-N 1 0 349.402 3.711 50 0 EHAARO Cc1cn2c(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)c(C)nc2s1 ZINC000222089794 564036737 /nfs/dbraw/zinc/03/67/37/564036737.db2.gz IJCMEEVLYUYNTH-GDBMZVCRSA-N 1 0 345.468 3.694 50 0 EHAARO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2ccccc2n1 ZINC000124480539 564051352 /nfs/dbraw/zinc/05/13/52/564051352.db2.gz YMOZQZRNJWPJKY-UHFFFAOYSA-N 1 0 347.462 3.959 50 0 EHAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1ccccn1)Nc1ccccc1F ZINC000252483796 564053431 /nfs/dbraw/zinc/05/34/31/564053431.db2.gz FINQUSWUJONYTJ-GOSISDBHSA-N 1 0 327.403 3.777 50 0 EHAARO O=C(/C=C/c1ccccc1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971570 564058862 /nfs/dbraw/zinc/05/88/62/564058862.db2.gz NPSNRBWTYPTUAH-VOTSOKGWSA-N 1 0 340.492 3.790 50 0 EHAARO Cc1ccccc1N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012553676 564059208 /nfs/dbraw/zinc/05/92/08/564059208.db2.gz LBSCYPNHIWPYBT-UHFFFAOYSA-N 1 0 332.451 3.503 50 0 EHAARO CC[C@H]([NH2+]C1CCN(c2cccc(OC)c2)CC1)c1cccnc1 ZINC000534590688 564061227 /nfs/dbraw/zinc/06/12/27/564061227.db2.gz LSHFPGUAJXJRHS-FQEVSTJZSA-N 1 0 325.456 3.800 50 0 EHAARO CC[NH+](CC)CC1(NC(=O)N(Cc2ccccc2Cl)C2CC2)CC1 ZINC000534665451 564061539 /nfs/dbraw/zinc/06/15/39/564061539.db2.gz NLRNRDXMILWTCV-UHFFFAOYSA-N 1 0 349.906 3.888 50 0 EHAARO Cc1nnc([C@H](C)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000338271970 564065311 /nfs/dbraw/zinc/06/53/11/564065311.db2.gz CAFNUFOHQLFTCI-CABCVRRESA-N 1 0 336.549 3.884 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000084736376 564069934 /nfs/dbraw/zinc/06/99/34/564069934.db2.gz JURFAVRHTWMNKQ-QAPCUYQASA-N 1 0 327.472 3.541 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1Cc1ccccc1 ZINC000084789176 564070201 /nfs/dbraw/zinc/07/02/01/564070201.db2.gz XABICZPELXZPLY-IBGZPJMESA-N 1 0 337.467 3.883 50 0 EHAARO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000015831692 564075936 /nfs/dbraw/zinc/07/59/36/564075936.db2.gz WGRQMMDUBANGTF-KRWDZBQOSA-N 1 0 341.430 3.512 50 0 EHAARO C[C@@H]1C[C@@H](NC(=O)c2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000075106047 564080077 /nfs/dbraw/zinc/08/00/77/564080077.db2.gz PQTXWSZLVXTREA-ZBFHGGJFSA-N 1 0 344.405 3.748 50 0 EHAARO Cn1cc([C@H](CNC(=O)/C=C/c2ccccc2)[NH+](C)C)c2ccccc21 ZINC000075149154 564080808 /nfs/dbraw/zinc/08/08/08/564080808.db2.gz QVDNSMGECMXYPO-ARKBFRDHSA-N 1 0 347.462 3.611 50 0 EHAARO Cc1ncc([C@H](C)NCc2cc3c(cc2OC(F)F)OCO3)s1 ZINC000090419275 564084369 /nfs/dbraw/zinc/08/43/69/564084369.db2.gz HBPPSYNDLUWLES-QMMMGPOBSA-N 1 0 342.367 3.632 50 0 EHAARO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc3c1OCCCO3)CCC2 ZINC000090546650 564084677 /nfs/dbraw/zinc/08/46/77/564084677.db2.gz VGIVYVPKGLNSFR-AWEZNQCLSA-N 1 0 330.453 3.780 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006455036 564087854 /nfs/dbraw/zinc/08/78/54/564087854.db2.gz IESQPBKYIUAJGX-XLIONFOSSA-N 1 0 325.452 3.968 50 0 EHAARO Cc1nnc(CCCN2C[C@@H](c3ccccc3Cl)OCC2(C)C)o1 ZINC000092796693 564089021 /nfs/dbraw/zinc/08/90/21/564089021.db2.gz SDCAPRHPNRSQBA-INIZCTEOSA-N 1 0 349.862 3.816 50 0 EHAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)s1 ZINC000089286808 564089223 /nfs/dbraw/zinc/08/92/23/564089223.db2.gz GSJLIUJTOLBUPC-HUUCEWRRSA-N 1 0 345.512 3.781 50 0 EHAARO Clc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCc4nncn4C3)o2)cc1 ZINC000075605614 564089794 /nfs/dbraw/zinc/08/97/94/564089794.db2.gz ADFCWKXNVGLTLQ-ZDUSSCGKSA-N 1 0 342.830 3.544 50 0 EHAARO CC(C)c1noc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192077247 564090007 /nfs/dbraw/zinc/09/00/07/564090007.db2.gz HPGPYDITURIIHT-DZGCQCFKSA-N 1 0 339.798 3.605 50 0 EHAARO CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccc(OC)cc2C)cc1 ZINC000426534055 564094027 /nfs/dbraw/zinc/09/40/27/564094027.db2.gz LXEXKBDQCVRHLZ-UHFFFAOYSA-N 1 0 340.467 3.694 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cnccn1 ZINC000155223986 564098106 /nfs/dbraw/zinc/09/81/06/564098106.db2.gz NQVAGKRYEBEHLF-LBPRGKRZSA-N 1 0 347.344 3.532 50 0 EHAARO CC1CC[NH+](CCNc2nc(-c3ccncc3)nc3ccccc32)CC1 ZINC000065488568 564106351 /nfs/dbraw/zinc/10/63/51/564106351.db2.gz MYRGGWRRKQFVKT-UHFFFAOYSA-N 1 0 347.466 3.836 50 0 EHAARO CC(C)[NH2+]C1CCN([C@H](C)C(=O)Nc2cccc3ccccc32)CC1 ZINC000065550669 564107415 /nfs/dbraw/zinc/10/74/15/564107415.db2.gz CXEYIBCKSKLOLO-MRXNPFEDSA-N 1 0 339.483 3.629 50 0 EHAARO Cc1nc(C)c([C@@H](C)[NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)s1 ZINC000065575381 564107650 /nfs/dbraw/zinc/10/76/50/564107650.db2.gz YVQGAHUGSAMPHI-LLVKDONJSA-N 1 0 335.521 3.534 50 0 EHAARO CCOCCC[N@@H+]1Cc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2C1 ZINC000065588722 564107865 /nfs/dbraw/zinc/10/78/65/564107865.db2.gz ZQOFPCKGQHBHEY-MRXNPFEDSA-N 1 0 328.456 3.724 50 0 EHAARO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C)cc1Br ZINC000007486515 564108854 /nfs/dbraw/zinc/10/88/54/564108854.db2.gz CIUIHGTVHWEKJS-GFCCVEGCSA-N 1 0 325.250 3.570 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2c3cc(C)c(C)nc3oc21 ZINC000071283886 564110867 /nfs/dbraw/zinc/11/08/67/564110867.db2.gz CWFVVFNOPMENQZ-UHFFFAOYSA-N 1 0 327.432 3.532 50 0 EHAARO C[C@@H](c1cccnc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000071819434 564111206 /nfs/dbraw/zinc/11/12/06/564111206.db2.gz VYLQBLPVNJVJBE-KRWDZBQOSA-N 1 0 332.451 3.509 50 0 EHAARO Cc1nc(CCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cs1 ZINC000089712373 564113400 /nfs/dbraw/zinc/11/34/00/564113400.db2.gz HGDKZPIJAGBYPS-UHFFFAOYSA-N 1 0 338.436 3.563 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000089949110 564115813 /nfs/dbraw/zinc/11/58/13/564115813.db2.gz OOORNHGEQDVECP-BBRMVZONSA-N 1 0 349.544 3.567 50 0 EHAARO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)c2cc1C ZINC000252514489 564120265 /nfs/dbraw/zinc/12/02/65/564120265.db2.gz CPQHCQLMUCIOGS-YSGRDPCXSA-N 1 0 341.451 3.655 50 0 EHAARO O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc2nccn2c1 ZINC000170651829 564120525 /nfs/dbraw/zinc/12/05/25/564120525.db2.gz HQHDIRNBUIWSBF-UHFFFAOYSA-N 1 0 325.343 3.657 50 0 EHAARO c1c[nH]c([C@@H]([NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c2cccnc2)n1 ZINC000195126153 564122810 /nfs/dbraw/zinc/12/28/10/564122810.db2.gz SLQKEOXTHUTSDC-SXLOBPIMSA-N 1 0 332.451 3.895 50 0 EHAARO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2)[C@H]2CCCC[C@@]12O ZINC000252624703 564123207 /nfs/dbraw/zinc/12/32/07/564123207.db2.gz PTHIWJYDLMJRBA-MBDNFAEBSA-N 1 0 337.463 3.668 50 0 EHAARO C[C@H]([NH2+]CC[S@@](=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000195558323 564123731 /nfs/dbraw/zinc/12/37/31/564123731.db2.gz OYYAXAILFKUAOA-WIUDPPPLSA-N 1 0 343.279 3.847 50 0 EHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2F)C[C@H]1C ZINC000252671053 564124837 /nfs/dbraw/zinc/12/48/37/564124837.db2.gz MNPAUIWVVPKAOQ-YPMHNXCESA-N 1 0 327.831 3.816 50 0 EHAARO CC[C@H](Sc1ccccc1)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000253417819 564130789 /nfs/dbraw/zinc/13/07/89/564130789.db2.gz MAZIMXRLHJJTJY-RYRKJORJSA-N 1 0 332.513 3.643 50 0 EHAARO Cc1ccc(C)c(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000020218770 564139063 /nfs/dbraw/zinc/13/90/63/564139063.db2.gz CMNVBHHREHSQNL-FQEVSTJZSA-N 1 0 344.886 3.812 50 0 EHAARO Cc1sc2ncnc(N[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)c2c1C ZINC000095467623 564141134 /nfs/dbraw/zinc/14/11/34/564141134.db2.gz LKXVICHOVBNYEP-CVEARBPZSA-N 1 0 338.480 3.818 50 0 EHAARO CCn1c(C[NH2+]Cc2ccc(-n3cccn3)cc2)nc2ccccc21 ZINC000095468451 564141167 /nfs/dbraw/zinc/14/11/67/564141167.db2.gz NLQOGZLKQZIPSL-UHFFFAOYSA-N 1 0 331.423 3.532 50 0 EHAARO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(-n2cccn2)c1 ZINC000095968782 564143279 /nfs/dbraw/zinc/14/32/79/564143279.db2.gz NSVVRVFFNNNXGI-QGZVFWFLSA-N 1 0 347.466 3.587 50 0 EHAARO CCc1noc(CC)c1C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000095969156 564143324 /nfs/dbraw/zinc/14/33/24/564143324.db2.gz UDEZXHWSRCWWOS-CQSZACIVSA-N 1 0 343.471 3.923 50 0 EHAARO OCC1CC[NH+](Cc2ccc(NCc3cc(F)cc(F)c3)cc2)CC1 ZINC000096484934 564148672 /nfs/dbraw/zinc/14/86/72/564148672.db2.gz PIGUWZJYVBEGQS-UHFFFAOYSA-N 1 0 346.421 3.781 50 0 EHAARO C[C@H](C[N@@H+]1CCC[C@H]1c1nncn1C)c1ccc(C(F)(F)F)cc1 ZINC000283324376 564148902 /nfs/dbraw/zinc/14/89/02/564148902.db2.gz OXJVSTILDSUQJO-DOMZBBRYSA-N 1 0 338.377 3.775 50 0 EHAARO c1n[nH]cc1C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000097202824 564149537 /nfs/dbraw/zinc/14/95/37/564149537.db2.gz NICGZTPCRFUGHM-UHFFFAOYSA-N 1 0 348.450 3.763 50 0 EHAARO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]C[C@@H]2CCCO2)c2ccccc2)c1 ZINC000057024234 564153183 /nfs/dbraw/zinc/15/31/83/564153183.db2.gz LICCBYYCFOWXFY-VQTJNVASSA-N 1 0 338.451 3.752 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000003292705 564157083 /nfs/dbraw/zinc/15/70/83/564157083.db2.gz ZZHSRMSYRWWEDN-CQSZACIVSA-N 1 0 339.464 3.797 50 0 EHAARO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3C=CCC3)cc2)CC1 ZINC000031201414 564159157 /nfs/dbraw/zinc/15/91/57/564159157.db2.gz GPSXCAVYOUKDJR-SFHVURJKSA-N 1 0 326.484 3.891 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC)cc1)c1ccsc1 ZINC000031987798 564160340 /nfs/dbraw/zinc/16/03/40/564160340.db2.gz JIYZQHGUVZUUEU-KRWDZBQOSA-N 1 0 332.469 3.570 50 0 EHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2sccc2Cl)C1 ZINC000670460041 564160998 /nfs/dbraw/zinc/16/09/98/564160998.db2.gz DCJRVGPPLCYONB-CQSZACIVSA-N 1 0 348.899 3.929 50 0 EHAARO Cc1csc2nc(C[N@@H+](C)[C@H]3CCCc4ccccc43)cc(=O)n12 ZINC000007988368 564161917 /nfs/dbraw/zinc/16/19/17/564161917.db2.gz FUBOTKKOYJQDHI-KRWDZBQOSA-N 1 0 339.464 3.574 50 0 EHAARO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000008533239 564165615 /nfs/dbraw/zinc/16/56/15/564165615.db2.gz BOBNILHPUQNFFV-MRXNPFEDSA-N 1 0 326.440 3.853 50 0 EHAARO COc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613188 564166067 /nfs/dbraw/zinc/16/60/67/564166067.db2.gz QLCDFECZNMTUHE-GOSISDBHSA-N 1 0 330.472 3.566 50 0 EHAARO COc1cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)ccc1SC ZINC000245344059 564169142 /nfs/dbraw/zinc/16/91/42/564169142.db2.gz XEWIRZVHMURKLR-MOFZMDFASA-N 1 0 329.465 3.726 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000069564899 564170490 /nfs/dbraw/zinc/17/04/90/564170490.db2.gz CVGSPRLFJLVKSJ-UHFFFAOYSA-N 1 0 345.393 3.723 50 0 EHAARO Cc1ccc2nc(C)cc(C(=O)N3CCC[C@H](n4ccnc4)C3)c2c1 ZINC000069657062 564171247 /nfs/dbraw/zinc/17/12/47/564171247.db2.gz MYMAKMXMBJRQMA-INIZCTEOSA-N 1 0 334.423 3.525 50 0 EHAARO CC[C@](C)(O)C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000069667154 564171392 /nfs/dbraw/zinc/17/13/92/564171392.db2.gz AXTUCMGSEUBQHI-IBGZPJMESA-N 1 0 346.858 3.843 50 0 EHAARO CCC[C@]1(CO)CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000288961051 1017536273 /nfs/dbraw/zinc/53/62/73/1017536273.db2.gz YENYNUCJJKMRDI-SFHVURJKSA-N 1 0 334.460 3.934 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)Cc2ccccc2)CC1 ZINC000257188985 1032724383 /nfs/dbraw/zinc/72/43/83/1032724383.db2.gz NHYUCVGVAMJARM-HXUWFJFHSA-N 1 0 328.500 3.732 50 0 EHAARO CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261937862 1021484017 /nfs/dbraw/zinc/48/40/17/1021484017.db2.gz WZNYFQZZIMAVKZ-GOSISDBHSA-N 1 0 346.515 3.585 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000006937186 1030103931 /nfs/dbraw/zinc/10/39/31/1030103931.db2.gz RJDRSELFTKMTNZ-KBPBESRZSA-N 1 0 332.271 3.998 50 0 EHAARO c1cc(-c2nc(CO[C@@H]3CCC[N@H+](CC4CCCCC4)C3)no2)co1 ZINC000257175965 1034665776 /nfs/dbraw/zinc/66/57/76/1034665776.db2.gz ACUDOGKKUCZSHT-QGZVFWFLSA-N 1 0 345.443 3.891 50 0 EHAARO COc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)CC1 ZINC000257181216 1038413660 /nfs/dbraw/zinc/41/36/60/1038413660.db2.gz FGSPJWUWDDDXTO-GOSISDBHSA-N 1 0 344.499 3.669 50 0 EHAARO COc1ccc2[nH]c3c(c2c1)CCNC31CC[NH+](C2CCCC2)CC1 ZINC000257191233 1038525867 /nfs/dbraw/zinc/52/58/67/1038525867.db2.gz PNRWROQTQWRDMG-UHFFFAOYSA-N 1 0 339.483 3.556 50 0 EHAARO c1cc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc2c1OCO2 ZINC000022078093 1039713975 /nfs/dbraw/zinc/71/39/75/1039713975.db2.gz KHJGVIHWNXKXPN-GHTZIAJQSA-N 1 0 342.483 3.644 50 0 EHAARO Clc1cccc([C@@H](Cc2cccnc2)[NH2+]CC2=CCCOC2)c1 ZINC000348208979 1040319057 /nfs/dbraw/zinc/31/90/57/1040319057.db2.gz VRSQMWACOIHDAR-LJQANCHMSA-N 1 0 328.843 3.955 50 0 EHAARO COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCC2(O)CCC2)cc1 ZINC000421864868 1041946035 /nfs/dbraw/zinc/94/60/35/1041946035.db2.gz YEMGPAKNZXSSOM-FQEVSTJZSA-N 1 0 340.467 3.659 50 0 EHAARO COc1ccc(CC[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1OC ZINC000023283014 1043001555 /nfs/dbraw/zinc/00/15/55/1043001555.db2.gz QHJPNAYLIFGVDK-HNNXBMFYSA-N 1 0 329.440 3.563 50 0 EHAARO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)c(-n2cc(Cl)cn2)n1 ZINC000527696839 1127587749 /nfs/dbraw/zinc/58/77/49/1127587749.db2.gz KTYYXQGSHVWUIP-ZLIFDBKOSA-N 1 0 330.863 3.753 50 0 EHAARO Fc1cc2c(cc1Cl)[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)CC2 ZINC000527858585 1127600588 /nfs/dbraw/zinc/60/05/88/1127600588.db2.gz LKKLJOCKEVVXTK-GUYCJALGSA-N 1 0 346.837 3.515 50 0 EHAARO CCN1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257196598 1128149202 /nfs/dbraw/zinc/14/92/02/1128149202.db2.gz YNHQCRDCSDHNRX-FQEVSTJZSA-N 1 0 338.499 3.562 50 0 EHAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CC(C)(C)C)C3)C2=O)c1 ZINC000011879583 1129108216 /nfs/dbraw/zinc/10/82/16/1129108216.db2.gz MIAWKOBTKOWPFI-OAQYLSRUSA-N 1 0 344.499 3.556 50 0 EHAARO C1=CC[C@H](C[N@@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)CC1 ZINC000012717791 1129455019 /nfs/dbraw/zinc/45/50/19/1129455019.db2.gz HWAYNOZDDDKJOU-AWEZNQCLSA-N 1 0 338.407 3.785 50 0 EHAARO Cc1cc(NC(=O)C[C@@H]2CCCC[N@H+]2C)ccc1NC(=O)C(C)(C)C ZINC000827807195 1131406827 /nfs/dbraw/zinc/40/68/27/1131406827.db2.gz WYUWZQZBQDBGLU-INIZCTEOSA-N 1 0 345.487 3.793 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)s1 ZINC000012429982 1129923203 /nfs/dbraw/zinc/92/32/03/1129923203.db2.gz VWWJAYJVECUUSL-HNNXBMFYSA-N 1 0 330.453 3.862 50 0 EHAARO Cc1cc(C)cc(N2CCC([NH2+]Cc3cncn3CC(C)C)CC2)c1 ZINC000821502185 1130938211 /nfs/dbraw/zinc/93/82/11/1130938211.db2.gz REZVGURIKFZZBE-UHFFFAOYSA-N 1 0 340.515 3.915 50 0 EHAARO Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)CC2)c1 ZINC000581787966 1132355939 /nfs/dbraw/zinc/35/59/39/1132355939.db2.gz MKHRXOJENLECSR-LJQANCHMSA-N 1 0 328.500 3.969 50 0 EHAARO COc1ccc(C(=O)N2CCCCC[C@@H]2C[NH+]2CCC(C)CC2)cc1 ZINC000581787838 1132356572 /nfs/dbraw/zinc/35/65/72/1132356572.db2.gz DWHWOJDZXPQTAU-LJQANCHMSA-N 1 0 344.499 3.812 50 0 EHAARO O=C(NC1(CC2CC2)CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000581811054 1132370562 /nfs/dbraw/zinc/37/05/62/1132370562.db2.gz MMMVVWPRUSAKCK-UHFFFAOYSA-N 1 0 349.478 3.646 50 0 EHAARO COc1ccc(C(=O)N2CCC(n3c(C)c[nH+]c3C3CC3)CC2)cc1 ZINC000581808744 1132371364 /nfs/dbraw/zinc/37/13/64/1132371364.db2.gz JNPBWCKQMJICAF-UHFFFAOYSA-N 1 0 339.439 3.555 50 0 EHAARO COc1cccc(C[N@@H+]2CC[C@@H](n3c(C)cnc3-c3ccccc3)C2)n1 ZINC000581808366 1132371490 /nfs/dbraw/zinc/37/14/90/1132371490.db2.gz SGOAFLSRDBMWIR-LJQANCHMSA-N 1 0 348.450 3.709 50 0 EHAARO OC[C@@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1Cl ZINC000585083662 1136970166 /nfs/dbraw/zinc/97/01/66/1136970166.db2.gz YXUXPFIXBQEUGI-CYBMUJFWSA-N 1 0 332.806 3.826 50 0 EHAARO Cc1ccc([C@@H]2CN(Cc3ccc(-n4ccnc4)cc3C)CCO2)o1 ZINC000192130368 1137020826 /nfs/dbraw/zinc/02/08/26/1137020826.db2.gz MNGIAXKKSADPFX-FQEVSTJZSA-N 1 0 337.423 3.656 50 0 EHAARO CC(C)(C)c1cc(C[NH2+][C@H]2CCCN(Cc3cccs3)C2)[nH]n1 ZINC000952965005 1137484027 /nfs/dbraw/zinc/48/40/27/1137484027.db2.gz CMKGHGNKPBZWLT-AWEZNQCLSA-N 1 0 332.517 3.523 50 0 EHAARO Oc1cccc(CN2CCC[C@H]([NH2+]Cc3ccc(Cl)s3)C2)c1 ZINC000952984832 1137485318 /nfs/dbraw/zinc/48/53/18/1137485318.db2.gz NWPGHNYRQVMUPU-AWEZNQCLSA-N 1 0 336.888 3.861 50 0 EHAARO CC[N@H+](C)C1(CNc2nccc(-c3cccnc3)n2)CCCCC1 ZINC000097635105 219042647 /nfs/dbraw/zinc/04/26/47/219042647.db2.gz BDRPBHVYOOYZDH-UHFFFAOYSA-N 1 0 325.460 3.605 50 0 EHAARO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000053233563 214171156 /nfs/dbraw/zinc/17/11/56/214171156.db2.gz IZRZBAAFLPJAGZ-ZDUSSCGKSA-N 1 0 327.815 3.541 50 0 EHAARO COc1ccc([C@H]([NH2+]Cc2cccc3c2OCCO3)C2CC2)cc1 ZINC000054173170 214222470 /nfs/dbraw/zinc/22/24/70/214222470.db2.gz HZJOHJDBSNAJPL-LJQANCHMSA-N 1 0 325.408 3.707 50 0 EHAARO Cc1cc(C)c(C[NH2+]Cc2c[nH]nc2-c2cccs2)c(C)c1CO ZINC000055090862 214272106 /nfs/dbraw/zinc/27/21/06/214272106.db2.gz BVTIWPPWPRMUCJ-UHFFFAOYSA-N 1 0 341.480 3.846 50 0 EHAARO CC(C)c1nc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)co1 ZINC000097743238 219053814 /nfs/dbraw/zinc/05/38/14/219053814.db2.gz VQXPOSDMOOQKRE-GOSISDBHSA-N 1 0 327.472 3.752 50 0 EHAARO CCOc1cccc(C[N@H+](CCO)Cc2cccc3cnccc32)c1 ZINC000055183274 214285630 /nfs/dbraw/zinc/28/56/30/214285630.db2.gz MWCQYJCXPVTBQG-UHFFFAOYSA-N 1 0 336.435 3.628 50 0 EHAARO Cn1c(C[NH+]2CCCCC2)nc2cc(NCc3ccncc3)ccc21 ZINC000004625758 210233124 /nfs/dbraw/zinc/23/31/24/210233124.db2.gz ZYBYZWHUZOBKTD-UHFFFAOYSA-N 1 0 335.455 3.566 50 0 EHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C=C\c2cnccn2)cc1 ZINC000098055107 219074660 /nfs/dbraw/zinc/07/46/60/219074660.db2.gz REDINWVELYUWCN-YDZSZYSISA-N 1 0 336.439 3.503 50 0 EHAARO Cc1cc2sc(N(CC[NH+](C)C)C(=O)c3ccco3)nc2c(C)c1 ZINC000004359391 210180247 /nfs/dbraw/zinc/18/02/47/210180247.db2.gz VZDSALPOEDZPJX-UHFFFAOYSA-N 1 0 343.452 3.715 50 0 EHAARO CC(C)CC[C@H](CC(=O)NCCC[NH+](C)C)[C@@H]1CCOC(C)(C)C1 ZINC000004086835 210116973 /nfs/dbraw/zinc/11/69/73/210116973.db2.gz CPICHSROJFREMV-QZTJIDSGSA-N 1 0 340.552 3.702 50 0 biogenic EHAARO C[NH+](C)CCCn1c2ccccc2nc1NC(=O)C1CCCCC1 ZINC000004042859 210108115 /nfs/dbraw/zinc/10/81/15/210108115.db2.gz ZDBUAKRDJWNFCB-UHFFFAOYSA-N 1 0 328.460 3.507 50 0 EHAARO O=C(C[NH+]1CCCCCCC1)Nc1cccc(Br)c1 ZINC000003538880 210050937 /nfs/dbraw/zinc/05/09/37/210050937.db2.gz IVZRBUPTOHYTOM-UHFFFAOYSA-N 1 0 325.250 3.654 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1(c2ccccc2)CC1 ZINC000003336362 210010192 /nfs/dbraw/zinc/01/01/92/210010192.db2.gz ZNVUFQLMPWRXLQ-GOSISDBHSA-N 1 0 338.451 3.655 50 0 EHAARO Cc1cc2c(c(-c3ccc(-c4csc(N)n4)cc3)c1)O[C@@H](C[NH3+])C2 ZINC000067688537 215183730 /nfs/dbraw/zinc/18/37/30/215183730.db2.gz YTUHTSQFSCSHQS-OAHLLOKOSA-N 1 0 337.448 3.630 50 0 EHAARO CCc1c[nH]nc1C1CC[NH+](Cc2ccc(-n3cccn3)cc2C)CC1 ZINC000067691120 215186145 /nfs/dbraw/zinc/18/61/45/215186145.db2.gz MPBXMRZXUCKRHZ-UHFFFAOYSA-N 1 0 349.482 3.846 50 0 EHAARO C[N@@H+]1CCCC2(CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)CC1 ZINC000067757211 215205319 /nfs/dbraw/zinc/20/53/19/215205319.db2.gz HFVAGGAGQLXEAZ-UHFFFAOYSA-N 1 0 325.456 3.506 50 0 EHAARO Cc1ccsc1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067805940 215217647 /nfs/dbraw/zinc/21/76/47/215217647.db2.gz BZLZKFQHLBRZRF-UHFFFAOYSA-N 1 0 328.481 3.793 50 0 EHAARO CC(C)C[N@@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067842552 215226742 /nfs/dbraw/zinc/22/67/42/215226742.db2.gz DRAJDHVANKNHPC-UHFFFAOYSA-N 1 0 332.831 3.958 50 0 EHAARO Cc1ccc2[nH]c(=O)c(C[NH+]3CCC(c4cccc(O)c4)CC3)cc2c1 ZINC000067974771 215263814 /nfs/dbraw/zinc/26/38/14/215263814.db2.gz MCPJYEZKLGDPBT-UHFFFAOYSA-N 1 0 348.446 3.922 50 0 EHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000067973691 215263816 /nfs/dbraw/zinc/26/38/16/215263816.db2.gz BJUWBAPLVKOJSB-INIZCTEOSA-N 1 0 343.434 3.984 50 0 EHAARO CCOCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000002178114 209826823 /nfs/dbraw/zinc/82/68/23/209826823.db2.gz ITJUEEFHEQFJNS-UHFFFAOYSA-N 1 0 347.430 3.930 50 0 EHAARO O=C(NCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069385633 215397210 /nfs/dbraw/zinc/39/72/10/215397210.db2.gz PNNGRGWCWSXMLK-SFHVURJKSA-N 1 0 328.843 3.621 50 0 EHAARO Cc1ccsc1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040476402 213313148 /nfs/dbraw/zinc/31/31/48/213313148.db2.gz OKWLOPQOGUBULK-HNNXBMFYSA-N 1 0 347.484 3.628 50 0 EHAARO Cn1ccc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000040286930 213288975 /nfs/dbraw/zinc/28/89/75/213288975.db2.gz UKYUOBKIZKKCJU-UHFFFAOYSA-N 1 0 347.462 3.573 50 0 EHAARO O[C@@H](C[NH2+]Cc1cccc(Br)c1)c1ccc(F)cc1F ZINC000040088604 213261143 /nfs/dbraw/zinc/26/11/43/213261143.db2.gz REYGKFIFCVQYIN-HNNXBMFYSA-N 1 0 342.183 3.551 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc2c(c1)CCCC2)c1ccsc1 ZINC000040071005 213258326 /nfs/dbraw/zinc/25/83/26/213258326.db2.gz BLEPJJCDUXESJO-LJQANCHMSA-N 1 0 342.508 3.589 50 0 EHAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000039279942 213232971 /nfs/dbraw/zinc/23/29/71/213232971.db2.gz IKXRYRDZRMVKTC-UHFFFAOYSA-N 1 0 328.243 3.769 50 0 EHAARO Cc1ccc(C[N@H+](C[C@@H](O)COc2ccccc2C)CC2CC2)o1 ZINC000036098017 213064701 /nfs/dbraw/zinc/06/47/01/213064701.db2.gz SVJKIYGCGLWADM-GOSISDBHSA-N 1 0 329.440 3.548 50 0 EHAARO CC(C)c1cc(NC2CC[NH+](Cc3ccco3)CC2)n2nccc2n1 ZINC000072154306 216043550 /nfs/dbraw/zinc/04/35/50/216043550.db2.gz KCYLWSNKKIWZBF-UHFFFAOYSA-N 1 0 339.443 3.522 50 0 EHAARO CC[C@H](Nc1nc(-c2cccnc2)nc2c1C[NH2+]C2)c1cccs1 ZINC000072159227 216049320 /nfs/dbraw/zinc/04/93/20/216049320.db2.gz NSWXNKUVFSZGIJ-AWEZNQCLSA-N 1 0 337.452 3.767 50 0 EHAARO CC(C)c1ncc2c(n1)C[N@@H+](CCCc1nc3ccccc3o1)CC2 ZINC000072268541 216089225 /nfs/dbraw/zinc/08/92/25/216089225.db2.gz IXJZKIBDYQUUCQ-UHFFFAOYSA-N 1 0 336.439 3.732 50 0 EHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3cccnc32)C[C@@H]1C ZINC000072305954 216144345 /nfs/dbraw/zinc/14/43/45/216144345.db2.gz VZOPXZFACAUSQX-HOCLYGCPSA-N 1 0 326.444 3.571 50 0 EHAARO CN(Cc1cccc2cccnc21)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072438613 216234311 /nfs/dbraw/zinc/23/43/11/216234311.db2.gz DUGRBIZJYWYQIW-KRWDZBQOSA-N 1 0 345.446 3.584 50 0 EHAARO O=C(c1cc[nH]c1)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072479555 216258827 /nfs/dbraw/zinc/25/88/27/216258827.db2.gz SZCZHLHOFQQPPV-NRFANRHFSA-N 1 0 337.467 3.533 50 0 EHAARO Cc1nc[nH]c1C[NH2+][C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000023373604 212372670 /nfs/dbraw/zinc/37/26/70/212372670.db2.gz NUTMYJCJTPTFHC-FQEVSTJZSA-N 1 0 340.515 3.671 50 0 EHAARO c1ccc2sc(NCC3([NH+]4CCOCC4)CCCCC3)nc2c1 ZINC000023296148 212366169 /nfs/dbraw/zinc/36/61/69/212366169.db2.gz NGTUYSAHTGJPFE-UHFFFAOYSA-N 1 0 331.485 3.743 50 0 EHAARO Cc1cccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000023128069 212352442 /nfs/dbraw/zinc/35/24/42/212352442.db2.gz GIJVPMSREHARJT-UHFFFAOYSA-N 1 0 342.508 3.627 50 0 EHAARO COc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc(OC)c1OC ZINC000022784721 212323277 /nfs/dbraw/zinc/32/32/77/212323277.db2.gz KIKDHBHAMGRPIH-LLVKDONJSA-N 1 0 337.366 3.841 50 0 EHAARO CC[NH+](CC)CCCNC(=O)c1c(C)noc1-c1ccccc1Cl ZINC000022340146 212292425 /nfs/dbraw/zinc/29/24/25/212292425.db2.gz KPIYIXWOFPBMLQ-UHFFFAOYSA-N 1 0 349.862 3.765 50 0 EHAARO FC(F)Oc1ccc(C[NH+]2CCC(CCn3cccn3)CC2)cc1 ZINC000215116064 241107489 /nfs/dbraw/zinc/10/74/89/241107489.db2.gz CALHCESNQKAVOO-UHFFFAOYSA-N 1 0 335.398 3.787 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000215830045 241150216 /nfs/dbraw/zinc/15/02/16/241150216.db2.gz BFVMJXCCSYMPKN-QGZVFWFLSA-N 1 0 349.482 3.807 50 0 EHAARO C[N@@H+](Cc1cnc(C2CCCCC2)nc1)C[C@@H](O)c1ccccc1 ZINC000215492856 241127997 /nfs/dbraw/zinc/12/79/97/241127997.db2.gz JBMUJBUFGYWXDR-LJQANCHMSA-N 1 0 325.456 3.690 50 0 EHAARO Cc1nn(C)c(Cl)c1CN[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000020994275 212194593 /nfs/dbraw/zinc/19/45/93/212194593.db2.gz OTBUPNIAZRXRPY-MRXNPFEDSA-N 1 0 338.927 3.516 50 0 EHAARO Cc1nc(CC[NH+]2CCC(Oc3ccccc3F)CC2)c(C)s1 ZINC000020601854 212151409 /nfs/dbraw/zinc/15/14/09/212151409.db2.gz MDBHJILNUYVHFH-UHFFFAOYSA-N 1 0 334.460 3.985 50 0 EHAARO C/C=C/c1ccc(OCCCC[NH+]2CCN(CC)CC2)c(OC)c1 ZINC000020406358 212125865 /nfs/dbraw/zinc/12/58/65/212125865.db2.gz NEYNGVZPWCJUMP-XBXARRHUSA-N 1 0 332.488 3.525 50 0 EHAARO COCc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)o1 ZINC000020206186 212112578 /nfs/dbraw/zinc/11/25/78/212112578.db2.gz BHVJUKDYKHRGCC-LJQANCHMSA-N 1 0 342.483 3.565 50 0 EHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3c(C)nn(C)c3Cl)c2c1 ZINC000019798241 212070309 /nfs/dbraw/zinc/07/03/09/212070309.db2.gz DBPUQLYFQJDLNC-UHFFFAOYSA-N 1 0 346.862 3.513 50 0 EHAARO Cc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)c2cccs2)cc1 ZINC000078725980 217109138 /nfs/dbraw/zinc/10/91/38/217109138.db2.gz LHXUSGKUSRRYOD-KXBFYZLASA-N 1 0 328.481 3.604 50 0 EHAARO CC[C@@H](C(=O)NCc1ccc(F)cc1C(F)(F)F)[NH+](CC)CC ZINC000078820427 217128414 /nfs/dbraw/zinc/12/84/14/217128414.db2.gz RUBHBXCILBXBKS-AWEZNQCLSA-N 1 0 334.357 3.581 50 0 EHAARO CCCC(=O)NC[C@@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000079096756 217191966 /nfs/dbraw/zinc/19/19/66/217191966.db2.gz NMJACQAIYVSXGV-AWEZNQCLSA-N 1 0 329.419 3.507 50 0 EHAARO CC(C)(C)c1nnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000079241582 217202141 /nfs/dbraw/zinc/20/21/41/217202141.db2.gz POOROAJJVGVHTL-UHFFFAOYSA-N 1 0 344.484 3.684 50 0 EHAARO O=C(NCc1csc2ccccc12)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079437287 217225008 /nfs/dbraw/zinc/22/50/08/217225008.db2.gz LQFCPLHZMFFFOS-INIZCTEOSA-N 1 0 343.496 3.671 50 0 EHAARO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000080960530 217344417 /nfs/dbraw/zinc/34/44/17/217344417.db2.gz SJPPVDJSRIFZNX-CABCVRRESA-N 1 0 337.427 3.709 50 0 EHAARO CCSC1(C[NH2+]Cc2cc(F)cc3cccnc32)CCOCC1 ZINC000089274839 217781962 /nfs/dbraw/zinc/78/19/62/217781962.db2.gz VQVOUORYCYARRJ-UHFFFAOYSA-N 1 0 334.460 3.766 50 0 EHAARO CC(C)=CC[NH+]1CCC(n2nccc2NC(=O)c2ccccc2)CC1 ZINC000012387473 211364481 /nfs/dbraw/zinc/36/44/81/211364481.db2.gz RILOLMXTRWSTGY-UHFFFAOYSA-N 1 0 338.455 3.739 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000089948842 217894100 /nfs/dbraw/zinc/89/41/00/217894100.db2.gz UMYKZNGJNGDQOQ-KXBFYZLASA-N 1 0 340.467 3.868 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012297465 211335063 /nfs/dbraw/zinc/33/50/63/211335063.db2.gz TVJZRFHGDMTJAR-QPHYPNAHSA-N 1 0 330.447 3.606 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 ZINC000012289061 211333768 /nfs/dbraw/zinc/33/37/68/211333768.db2.gz ZPAXXNYDPJXTDT-UJERFKDHSA-N 1 0 335.532 3.558 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012195333 211317148 /nfs/dbraw/zinc/31/71/48/211317148.db2.gz AUHZWIZHOOCUEG-IAILITGJSA-N 1 0 348.437 3.746 50 0 EHAARO Brc1cccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000011903970 211266416 /nfs/dbraw/zinc/26/64/16/211266416.db2.gz AQFDSGSUWAPKTL-NSHDSACASA-N 1 0 340.246 3.549 50 0 EHAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1c(F)cccc1F ZINC000011879661 211264742 /nfs/dbraw/zinc/26/47/42/211264742.db2.gz IDMPOWYRPFJRSO-CQSZACIVSA-N 1 0 336.426 3.882 50 0 EHAARO CN(C(=O)c1ccsc1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011838311 211253664 /nfs/dbraw/zinc/25/36/64/211253664.db2.gz AKSOMMXJJMZYOK-SFHVURJKSA-N 1 0 328.481 3.527 50 0 EHAARO Cc1cccnc1[C@H]([NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)C1CC1 ZINC000091707687 218052634 /nfs/dbraw/zinc/05/26/34/218052634.db2.gz VAVAUBAAKOWQMU-HXUWFJFHSA-N 1 0 337.398 3.612 50 0 EHAARO Cc1nc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)cs1 ZINC000091663898 218043338 /nfs/dbraw/zinc/04/33/38/218043338.db2.gz JVTCYPCKGQXCHD-IBGZPJMESA-N 1 0 347.528 3.599 50 0 EHAARO CNc1cc(C)[nH+]c(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)n1 ZINC000091746114 218058051 /nfs/dbraw/zinc/05/80/51/218058051.db2.gz MCERRWBYJJFDBV-KRWDZBQOSA-N 1 0 346.438 3.773 50 0 EHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3ncccn3)CC2)C1 ZINC000092028541 218106253 /nfs/dbraw/zinc/10/62/53/218106253.db2.gz DVYJDMDTZSQOGP-IBGZPJMESA-N 1 0 336.483 3.573 50 0 EHAARO COc1ccc2[nH]cc(C3CC[NH+](CC4=CCCOC4)CC3)c2c1 ZINC000092474589 218143317 /nfs/dbraw/zinc/14/33/17/218143317.db2.gz HNMPOCPIHCJKEU-UHFFFAOYSA-N 1 0 326.440 3.703 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 ZINC000010383790 211168670 /nfs/dbraw/zinc/16/86/70/211168670.db2.gz ZPAXXNYDPJXTDT-ANZGBMJUSA-N 1 0 335.532 3.558 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000092648537 218155737 /nfs/dbraw/zinc/15/57/37/218155737.db2.gz FCUCBAABKLJSDB-UHFFFAOYSA-N 1 0 335.455 3.523 50 0 EHAARO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)c1 ZINC000093512934 218228313 /nfs/dbraw/zinc/22/83/13/218228313.db2.gz ZVQVVNFIOLFELW-GBXCKJPGSA-N 1 0 342.508 3.827 50 0 EHAARO CCc1ccccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095353545 218287068 /nfs/dbraw/zinc/28/70/68/218287068.db2.gz FNNLTGSFDWSIME-IEBWSBKVSA-N 1 0 326.484 3.586 50 0 EHAARO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062838 211037469 /nfs/dbraw/zinc/03/74/69/211037469.db2.gz NBBPDNDVTWZLON-UHFFFAOYSA-N 1 0 330.378 3.816 50 0 EHAARO CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095376986 218309988 /nfs/dbraw/zinc/30/99/88/218309988.db2.gz RVNTWHOUUIULNV-FQEVSTJZSA-N 1 0 344.499 3.704 50 0 EHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095383218 218315569 /nfs/dbraw/zinc/31/55/69/218315569.db2.gz KLVKBIHENKDIFO-QGZVFWFLSA-N 1 0 328.460 3.668 50 0 EHAARO CC(=O)NC1CCN(c2cc(C)[nH+]c3c(C)cc(Cl)cc23)CC1 ZINC000095397622 218329596 /nfs/dbraw/zinc/32/95/96/218329596.db2.gz QHKZNLGDSJRUPL-UHFFFAOYSA-N 1 0 331.847 3.610 50 0 EHAARO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000095419634 218359301 /nfs/dbraw/zinc/35/93/01/218359301.db2.gz DPUQFDLPCQSLCP-FOIQADDNSA-N 1 0 326.440 3.553 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc2ccccc2o1 ZINC000095419776 218359632 /nfs/dbraw/zinc/35/96/32/218359632.db2.gz IDBPEBHISNCAJJ-OAHLLOKOSA-N 1 0 332.407 3.923 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)c1 ZINC000095420148 218361042 /nfs/dbraw/zinc/36/10/42/218361042.db2.gz CSIIXBDSCOYFDY-MRXNPFEDSA-N 1 0 348.450 3.741 50 0 EHAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(CS(C)(=O)=O)cc1 ZINC000095420591 218361480 /nfs/dbraw/zinc/36/14/80/218361480.db2.gz AMWPFLOGBFBAJX-HOTGVXAUSA-N 1 0 331.481 3.513 50 0 EHAARO COc1ccc([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)cc1F ZINC000095421787 218364409 /nfs/dbraw/zinc/36/44/09/218364409.db2.gz HJPPSUNPCXBTMH-ZDUSSCGKSA-N 1 0 330.403 3.686 50 0 EHAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccco3)=NN12 ZINC000005093514 210388711 /nfs/dbraw/zinc/38/87/11/210388711.db2.gz MXRQAXFUOCNCPK-KRWDZBQOSA-N 1 0 337.423 3.635 50 0 EHAARO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005049364 210374765 /nfs/dbraw/zinc/37/47/65/210374765.db2.gz KIBFEGUFVBIKGE-RBBKRZOGSA-N 1 0 348.446 3.939 50 0 EHAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(OCc2cscn2)c1 ZINC000097232279 219001434 /nfs/dbraw/zinc/00/14/34/219001434.db2.gz RSFMYZBQSDGGRT-GLJUWKHASA-N 1 0 331.485 3.863 50 0 EHAARO CCCCSc1ncc(C[N@@H+]2CCCC3(CCOCC3)C2)cn1 ZINC000097474941 219027994 /nfs/dbraw/zinc/02/79/94/219027994.db2.gz MKAURNXVMBFFLJ-UHFFFAOYSA-N 1 0 335.517 3.761 50 0 EHAARO [NH3+]Cc1ccc(-c2nc(C3CCOCC3)nn2C2CCCCC2)cc1 ZINC000097522098 219032583 /nfs/dbraw/zinc/03/25/83/219032583.db2.gz LHQTYCJTZNLQPM-UHFFFAOYSA-N 1 0 340.471 3.803 50 0 EHAARO C=CC(=O)N(Cc1ccc(OCCC(C)C)cc1)CC(C)(C)[NH+](C)C ZINC000328597227 258041818 /nfs/dbraw/zinc/04/18/18/258041818.db2.gz GAUHJOMDQGIMCS-UHFFFAOYSA-N 1 0 346.515 3.966 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000299739915 258010137 /nfs/dbraw/zinc/01/01/37/258010137.db2.gz SUMMZYBDXVPSDQ-GHYVTOPFSA-N 1 0 341.282 3.683 50 0 EHAARO CC[N@H+](C)C[C@@H](C)CNC(=O)c1cccc(-c2ccccc2F)c1 ZINC000299785331 258092507 /nfs/dbraw/zinc/09/25/07/258092507.db2.gz XTUNGZRRJOVDCW-HNNXBMFYSA-N 1 0 328.431 3.810 50 0 EHAARO CC1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000000465393 258048518 /nfs/dbraw/zinc/04/85/18/258048518.db2.gz IDFLLYMCUVPBPR-FQEVSTJZSA-N 1 0 325.452 3.825 50 0 EHAARO O=C(NCCc1ccccc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299764721 258079985 /nfs/dbraw/zinc/07/99/85/258079985.db2.gz CYDFWWSQQJXDIV-HBMCJLEFSA-N 1 0 334.463 3.571 50 0 EHAARO COc1ccccc1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000055506912 132195318 /nfs/dbraw/zinc/19/53/18/132195318.db2.gz MVSVSSNIVKKDNY-UHFFFAOYSA-N 1 0 346.858 3.550 50 0 EHAARO CC(C)CC[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccoc1 ZINC000225632170 519692721 /nfs/dbraw/zinc/69/27/21/519692721.db2.gz VCRFXZCPTHJABP-IBGZPJMESA-N 1 0 343.471 3.778 50 0 EHAARO CC(C)(C)CN1c2ccccc2NC2(CC[NH+](C3CCC3)CC2)C1=O ZINC000055119130 534606232 /nfs/dbraw/zinc/60/62/32/534606232.db2.gz NBZOGWONCUDUKS-UHFFFAOYSA-N 1 0 341.499 3.878 50 0 EHAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C)cc2)C(C)C)cc1 ZINC000036101798 524967556 /nfs/dbraw/zinc/96/75/56/524967556.db2.gz ZIICZZHFRJTGLM-IBGZPJMESA-N 1 0 343.467 3.654 50 0 EHAARO Cc1sc2ncnc(N3CC[NH+](C)CC3)c2c1-c1ccc(C)cc1 ZINC000000038309 526900947 /nfs/dbraw/zinc/90/09/47/526900947.db2.gz JWNAVOOUSZPJMQ-UHFFFAOYSA-N 1 0 338.480 3.727 50 0 EHAARO CSc1ccc(Cl)c(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000007985228 564161802 /nfs/dbraw/zinc/16/18/02/564161802.db2.gz PVECMYSIIAPPIH-UHFFFAOYSA-N 1 0 328.909 3.911 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]Cc2ccco2)CCCC1 ZINC000000571512 563350073 /nfs/dbraw/zinc/35/00/73/563350073.db2.gz MBTWEJUGMXHIQX-MRXNPFEDSA-N 1 0 338.451 3.572 50 0 EHAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000000819331 563364424 /nfs/dbraw/zinc/36/44/24/563364424.db2.gz OGOAEEDTJSGHKD-UHFFFAOYSA-N 1 0 340.442 3.663 50 0 EHAARO CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)C[NH2+]C ZINC000001844838 563414254 /nfs/dbraw/zinc/41/42/54/563414254.db2.gz IKACRWYHQXOSGM-DYESRHJHSA-N 1 0 325.452 3.933 50 0 endogenous,in-man EHAARO [NH3+]C[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002585680 563443636 /nfs/dbraw/zinc/44/36/36/563443636.db2.gz ITGBZJASSQWWSB-OAHLLOKOSA-N 1 0 336.435 3.749 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccccc3C)c2)C1 ZINC000034670279 563445199 /nfs/dbraw/zinc/44/51/99/563445199.db2.gz YRTHSKCKWZELPZ-SFHVURJKSA-N 1 0 338.451 3.832 50 0 EHAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000002735053 563447689 /nfs/dbraw/zinc/44/76/89/563447689.db2.gz NCLWIIMTAPDZEN-IBGZPJMESA-N 1 0 340.442 3.696 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000043181977 563598980 /nfs/dbraw/zinc/59/89/80/563598980.db2.gz QLCCKCIBFFVEPO-AWEZNQCLSA-N 1 0 337.895 3.821 50 0 EHAARO Cc1ccc(-c2cc(C(=O)NCCC[NH+](C)C)c3ccccc3n2)cc1 ZINC000002773872 563614388 /nfs/dbraw/zinc/61/43/88/563614388.db2.gz OCICLGQZYBMUFL-UHFFFAOYSA-N 1 0 347.462 3.892 50 0 EHAARO Cc1sc2nc(-c3cccs3)nc(N3CC[NH+](C)CC3)c2c1C ZINC000012809394 563674482 /nfs/dbraw/zinc/67/44/82/563674482.db2.gz MWTMUVLMVRIGJI-UHFFFAOYSA-N 1 0 344.509 3.788 50 0 EHAARO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCC[C@H]1CO ZINC000013596150 563703204 /nfs/dbraw/zinc/70/32/04/563703204.db2.gz UNOYRSBANJKEAG-AWEZNQCLSA-N 1 0 340.345 3.626 50 0 EHAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)c1 ZINC000032759518 563726499 /nfs/dbraw/zinc/72/64/99/563726499.db2.gz AFQMRVHDMVDPDE-CQSZACIVSA-N 1 0 331.847 3.811 50 0 EHAARO COc1ccc2cc(C[N@H+](C)Cc3ccc(C(N)=O)cc3)ccc2c1 ZINC000014014984 563735683 /nfs/dbraw/zinc/73/56/83/563735683.db2.gz GRSVUMVMVYOOSH-UHFFFAOYSA-N 1 0 334.419 3.579 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)CCc1ccc(Cl)cc1 ZINC000032845839 563762021 /nfs/dbraw/zinc/76/20/21/563762021.db2.gz PDZVCRYLWBKIAI-UHFFFAOYSA-N 1 0 330.859 3.651 50 0 EHAARO COC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccc(Cl)c2)C1 ZINC000014975909 563769490 /nfs/dbraw/zinc/76/94/90/563769490.db2.gz XADNDNHPSSWZDH-CQSZACIVSA-N 1 0 333.863 3.599 50 0 EHAARO O=C(CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)N1CCCC1 ZINC000014980668 563770141 /nfs/dbraw/zinc/77/01/41/563770141.db2.gz WHOABUVMZYVSCR-ONEGZZNKSA-N 1 0 344.474 3.954 50 0 EHAARO CCCCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032909424 563802190 /nfs/dbraw/zinc/80/21/90/563802190.db2.gz PCVFRUGRMKCJCO-UHFFFAOYSA-N 1 0 337.895 3.794 50 0 EHAARO c1coc(-c2cccc(N3CCC([NH2+]CC4CCOCC4)CC3)c2)c1 ZINC000023379641 563866468 /nfs/dbraw/zinc/86/64/68/563866468.db2.gz XIGYXAMOZCKRQG-UHFFFAOYSA-N 1 0 340.467 3.932 50 0 EHAARO CC[NH+](CC)C[C@@H](NC(=O)NCc1ccccc1)c1ccccc1 ZINC000025091148 563880857 /nfs/dbraw/zinc/88/08/57/563880857.db2.gz VNAXDZWFLDNNBV-LJQANCHMSA-N 1 0 325.456 3.569 50 0 EHAARO CCCOc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000025720127 563887688 /nfs/dbraw/zinc/88/76/88/563887688.db2.gz BXRXUOSHAUSXRT-MRXNPFEDSA-N 1 0 332.469 3.570 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccsc1 ZINC000026149319 563890161 /nfs/dbraw/zinc/89/01/61/563890161.db2.gz ISBVGNRWMSLRCY-ROUUACIJSA-N 1 0 343.496 3.801 50 0 EHAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000026299588 563890841 /nfs/dbraw/zinc/89/08/41/563890841.db2.gz QCHYFPRHVLVHIN-AWEZNQCLSA-N 1 0 333.395 3.602 50 0 EHAARO c1ccc2c(c1)CCN2Cc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000030639870 563910132 /nfs/dbraw/zinc/91/01/32/563910132.db2.gz XDMONLKDUOWFOK-UHFFFAOYSA-N 1 0 329.447 3.934 50 0 EHAARO c1ncn(Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)n1 ZINC000030634192 563910147 /nfs/dbraw/zinc/91/01/47/563910147.db2.gz FDFJTACENFUHTI-UHFFFAOYSA-N 1 0 328.419 3.769 50 0 EHAARO Fc1ccc(-c2ccc(C[NH2+]Cc3cccnc3-n3cccn3)o2)cc1 ZINC000030902249 563911607 /nfs/dbraw/zinc/91/16/07/563911607.db2.gz FEGZBVJAVUWCHP-UHFFFAOYSA-N 1 0 348.381 3.956 50 0 EHAARO Cc1ccc2c(ncn(CC[C@@H]3CCCC[N@H+]3C(C)C)c2=O)c1C ZINC000032573451 563913941 /nfs/dbraw/zinc/91/39/41/563913941.db2.gz PWAVOEVOHDVBFV-KRWDZBQOSA-N 1 0 327.472 3.666 50 0 EHAARO COc1ccc2c(c1)Sc1ccccc1C[C@H]2[NH+]1CCN(C)CC1 ZINC000033755600 563916430 /nfs/dbraw/zinc/91/64/30/563916430.db2.gz SSAVPTLEYGLACB-GOSISDBHSA-N 1 0 340.492 3.691 50 0 EHAARO Cc1cc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)ccc1F ZINC000072310912 563918267 /nfs/dbraw/zinc/91/82/67/563918267.db2.gz RYLGWDBGUOBNFH-UHFFFAOYSA-N 1 0 328.431 3.703 50 0 EHAARO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](CCC(C)C)CC3)n2)cc1 ZINC000058217651 563940088 /nfs/dbraw/zinc/94/00/88/563940088.db2.gz ASHFIDLLZDEFAV-QGZVFWFLSA-N 1 0 342.487 3.770 50 0 EHAARO Cc1ccsc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000058324419 563942534 /nfs/dbraw/zinc/94/25/34/563942534.db2.gz AQEXEPFDDVGHMW-UHFFFAOYSA-N 1 0 334.510 3.760 50 0 EHAARO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCc2ccco2)CC1 ZINC000096414849 563951008 /nfs/dbraw/zinc/95/10/08/563951008.db2.gz RASFREMWCIWYBN-LJQANCHMSA-N 1 0 344.430 3.898 50 0 EHAARO CCc1nc(C)c(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]1 ZINC000065375193 563958718 /nfs/dbraw/zinc/95/87/18/563958718.db2.gz HNSFQRVKDBZTNP-PZJWPPBQSA-N 1 0 349.478 3.784 50 0 EHAARO O=C(NCC1=CC[N@@H+]([C@@H]2C=CCCC2)CC1)c1cccc(Cl)c1 ZINC000065398925 563959849 /nfs/dbraw/zinc/95/98/49/563959849.db2.gz VMYCGFSVCNKJLX-GOSISDBHSA-N 1 0 330.859 3.811 50 0 EHAARO CCCCc1c(-c2ccccc2)ncn1CC[N@@H+]1CCC[C@H](CO)C1 ZINC000065509005 563961790 /nfs/dbraw/zinc/96/17/90/563961790.db2.gz MQYNNNBPNFZQDJ-SFHVURJKSA-N 1 0 341.499 3.597 50 0 EHAARO CCCc1cnc(C)nc1N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000067834169 563962903 /nfs/dbraw/zinc/96/29/03/563962903.db2.gz NBIBZEXXPSDNCL-UHFFFAOYSA-N 1 0 349.482 3.541 50 0 EHAARO Cc1c2cc(C)ccc2oc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071763213 563965449 /nfs/dbraw/zinc/96/54/49/563965449.db2.gz OJCIRPURYGUMCD-UHFFFAOYSA-N 1 0 326.440 3.636 50 0 EHAARO CC(C)[C@H]1CN(c2cc[nH+]c3ccccc32)CCC(=O)N1CC1CC1 ZINC000071775745 563965775 /nfs/dbraw/zinc/96/57/75/563965775.db2.gz RLLVKSLZBPZHTG-HXUWFJFHSA-N 1 0 337.467 3.708 50 0 EHAARO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000097017125 563966800 /nfs/dbraw/zinc/96/68/00/563966800.db2.gz CZVJSCKEANEKML-QKLQHJQFSA-N 1 0 343.540 3.822 50 0 EHAARO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000097033503 563966854 /nfs/dbraw/zinc/96/68/54/563966854.db2.gz HBMKKIRQCLIKTB-MRXNPFEDSA-N 1 0 334.851 3.605 50 0 EHAARO Cc1cc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc[nH+]1 ZINC000097162109 563968415 /nfs/dbraw/zinc/96/84/15/563968415.db2.gz PLUDEKNWNYIAOF-MRXNPFEDSA-N 1 0 347.365 3.599 50 0 EHAARO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000337331495 563968677 /nfs/dbraw/zinc/96/86/77/563968677.db2.gz HHIHFFBQVYGZMB-HOTGVXAUSA-N 1 0 341.455 3.798 50 0 EHAARO COCCC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2F)c1 ZINC000077393284 563969351 /nfs/dbraw/zinc/96/93/51/563969351.db2.gz QIAWJWCWKGDFKL-QGZVFWFLSA-N 1 0 331.435 3.793 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1 ZINC000077555167 563970351 /nfs/dbraw/zinc/97/03/51/563970351.db2.gz LYVUPAARHDVIPD-HXUWFJFHSA-N 1 0 330.447 3.501 50 0 EHAARO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)c1cc2cc(Cl)ccc2o1 ZINC000097034620 563971210 /nfs/dbraw/zinc/97/12/10/563971210.db2.gz IGDNKLINJRCIMZ-SNVBAGLBSA-N 1 0 329.849 3.560 50 0 EHAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082135329 563972601 /nfs/dbraw/zinc/97/26/01/563972601.db2.gz SEHRQODLLBSTQD-GOSISDBHSA-N 1 0 325.456 3.681 50 0 EHAARO Cc1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)cs1 ZINC000096139894 563979501 /nfs/dbraw/zinc/97/95/01/563979501.db2.gz QJOVFFIAJWGTOH-GOSISDBHSA-N 1 0 343.496 3.799 50 0 EHAARO c1cc(C[NH+]2CCCCCC2)cc(-c2nc([C@H]3CCOC3)no2)c1 ZINC000096149780 563979627 /nfs/dbraw/zinc/97/96/27/563979627.db2.gz FQYHWSPRIHHILZ-KRWDZBQOSA-N 1 0 327.428 3.617 50 0 EHAARO CC1(C)C[C@@H]([NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)C(C)(C)O1 ZINC000119862984 563983838 /nfs/dbraw/zinc/98/38/38/563983838.db2.gz OOESEILRBRBCCC-CYBMUJFWSA-N 1 0 335.835 3.826 50 0 EHAARO CC(C)c1nccc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)n1 ZINC000107022075 563983993 /nfs/dbraw/zinc/98/39/93/563983993.db2.gz OAYHYHWQWLIFOQ-LJQANCHMSA-N 1 0 330.520 3.542 50 0 EHAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000000317607 563991042 /nfs/dbraw/zinc/99/10/42/563991042.db2.gz UPHINHVXBAAGKK-QGZVFWFLSA-N 1 0 344.499 3.556 50 0 EHAARO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000000317176 563991058 /nfs/dbraw/zinc/99/10/58/563991058.db2.gz AVLVRCOPRKBXPU-KRWDZBQOSA-N 1 0 344.499 3.556 50 0 EHAARO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCC[NH+]1CCCC1 ZINC000061030874 563992393 /nfs/dbraw/zinc/99/23/93/563992393.db2.gz UOCOEYFAAMGLFI-UHFFFAOYSA-N 1 0 346.906 3.636 50 0 EHAARO CC1([C@@H]2CCC[N@H+](CCCc3cncc4ccccc43)C2)OCCO1 ZINC000408514409 563992701 /nfs/dbraw/zinc/99/27/01/563992701.db2.gz YOHGHJVXONZQLU-LJQANCHMSA-N 1 0 340.467 3.642 50 0 EHAARO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccncc3Cl)cc21 ZINC000073112805 563994875 /nfs/dbraw/zinc/99/48/75/563994875.db2.gz OZTGPBYTYJPPOT-UHFFFAOYSA-N 1 0 342.830 3.504 50 0 EHAARO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)cc1C ZINC000127428013 563995972 /nfs/dbraw/zinc/99/59/72/563995972.db2.gz GTQCYWHRLCUOAP-SFHVURJKSA-N 1 0 345.508 3.959 50 0 EHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)ccc2Cl)C1 ZINC000179001314 563996345 /nfs/dbraw/zinc/99/63/45/563996345.db2.gz OUEUOMIYXLGFBR-AWEZNQCLSA-N 1 0 328.843 3.689 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000076056232 564000694 /nfs/dbraw/zinc/00/06/94/564000694.db2.gz FJJRPJUFZWEZTG-MKBNYLNASA-N 1 0 326.843 3.777 50 0 EHAARO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000179774971 564003128 /nfs/dbraw/zinc/00/31/28/564003128.db2.gz DHBYIIMHVQBPFY-GFCCVEGCSA-N 1 0 329.831 3.934 50 0 EHAARO COc1ccc(NC(=O)O[C@@H]2CCN3Cc4ccccc4N=C23)cc1 ZINC000000485822 564016993 /nfs/dbraw/zinc/01/69/93/564016993.db2.gz VNFDRPIDPODPFC-QGZVFWFLSA-N 1 0 337.379 3.562 50 0 biogenic EHAARO CSc1ccc([C@]2(O)Cc3cccc[n+]3[C@@H]2c2ccccc2)cc1 ZINC000000495524 564017965 /nfs/dbraw/zinc/01/79/65/564017965.db2.gz LLIBEQVYXSPFFD-NHCUHLMSSA-N 1 0 334.464 3.729 50 0 EHAARO Cc1cccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000005694613 564019147 /nfs/dbraw/zinc/01/91/47/564019147.db2.gz NXNIEGFAJLSPHK-UHFFFAOYSA-N 1 0 339.508 3.946 50 0 EHAARO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000102536803 564020147 /nfs/dbraw/zinc/02/01/47/564020147.db2.gz HPZFWZRVZYQFJM-IAGOWNOFSA-N 1 0 329.488 3.736 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1cccc(Cl)c1 ZINC000107524924 564026995 /nfs/dbraw/zinc/02/69/95/564026995.db2.gz XZQXVWMSMMXEEK-HUUCEWRRSA-N 1 0 345.874 3.811 50 0 EHAARO C[C@@H]1C[C@@H](Nc2cccc(C[S@@](C)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000108366542 564028195 /nfs/dbraw/zinc/02/81/95/564028195.db2.gz FEOVLFAYSJYCTK-MYRUOYEDSA-N 1 0 342.508 3.640 50 0 EHAARO C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccnc1 ZINC000108462353 564028233 /nfs/dbraw/zinc/02/82/33/564028233.db2.gz OLABQPSSDSFUMP-IXDOHACOSA-N 1 0 325.456 3.864 50 0 EHAARO Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000045743406 564028645 /nfs/dbraw/zinc/02/86/45/564028645.db2.gz RKHYHCSAKZAGGN-QZTJIDSGSA-N 1 0 343.515 3.647 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000048287055 564030509 /nfs/dbraw/zinc/03/05/09/564030509.db2.gz LAZMADIPOGCJSZ-NJYVYQBISA-N 1 0 340.511 3.875 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1 ZINC000048280117 564030656 /nfs/dbraw/zinc/03/06/56/564030656.db2.gz ZWEDJFGTSHSGJD-IBGZPJMESA-N 1 0 338.455 3.600 50 0 EHAARO Cc1ccccc1C[NH2+][C@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744714 564032158 /nfs/dbraw/zinc/03/21/58/564032158.db2.gz DIYDDLPPKACTSG-MRXNPFEDSA-N 1 0 338.451 3.503 50 0 EHAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000007437271 564034351 /nfs/dbraw/zinc/03/43/51/564034351.db2.gz IAKQUXNDZIGSNM-UHFFFAOYSA-N 1 0 326.415 3.660 50 0 EHAARO Cc1ccc([C@@H](OC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000008156711 564034771 /nfs/dbraw/zinc/03/47/71/564034771.db2.gz ZXXQEUVMQGBVGP-VXKWHMMOSA-N 1 0 339.479 3.948 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2c1C ZINC000024631221 564036577 /nfs/dbraw/zinc/03/65/77/564036577.db2.gz TYYOMDGLRQVPAL-KRWDZBQOSA-N 1 0 341.480 3.879 50 0 EHAARO COc1cccc([C@H]2c3cc(OC)c(OC)cc3C[NH2+]C2(C)C)c1 ZINC000039347023 564043682 /nfs/dbraw/zinc/04/36/82/564043682.db2.gz KQXZYSHVPPBVCM-IBGZPJMESA-N 1 0 327.424 3.726 50 0 EHAARO C[C@H](c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1)[NH+]1CCCC1 ZINC000426641422 564051442 /nfs/dbraw/zinc/05/14/42/564051442.db2.gz SRLAFUPDIDWAIX-OAHLLOKOSA-N 1 0 338.455 3.606 50 0 EHAARO CCc1cccc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)c1 ZINC000241720877 564052092 /nfs/dbraw/zinc/05/20/92/564052092.db2.gz QSZULDOZDDUVHT-UHFFFAOYSA-N 1 0 328.481 3.705 50 0 EHAARO CC(C)[C@@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)[NH+](C)C ZINC000025451386 564054415 /nfs/dbraw/zinc/05/44/15/564054415.db2.gz LEQRBIPOEJIQAF-OAHLLOKOSA-N 1 0 344.480 3.624 50 0 EHAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)Nc2cccc3nsnc32)c1 ZINC000019110599 564057778 /nfs/dbraw/zinc/05/77/78/564057778.db2.gz IZXXUWIJGDRRDV-ZDUSSCGKSA-N 1 0 340.452 3.597 50 0 EHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccs2)CC1 ZINC000012542177 564058739 /nfs/dbraw/zinc/05/87/39/564058739.db2.gz RWLRZDKPCQVEGA-UHFFFAOYSA-N 1 0 349.887 3.796 50 0 EHAARO Cc1cc(C[NH+]2CCC(CNC(=O)Nc3cccs3)CC2)c(C)o1 ZINC000043972969 564058914 /nfs/dbraw/zinc/05/89/14/564058914.db2.gz JLZITQIWLSJJGN-UHFFFAOYSA-N 1 0 347.484 3.992 50 0 EHAARO CC(C)[C@H](C)[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000073621938 564060858 /nfs/dbraw/zinc/06/08/58/564060858.db2.gz NWFNHOLCDKVKDT-ZDUSSCGKSA-N 1 0 329.893 3.623 50 0 EHAARO Cc1cc(-c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)cs1 ZINC000534659653 564061465 /nfs/dbraw/zinc/06/14/65/564061465.db2.gz HDBCCQLRJGTPGJ-UHFFFAOYSA-N 1 0 328.481 3.890 50 0 EHAARO Cc1ccc(CN(C(=O)NC[C@@H](C)C[NH+](C)C)C2CCCC2)s1 ZINC000534670851 564061587 /nfs/dbraw/zinc/06/15/87/564061587.db2.gz DEFJSCAPBYEZRI-CQSZACIVSA-N 1 0 337.533 3.708 50 0 EHAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000083877559 564064095 /nfs/dbraw/zinc/06/40/95/564064095.db2.gz ULHVKLFCEVLOFM-PMACEKPBSA-N 1 0 338.451 3.506 50 0 EHAARO Cn1cc(C[NH2+]C[C@@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000084314214 564067748 /nfs/dbraw/zinc/06/77/48/564067748.db2.gz ZBRCLYJDWNJLFG-SFHVURJKSA-N 1 0 332.451 3.692 50 0 EHAARO O=C(c1ccc2c(c1)CCCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000084451881 564068216 /nfs/dbraw/zinc/06/82/16/564068216.db2.gz PYXHMZIGBYHFKV-TZIWHRDSSA-N 1 0 338.495 3.654 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000084736158 564069907 /nfs/dbraw/zinc/06/99/07/564069907.db2.gz YDYFHXSTGXRCCL-JCGVRSQUSA-N 1 0 336.426 3.653 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@H](CC)C1 ZINC000084736292 564069937 /nfs/dbraw/zinc/06/99/37/564069937.db2.gz LMHYLWHTRGVYSU-PBHICJAKSA-N 1 0 344.455 3.568 50 0 EHAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)no1 ZINC000063619620 564073483 /nfs/dbraw/zinc/07/34/83/564073483.db2.gz NLNVVHCRUPDECH-KRWDZBQOSA-N 1 0 327.428 3.766 50 0 EHAARO CC[NH+](CC)Cc1ccc(NC(=O)Cc2ccccc2OC)cc1 ZINC000190535577 564073516 /nfs/dbraw/zinc/07/35/16/564073516.db2.gz LGTVRLLVRFGDOF-UHFFFAOYSA-N 1 0 326.440 3.718 50 0 EHAARO Cc1oc2ccccc2c1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000186423746 564077567 /nfs/dbraw/zinc/07/75/67/564077567.db2.gz HBDHTLFCQFIBPW-UHFFFAOYSA-N 1 0 349.434 3.531 50 0 EHAARO C[C@H](Cc1nnc(SCC[N@@H+]2CC[C@H](C)C2)o1)c1ccccc1 ZINC000075108800 564080244 /nfs/dbraw/zinc/08/02/44/564080244.db2.gz NJPBDOVIJOJABW-LSDHHAIUSA-N 1 0 331.485 3.850 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cccs1)c1csc2ccccc21 ZINC000575619332 564083763 /nfs/dbraw/zinc/08/37/63/564083763.db2.gz JQJYUCDUWCLLKQ-AWEZNQCLSA-N 1 0 330.478 3.996 50 0 EHAARO COc1cc2c(cc1NC(=O)[C@@H](C)[NH2+]C(C)C)oc1ccccc12 ZINC000012986743 564085717 /nfs/dbraw/zinc/08/57/17/564085717.db2.gz RALYPCXFDNLUSD-GFCCVEGCSA-N 1 0 326.396 3.920 50 0 EHAARO CCS[C@@H](C)c1noc(CN2CCC(c3ccc(O)cc3)CC2)n1 ZINC000089274822 564087974 /nfs/dbraw/zinc/08/79/74/564087974.db2.gz GYDPVGSGHWRRDW-ZDUSSCGKSA-N 1 0 347.484 3.969 50 0 EHAARO COCc1nccc([C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)n1 ZINC000089420470 564090516 /nfs/dbraw/zinc/09/05/16/564090516.db2.gz PLRPQKFQDJHHRG-KRWDZBQOSA-N 1 0 348.450 3.551 50 0 EHAARO Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)c2ccccc2[nH+]1 ZINC000089583150 564092966 /nfs/dbraw/zinc/09/29/66/564092966.db2.gz ZKWODPPXCUWIIP-UHFFFAOYSA-N 1 0 339.483 3.990 50 0 EHAARO Cc1cccc([C@H]2CCC[N@H+]2CC2CCN(C(=O)CC(C)C)CC2)n1 ZINC000370196147 564096184 /nfs/dbraw/zinc/09/61/84/564096184.db2.gz XJFJWQYTLRKXKZ-HXUWFJFHSA-N 1 0 343.515 3.812 50 0 EHAARO Cc1ccccc1CNC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000064818051 564096474 /nfs/dbraw/zinc/09/64/74/564096474.db2.gz SEJKKJKVTNPCEH-UHFFFAOYSA-N 1 0 338.426 3.583 50 0 EHAARO COc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000006949334 564102102 /nfs/dbraw/zinc/10/21/02/564102102.db2.gz UNIOPIHHZCUNIF-HOTGVXAUSA-N 1 0 335.488 3.607 50 0 EHAARO Cc1n[nH]cc1C[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000065549633 564107417 /nfs/dbraw/zinc/10/74/17/564107417.db2.gz NOGJLCCASDHNAE-NXEZZACHSA-N 1 0 329.288 3.717 50 0 EHAARO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000007362651 564107530 /nfs/dbraw/zinc/10/75/30/564107530.db2.gz JJOBIIVVFDDVKW-RHSMWYFYSA-N 1 0 344.480 3.599 50 0 EHAARO CCOCCC[N@@H+]1Cc2ccc(NC(=O)[C@H]3CC=CCC3)cc2C1 ZINC000065588720 564107888 /nfs/dbraw/zinc/10/78/88/564107888.db2.gz ZQOFPCKGQHBHEY-INIZCTEOSA-N 1 0 328.456 3.724 50 0 EHAARO O=C1[C@H]([NH2+]Cc2ccccc2)CCN1c1ccccc1C(F)(F)F ZINC000170597909 564109178 /nfs/dbraw/zinc/10/91/78/564109178.db2.gz UIKJCUVXHFBEQS-OAHLLOKOSA-N 1 0 334.341 3.601 50 0 EHAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000170616903 564110058 /nfs/dbraw/zinc/11/00/58/564110058.db2.gz GVTNLEHKSHDTKK-ZQIUZPCESA-N 1 0 326.444 3.572 50 0 EHAARO Cc1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000089616644 564112770 /nfs/dbraw/zinc/11/27/70/564112770.db2.gz FFPLMTFWZNKZJW-HNNXBMFYSA-N 1 0 335.879 3.844 50 0 EHAARO c1nc(C2CCC2)sc1C[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000089787906 564113774 /nfs/dbraw/zinc/11/37/74/564113774.db2.gz CTCRGHMHOOKONF-UHFFFAOYSA-N 1 0 330.453 3.746 50 0 EHAARO c1cn2c(C[NH2+][C@@H]3CCOc4ccccc43)c(C3CC3)nc2s1 ZINC000089857810 564114289 /nfs/dbraw/zinc/11/42/89/564114289.db2.gz XILTTWVDJWNDRU-CQSZACIVSA-N 1 0 325.437 3.887 50 0 EHAARO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccccc2Cl)[C@H]1C ZINC000239302815 564117797 /nfs/dbraw/zinc/11/77/97/564117797.db2.gz FOYBDPMGKFULCJ-KKBFJZEXSA-N 1 0 325.880 3.632 50 0 EHAARO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000390835822 564120269 /nfs/dbraw/zinc/12/02/69/564120269.db2.gz ZBMDICFJESMMSS-UHFFFAOYSA-N 1 0 343.393 3.741 50 0 EHAARO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1ccccc1 ZINC000194207473 564120456 /nfs/dbraw/zinc/12/04/56/564120456.db2.gz SNIAQBVXRDQRMT-INIZCTEOSA-N 1 0 340.442 3.824 50 0 EHAARO CCOC(=O)c1cc2cc(C[C@@H](C)[NH3+])ccc2n1Cc1ccccc1 ZINC000167331924 564129573 /nfs/dbraw/zinc/12/95/73/564129573.db2.gz LPBUQDHKLGIXBJ-OAHLLOKOSA-N 1 0 336.435 3.756 50 0 EHAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1csc(Cl)n1 ZINC000253428069 564131225 /nfs/dbraw/zinc/13/12/25/564131225.db2.gz HTKXMVKSJRQFFA-AWEZNQCLSA-N 1 0 335.904 3.893 50 0 EHAARO CC(C)(C)c1cnc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)s1 ZINC000253429620 564131262 /nfs/dbraw/zinc/13/12/62/564131262.db2.gz UHFWLFGXIAUDFG-BLLLJJGKSA-N 1 0 326.531 3.585 50 0 EHAARO CCc1nc(-c2cccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c2)ccc1C ZINC000584900269 564131680 /nfs/dbraw/zinc/13/16/80/564131680.db2.gz LVDLIHCZLCQSNO-LJQANCHMSA-N 1 0 349.478 3.540 50 0 EHAARO C[N@H+](CCCCCF)C1CCN(c2ncnc3ccccc32)CC1 ZINC000225467580 564135058 /nfs/dbraw/zinc/13/50/58/564135058.db2.gz QWGDSZJFHCJOTL-UHFFFAOYSA-N 1 0 330.451 3.670 50 0 EHAARO O=C(c1nc(-c2ccccc2)cs1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328586435 564136502 /nfs/dbraw/zinc/13/65/02/564136502.db2.gz VSBGGUFNKORULQ-INIZCTEOSA-N 1 0 341.480 3.511 50 0 EHAARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000278762264 564139066 /nfs/dbraw/zinc/13/90/66/564139066.db2.gz OBCKIAIKLUMKNG-UHFFFAOYSA-N 1 0 340.402 3.653 50 0 EHAARO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095422413 564140127 /nfs/dbraw/zinc/14/01/27/564140127.db2.gz UDAOEQFULLSWJS-RYUDHWBXSA-N 1 0 342.443 3.987 50 0 EHAARO C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095958175 564142605 /nfs/dbraw/zinc/14/26/05/564142605.db2.gz QBIAFLACXLVAPU-LSTHTHJFSA-N 1 0 341.499 3.796 50 0 EHAARO CC(C)n1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)cn1 ZINC000095958681 564142649 /nfs/dbraw/zinc/14/26/49/564142649.db2.gz WPYMXVQQMSHXDC-UHFFFAOYSA-N 1 0 341.455 3.794 50 0 EHAARO Cc1csc([C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C2CC2)n1 ZINC000095988367 564144024 /nfs/dbraw/zinc/14/40/24/564144024.db2.gz WJXHXKZNNIGAKL-UONOGXRCSA-N 1 0 337.489 3.502 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000095988573 564144032 /nfs/dbraw/zinc/14/40/32/564144032.db2.gz FZAKBZCRUWGAPS-RBUKOAKNSA-N 1 0 346.377 3.543 50 0 EHAARO COc1ccc(CCC[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc1F ZINC000096013628 564144831 /nfs/dbraw/zinc/14/48/31/564144831.db2.gz ONMSZBGTODMLPJ-HXUWFJFHSA-N 1 0 343.442 3.870 50 0 EHAARO CCOc1ccccc1OCC[NH2+]CCCC(=O)c1ccccc1 ZINC000096027173 564144994 /nfs/dbraw/zinc/14/49/94/564144994.db2.gz RTDFXPZREQENMC-UHFFFAOYSA-N 1 0 327.424 3.717 50 0 EHAARO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccc(-n2cncn2)cc1 ZINC000096473002 564148393 /nfs/dbraw/zinc/14/83/93/564148393.db2.gz BAGCIRVEVQEUEK-CYBMUJFWSA-N 1 0 339.468 3.842 50 0 EHAARO Cc1nccn1Cc1cccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000096476580 564148495 /nfs/dbraw/zinc/14/84/95/564148495.db2.gz PIVNZZVGJUZJSP-MRXNPFEDSA-N 1 0 337.471 3.868 50 0 EHAARO Cc1cccc(C)c1N1C(=O)C[C@@H](N(Cc2ccccc2)C2CC2)C1=O ZINC000097011567 564149093 /nfs/dbraw/zinc/14/90/93/564149093.db2.gz QKIQTFOCRUJQNN-LJQANCHMSA-N 1 0 348.446 3.600 50 0 EHAARO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(-c3cnn(C)c3)c2)cc1 ZINC000097238039 564149585 /nfs/dbraw/zinc/14/95/85/564149585.db2.gz RYWCAJLNRCBQLS-HNNXBMFYSA-N 1 0 348.450 3.896 50 0 EHAARO O=C(CCCc1ccccc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225686260 564150288 /nfs/dbraw/zinc/15/02/88/564150288.db2.gz UDQOVPYGOCDIGC-QFIPXVFZSA-N 1 0 348.490 3.669 50 0 EHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCc3cc(F)ccc32)o1 ZINC000056996385 564153189 /nfs/dbraw/zinc/15/31/89/564153189.db2.gz RULIOZRJCFKYHY-KRWDZBQOSA-N 1 0 330.403 3.678 50 0 EHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1 ZINC000057318481 564153602 /nfs/dbraw/zinc/15/36/02/564153602.db2.gz WREFQIDRTBUGRR-SFHVURJKSA-N 1 0 329.444 3.898 50 0 EHAARO Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc(-n3ccnc3)cc2)c(C)c1 ZINC000057681746 564155439 /nfs/dbraw/zinc/15/54/39/564155439.db2.gz ASTLXRSCHJPJHS-UHFFFAOYSA-N 1 0 348.450 3.526 50 0 EHAARO Cc1cccc(NC(=S)N2CCCN(Cc3ccccc3F)C2)c1 ZINC000058096256 564157538 /nfs/dbraw/zinc/15/75/38/564157538.db2.gz UGXHNXGYWWTPDG-UHFFFAOYSA-N 1 0 343.471 3.996 50 0 EHAARO c1cn(-c2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)cc2)cn1 ZINC000058165459 564157885 /nfs/dbraw/zinc/15/78/85/564157885.db2.gz UNOWLLSYENJEQR-UHFFFAOYSA-N 1 0 346.478 3.627 50 0 EHAARO Fc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003504032 564158535 /nfs/dbraw/zinc/15/85/35/564158535.db2.gz DHNRHIJFIBDZKT-UHFFFAOYSA-N 1 0 343.471 3.777 50 0 EHAARO CC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000031093081 564158757 /nfs/dbraw/zinc/15/87/57/564158757.db2.gz XQCTYOJDTSVVQU-LJQANCHMSA-N 1 0 345.487 3.767 50 0 EHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(OC)cc2OC)c1 ZINC000031538789 564159515 /nfs/dbraw/zinc/15/95/15/564159515.db2.gz DCGJDEVKLSNWPU-UHFFFAOYSA-N 1 0 342.439 3.798 50 0 EHAARO Cc1cccc(OCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000031621057 564159589 /nfs/dbraw/zinc/15/95/89/564159589.db2.gz APAIDLOPXQLCNG-UHFFFAOYSA-N 1 0 338.451 3.998 50 0 EHAARO C[N@H+](CC(=O)NCC[C@@H](c1ccco1)c1ccccc1)C1CCCC1 ZINC000670459578 564160856 /nfs/dbraw/zinc/16/08/56/564160856.db2.gz NNUYZIGXIDIPFT-LJQANCHMSA-N 1 0 340.467 3.792 50 0 EHAARO CCN(Cc1ccc(Cl)s1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000032512446 564161601 /nfs/dbraw/zinc/16/16/01/564161601.db2.gz GMKUXPZOZZRTHB-UHFFFAOYSA-N 1 0 347.871 3.740 50 0 EHAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cc1cccs1 ZINC000069443390 564169518 /nfs/dbraw/zinc/16/95/18/564169518.db2.gz YPWWWFITAXFRLY-UHFFFAOYSA-N 1 0 346.521 3.787 50 0 EHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000009470970 564173837 /nfs/dbraw/zinc/17/38/37/564173837.db2.gz TYUYBXBLAKGNOV-UHFFFAOYSA-N 1 0 343.858 3.734 50 0 EHAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000042209520 564174777 /nfs/dbraw/zinc/17/47/77/564174777.db2.gz IIOFDXBSOKTWIL-UHFFFAOYSA-N 1 0 342.414 3.576 50 0 EHAARO CC(C)[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000071828285 564175735 /nfs/dbraw/zinc/17/57/35/564175735.db2.gz XZEQURYVIXIIOX-JTQLQIEISA-N 1 0 340.221 3.713 50 0 EHAARO C[N@H+](CCCc1nc2ccccc2o1)C[C@H]1COc2ccccc2O1 ZINC000077409905 564176734 /nfs/dbraw/zinc/17/67/34/564176734.db2.gz PJRIBFACXQWZNH-HNNXBMFYSA-N 1 0 338.407 3.532 50 0 EHAARO COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCCN2C)cc1 ZINC000599297463 1028734197 /nfs/dbraw/zinc/73/41/97/1028734197.db2.gz RBNCVXJVJPYDED-QGZVFWFLSA-N 1 0 340.423 3.910 50 0 EHAARO FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000792939769 1030495138 /nfs/dbraw/zinc/49/51/38/1030495138.db2.gz IGCXHSGEPSCIEJ-MRXNPFEDSA-N 1 0 329.362 3.587 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)c(C)c2)CC1 ZINC000008744728 1034042751 /nfs/dbraw/zinc/04/27/51/1034042751.db2.gz BYEPLUWWFLJYFK-FMIVXFBMSA-N 1 0 349.478 3.789 50 0 EHAARO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)[C@H]2CCC[NH2+]C2)s1 ZINC000178037727 1035574781 /nfs/dbraw/zinc/57/47/81/1035574781.db2.gz OLBBGIJDRYXFHV-ZDUSSCGKSA-N 1 0 349.887 3.634 50 0 EHAARO CC(C)[N@@H+]1CCCC[C@H]1CCn1cnc2cc(Cl)ccc2c1=O ZINC000032581808 1036054194 /nfs/dbraw/zinc/05/41/94/1036054194.db2.gz SRCXPZMRUNGDDC-HNNXBMFYSA-N 1 0 333.863 3.703 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(C(F)(F)F)s3)C2)CC1 ZINC000154146665 1122331161 /nfs/dbraw/zinc/33/11/61/1122331161.db2.gz RKYRGGPJWVFSMQ-LBPRGKRZSA-N 1 0 348.438 3.505 50 0 EHAARO CCC[C@H](CN1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000180228390 1123965845 /nfs/dbraw/zinc/96/58/45/1123965845.db2.gz WRXULNOPDJQHSM-OAQYLSRUSA-N 1 0 330.516 3.615 50 0 EHAARO c1ccc(N2CC[C@@H]([NH2+]CC3(N4CCCCC4)CCCC3)C2)cc1 ZINC000820414238 1130869983 /nfs/dbraw/zinc/86/99/83/1130869983.db2.gz XVFDFYWXPMMZKC-LJQANCHMSA-N 1 0 327.516 3.654 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)n1 ZINC000181141582 1131047053 /nfs/dbraw/zinc/04/70/53/1131047053.db2.gz OLDKURQDDFNQQI-HNNXBMFYSA-N 1 0 336.439 3.655 50 0 EHAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccn3C3CC3)cc2)CC1 ZINC000823765145 1131080872 /nfs/dbraw/zinc/08/08/72/1131080872.db2.gz YRBDPCSWVKTYOH-UHFFFAOYSA-N 1 0 339.439 3.548 50 0 EHAARO COc1ccc2[nH]c(C[NH2+][C@@H]3CCc4ccc(OC)cc4C3)cc2c1 ZINC000824750857 1131216891 /nfs/dbraw/zinc/21/68/91/1131216891.db2.gz FDTOEIBNMIGCLH-QGZVFWFLSA-N 1 0 336.435 3.832 50 0 EHAARO c1ccc(CNc2ncc(CN3CCC[C@@H]3c3cccnc3)cn2)cc1 ZINC000829069279 1131446824 /nfs/dbraw/zinc/44/68/24/1131446824.db2.gz PKBPKLHAZMMQBL-HXUWFJFHSA-N 1 0 345.450 3.821 50 0 EHAARO COc1cccc([C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C[C@H]2O)c1 ZINC000065370449 1132055420 /nfs/dbraw/zinc/05/54/20/1132055420.db2.gz KLRCAABHFWWRMN-RBBKRZOGSA-N 1 0 348.446 3.594 50 0 EHAARO Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)CC2)c1 ZINC000581787965 1132356661 /nfs/dbraw/zinc/35/66/61/1132356661.db2.gz MKHRXOJENLECSR-IBGZPJMESA-N 1 0 328.500 3.969 50 0 EHAARO C[N@H+](Cc1ccccc1N1CCCC1)[C@@H]1CCc2ccccc2NC1=O ZINC000191851297 1136813948 /nfs/dbraw/zinc/81/39/48/1136813948.db2.gz YRPCOPIVJKBNDV-OAQYLSRUSA-N 1 0 349.478 3.672 50 0 EHAARO Clc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000585081466 1136966752 /nfs/dbraw/zinc/96/67/52/1136966752.db2.gz TWJUGKQAUKVFMJ-MRXNPFEDSA-N 1 0 331.847 3.876 50 0 EHAARO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2ccccn2)CC2CC2)CC1 ZINC000585089982 1136993120 /nfs/dbraw/zinc/99/31/20/1136993120.db2.gz RBTPCVGPZIPQGN-UHFFFAOYSA-N 1 0 345.487 3.693 50 0 EHAARO COc1cccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1F ZINC000192672134 1137456411 /nfs/dbraw/zinc/45/64/11/1137456411.db2.gz WMDXZMTWGLAUAA-HXUWFJFHSA-N 1 0 343.398 3.846 50 0 EHAARO C[N@@H+](Cc1cccnc1)C[C@H]1CC[C@@H](Cc2nccc3ccccc32)O1 ZINC000952854518 1137482773 /nfs/dbraw/zinc/48/27/73/1137482773.db2.gz WCHZYEXCTSWSFK-VQTJNVASSA-N 1 0 347.462 3.852 50 0 EHAARO CCOc1ccccc1CCCNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000952869832 1137482940 /nfs/dbraw/zinc/48/29/40/1137482940.db2.gz MNVXVNIJLFIDNZ-UHFFFAOYSA-N 1 0 344.499 3.543 50 0 EHAARO O=C1CC[C@@H]([N@@H+]2CC=C(c3ccc(F)cc3)CC2)CCN1CC1CC1 ZINC000952970045 1137483860 /nfs/dbraw/zinc/48/38/60/1137483860.db2.gz CBYZSXWBLZXERL-HXUWFJFHSA-N 1 0 342.458 3.706 50 0 EHAARO CC[C@H]1C[N@@H+](C2CCN(c3ccc(F)cc3)CC2)CCN1C(C)C ZINC000952970013 1137484017 /nfs/dbraw/zinc/48/40/17/1137484017.db2.gz JEABFXUXEWSJFP-SFHVURJKSA-N 1 0 333.495 3.599 50 0 EHAARO C[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1cccc(O)c1Cl ZINC000952982977 1137485344 /nfs/dbraw/zinc/48/53/44/1137485344.db2.gz NHZMNGWEHWAMMG-CQSZACIVSA-N 1 0 330.859 3.582 50 0 EHAARO Cn1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3s2)cc1=O ZINC000052076081 214116646 /nfs/dbraw/zinc/11/66/46/214116646.db2.gz SIEGHKRZUAZTDB-MRXNPFEDSA-N 1 0 339.464 3.722 50 0 EHAARO CCC[N@@H+]1CC[C@@H](CNC(=O)C2(c3cc(C)cc(C)c3)CCC2)C1 ZINC000053408869 214181025 /nfs/dbraw/zinc/18/10/25/214181025.db2.gz GLAGPJGXYVGUII-SFHVURJKSA-N 1 0 328.500 3.573 50 0 EHAARO CC1(C)CC(NC(=O)COc2cccc3ccccc32)CC(C)(C)[NH2+]1 ZINC000004704972 210254189 /nfs/dbraw/zinc/25/41/89/210254189.db2.gz ISUXBFQICGGYBA-UHFFFAOYSA-N 1 0 340.467 3.644 50 0 EHAARO C[NH+]1CCN(c2nc(/C=C/c3ccccc3)nc3ccccc32)CC1 ZINC000004700938 210252457 /nfs/dbraw/zinc/25/24/57/210252457.db2.gz SWDQDPUMJVETEK-VAWYXSNFSA-N 1 0 330.435 3.552 50 0 EHAARO Cc1cccc(-c2ncc(C[NH+]3CCC(Cn4ccnc4)CC3)cn2)c1 ZINC000097756535 219054561 /nfs/dbraw/zinc/05/45/61/219054561.db2.gz NBAPOWRDKIPUNW-UHFFFAOYSA-N 1 0 347.466 3.561 50 0 EHAARO Fc1ccc(/C=C/C[NH+]2CCC(n3cc(C4CC4)nn3)CC2)cc1 ZINC000055326791 214307620 /nfs/dbraw/zinc/30/76/20/214307620.db2.gz ZBLPJZUZTDETPY-OWOJBTEDSA-N 1 0 326.419 3.645 50 0 EHAARO COCC[N@H+](Cc1sccc1C)Cc1c2ccccc2nn1C ZINC000055281036 214300938 /nfs/dbraw/zinc/30/09/38/214300938.db2.gz ZQSVKBNECUJJPD-UHFFFAOYSA-N 1 0 329.469 3.592 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2c[nH]nc2-c2cccs2)c1 ZINC000055282588 214301334 /nfs/dbraw/zinc/30/13/34/214301334.db2.gz GVVMQXZVJJNVGK-AWEZNQCLSA-N 1 0 326.469 3.905 50 0 EHAARO CC(C)(CN1CCOCC1)C[N@@H+](Cc1ccsc1)Cc1ccco1 ZINC000055369225 214312585 /nfs/dbraw/zinc/31/25/85/214312585.db2.gz PDKCJLLIDWEOOH-UHFFFAOYSA-N 1 0 348.512 3.702 50 0 EHAARO COc1ccc(C[NH+]2CCC3(CNc4ccccc43)CC2)c(F)c1 ZINC000097785088 219056721 /nfs/dbraw/zinc/05/67/21/219056721.db2.gz LKEYYXMXLDTRIT-UHFFFAOYSA-N 1 0 326.415 3.794 50 0 EHAARO COc1cc(OC)c(C[NH2+]C2CCCCC2)cc1Br ZINC000004685514 210247810 /nfs/dbraw/zinc/24/78/10/210247810.db2.gz XNABAGPLOQOSMW-UHFFFAOYSA-N 1 0 328.250 3.889 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2OC)N3)C1 ZINC000004556150 210220355 /nfs/dbraw/zinc/22/03/55/210220355.db2.gz QYQZKCVGUONAKH-MRXNPFEDSA-N 1 0 343.452 3.564 50 0 EHAARO COc1ccc(-c2noc(C[N@H+]3[C@H](C)CCC[C@@H]3C)n2)cc1OC ZINC000004487210 210201315 /nfs/dbraw/zinc/20/13/15/210201315.db2.gz IVQNNXPHXLZQCV-BETUJISGSA-N 1 0 331.416 3.517 50 0 EHAARO Cc1cc(C(=O)Nc2ccc(C)cc2F)c(C)n1CC[NH+]1CCCC1 ZINC000065178111 214838141 /nfs/dbraw/zinc/83/81/41/214838141.db2.gz RYYYNLRVCPYIHE-UHFFFAOYSA-N 1 0 343.446 3.901 50 0 EHAARO Cc1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000004315058 210167090 /nfs/dbraw/zinc/16/70/90/210167090.db2.gz MKDPOJBIJPAKBD-UHFFFAOYSA-N 1 0 348.450 3.689 50 0 EHAARO c1nc(-c2ccccc2)c([C@@H]2CCOC2)n1CC[NH+]1CCCCC1 ZINC000065394686 214886761 /nfs/dbraw/zinc/88/67/61/214886761.db2.gz PUXSGGVVQFGBIN-GOSISDBHSA-N 1 0 325.456 3.540 50 0 EHAARO Cc1noc(/C=C/c2ccccc2OCC[NH+]2CCCCCC2)n1 ZINC000004119405 210124595 /nfs/dbraw/zinc/12/45/95/210124595.db2.gz PFBRCDMNZOKUKK-ZHACJKMWSA-N 1 0 327.428 3.803 50 0 EHAARO [NH2+]=C(C[C@H](O)COc1ccccc1-c1ccccc1)N1CCCCC1 ZINC000003995780 210097136 /nfs/dbraw/zinc/09/71/36/210097136.db2.gz HSVZQQYIMKLNLN-SFHVURJKSA-N 1 0 338.451 3.947 50 0 in-vitro EHAARO C[C@H](NC(=O)C[NH+]1CCC(CCc2ccccc2)CC1)c1ccco1 ZINC000022134831 212279539 /nfs/dbraw/zinc/27/95/39/212279539.db2.gz NLNXPSNZDXOOAX-KRWDZBQOSA-N 1 0 340.467 3.802 50 0 EHAARO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000066676296 215067162 /nfs/dbraw/zinc/06/71/62/215067162.db2.gz KPICXBLPXODKJH-GOSISDBHSA-N 1 0 326.484 3.713 50 0 EHAARO c1cc(-c2ccncc2)n(C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000067094122 215112619 /nfs/dbraw/zinc/11/26/19/215112619.db2.gz RZJQMOCHQWYQRN-UHFFFAOYSA-N 1 0 348.450 3.584 50 0 EHAARO CCn1nc(C)c2c1nc1ccccc1c2NCC[NH+](CC)CC ZINC000043190788 213567766 /nfs/dbraw/zinc/56/77/66/213567766.db2.gz IXIGAALWDQMMMD-UHFFFAOYSA-N 1 0 325.460 3.667 50 0 EHAARO Cc1c(C[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)[nH]c2ccccc12 ZINC000067542256 215159744 /nfs/dbraw/zinc/15/97/44/215159744.db2.gz UAHILBHNHSAYKB-UHFFFAOYSA-N 1 0 331.419 3.950 50 0 EHAARO COc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC000067561427 215162440 /nfs/dbraw/zinc/16/24/40/215162440.db2.gz LGVGBBWYHLWSKJ-NRFANRHFSA-N 1 0 344.499 3.556 50 0 EHAARO O=c1[nH]c2cc(F)ccc2cc1C[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000067605681 215168346 /nfs/dbraw/zinc/16/83/46/215168346.db2.gz GOUZQUYFZOGTTM-UHFFFAOYSA-N 1 0 338.382 3.537 50 0 EHAARO Cc1nc2c(c(NCC[C@H](c3ccco3)c3ccccc3)n1)CC[NH2+]C2 ZINC000067643133 215172748 /nfs/dbraw/zinc/17/27/48/215172748.db2.gz VAPCKTGPHUORQX-KRWDZBQOSA-N 1 0 348.450 3.658 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c2cccc3c2n1CCC3 ZINC000067678521 215183105 /nfs/dbraw/zinc/18/31/05/215183105.db2.gz WFMCNOQCCABZFJ-FQEVSTJZSA-N 1 0 345.446 3.680 50 0 EHAARO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000067723694 215194844 /nfs/dbraw/zinc/19/48/44/215194844.db2.gz UKLKLYLHFQVLSL-OAHLLOKOSA-N 1 0 345.874 3.626 50 0 EHAARO O=C1CCCN1CC[C@@H]1CCCC[N@@H+]1Cc1cccc2cnccc21 ZINC000067755271 215203131 /nfs/dbraw/zinc/20/31/31/215203131.db2.gz SUUDQWGDFHLOOW-IBGZPJMESA-N 1 0 337.467 3.602 50 0 EHAARO [NH3+]C[C@@H]1Cc2c(c(-c3ccc(-c4nc5ccccc5[nH]4)o3)ccc2F)O1 ZINC000067909825 215248970 /nfs/dbraw/zinc/24/89/70/215248970.db2.gz VSMDQVCFULCORY-NSHDSACASA-N 1 0 349.365 3.891 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2cccs2)c2ccccc2OC)CC1 ZINC000069324482 215378006 /nfs/dbraw/zinc/37/80/06/215378006.db2.gz UKMBUTCCHIDRAA-UHFFFAOYSA-N 1 0 344.480 3.888 50 0 EHAARO CC1(C)CC(NC(=O)NCCCCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000040071103 213257343 /nfs/dbraw/zinc/25/73/43/213257343.db2.gz NCSBYSSCMANTFA-UHFFFAOYSA-N 1 0 331.504 3.618 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)Nc1c(F)cccc1F ZINC000038489591 213211491 /nfs/dbraw/zinc/21/14/91/213211491.db2.gz SRVNAHICWTYRAS-UHFFFAOYSA-N 1 0 349.381 3.592 50 0 EHAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000038361491 213208785 /nfs/dbraw/zinc/20/87/85/213208785.db2.gz ZBIVRUVVGCTWPK-KSSFIOAISA-N 1 0 345.487 3.604 50 0 EHAARO FC(F)(F)c1ccc(-n2c[n+]3c(n2)CC[C@@H]3Cc2ccccc2)cc1 ZINC000038309408 213207543 /nfs/dbraw/zinc/20/75/43/213207543.db2.gz LQGWUWSAHRHEAA-QGZVFWFLSA-N 1 0 344.360 3.909 50 0 EHAARO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102520 213066445 /nfs/dbraw/zinc/06/64/45/213066445.db2.gz COHZJOCDAYHJNO-NRFANRHFSA-N 1 0 345.458 3.861 50 0 EHAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COC(C)(C)C)o1 ZINC000036097682 213065110 /nfs/dbraw/zinc/06/51/10/213065110.db2.gz FFNAJMHPODHCOJ-SFHVURJKSA-N 1 0 331.456 3.766 50 0 EHAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1)CC(C)C ZINC000036096756 213063224 /nfs/dbraw/zinc/06/32/24/213063224.db2.gz IRYGMFCXWPAQBB-HXUWFJFHSA-N 1 0 327.468 3.893 50 0 EHAARO Fc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4nccs4)C3)C2)cc1 ZINC000072129596 216020614 /nfs/dbraw/zinc/02/06/14/216020614.db2.gz UZWIRYJKUNEIHA-SFHVURJKSA-N 1 0 331.460 3.775 50 0 EHAARO COc1ccc(NC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C)c1 ZINC000072144963 216030064 /nfs/dbraw/zinc/03/00/64/216030064.db2.gz XJEOPFBCSWHZEE-QGZVFWFLSA-N 1 0 345.487 3.876 50 0 EHAARO CC(C)c1cccc(-c2cc(NC3CC[NH2+]CC3)nc3[nH]ccc32)n1 ZINC000072167714 216057659 /nfs/dbraw/zinc/05/76/59/216057659.db2.gz WUPUWJPUSPCHTE-UHFFFAOYSA-N 1 0 335.455 3.912 50 0 EHAARO Cc1nc([C@@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000072172688 216063920 /nfs/dbraw/zinc/06/39/20/216063920.db2.gz AGMJOCYWKMCYST-WPTTZPOMSA-N 1 0 327.403 3.523 50 0 EHAARO FC(F)(F)c1ccnc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000000066419 209396733 /nfs/dbraw/zinc/39/67/33/209396733.db2.gz MCRATZRHVDMHFS-UHFFFAOYSA-N 1 0 336.361 3.572 50 0 EHAARO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072837633 216313339 /nfs/dbraw/zinc/31/33/39/216313339.db2.gz WRQZTGILGDQVEO-LSDHHAIUSA-N 1 0 335.448 3.982 50 0 EHAARO Clc1ccc(-n2cccc2CN2CCC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000023359719 212370126 /nfs/dbraw/zinc/37/01/26/212370126.db2.gz KZQVHYCVSHRBAF-KRWDZBQOSA-N 1 0 344.890 3.586 50 0 EHAARO c1cn(CCC[NH+]2CCCCC2)nc1-c1cccc(-c2cnccn2)c1 ZINC000023251635 212365443 /nfs/dbraw/zinc/36/54/43/212365443.db2.gz HFRZTEKAMVVFRF-UHFFFAOYSA-N 1 0 347.466 3.883 50 0 EHAARO Clc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000023191678 212359652 /nfs/dbraw/zinc/35/96/52/212359652.db2.gz HTJADYIXIUASGO-UHFFFAOYSA-N 1 0 338.842 3.657 50 0 EHAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000022939154 212337263 /nfs/dbraw/zinc/33/72/63/212337263.db2.gz HYVDNGDWGMGRNU-INIZCTEOSA-N 1 0 339.483 3.689 50 0 EHAARO Fc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)cc1 ZINC000022773139 212323501 /nfs/dbraw/zinc/32/35/01/212323501.db2.gz OVEOMVXGOMBWOW-UHFFFAOYSA-N 1 0 338.176 3.607 50 0 EHAARO CC(C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)[NH+](C)C ZINC000022754430 212320789 /nfs/dbraw/zinc/32/07/89/212320789.db2.gz XFBOTLHNULGHNA-VBKZILBWSA-N 1 0 341.499 3.609 50 0 EHAARO CC(=O)Nc1ccc2nc(C[N@@H+]3CCC[C@@H]3c3ccccn3)ccc2c1 ZINC000215752364 241145173 /nfs/dbraw/zinc/14/51/73/241145173.db2.gz KSOWXYYGIVLFCR-OAQYLSRUSA-N 1 0 346.434 3.925 50 0 EHAARO Fc1ccc([C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH2+]CC2)cc1 ZINC000022028456 212273364 /nfs/dbraw/zinc/27/33/64/212273364.db2.gz KDUNGCWAFFIALD-QGZVFWFLSA-N 1 0 338.348 3.839 50 0 EHAARO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000225729082 242008010 /nfs/dbraw/zinc/00/80/10/242008010.db2.gz RILFARAQJKSPHG-CZUORRHYSA-N 1 0 349.862 3.558 50 0 EHAARO CCOc1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2CC)ccc1O ZINC000021720958 212244337 /nfs/dbraw/zinc/24/43/37/212244337.db2.gz DGKJVZXCGJSWMU-HNNXBMFYSA-N 1 0 330.428 3.987 50 0 EHAARO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229724486 242194571 /nfs/dbraw/zinc/19/45/71/242194571.db2.gz HWKYAZIXSGNSND-RTWAWAEBSA-N 1 0 334.463 3.639 50 0 EHAARO CCOc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000021148679 212211591 /nfs/dbraw/zinc/21/15/91/212211591.db2.gz GKCZYXBZFMTTGT-GOSISDBHSA-N 1 0 330.472 3.566 50 0 EHAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3ccccc3F)C2)cc1 ZINC000020889897 212181259 /nfs/dbraw/zinc/18/12/59/212181259.db2.gz ZPWSEUPNCAUIDX-KRWDZBQOSA-N 1 0 341.430 3.778 50 0 EHAARO COC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc(Cl)cc1 ZINC000241869049 243003330 /nfs/dbraw/zinc/00/33/30/243003330.db2.gz STYWTTLZSQMTHS-IKGGRYGDSA-N 1 0 341.904 3.672 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000244608508 243043283 /nfs/dbraw/zinc/04/32/83/243043283.db2.gz FDYCJIGSJPKLPP-OAHLLOKOSA-N 1 0 327.497 3.869 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)CCC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000244673703 243055406 /nfs/dbraw/zinc/05/54/06/243055406.db2.gz HUBVUXSAEMBIGB-CQSZACIVSA-N 1 0 347.409 3.560 50 0 EHAARO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000020680727 212161041 /nfs/dbraw/zinc/16/10/41/212161041.db2.gz FRRNLFUTBKFMQY-AWEZNQCLSA-N 1 0 346.858 3.948 50 0 EHAARO Cc1cccc(N2CCC(N3CCC[C@H]([NH+]4CCCC4)C3)CC2)c1C ZINC000020599849 212151032 /nfs/dbraw/zinc/15/10/32/212151032.db2.gz DMDYETDBZAERDC-NRFANRHFSA-N 1 0 341.543 3.832 50 0 EHAARO Clc1ccc(OCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000020118203 212103440 /nfs/dbraw/zinc/10/34/40/212103440.db2.gz DRWXOZSLFPUSIG-UHFFFAOYSA-N 1 0 348.668 3.594 50 0 EHAARO CN(C)c1nc2cc(F)ccc2cc1C[NH2+]CCc1ccccc1F ZINC000019740110 212060157 /nfs/dbraw/zinc/06/01/57/212060157.db2.gz FPOINNFAKAGZKZ-UHFFFAOYSA-N 1 0 341.405 3.911 50 0 EHAARO COc1ccc(C[NH2+]CCc2ccccc2F)cc1Br ZINC000019558957 212042164 /nfs/dbraw/zinc/04/21/64/212042164.db2.gz ZAVVWCNGOAGTGN-UHFFFAOYSA-N 1 0 338.220 3.929 50 0 EHAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048747370 213960931 /nfs/dbraw/zinc/96/09/31/213960931.db2.gz KADMAZRCNPJGOQ-HNNXBMFYSA-N 1 0 336.439 3.982 50 0 EHAARO O=C(CS[C@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000078979159 217163125 /nfs/dbraw/zinc/16/31/25/217163125.db2.gz DZCDFTJOXTWOFD-IBGZPJMESA-N 1 0 344.524 3.540 50 0 EHAARO C[C@@H]([NH2+]C1(CNC(=O)C2CCCCC2)CCOCC1)c1ccccc1 ZINC000079096273 217191861 /nfs/dbraw/zinc/19/18/61/217191861.db2.gz MPLPVNAKQXLAPX-QGZVFWFLSA-N 1 0 344.499 3.583 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccnc1SC ZINC000016140462 211887043 /nfs/dbraw/zinc/88/70/43/211887043.db2.gz OAWGHBMXQSOYNW-UHFFFAOYSA-N 1 0 343.496 3.575 50 0 EHAARO COc1ccsc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000079352312 217212844 /nfs/dbraw/zinc/21/28/44/217212844.db2.gz BMLVDAAYHMURAM-UHFFFAOYSA-N 1 0 345.468 3.515 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+]CCCO[C@H](C)c2ccccc2)cc1 ZINC000014138262 211689854 /nfs/dbraw/zinc/68/98/54/211689854.db2.gz XLQKGJPHBLNQAU-MRXNPFEDSA-N 1 0 326.440 3.903 50 0 EHAARO O=C(CC[C@H]1CCC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1)NC1CC1 ZINC000012430621 211377828 /nfs/dbraw/zinc/37/78/28/211377828.db2.gz OJHHAGUGMFYKFQ-NEFAXPCMSA-N 1 0 330.516 3.726 50 0 EHAARO Cc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000012439814 211382289 /nfs/dbraw/zinc/38/22/89/211382289.db2.gz GPISMHOZYOQRTE-NRFANRHFSA-N 1 0 327.443 3.951 50 0 EHAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1C ZINC000012432070 211379310 /nfs/dbraw/zinc/37/93/10/211379310.db2.gz XAMJTDVBOLHIDT-GOSISDBHSA-N 1 0 338.451 3.802 50 0 EHAARO CCC(=O)NC[C@@H](C)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012332844 211349334 /nfs/dbraw/zinc/34/93/34/211349334.db2.gz AHNHHVWKJODVRR-OAHLLOKOSA-N 1 0 346.496 3.674 50 0 EHAARO Cn1cc(C[N@H+](C)C[C@@H]2CCCCO2)c(-c2cccc(Cl)c2)n1 ZINC000012314835 211344922 /nfs/dbraw/zinc/34/49/22/211344922.db2.gz BDSFAKYLCPRPRS-KRWDZBQOSA-N 1 0 333.863 3.741 50 0 EHAARO Cc1cnccc1CC[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000091405539 218001564 /nfs/dbraw/zinc/00/15/64/218001564.db2.gz DXICFLOYPFTVOC-ZDUSSCGKSA-N 1 0 328.847 3.823 50 0 EHAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](C1CCCC1)CC2 ZINC000091441061 218006071 /nfs/dbraw/zinc/00/60/71/218006071.db2.gz OEIANFPMROAZLL-UHFFFAOYSA-N 1 0 348.437 3.722 50 0 EHAARO CSc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)cc1 ZINC000011880081 211264963 /nfs/dbraw/zinc/26/49/63/211264963.db2.gz ITRQGXROCUVSLP-OAHLLOKOSA-N 1 0 332.513 3.679 50 0 EHAARO O=C(c1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091645571 218039228 /nfs/dbraw/zinc/03/92/28/218039228.db2.gz TUHBJBJUPLMKPV-RBBKRZOGSA-N 1 0 348.490 3.856 50 0 EHAARO COc1cccc2ccc(N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)nc21 ZINC000091651103 218040295 /nfs/dbraw/zinc/04/02/95/218040295.db2.gz SVVCUDZMOJRYPG-SJLPKXTDSA-N 1 0 337.467 3.554 50 0 EHAARO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nccs1 ZINC000091734260 218054477 /nfs/dbraw/zinc/05/44/77/218054477.db2.gz YQYRVPITMPBLEN-JHJVBQTASA-N 1 0 325.478 3.630 50 0 EHAARO CC[N@H+](C)C1(CNC(=O)C[C@H]2CCc3ccccc32)CCCCC1 ZINC000091914764 218088012 /nfs/dbraw/zinc/08/80/12/218088012.db2.gz LTNKHEQFUMSYLW-GOSISDBHSA-N 1 0 328.500 3.877 50 0 EHAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000092062200 218112099 /nfs/dbraw/zinc/11/20/99/218112099.db2.gz SOYAESOWRANTSH-GOSISDBHSA-N 1 0 331.485 3.622 50 0 EHAARO Clc1ccc(C2(CNC3=[NH+]CCN3)CCCCC2)c(Cl)c1 ZINC000093882533 218254406 /nfs/dbraw/zinc/25/44/06/218254406.db2.gz DIOVZSUHCVTPAU-UHFFFAOYSA-N 1 0 326.271 3.744 50 0 EHAARO CC(C)c1ccc(C[N@H+](Cc2cc(=O)n3ccccc3n2)C2CC2)cc1 ZINC000009384755 211078030 /nfs/dbraw/zinc/07/80/30/211078030.db2.gz AIFBWDSOTSFTLV-UHFFFAOYSA-N 1 0 347.462 3.983 50 0 EHAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095360890 218293972 /nfs/dbraw/zinc/29/39/72/218293972.db2.gz BCEMJHDFBHCPKJ-MRXNPFEDSA-N 1 0 330.501 3.828 50 0 EHAARO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000095379093 218311027 /nfs/dbraw/zinc/31/10/27/218311027.db2.gz JINGHQRPBWDXOE-GOSISDBHSA-N 1 0 340.492 3.729 50 0 EHAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3cccc4cccnc43)C2)c1 ZINC000095402540 218337412 /nfs/dbraw/zinc/33/74/12/218337412.db2.gz ZCLQWEITICGFBB-QGZVFWFLSA-N 1 0 347.462 3.860 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(C)C)cc2C)C1 ZINC000095407646 218343890 /nfs/dbraw/zinc/34/38/90/218343890.db2.gz HKUYSUZEHVTNJD-INIZCTEOSA-N 1 0 333.476 3.588 50 0 EHAARO CCc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)o1 ZINC000095420278 218360968 /nfs/dbraw/zinc/36/09/68/218360968.db2.gz FLWCSCDWOAQEDK-CQSZACIVSA-N 1 0 344.430 3.937 50 0 EHAARO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)ccc1SC ZINC000095421332 218363438 /nfs/dbraw/zinc/36/34/38/218363438.db2.gz QTUWBLSEZOJHGT-DGCLKSJQSA-N 1 0 348.434 3.704 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](CCO)c2ccccc2)c(C)c1 ZINC000095423057 218365057 /nfs/dbraw/zinc/36/50/57/218365057.db2.gz DMWPBCUQMFHEAL-FXAWDEMLSA-N 1 0 340.467 3.734 50 0 EHAARO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C)c1c(C)nn(C)c1C ZINC000095423447 218365822 /nfs/dbraw/zinc/36/58/22/218365822.db2.gz XIKBZGDBBPPIHC-YOEHRIQHSA-N 1 0 342.487 3.803 50 0 EHAARO CC(=O)N1CCC(CC[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095423686 218366416 /nfs/dbraw/zinc/36/64/16/218366416.db2.gz FNNFRXCGALFSFQ-LJQANCHMSA-N 1 0 342.483 3.671 50 0 EHAARO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCOc2c(C)cc(C(C)(C)C)cc21 ZINC000095462769 218402897 /nfs/dbraw/zinc/40/28/97/218402897.db2.gz WMFHJNITOKUVTI-QGZVFWFLSA-N 1 0 346.515 3.868 50 0 EHAARO CC(C)[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1[NH+](C)C ZINC000095518560 218425274 /nfs/dbraw/zinc/42/52/74/218425274.db2.gz YRSYUGOIUXDGBQ-RBUKOAKNSA-N 1 0 330.520 3.542 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)ccc1Br ZINC000007777007 210844295 /nfs/dbraw/zinc/84/42/95/210844295.db2.gz AMYLBNRQWQJYON-NHYWBVRUSA-N 1 0 339.277 3.864 50 0 EHAARO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1)C1CCCCC1 ZINC000006871593 210732021 /nfs/dbraw/zinc/73/20/21/210732021.db2.gz ZNCGNWLWLWINBR-UHFFFAOYSA-N 1 0 339.361 3.706 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000005672149 210513126 /nfs/dbraw/zinc/51/31/26/210513126.db2.gz QVBZGKUNFGFVPZ-UHFFFAOYSA-N 1 0 344.402 3.992 50 0 EHAARO Cc1cc([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c(C)s1 ZINC000096478415 218855233 /nfs/dbraw/zinc/85/52/33/218855233.db2.gz DFDPJWBCRDOXKH-AWEZNQCLSA-N 1 0 330.497 3.960 50 0 EHAARO COc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c(OC)c1OC ZINC000005204994 210411902 /nfs/dbraw/zinc/41/19/02/210411902.db2.gz XQBIHUBWXIBBRW-UHFFFAOYSA-N 1 0 331.456 3.627 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cn3ccnc3)cc2)o1 ZINC000097159565 218977341 /nfs/dbraw/zinc/97/73/41/218977341.db2.gz NCRXHXLEZSSEPR-UHFFFAOYSA-N 1 0 347.422 3.513 50 0 EHAARO C[C@H](c1cccc(-c2ccc(-c3nccn3C)nn2)c1)[NH+]1CCCC1 ZINC000426544789 257963989 /nfs/dbraw/zinc/96/39/89/257963989.db2.gz LRZKRYGOLLKPDS-OAHLLOKOSA-N 1 0 333.439 3.701 50 0 EHAARO CCc1oc(C(N)=O)cc1C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000426383779 257970153 /nfs/dbraw/zinc/97/01/53/257970153.db2.gz IUWYSGXRDBNOHI-INIZCTEOSA-N 1 0 326.440 3.567 50 0 EHAARO NC(=O)N1CCc2ccc(NC3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000328588546 258044824 /nfs/dbraw/zinc/04/48/24/258044824.db2.gz SGKUUQDSTSFLMW-UHFFFAOYSA-N 1 0 342.487 3.751 50 0 EHAARO CC[C@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1ncccc1C ZINC000299796938 258100796 /nfs/dbraw/zinc/10/07/96/258100796.db2.gz OCQKLUXTDPGDNM-KRWDZBQOSA-N 1 0 329.488 3.756 50 0 EHAARO COc1ccc(C[N@H+]2CC[C@@H](OC)C2)cc1OCc1cccc(F)c1 ZINC000215990139 258072175 /nfs/dbraw/zinc/07/21/75/258072175.db2.gz HZSHCBZZJKNKHP-GOSISDBHSA-N 1 0 345.414 3.634 50 0 EHAARO COc1ccccc1C[N@@H+]1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 ZINC000299759241 258076675 /nfs/dbraw/zinc/07/66/75/258076675.db2.gz CZXWAFYDZVTQNU-SESVDKBCSA-N 1 0 345.483 3.634 50 0 EHAARO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055543642 132195666 /nfs/dbraw/zinc/19/56/66/132195666.db2.gz QKDIVYPBFAIWNQ-UHFFFAOYSA-N 1 0 343.858 3.621 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000191853497 525393390 /nfs/dbraw/zinc/39/33/90/525393390.db2.gz BVVSRSJNAHRTNO-YYANLIAVSA-N 1 0 343.492 3.852 50 0 EHAARO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000229963847 536471714 /nfs/dbraw/zinc/47/17/14/536471714.db2.gz SIWHKQFZCQBYBS-XHDPSFHLSA-N 1 0 342.270 3.941 50 0 EHAARO COc1cccc(-c2ccc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2)c1 ZINC000216235389 537064283 /nfs/dbraw/zinc/06/42/83/537064283.db2.gz OYGCOAFITOGQJI-IBGZPJMESA-N 1 0 338.451 3.528 50 0 EHAARO C[N@@H+]1CCc2cc(Br)c(O)cc2[C@H](c2ccccc2)C1 ZINC000002516061 563437085 /nfs/dbraw/zinc/43/70/85/563437085.db2.gz XFTVOHWWEQGXLS-HNNXBMFYSA-N 1 0 332.241 3.775 50 0 investigational EHAARO OCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000002845504 563455362 /nfs/dbraw/zinc/45/53/62/563455362.db2.gz CXHQILPTVLIQAY-UHFFFAOYSA-N 1 0 326.223 3.654 50 0 EHAARO COCCC[NH2+]CCOCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003003124 563469587 /nfs/dbraw/zinc/46/95/87/563469587.db2.gz UWHNHEHALYKFPX-UHFFFAOYSA-N 1 0 343.895 3.659 50 0 EHAARO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C2CCCCC2)CC1 ZINC000005152305 563521686 /nfs/dbraw/zinc/52/16/86/563521686.db2.gz KZALNWPYGRORKK-UHFFFAOYSA-N 1 0 345.531 3.615 50 0 EHAARO CC(=O)Nc1cccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000071907831 563570410 /nfs/dbraw/zinc/57/04/10/563570410.db2.gz ITDXFUYZDCJZJF-OAQYLSRUSA-N 1 0 338.451 3.517 50 0 EHAARO CN(CC[NH+](C)C)C(=O)c1ccccc1Sc1ccc(F)cc1 ZINC000006637644 563575452 /nfs/dbraw/zinc/57/54/52/563575452.db2.gz KGUXMCQQJBNHTO-UHFFFAOYSA-N 1 0 332.444 3.611 50 0 EHAARO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000071915863 563620027 /nfs/dbraw/zinc/62/00/27/563620027.db2.gz UKGHDXPLLDGSOP-APWZRJJASA-N 1 0 338.455 3.598 50 0 EHAARO C[C@H]1C[C@@H](C(=O)NCCCCc2ccc(Cl)s2)CC[N@@H+]1C ZINC000285667009 563623454 /nfs/dbraw/zinc/62/34/54/563623454.db2.gz KJVQZQAKUBMYMG-STQMWFEESA-N 1 0 328.909 3.571 50 0 EHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1cccs1 ZINC000008472369 563630815 /nfs/dbraw/zinc/63/08/15/563630815.db2.gz JJSTUGQVFGIPLM-HNNXBMFYSA-N 1 0 333.453 3.604 50 0 EHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000013673714 563709693 /nfs/dbraw/zinc/70/96/93/563709693.db2.gz CHDLDTLAEWBKTB-UHFFFAOYSA-N 1 0 329.271 3.989 50 0 EHAARO C[NH+](C)Cc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1 ZINC000032845829 563761978 /nfs/dbraw/zinc/76/19/78/563761978.db2.gz WWSVXLLXMIFJOX-UHFFFAOYSA-N 1 0 330.859 3.651 50 0 EHAARO CC(C)[C@@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000014670914 563762691 /nfs/dbraw/zinc/76/26/91/563762691.db2.gz DJEJBSFPKGTCAQ-HXUWFJFHSA-N 1 0 346.421 3.610 50 0 EHAARO O=C(NCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000016396245 563810249 /nfs/dbraw/zinc/81/02/49/563810249.db2.gz XMHZFVYQHIEQKB-UHFFFAOYSA-N 1 0 342.870 3.868 50 0 EHAARO CC[NH+]1CCC(NC(=O)c2csc(C)c2-c2ccccc2)CC1 ZINC000016580276 563815364 /nfs/dbraw/zinc/81/53/64/563815364.db2.gz ASYZKVAQQDONTB-UHFFFAOYSA-N 1 0 328.481 3.938 50 0 EHAARO O=C(CCCc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016602610 563815741 /nfs/dbraw/zinc/81/57/41/563815741.db2.gz JBYZLYJYEMSXLV-UHFFFAOYSA-N 1 0 336.479 3.790 50 0 EHAARO C[N@@H+](Cc1cc(Br)cs1)C[C@H](O)c1ccccc1 ZINC000016662618 563819720 /nfs/dbraw/zinc/81/97/20/563819720.db2.gz GAFAHCNNRPVCOP-AWEZNQCLSA-N 1 0 326.259 3.676 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1F)c1cccs1 ZINC000043450618 563872859 /nfs/dbraw/zinc/87/28/59/563872859.db2.gz YFWFTMQWCVZCRJ-GFCCVEGCSA-N 1 0 341.839 3.965 50 0 EHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccncc2)cc1 ZINC000025521307 563885423 /nfs/dbraw/zinc/88/54/23/563885423.db2.gz GWRCGJMFCLCIAV-UHFFFAOYSA-N 1 0 345.446 3.740 50 0 EHAARO CCNC(=O)C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000027414671 563895794 /nfs/dbraw/zinc/89/57/94/563895794.db2.gz SCSQCEKMOJXBLK-UHFFFAOYSA-N 1 0 336.888 3.903 50 0 EHAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2O)c2cccs2)CC1 ZINC000027573562 563896620 /nfs/dbraw/zinc/89/66/20/563896620.db2.gz FGSWEXJCUMHLFU-INIZCTEOSA-N 1 0 344.480 3.657 50 0 EHAARO COc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027663921 563898509 /nfs/dbraw/zinc/89/85/09/563898509.db2.gz KAWRGXJUPRJTLP-KRWDZBQOSA-N 1 0 344.480 3.714 50 0 EHAARO Cc1ccc(C(C)C)c(COC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000022130504 563918563 /nfs/dbraw/zinc/91/85/63/563918563.db2.gz AXXJCUIXRRRGQT-CMKODMSKSA-N 1 0 333.516 3.974 50 0 EHAARO CC[N@H+](Cc1c(C)n(C)n(-c2ccccc2)c1=O)Cc1ccccc1 ZINC000057395105 563935553 /nfs/dbraw/zinc/93/55/53/563935553.db2.gz KCPKKORJEREDMF-UHFFFAOYSA-N 1 0 335.451 3.507 50 0 EHAARO CC(C)CCOc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000058063082 563937072 /nfs/dbraw/zinc/93/70/72/563937072.db2.gz OAURJCRGELRYJC-UHFFFAOYSA-N 1 0 332.488 3.716 50 0 EHAARO CC(C)[NH+]1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1 ZINC000058357061 563943604 /nfs/dbraw/zinc/94/36/04/563943604.db2.gz KWYHJUGDPLMBQN-UHFFFAOYSA-N 1 0 336.435 3.681 50 0 EHAARO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058392516 563944606 /nfs/dbraw/zinc/94/46/06/563944606.db2.gz FJVFQUWQMUMZGC-INIZCTEOSA-N 1 0 339.483 3.748 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccco2)[C@@H]1c1cccs1 ZINC000096423089 563951774 /nfs/dbraw/zinc/95/17/74/563951774.db2.gz OLGQEWYLKUJKMS-ZAWACTRJSA-N 1 0 330.453 3.554 50 0 EHAARO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000096478490 563955158 /nfs/dbraw/zinc/95/51/58/563955158.db2.gz ACORLNWPTVIWOC-UONOGXRCSA-N 1 0 337.510 3.681 50 0 EHAARO CS(=O)(=O)c1cccc([C@H]([NH2+]CC2CCC2)c2ccccc2)c1 ZINC000096483899 563955325 /nfs/dbraw/zinc/95/53/25/563955325.db2.gz VSCQGLKTWABVLA-LJQANCHMSA-N 1 0 329.465 3.569 50 0 EHAARO Cc1nc(-c2ccccc2)sc1C[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000065369949 563958253 /nfs/dbraw/zinc/95/82/53/563958253.db2.gz OKLBNRYRLDEPOC-AWEZNQCLSA-N 1 0 343.496 3.655 50 0 EHAARO CN(CCC[C@@H]1CCCO1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000065404325 563959993 /nfs/dbraw/zinc/95/99/93/563959993.db2.gz GWXQHMDLEXEUBZ-HXUWFJFHSA-N 1 0 344.499 3.704 50 0 EHAARO COc1ccc(-c2nccn2Cc2ccccn2)cc1C[NH+]1CCCC1 ZINC000067725217 563962588 /nfs/dbraw/zinc/96/25/88/563962588.db2.gz KAILMMXBSWMJMI-UHFFFAOYSA-N 1 0 348.450 3.598 50 0 EHAARO O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000033128905 563963615 /nfs/dbraw/zinc/96/36/15/563963615.db2.gz STZQXSZXDIVMTN-UHFFFAOYSA-N 1 0 349.356 3.956 50 0 EHAARO Cc1cccc(CN2CCC([NH2+][C@H](C)c3cnc(C)nc3C)CC2)c1 ZINC000097016543 563966717 /nfs/dbraw/zinc/96/67/17/563966717.db2.gz CIKVDICTDNEJSQ-QGZVFWFLSA-N 1 0 338.499 3.717 50 0 EHAARO CCCn1ccnc1-c1nccn1C1CC[NH+](Cc2ccco2)CC1 ZINC000077298503 563968810 /nfs/dbraw/zinc/96/88/10/563968810.db2.gz WLBAQAMHCCMVTM-UHFFFAOYSA-N 1 0 339.443 3.587 50 0 EHAARO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000077378093 563969290 /nfs/dbraw/zinc/96/92/90/563969290.db2.gz KFLNSVUSVVVLRZ-LJQANCHMSA-N 1 0 349.482 3.593 50 0 EHAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2ccccc2-n2cccn2)c1 ZINC000077553998 563970315 /nfs/dbraw/zinc/97/03/15/563970315.db2.gz TZZIQUAFNWDOMV-LJQANCHMSA-N 1 0 335.455 3.514 50 0 EHAARO COCc1cccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000097231445 563970754 /nfs/dbraw/zinc/97/07/54/563970754.db2.gz HTYUYRRLJDWJRK-UZLBHIALSA-N 1 0 325.456 3.551 50 0 EHAARO C[C@H](Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000097037802 563971321 /nfs/dbraw/zinc/97/13/21/563971321.db2.gz XHXGGTHTSDNDLN-HNNXBMFYSA-N 1 0 328.431 3.956 50 0 EHAARO CCC[C@@H]1C[N@H+](Cc2[nH]c3ccc(Cl)cc3c2C)C[C@H]1NC(C)=O ZINC000082099824 563972272 /nfs/dbraw/zinc/97/22/72/563972272.db2.gz ABARLMPOWYIPNV-AUUYWEPGSA-N 1 0 347.890 3.866 50 0 EHAARO c1ccc(-c2cccc(N3CCC([NH2+]Cc4ccncn4)CC3)c2)cc1 ZINC000023231341 563974536 /nfs/dbraw/zinc/97/45/36/563974536.db2.gz SYMFWTKFRUUSJL-UHFFFAOYSA-N 1 0 344.462 3.902 50 0 EHAARO c1cc(-c2nc([C@@H]3CCOC3)no2)ccc1C[NH+]1CCCCCC1 ZINC000096130550 563979361 /nfs/dbraw/zinc/97/93/61/563979361.db2.gz KNYVXWRXTKHEDD-QGZVFWFLSA-N 1 0 327.428 3.617 50 0 EHAARO COc1ccc(-c2nc3c([nH]2)C[N@@H+]([C@@H](C)CCSC)CC3)cc1 ZINC000096139572 563979474 /nfs/dbraw/zinc/97/94/74/563979474.db2.gz SLJVVJOEZJTBRJ-ZDUSSCGKSA-N 1 0 331.485 3.585 50 0 EHAARO Cc1ccc2[nH+]ccc(N(C)Cc3nc(-c4ccccn4)no3)c2c1 ZINC000096163648 563979938 /nfs/dbraw/zinc/97/99/38/563979938.db2.gz KINXPYOHDJUFKK-UHFFFAOYSA-N 1 0 331.379 3.625 50 0 EHAARO CCn1nc(C2CCOCC2)nc1C1([NH+]2CCCCC2)CCCCC1 ZINC000096180936 563980076 /nfs/dbraw/zinc/98/00/76/563980076.db2.gz VANFRICVYMIVKK-UHFFFAOYSA-N 1 0 346.519 3.837 50 0 EHAARO CC1(C)CC(N[S@](=O)c2ccc3ccccc3c2)CC(C)(C)[NH2+]1 ZINC000000101576 563983832 /nfs/dbraw/zinc/98/38/32/563983832.db2.gz SLXQDWNEMRJNFQ-QHCPKHFHSA-N 1 0 330.497 3.761 50 0 EHAARO C[C@]1(O)CC[N@H+](C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000408524660 563993255 /nfs/dbraw/zinc/99/32/55/563993255.db2.gz XDRMUIFAYDSHSY-XIRDDKMYSA-N 1 0 343.389 3.630 50 0 EHAARO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C3CCCC3)[C@H](C)C2)s1 ZINC000252477376 563997667 /nfs/dbraw/zinc/99/76/67/563997667.db2.gz MRTTXROIICQFIL-LBTNJELSSA-N 1 0 349.544 3.604 50 0 EHAARO CC(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000156769224 564009411 /nfs/dbraw/zinc/00/94/11/564009411.db2.gz FIOXHHSWVFQXID-KRWDZBQOSA-N 1 0 343.471 3.537 50 0 EHAARO COc1cc(C[NH2+]Cc2cccc(Br)c2)cc(OC)c1 ZINC000002738390 564013427 /nfs/dbraw/zinc/01/34/27/564013427.db2.gz ODFPLNIQBISNKE-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO O=C(C[C@@H]1CCCN1Cc1nc(-c2ccco2)no1)c1cccs1 ZINC000177397760 564013890 /nfs/dbraw/zinc/01/38/90/564013890.db2.gz NRWUZFFLAHRHFF-LBPRGKRZSA-N 1 0 343.408 3.629 50 0 EHAARO CCCCO[C@@H]1C[C@@H](N(C)Cc2nc([C@H](C)OCC)no2)C1(C)C ZINC000106923514 564026759 /nfs/dbraw/zinc/02/67/59/564026759.db2.gz FIGJLMWLZLGTCW-RRFJBIMHSA-N 1 0 339.480 3.583 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000107504876 564026956 /nfs/dbraw/zinc/02/69/56/564026956.db2.gz YPSBWQZYAKETEB-VFVRVIDISA-N 1 0 336.426 3.653 50 0 EHAARO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](C)Cn3ccnc3C)C2)cc1 ZINC000107532799 564027003 /nfs/dbraw/zinc/02/70/03/564027003.db2.gz VKEKHRYWWSAWLS-GPMSIDNRSA-N 1 0 327.472 3.714 50 0 EHAARO Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000108145667 564027904 /nfs/dbraw/zinc/02/79/04/564027904.db2.gz IABCQJMIUGTWTH-GUYCJALGSA-N 1 0 349.837 3.538 50 0 EHAARO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c(Br)c1 ZINC000108490453 564028294 /nfs/dbraw/zinc/02/82/94/564028294.db2.gz SGKAVXBGEIDYGJ-SRVKXCTJSA-N 1 0 328.250 3.533 50 0 EHAARO CC(C)[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc2c(c1)OCCO2 ZINC000047698229 564029626 /nfs/dbraw/zinc/02/96/26/564029626.db2.gz UBGKHLILLLMJGD-IBGZPJMESA-N 1 0 341.407 3.673 50 0 EHAARO CCn1c(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)nc2ccccc21 ZINC000048234805 564030145 /nfs/dbraw/zinc/03/01/45/564030145.db2.gz ZRFYGMYQBPQHCX-AWEZNQCLSA-N 1 0 348.450 3.792 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccccc1 ZINC000048280114 564030643 /nfs/dbraw/zinc/03/06/43/564030643.db2.gz ZWEDJFGTSHSGJD-LJQANCHMSA-N 1 0 338.455 3.600 50 0 EHAARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccc(Cl)cc3)cn2)n1 ZINC000048742356 564032137 /nfs/dbraw/zinc/03/21/37/564032137.db2.gz DLUZGKIMDUUTIE-UHFFFAOYSA-N 1 0 326.831 3.827 50 0 EHAARO COc1ccc(OC)c(CNc2[nH+]cc(-c3ccc(F)cc3)n2C)c1 ZINC000000819103 564035241 /nfs/dbraw/zinc/03/52/41/564035241.db2.gz KCJPHIFGAYCDQF-UHFFFAOYSA-N 1 0 341.386 3.856 50 0 EHAARO CC[C@H]1CN(C(=O)c2ccccc2-c2ccccc2F)CC[N@@H+]1C ZINC000222800344 564037899 /nfs/dbraw/zinc/03/78/99/564037899.db2.gz VIRFFWNPYLAUHF-HNNXBMFYSA-N 1 0 326.415 3.659 50 0 EHAARO COc1cc([C@@H](C)[NH2+]Cc2c[nH]nc2C)ccc1SC(F)F ZINC000225545353 564047696 /nfs/dbraw/zinc/04/76/96/564047696.db2.gz AYHNOOSRNJMENE-SECBINFHSA-N 1 0 327.400 3.892 50 0 EHAARO C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000241287503 564051952 /nfs/dbraw/zinc/05/19/52/564051952.db2.gz LLZCFVYVWFMQID-PWIZWCRZSA-N 1 0 331.456 3.594 50 0 EHAARO O=C(CC[N@@H+]1CCCC2(CCOCC2)C1)Nc1ccc(Cl)cc1 ZINC000244796131 564052302 /nfs/dbraw/zinc/05/23/02/564052302.db2.gz RTOBRYDJSDYRDK-UHFFFAOYSA-N 1 0 336.863 3.561 50 0 EHAARO Cc1cc(C)c(NC(=O)CC[N@@H+](C)C[C@H]2CCCCO2)c(Cl)c1 ZINC000244899452 564052313 /nfs/dbraw/zinc/05/23/13/564052313.db2.gz ZKDRHTWFVUOLRY-OAHLLOKOSA-N 1 0 338.879 3.786 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]CC2CCOCC2)cc1Br ZINC000052178160 564053775 /nfs/dbraw/zinc/05/37/75/564053775.db2.gz PJAOPVHGBVUXQT-LLVKDONJSA-N 1 0 328.250 3.535 50 0 EHAARO COc1ccc(F)cc1[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000237182225 564057445 /nfs/dbraw/zinc/05/74/45/564057445.db2.gz FFUPGKSETIWZDH-NSHDSACASA-N 1 0 334.357 3.512 50 0 EHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2ccco2)CC1 ZINC000043990959 564059048 /nfs/dbraw/zinc/05/90/48/564059048.db2.gz UPSOOMOWHWSJBG-UHFFFAOYSA-N 1 0 344.480 3.644 50 0 EHAARO CC[C@@H](NC(=O)N1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000534589453 564061204 /nfs/dbraw/zinc/06/12/04/564061204.db2.gz CQTZPOFDAMARKF-LJQANCHMSA-N 1 0 329.488 3.655 50 0 EHAARO COc1cc(C)c(-c2cccc(C(=O)N3CCC[C@@H]([NH3+])C3)c2)cc1C ZINC000534648678 564061528 /nfs/dbraw/zinc/06/15/28/564061528.db2.gz ZRZBXGDDUGVJSW-GOSISDBHSA-N 1 0 338.451 3.542 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccccc2C(F)(F)F)N1 ZINC000001408226 564065294 /nfs/dbraw/zinc/06/52/94/564065294.db2.gz TUOQDYUKQRGGMJ-CYBMUJFWSA-N 1 0 331.301 3.552 50 0 EHAARO C[NH+](C)Cc1cccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000012743325 564065532 /nfs/dbraw/zinc/06/55/32/564065532.db2.gz UIRZRVSFPDJJLO-UHFFFAOYSA-N 1 0 326.484 3.581 50 0 EHAARO O=C(NCc1ccc(F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012774396 564069190 /nfs/dbraw/zinc/06/91/90/564069190.db2.gz PULAIOIOGJUBGU-UHFFFAOYSA-N 1 0 326.415 3.742 50 0 EHAARO c1cc(C[NH2+]C2CCCC2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000015728206 564072476 /nfs/dbraw/zinc/07/24/76/564072476.db2.gz HIMQSUYMEWTXBL-UHFFFAOYSA-N 1 0 345.516 3.741 50 0 EHAARO Cc1nc(C)c(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)s1 ZINC000086258276 564075492 /nfs/dbraw/zinc/07/54/92/564075492.db2.gz TUMQXHYICFJKJN-UHFFFAOYSA-N 1 0 345.512 3.576 50 0 EHAARO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cnc2ccccc2c1 ZINC000096179499 564076266 /nfs/dbraw/zinc/07/62/66/564076266.db2.gz QUBNTZOVUQHMTF-HNNXBMFYSA-N 1 0 341.455 3.676 50 0 EHAARO CSc1ccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000089143012 564081837 /nfs/dbraw/zinc/08/18/37/564081837.db2.gz MBMRKQPGDRYWQU-UHFFFAOYSA-N 1 0 334.529 3.925 50 0 EHAARO Cc1cnccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000121927234 564084833 /nfs/dbraw/zinc/08/48/33/564084833.db2.gz KXUCCXFQWJDVFX-INIZCTEOSA-N 1 0 339.395 3.530 50 0 EHAARO C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000090667444 564085820 /nfs/dbraw/zinc/08/58/20/564085820.db2.gz RAXBHTJREDDUTB-QAPCUYQASA-N 1 0 331.504 3.543 50 0 EHAARO COc1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000239539177 564088164 /nfs/dbraw/zinc/08/81/64/564088164.db2.gz AVQRSXCEGMQWEE-CGTJXYLNSA-N 1 0 335.875 3.828 50 0 EHAARO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000241926502 564088434 /nfs/dbraw/zinc/08/84/34/564088434.db2.gz UGQFKQZCGJOCJM-SPUZQDLCSA-N 1 0 348.487 3.534 50 0 EHAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000243932516 564088562 /nfs/dbraw/zinc/08/85/62/564088562.db2.gz BWSBEPRSVTVIBO-LEWJYISDSA-N 1 0 328.500 3.924 50 0 EHAARO CS[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1[NH+](C)C ZINC000089314096 564089632 /nfs/dbraw/zinc/08/96/32/564089632.db2.gz RLDNKEMOGWCJJY-OLZOCXBDSA-N 1 0 348.299 3.503 50 0 EHAARO Cc1ccc2nc(C[N@@H+](Cc3ccccc3)CC(C)C)cc(=O)n2c1 ZINC000064590857 564092620 /nfs/dbraw/zinc/09/26/20/564092620.db2.gz NBXJXNWAMWPUJH-UHFFFAOYSA-N 1 0 335.451 3.661 50 0 EHAARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cccs3)cc1)C2 ZINC000426612731 564094231 /nfs/dbraw/zinc/09/42/31/564094231.db2.gz XZVIXNNSWZKUPB-HXUWFJFHSA-N 1 0 340.492 3.973 50 0 EHAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2)s1 ZINC000036100926 564096126 /nfs/dbraw/zinc/09/61/26/564096126.db2.gz TWVVKDURZAZQNI-KRWDZBQOSA-N 1 0 333.497 3.954 50 0 EHAARO C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)C(c1ccccc1)c1ccccc1 ZINC000170057841 564105147 /nfs/dbraw/zinc/10/51/47/564105147.db2.gz GXQDNGGNNMQYFR-FXAWDEMLSA-N 1 0 348.490 3.713 50 0 EHAARO O=c1oc2ccccc2n1CCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000065607964 564108258 /nfs/dbraw/zinc/10/82/58/564108258.db2.gz RDTVPBRZIIVNCC-KRWDZBQOSA-N 1 0 338.407 3.527 50 0 EHAARO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000170594022 564108995 /nfs/dbraw/zinc/10/89/95/564108995.db2.gz FIGOXULFSBHRMH-XOKHGSTOSA-N 1 0 328.481 3.630 50 0 EHAARO Cc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)C2CC2)o1 ZINC000170626893 564110577 /nfs/dbraw/zinc/11/05/77/564110577.db2.gz JFLGOGLKSFFKNU-NRFANRHFSA-N 1 0 342.483 3.901 50 0 EHAARO CC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013320537 564111434 /nfs/dbraw/zinc/11/14/34/564111434.db2.gz SYYMZANMWHMPOB-UHFFFAOYSA-N 1 0 349.784 3.965 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249679992 564111669 /nfs/dbraw/zinc/11/16/69/564111669.db2.gz AAZAVONODRBHGA-JJXSEGSLSA-N 1 0 346.437 3.830 50 0 EHAARO Cc1nc([C@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000089709061 564113366 /nfs/dbraw/zinc/11/33/66/564113366.db2.gz GRPVRPNOKKOFJI-LBPRGKRZSA-N 1 0 339.505 3.749 50 0 EHAARO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000089866594 564114437 /nfs/dbraw/zinc/11/44/37/564114437.db2.gz HORJZYDPACONRA-OAHLLOKOSA-N 1 0 341.480 3.585 50 0 EHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000076057401 564115055 /nfs/dbraw/zinc/11/50/55/564115055.db2.gz ZLWADQUDGPXTNT-BBRMVZONSA-N 1 0 342.405 3.688 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1F ZINC000089948675 564115717 /nfs/dbraw/zinc/11/57/17/564115717.db2.gz FEJKGUCCZVMYDE-OGHNNQOOSA-N 1 0 336.426 3.653 50 0 EHAARO CCSc1ccc([C@@H](C)NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000236937094 564117700 /nfs/dbraw/zinc/11/77/00/564117700.db2.gz DZUNIDTVRMZRCV-KDOFPFPSSA-N 1 0 328.481 3.718 50 0 EHAARO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2nc[nH]c21 ZINC000252482484 564119202 /nfs/dbraw/zinc/11/92/02/564119202.db2.gz DGRYJRSEINHSOG-IEBWSBKVSA-N 1 0 349.409 3.875 50 0 EHAARO CSc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1F ZINC000195543625 564123663 /nfs/dbraw/zinc/12/36/63/564123663.db2.gz FBOMXCSDTBBFGV-UHFFFAOYSA-N 1 0 333.432 3.526 50 0 EHAARO C[C@]12CC3CC(C(=O)N[C@@H]4CC[N@@H+]5CCC[C@@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000095949520 564142358 /nfs/dbraw/zinc/14/23/58/564142358.db2.gz UDAXJCVJNFABGB-ATAVBESUSA-N 1 0 330.516 3.726 50 0 EHAARO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095954810 564142515 /nfs/dbraw/zinc/14/25/15/564142515.db2.gz DZWFLHIDKSFIKW-LSTHTHJFSA-N 1 0 341.499 3.624 50 0 EHAARO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cnc3ccsc3c2)c1 ZINC000095968320 564143193 /nfs/dbraw/zinc/14/31/93/564143193.db2.gz UVLJRXOVKGADHE-CYBMUJFWSA-N 1 0 339.464 3.549 50 0 EHAARO NC(=O)c1csc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000096003281 564144456 /nfs/dbraw/zinc/14/44/56/564144456.db2.gz XREMXMUFLMSSDW-UHFFFAOYSA-N 1 0 337.448 3.618 50 0 EHAARO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000096479326 564148568 /nfs/dbraw/zinc/14/85/68/564148568.db2.gz NIDRUNALENPODI-OAHLLOKOSA-N 1 0 347.480 3.648 50 0 EHAARO C[C@@H](C[N@@H+]1CCC[C@H]1c1nncn1C)c1ccc(C(F)(F)F)cc1 ZINC000283324382 564148899 /nfs/dbraw/zinc/14/88/99/564148899.db2.gz OXJVSTILDSUQJO-WFASDCNBSA-N 1 0 338.377 3.775 50 0 EHAARO C[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cn1 ZINC000097038221 564149264 /nfs/dbraw/zinc/14/92/64/564149264.db2.gz YQBXGWRJPPBJGS-HNNXBMFYSA-N 1 0 343.446 3.598 50 0 EHAARO CC[C@H]([NH2+]C[C@H]1CCO[C@H]1c1cnn(CC)c1)c1ccc(F)cc1F ZINC000299754060 564150673 /nfs/dbraw/zinc/15/06/73/564150673.db2.gz SYMHHTHZAYNWNH-ZNZDAUKMSA-N 1 0 349.425 4.000 50 0 EHAARO C[NH+](C)[C@H](CNC(=S)Nc1cccc(Cl)c1)c1ccccc1 ZINC000002644121 564151780 /nfs/dbraw/zinc/15/17/80/564151780.db2.gz WPWDZSOOCOBLJC-MRXNPFEDSA-N 1 0 333.888 3.929 50 0 EHAARO CC(C)Oc1cccc(CNC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000057466425 564154400 /nfs/dbraw/zinc/15/44/00/564154400.db2.gz YAAWGTQPCXMDFV-UHFFFAOYSA-N 1 0 347.503 3.585 50 0 EHAARO CC[C@@H](CNC(=O)c1ccc(F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000029909332 564154715 /nfs/dbraw/zinc/15/47/15/564154715.db2.gz BSKLTSRNCUKWDV-KRWDZBQOSA-N 1 0 344.405 3.532 50 0 EHAARO C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000003292704 564157103 /nfs/dbraw/zinc/15/71/03/564157103.db2.gz ZZHSRMSYRWWEDN-AWEZNQCLSA-N 1 0 339.464 3.797 50 0 EHAARO Cc1cccc(NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)c1 ZINC000031090815 564158781 /nfs/dbraw/zinc/15/87/81/564158781.db2.gz HCDOOOTYDZBPHW-UHFFFAOYSA-N 1 0 329.469 3.796 50 0 EHAARO Cc1ccc2ncccc2c1CNC(=O)[C@@H](C)n1ccnc1C(C)C ZINC000670447804 564159116 /nfs/dbraw/zinc/15/91/16/564159116.db2.gz YGBYKUMXKRYCHJ-OAHLLOKOSA-N 1 0 336.439 3.741 50 0 EHAARO Cc1cccnc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670453137 564159603 /nfs/dbraw/zinc/15/96/03/564159603.db2.gz TUWDLTFDRUIKPV-LJQANCHMSA-N 1 0 337.467 3.737 50 0 EHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000008184970 564163399 /nfs/dbraw/zinc/16/33/99/564163399.db2.gz XJTCHXTWGFCNSO-HNNXBMFYSA-N 1 0 333.432 3.846 50 0 EHAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCCCc1ccccc1 ZINC000008320557 564164312 /nfs/dbraw/zinc/16/43/12/564164312.db2.gz OLIQUSGBLARNHN-KRWDZBQOSA-N 1 0 328.481 3.634 50 0 EHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000008779572 564167414 /nfs/dbraw/zinc/16/74/14/564167414.db2.gz UGJFMIPUVGYYGY-UHFFFAOYSA-N 1 0 349.478 3.570 50 0 EHAARO CC(C)c1nc2c(n1C)CC[N@H+](CCCc1nc3ccccc3o1)C2 ZINC000069664962 564171409 /nfs/dbraw/zinc/17/14/09/564171409.db2.gz PKNYPDKWLVGODE-UHFFFAOYSA-N 1 0 338.455 3.676 50 0 EHAARO Clc1ccc(C[N@@H+]2CCCC[C@H]2Cn2cncn2)c2ncccc12 ZINC000069740937 564171901 /nfs/dbraw/zinc/17/19/01/564171901.db2.gz ZMVWBWXRQMTTJU-HNNXBMFYSA-N 1 0 341.846 3.534 50 0 EHAARO CC1=C[C@H](C)O[C@@H](c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)C1 ZINC000022017969 1017295636 /nfs/dbraw/zinc/29/56/36/1017295636.db2.gz NREKQQJAYSTICF-HFSMHLIXSA-N 1 0 345.483 3.708 50 0 EHAARO CC(C)[N@@H+]1CC2(CCN(C(=O)C3CCC3)CC2)[C@H]1c1ccccc1 ZINC000169791887 1032661577 /nfs/dbraw/zinc/66/15/77/1032661577.db2.gz QRGMWWZWRQQXCO-LJQANCHMSA-N 1 0 326.484 3.861 50 0 EHAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000020599911 1018190368 /nfs/dbraw/zinc/19/03/68/1018190368.db2.gz WAFAMLPOHDLYLO-QFIPXVFZSA-N 1 0 339.479 3.555 50 0 EHAARO C[NH2+]C1CCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000237086625 1019249620 /nfs/dbraw/zinc/24/96/20/1019249620.db2.gz YCDKZKMEXOAZGW-HWKANZROSA-N 1 0 346.780 3.582 50 0 EHAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2sc3ccccc3c2Cl)C1 ZINC000178978636 1024200995 /nfs/dbraw/zinc/20/09/95/1024200995.db2.gz WLPRPYZTWFYQKA-NNNHXZLVSA-N 1 0 334.872 3.636 50 0 EHAARO CSc1ccc(C(=O)[C@H]2CCCN(Cc3cc(C)n[nH]3)C2)cc1 ZINC000023129243 1028444087 /nfs/dbraw/zinc/44/40/87/1028444087.db2.gz BATWRDDSNHAMED-HNNXBMFYSA-N 1 0 329.469 3.535 50 0 EHAARO O=C(/C=C/c1ccc(F)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000016259254 1029910933 /nfs/dbraw/zinc/91/09/33/1029910933.db2.gz ISQPXACBEVQLTG-YPNIWSFNSA-N 1 0 338.426 3.792 50 0 EHAARO Cn1cc([C@H]([NH2+]Cc2cccc3c2OC(F)(F)O3)C(C)(C)C)cn1 ZINC000414373259 1037095221 /nfs/dbraw/zinc/09/52/21/1037095221.db2.gz ZDIBTOCCSBRQQA-HNNXBMFYSA-N 1 0 337.370 3.619 50 0 EHAARO COc1ccc2nc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)sc2c1 ZINC000187084115 1037197705 /nfs/dbraw/zinc/19/77/05/1037197705.db2.gz FHDKMEKDOWPMAD-HNNXBMFYSA-N 1 0 345.512 3.613 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)C1 ZINC000178337316 1038147117 /nfs/dbraw/zinc/14/71/17/1038147117.db2.gz VNXOHRHSOMRESC-JWAFFJSPSA-N 1 0 340.389 3.567 50 0 EHAARO Fc1cccc(C[N@@H+]2CC[C@@H](Cc3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000257195115 1038549630 /nfs/dbraw/zinc/54/96/30/1038549630.db2.gz VKMXPBWBXLJXAQ-INIZCTEOSA-N 1 0 336.414 3.675 50 0 EHAARO CC(C)CN1CCCn2ccnc2[C@@H]1C1CC[NH+](CC(C)C)CC1 ZINC000257196857 1038563079 /nfs/dbraw/zinc/56/30/79/1038563079.db2.gz YZPNJKRPHNPQGF-IBGZPJMESA-N 1 0 332.536 3.654 50 0 EHAARO CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000333283539 1041729195 /nfs/dbraw/zinc/72/91/95/1041729195.db2.gz MXBQFZYGHRDCTB-SQNIBIBYSA-N 1 0 346.519 3.532 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC1CCCCC1 ZINC000048344332 1042314046 /nfs/dbraw/zinc/31/40/46/1042314046.db2.gz XAKKQWQYWCJGPC-UHFFFAOYSA-N 1 0 329.488 3.804 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCCC3(CC3)C2)CC1 ZINC000185565671 1126941873 /nfs/dbraw/zinc/94/18/73/1126941873.db2.gz FMOUJNFZNNMYSC-UHFFFAOYSA-N 1 0 341.499 3.545 50 0 EHAARO Cc1cc(C[N@@H+]2CCC[C@@](CO)(CCOc3ccccc3)C2)oc1C ZINC000012197193 1129411281 /nfs/dbraw/zinc/41/12/81/1129411281.db2.gz PGPBBFMUIHRBAE-OAQYLSRUSA-N 1 0 343.467 3.940 50 0 EHAARO CCn1nc(C2(c3ccccc3)CC2)nc1-c1ccc(C[NH+](C)C)o1 ZINC000823599581 1131072908 /nfs/dbraw/zinc/07/29/08/1131072908.db2.gz DBWLHKOWELAHBF-UHFFFAOYSA-N 1 0 336.439 3.700 50 0 EHAARO Cc1ccc(C[N@@H+]2CC[C@H](n3c(C)cnc3C3CCOCC3)C2)s1 ZINC000575548787 1131572429 /nfs/dbraw/zinc/57/24/29/1131572429.db2.gz JSBVSEFSENOWHM-KRWDZBQOSA-N 1 0 345.512 3.902 50 0 EHAARO Cc1cccc(CC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)CC2)c1 ZINC000581788085 1132356284 /nfs/dbraw/zinc/35/62/84/1132356284.db2.gz SKQAMPDNLYGERN-FQEVSTJZSA-N 1 0 342.527 3.898 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000581806121 1132368498 /nfs/dbraw/zinc/36/84/98/1132368498.db2.gz LMOSLYLGOOSZIN-HNNXBMFYSA-N 1 0 344.484 3.620 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000581814069 1132376376 /nfs/dbraw/zinc/37/63/76/1132376376.db2.gz RXFLJICRIWGCNZ-KRWDZBQOSA-N 1 0 329.488 3.888 50 0 EHAARO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cnc3n1CCCC3)CCCO2 ZINC000585081482 1136966842 /nfs/dbraw/zinc/96/68/42/1136966842.db2.gz WIMKDSXETAZNKB-INIZCTEOSA-N 1 0 331.847 3.876 50 0 EHAARO Cc1ccc(Nc2ccccc2C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000585089252 1136989554 /nfs/dbraw/zinc/98/95/54/1136989554.db2.gz MNYYVYIDIVDSEB-LJQANCHMSA-N 1 0 337.467 3.938 50 0 EHAARO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC(C)(c2ccc(F)cc2)C1 ZINC000952961852 1137483633 /nfs/dbraw/zinc/48/36/33/1137483633.db2.gz PLKRSQBJCLIEBT-URTYCYGZSA-N 1 0 332.463 3.529 50 0 EHAARO c1csc(-c2ncc(CN3CCO[C@H](c4ccccc4)C3)cn2)c1 ZINC000952978975 1137484823 /nfs/dbraw/zinc/48/48/23/1137484823.db2.gz MKPWOSAEEAWZLL-KRWDZBQOSA-N 1 0 337.448 3.779 50 0 EHAARO CC(C)Cn1cncc1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000952987843 1137485624 /nfs/dbraw/zinc/48/56/24/1137485624.db2.gz JXRODTRMRGGUTP-UHFFFAOYSA-N 1 0 326.469 3.952 50 0 EHAARO Cc1cc(NC(=O)c2cccc(C[NH+](C)C)c2)cc2sc(N)nc21 ZINC000952991057 1137485731 /nfs/dbraw/zinc/48/57/31/1137485731.db2.gz LIPJKGIKGUHRPG-UHFFFAOYSA-N 1 0 340.452 3.501 50 0 EHAARO C[N@H+](Cc1ccoc1)C1CCN(c2cccc(-c3cc[nH]n3)c2)CC1 ZINC000023398222 1137965231 /nfs/dbraw/zinc/96/52/31/1137965231.db2.gz KOCHOQSYIPDCLD-UHFFFAOYSA-N 1 0 336.439 3.771 50 0 EHAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000004744990 210267925 /nfs/dbraw/zinc/26/79/25/210267925.db2.gz NGZGVRZUOVROIX-FQEVSTJZSA-N 1 0 328.500 3.864 50 0 EHAARO COc1ccc(-c2nn(-c3ccccc3)cc2CSC(N)=[NH2+])cc1 ZINC000004724860 210261189 /nfs/dbraw/zinc/26/11/89/210261189.db2.gz YCJDRLDTCODBBQ-UHFFFAOYSA-N 1 0 338.436 3.675 50 0 EHAARO Cc1noc([C@@H]2CCC[N@H+](CCCOc3ccc(Cl)cc3)C2)n1 ZINC000052862017 214149955 /nfs/dbraw/zinc/14/99/55/214149955.db2.gz XRKWRKNOANPBLP-CQSZACIVSA-N 1 0 335.835 3.680 50 0 EHAARO C[N@@H+](Cc1ccc(Br)s1)C[C@@H](O)c1ccccc1 ZINC000053399874 214181279 /nfs/dbraw/zinc/18/12/79/214181279.db2.gz PTNXPUSKKYRKLO-CYBMUJFWSA-N 1 0 326.259 3.676 50 0 EHAARO Cc1c[nH+]ccc1N1CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000097717428 219050718 /nfs/dbraw/zinc/05/07/18/219050718.db2.gz KLFZAEYRMXEVSH-LJQANCHMSA-N 1 0 341.455 3.547 50 0 EHAARO CCc1oc(C(=O)NCc2cc(F)ccc2C)cc1C[NH+]1CCCC1 ZINC000055131517 214278313 /nfs/dbraw/zinc/27/83/13/214278313.db2.gz RZDYMQMQLQEFJX-UHFFFAOYSA-N 1 0 344.430 3.815 50 0 EHAARO COCC[N@H+](Cc1ccsc1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055359604 214311133 /nfs/dbraw/zinc/31/11/33/214311133.db2.gz ZOAFZGJWQQPVRI-UHFFFAOYSA-N 1 0 345.443 3.926 50 0 EHAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc2ccccc2n1 ZINC000055404499 214319611 /nfs/dbraw/zinc/31/96/11/214319611.db2.gz DLKQNYDWFUYPNF-UHFFFAOYSA-N 1 0 339.464 3.500 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc2cnccc21)C1CCCCC1 ZINC000058109466 214479290 /nfs/dbraw/zinc/47/92/90/214479290.db2.gz STGWJXHFMHCICB-LJQANCHMSA-N 1 0 340.471 3.867 50 0 EHAARO COc1cccc([C@H](C[NH2+]Cc2cccc(F)c2)N2CCCC2)c1 ZINC000098078627 219080014 /nfs/dbraw/zinc/08/00/14/219080014.db2.gz DYMRHNYFRJKYPL-FQEVSTJZSA-N 1 0 328.431 3.761 50 0 EHAARO COc1cccc([C@@H](C[NH2+]Cc2cccc(F)c2)N2CCCC2)c1 ZINC000098078626 219080174 /nfs/dbraw/zinc/08/01/74/219080174.db2.gz DYMRHNYFRJKYPL-HXUWFJFHSA-N 1 0 328.431 3.761 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000048236187 213900533 /nfs/dbraw/zinc/90/05/33/213900533.db2.gz SKLYDYKIXSWZMJ-GJZGRUSLSA-N 1 0 344.430 3.793 50 0 EHAARO CCOc1ccc(C(=O)OCC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004028472 210103336 /nfs/dbraw/zinc/10/33/36/210103336.db2.gz LMVFSJKEPVNMKH-VQIMIIECSA-N 1 0 331.456 3.897 50 0 biogenic EHAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000003349373 210015742 /nfs/dbraw/zinc/01/57/42/210015742.db2.gz IXCXLGDLLRCSKO-IEBWSBKVSA-N 1 0 327.468 3.943 50 0 EHAARO COc1cccc(-c2noc3c2C[N@H+](CCCc2cccnc2)CC3)c1 ZINC000067473247 215152082 /nfs/dbraw/zinc/15/20/82/215152082.db2.gz DUAVIXLMAIFJLP-UHFFFAOYSA-N 1 0 349.434 3.736 50 0 EHAARO O=C(OCc1ccccc1)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042773684 213533137 /nfs/dbraw/zinc/53/31/37/213533137.db2.gz ZWZWUUNSPZEBBS-IBGZPJMESA-N 1 0 339.435 3.955 50 0 EHAARO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000067774933 215210274 /nfs/dbraw/zinc/21/02/74/215210274.db2.gz XPIVWXSNDYHNMR-MRXNPFEDSA-N 1 0 339.483 3.609 50 0 EHAARO COc1cc(OC)cc([C@H]2c3[nH]cnc3CC[N@H+]2CC2CCCC2)c1 ZINC000067855735 215233859 /nfs/dbraw/zinc/23/38/59/215233859.db2.gz MDDFPZYZRKSTIO-FQEVSTJZSA-N 1 0 341.455 3.565 50 0 EHAARO Cc1ccc(OCC[NH2+]C2CCCC2)c(I)c1 ZINC000002845417 209926686 /nfs/dbraw/zinc/92/66/86/209926686.db2.gz FENJWWNQHIBNSY-UHFFFAOYSA-N 1 0 345.224 3.511 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc2c(c1)OCO2 ZINC000040153564 213274885 /nfs/dbraw/zinc/27/48/85/213274885.db2.gz BKRMIOFXCDNLIO-OAHLLOKOSA-N 1 0 344.436 3.643 50 0 EHAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+]CCC1=CCCCC1 ZINC000040153203 213274337 /nfs/dbraw/zinc/27/43/37/213274337.db2.gz ORAJZZGXSTUQHV-UHFFFAOYSA-N 1 0 325.412 3.786 50 0 EHAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000040153474 213274808 /nfs/dbraw/zinc/27/48/08/213274808.db2.gz UIGAIEDEDLGRPM-LPHOPBHVSA-N 1 0 331.481 3.771 50 0 EHAARO CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040016110 213250135 /nfs/dbraw/zinc/25/01/35/213250135.db2.gz CEGUERIHAKJPEB-INIZCTEOSA-N 1 0 347.484 3.710 50 0 EHAARO C[NH+]1CCC(Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)CC1 ZINC000036613478 213101482 /nfs/dbraw/zinc/10/14/82/213101482.db2.gz GPFXVNNAHQSIRC-UHFFFAOYSA-N 1 0 342.390 3.730 50 0 EHAARO CC(C)(C)OC(=O)NC1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000036379433 213091520 /nfs/dbraw/zinc/09/15/20/213091520.db2.gz UQJNAVAVPRBBMW-UHFFFAOYSA-N 1 0 329.444 3.657 50 0 EHAARO CC(C)CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COCc1ccco1 ZINC000036030959 213056549 /nfs/dbraw/zinc/05/65/49/213056549.db2.gz GHQSIWXGGSRCFB-GOSISDBHSA-N 1 0 349.446 3.845 50 0 EHAARO Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(F)c1 ZINC000071388770 215767989 /nfs/dbraw/zinc/76/79/89/215767989.db2.gz PZGDOYCRPONSDY-LJQANCHMSA-N 1 0 332.463 3.717 50 0 EHAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1Cl ZINC000189724327 237184831 /nfs/dbraw/zinc/18/48/31/237184831.db2.gz FYFBDJCGJDITRH-ZDUSSCGKSA-N 1 0 334.826 3.785 50 0 EHAARO CN(Cc1cccc2ncccc12)C(=O)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000072124102 216016084 /nfs/dbraw/zinc/01/60/84/216016084.db2.gz JRLXHNISFVYHTN-SFHVURJKSA-N 1 0 345.446 3.584 50 0 EHAARO O=c1[nH]ccc2cc(-c3cc(O)cc(CC[C@H]4CCCC[NH2+]4)c3)ccc21 ZINC000072133329 216022385 /nfs/dbraw/zinc/02/23/85/216022385.db2.gz PXWMOUMSRIRXBK-LJQANCHMSA-N 1 0 348.446 3.975 50 0 EHAARO CC[C@H](CNc1nc(-c2ccncc2)nc2ccccc21)[NH+]1CCCC1 ZINC000029627307 212675736 /nfs/dbraw/zinc/67/57/36/212675736.db2.gz UVSVNSXFRBDHQE-QGZVFWFLSA-N 1 0 347.466 3.978 50 0 EHAARO CN1C[C@@]2(CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)OC1=O ZINC000072422248 216211876 /nfs/dbraw/zinc/21/18/76/216211876.db2.gz QDBDWHKTKAGORD-GOSISDBHSA-N 1 0 346.814 3.627 50 0 EHAARO CC[NH+](CC)[C@@H](CNc1nn2cc(C)nc2s1)c1ccccc1 ZINC000026693779 212531037 /nfs/dbraw/zinc/53/10/37/212531037.db2.gz ADIRHVBNPAVTGR-HNNXBMFYSA-N 1 0 329.473 3.594 50 0 EHAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000024754423 212438008 /nfs/dbraw/zinc/43/80/08/212438008.db2.gz ULCSOXXQGPXUKG-WBMJQRKESA-N 1 0 344.842 3.953 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccs1)c1cccc(OC)c1 ZINC000022700532 212318746 /nfs/dbraw/zinc/31/87/46/212318746.db2.gz FYMNWUDDVUDTJA-INIZCTEOSA-N 1 0 332.469 3.570 50 0 EHAARO CSC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCOCC1 ZINC000195557718 241006858 /nfs/dbraw/zinc/00/68/58/241006858.db2.gz UDWOOAJEUJVMNQ-HNNXBMFYSA-N 1 0 325.449 3.541 50 0 EHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000215029220 241103510 /nfs/dbraw/zinc/10/35/10/241103510.db2.gz VMRBTNMEAIZQQU-FQEVSTJZSA-N 1 0 334.423 3.613 50 0 EHAARO CSc1ncc(CN2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000215283358 241117048 /nfs/dbraw/zinc/11/70/48/241117048.db2.gz WERKNMBVGHRKQE-SFHVURJKSA-N 1 0 342.512 3.597 50 0 EHAARO CSc1ncc(CN2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cn1 ZINC000215283403 241118544 /nfs/dbraw/zinc/11/85/44/241118544.db2.gz WERKNMBVGHRKQE-GOSISDBHSA-N 1 0 342.512 3.597 50 0 EHAARO Cc1[nH]c2c(cccc2CN2CC[NH+](C3CCSCC3)CC2)c1C ZINC000215995262 241155585 /nfs/dbraw/zinc/15/55/85/241155585.db2.gz BFDUWYLLXOUBKR-UHFFFAOYSA-N 1 0 343.540 3.798 50 0 EHAARO COc1ccc2[nH]c(C[N@H+](C)CCc3scnc3C)c(C)c2c1 ZINC000216125032 241166432 /nfs/dbraw/zinc/16/64/32/241166432.db2.gz NESUAKMBMXGRBJ-UHFFFAOYSA-N 1 0 329.469 3.924 50 0 EHAARO Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000216235581 241174596 /nfs/dbraw/zinc/17/45/96/241174596.db2.gz QADNQTNQRYRWPC-OAHLLOKOSA-N 1 0 332.517 3.877 50 0 EHAARO Cc1ccccc1-c1cccc(CN2CC[NH+](CCCCO)CC2)c1 ZINC000215435093 241125653 /nfs/dbraw/zinc/12/56/53/241125653.db2.gz IDOBUGMHPLURMY-UHFFFAOYSA-N 1 0 338.495 3.552 50 0 EHAARO CC1CCN(c2nnc(-n3cccc3C[NH+]3CCCCC3)s2)CC1 ZINC000020942747 212190992 /nfs/dbraw/zinc/19/09/92/212190992.db2.gz XFJFDVLBKYYTLD-UHFFFAOYSA-N 1 0 345.516 3.551 50 0 EHAARO C/C(=C\c1ccco1)C[NH2+][C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000020914877 212186214 /nfs/dbraw/zinc/18/62/14/212186214.db2.gz TUAVBQPCYPKAGO-KEWOFRHOSA-N 1 0 336.479 3.904 50 0 EHAARO CCn1nc(C)c([C@@H](C)NC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000243892829 243028976 /nfs/dbraw/zinc/02/89/76/243028976.db2.gz ALTFUAMAKTYVPX-CYBMUJFWSA-N 1 0 348.535 3.644 50 0 EHAARO Cc1ccc(Cc2ccccc2C(=O)N2CCC[C@H]([NH3+])CC2)cc1F ZINC000244678780 243058122 /nfs/dbraw/zinc/05/81/22/243058122.db2.gz IJYGXAQDVBITRK-SFHVURJKSA-N 1 0 340.442 3.678 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)c(OC)c1)[NH2+]CC2 ZINC000020506964 212141657 /nfs/dbraw/zinc/14/16/57/212141657.db2.gz FXVLVWKINHGWJV-FQEVSTJZSA-N 1 0 345.414 3.867 50 0 EHAARO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000253630238 244042875 /nfs/dbraw/zinc/04/28/75/244042875.db2.gz PGOVWNRZGZGMPF-MAUKXSAKSA-N 1 0 333.439 3.807 50 0 EHAARO COc1ccc(CC[NH2+]Cc2cc(-c3ccc(OC)cc3)no2)cc1 ZINC000019933537 212086752 /nfs/dbraw/zinc/08/67/52/212086752.db2.gz WPZFLOGLCLROGU-UHFFFAOYSA-N 1 0 338.407 3.691 50 0 EHAARO OCC1CCN([C@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000019792850 212068088 /nfs/dbraw/zinc/06/80/88/212068088.db2.gz PIXGWHSTYZZFJR-SFHVURJKSA-N 1 0 344.524 3.570 50 0 EHAARO C[NH+](C)Cc1cc(CNc2ncnc3cc(F)c(F)cc32)ccc1F ZINC000078262186 217035397 /nfs/dbraw/zinc/03/53/97/217035397.db2.gz JSORGOCLPCGIBL-UHFFFAOYSA-N 1 0 346.356 3.721 50 0 EHAARO COc1cc(C[NH2+][C@@H]2COc3c2ccc(C)c3C)cc(OC)c1OC ZINC000078553866 217075477 /nfs/dbraw/zinc/07/54/77/217075477.db2.gz LXTGQTCROHXJMJ-MRXNPFEDSA-N 1 0 343.423 3.553 50 0 EHAARO CCc1nc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)cs1 ZINC000078663115 217096955 /nfs/dbraw/zinc/09/69/55/217096955.db2.gz DQOSQBIHAOAFQI-ZDUSSCGKSA-N 1 0 330.375 3.548 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@H](CC)C1 ZINC000089948855 217894574 /nfs/dbraw/zinc/89/45/74/217894574.db2.gz PAGJQNQOABTBGA-CXAGYDPISA-N 1 0 332.419 3.699 50 0 EHAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@@H+](C1CCCCC1)C2 ZINC000012315567 211344687 /nfs/dbraw/zinc/34/46/87/211344687.db2.gz FMFXJEPWMCGTQY-OAQYLSRUSA-N 1 0 344.474 3.973 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1c[nH]c2ccccc12 ZINC000012300853 211337481 /nfs/dbraw/zinc/33/74/81/211337481.db2.gz SIPLNEDCLKKOIF-SFHVURJKSA-N 1 0 347.462 3.605 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)cc1O ZINC000012197631 211317245 /nfs/dbraw/zinc/31/72/45/211317245.db2.gz CONJAXNQFKZCBF-KRWDZBQOSA-N 1 0 330.403 3.616 50 0 EHAARO Cc1ccccc1[C@@H](CC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000012072825 211285897 /nfs/dbraw/zinc/28/58/97/211285897.db2.gz RFYJXEFTNXLIAV-NRFANRHFSA-N 1 0 336.479 3.681 50 0 EHAARO c1ccc(-c2cnnc(NCC3([NH+]4CCCCC4)CCCC3)n2)cc1 ZINC000011814533 211250746 /nfs/dbraw/zinc/25/07/46/211250746.db2.gz XXKOIQZFJRBEAT-UHFFFAOYSA-N 1 0 337.471 3.749 50 0 EHAARO COCC[N@H+](Cc1nc(-c2ccc(OC)cc2F)oc1C)C(C)C ZINC000011878872 211262684 /nfs/dbraw/zinc/26/26/84/211262684.db2.gz ULNGHJVKPCFZKW-UHFFFAOYSA-N 1 0 336.407 3.655 50 0 EHAARO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc4occc4c3)C2)N1CC1CCC1 ZINC000091526685 218017756 /nfs/dbraw/zinc/01/77/56/218017756.db2.gz MRWBVKRNRJEZGQ-RBUKOAKNSA-N 1 0 338.451 3.656 50 0 EHAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)cc1C ZINC000091550674 218020174 /nfs/dbraw/zinc/02/01/74/218020174.db2.gz JABYXKQONCSAMC-UHFFFAOYSA-N 1 0 326.484 3.670 50 0 EHAARO C[N@@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)C2=CCCC2)C1 ZINC000011843088 211256600 /nfs/dbraw/zinc/25/66/00/211256600.db2.gz PGKNGKMJJUPXEU-IBGZPJMESA-N 1 0 326.484 3.510 50 0 EHAARO O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)CN1C1CC1 ZINC000091594938 218029164 /nfs/dbraw/zinc/02/91/64/218029164.db2.gz UARGXKHURYCOFI-UHFFFAOYSA-N 1 0 332.875 3.707 50 0 EHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](CC2CC2)C1 ZINC000011770393 211246660 /nfs/dbraw/zinc/24/66/60/211246660.db2.gz VJLFNOJENDORHC-HXUWFJFHSA-N 1 0 331.456 3.511 50 0 EHAARO CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000092062270 218111510 /nfs/dbraw/zinc/11/15/10/218111510.db2.gz PZJDPYOLYXQHRQ-OXJNMPFZSA-N 1 0 341.524 3.802 50 0 EHAARO Cc1cc[n+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 ZINC000009722425 211119770 /nfs/dbraw/zinc/11/97/70/211119770.db2.gz RGKBIDHJXGFYKQ-GOSISDBHSA-N 1 0 331.439 3.760 50 0 EHAARO CC(C)CC[C@]1(CC(=O)NCCC[NH+](C)C)CCO[C@H](C(C)C)C1 ZINC000009577188 211104757 /nfs/dbraw/zinc/10/47/57/211104757.db2.gz YHGRPYNJENYRNB-ICSRJNTNSA-N 1 0 340.552 3.702 50 0 EHAARO Cc1ccc([C@H]2CN(c3nccs3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095356681 218290883 /nfs/dbraw/zinc/29/08/83/218290883.db2.gz OCHFGPDHGKHHAJ-KZNAEPCWSA-N 1 0 325.481 3.518 50 0 EHAARO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCOC2)c1 ZINC000095373459 218307095 /nfs/dbraw/zinc/30/70/95/218307095.db2.gz ZZHBWDIOFOVZJL-HNNXBMFYSA-N 1 0 339.464 3.727 50 0 EHAARO Brc1ccc2c(c1)CC[C@@H]([NH2+]CCc1nccs1)C2 ZINC000095381615 218313301 /nfs/dbraw/zinc/31/33/01/218313301.db2.gz NNIOARSUZJLSQU-CQSZACIVSA-N 1 0 337.286 3.595 50 0 EHAARO Cc1cccc(CSCCCNC(=O)[C@H]2CCCCC[N@H+]2C)c1 ZINC000095383200 218315814 /nfs/dbraw/zinc/31/58/14/218315814.db2.gz GYXFMXXBGUFCGS-GOSISDBHSA-N 1 0 334.529 3.609 50 0 EHAARO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C)n1C(C)C ZINC000008778386 211006120 /nfs/dbraw/zinc/00/61/20/211006120.db2.gz KSPYJPLPQIXHTE-SFHVURJKSA-N 1 0 343.471 3.846 50 0 EHAARO CCCn1c(C[NH2+]C[C@H]2CCCn3cc(C)nc32)nc2ccccc21 ZINC000095402062 218336117 /nfs/dbraw/zinc/33/61/17/218336117.db2.gz DWEZRPYRJSSXKN-MRXNPFEDSA-N 1 0 337.471 3.618 50 0 EHAARO CC(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000095419540 218359933 /nfs/dbraw/zinc/35/99/33/218359933.db2.gz UZNZGYVQNVAGKZ-SFHVURJKSA-N 1 0 331.504 3.814 50 0 EHAARO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H](O)c1c(F)cccc1F ZINC000095415525 218354067 /nfs/dbraw/zinc/35/40/67/218354067.db2.gz WVIPRQZSPJMSDF-QFYYESIMSA-N 1 0 338.423 3.901 50 0 EHAARO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H](O)c1c(F)cccc1F ZINC000095415527 218354128 /nfs/dbraw/zinc/35/41/28/218354128.db2.gz WVIPRQZSPJMSDF-MGPLVRAMSA-N 1 0 338.423 3.901 50 0 EHAARO COCCOc1ncccc1C[NH2+][C@@H]1C[C@H](C)Sc2ccccc21 ZINC000095420362 218361029 /nfs/dbraw/zinc/36/10/29/218361029.db2.gz UVHDNAWSYJUKJG-WMLDXEAASA-N 1 0 344.480 3.822 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cccs1 ZINC000095420846 218361505 /nfs/dbraw/zinc/36/15/05/218361505.db2.gz XJZVPKOTIVVMQM-CVEARBPZSA-N 1 0 330.497 3.820 50 0 EHAARO CCCCCCOc1cccc(C[N@H+](CCO)C2CCN(C)CC2)c1 ZINC000095430359 218372644 /nfs/dbraw/zinc/37/26/44/218372644.db2.gz LXLKKKWMGJIPJP-UHFFFAOYSA-N 1 0 348.531 3.534 50 0 EHAARO FC(F)(F)c1csc([C@@H]2CCC[N@H+](CCc3ccncc3)C2)n1 ZINC000095432361 218375228 /nfs/dbraw/zinc/37/52/28/218375228.db2.gz RHAAAVBYCSUNAV-CYBMUJFWSA-N 1 0 341.402 3.979 50 0 EHAARO CC[N@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C(C)(C)CO ZINC000095446718 218390577 /nfs/dbraw/zinc/39/05/77/218390577.db2.gz LCYCOJHGRBZMQD-UHFFFAOYSA-N 1 0 337.407 3.900 50 0 EHAARO COc1cc([C@H](C)[NH2+]C[C@@H]2CC(=O)Nc3ccccc32)ccc1F ZINC000095453751 218397744 /nfs/dbraw/zinc/39/77/44/218397744.db2.gz GLBHYJFYPBSCGG-JSGCOSHPSA-N 1 0 328.387 3.611 50 0 EHAARO CSc1cc(C)ccc1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000095969303 218474768 /nfs/dbraw/zinc/47/47/68/218474768.db2.gz PCBGNZWPKYYLFA-UHFFFAOYSA-N 1 0 341.524 3.866 50 0 EHAARO CC1CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1 ZINC000007459565 210803470 /nfs/dbraw/zinc/80/34/70/210803470.db2.gz WUSQKJRZFPKMPD-UHFFFAOYSA-N 1 0 336.233 3.731 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000005044952 210372673 /nfs/dbraw/zinc/37/26/73/210372673.db2.gz VTOTZHZPJYFTJL-PXXWCDJASA-N 1 0 349.559 3.948 50 0 EHAARO COc1cc(C[NH2+]C2CCCC2)ccc1OC[C@H](O)c1ccccc1 ZINC000004867598 210307044 /nfs/dbraw/zinc/30/70/44/210307044.db2.gz LEFVRXOMVVUFKQ-IBGZPJMESA-N 1 0 341.451 3.840 50 0 EHAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004834096 210291634 /nfs/dbraw/zinc/29/16/34/210291634.db2.gz WIYQPGDOIYFSQF-SCRDCRAPSA-N 1 0 332.271 3.996 50 0 EHAARO C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cccc(-c3ccco3)c1)C2 ZINC000299771396 258083815 /nfs/dbraw/zinc/08/38/15/258083815.db2.gz WGDSTHJQNHZVOQ-MNZLEMJZSA-N 1 0 339.439 3.751 50 0 EHAARO O=C(Nc1cccc(Cc2ccccc2)c1)N1CC([NH+]2CCCCC2)C1 ZINC000299791752 258097504 /nfs/dbraw/zinc/09/75/04/258097504.db2.gz FMUPYIOXSGGFHX-UHFFFAOYSA-N 1 0 349.478 3.979 50 0 EHAARO COCC(C)(C)c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299795079 258099915 /nfs/dbraw/zinc/09/99/15/258099915.db2.gz KSFQHHYWCCRSGJ-BBWFWOEESA-N 1 0 341.455 3.687 50 0 EHAARO CC(C)(C[NH+]1CCC(CC(=O)N2CCCC2)CC1)c1ccccc1 ZINC000179782127 527078216 /nfs/dbraw/zinc/07/82/16/527078216.db2.gz OXHNKHAVIGBMOE-UHFFFAOYSA-N 1 0 328.500 3.689 50 0 EHAARO CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)C[NH+]1CCCC1 ZINC000169681417 528622308 /nfs/dbraw/zinc/62/23/08/528622308.db2.gz UVXCNEOSWPXSJW-OAHLLOKOSA-N 1 0 330.472 3.800 50 0 EHAARO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1 ZINC000241720949 535804830 /nfs/dbraw/zinc/80/48/30/535804830.db2.gz QTPHZYPCBNFQIZ-DOTOQJQBSA-N 1 0 328.481 3.951 50 0 EHAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000095982190 564143731 /nfs/dbraw/zinc/14/37/31/564143731.db2.gz SNRAKAZNSPVVCI-YAYRXMPBSA-N 1 0 327.465 3.565 50 0 EHAARO CCOC(=O)c1cccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000002515056 563435980 /nfs/dbraw/zinc/43/59/80/563435980.db2.gz AZHOJVUWBRQDOC-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO O=C(NCC1CC[NH2+]CC1)OCC1c2ccccc2-c2ccccc21 ZINC000002585703 563443608 /nfs/dbraw/zinc/44/36/08/563443608.db2.gz CSMNJTURMINRQR-UHFFFAOYSA-N 1 0 336.435 3.525 50 0 EHAARO CC[NH+]1CCN(c2nc(C)nc3sc(-c4ccccc4)cc32)CC1 ZINC000005555313 563539692 /nfs/dbraw/zinc/53/96/92/563539692.db2.gz CWQYMWNABHHDQG-UHFFFAOYSA-N 1 0 338.480 3.809 50 0 EHAARO CC[C@H](NC(=O)N(CC[NH+](C)C)C1CCCCC1)c1ccc(O)cc1 ZINC000584890997 563563056 /nfs/dbraw/zinc/56/30/56/563563056.db2.gz BRZXGUIUESCJRT-IBGZPJMESA-N 1 0 347.503 3.749 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1F ZINC000012980770 563681323 /nfs/dbraw/zinc/68/13/23/563681323.db2.gz ZXMAMIOWWQBRKM-SFHVURJKSA-N 1 0 327.403 3.784 50 0 EHAARO CC(C)CC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717775 563715736 /nfs/dbraw/zinc/71/57/36/563715736.db2.gz KYBRVWURDAAHFO-UHFFFAOYSA-N 1 0 337.427 3.590 50 0 EHAARO CC[NH+](CC)CCSCC(=O)Nc1cccc(-c2ncco2)c1C ZINC000359138598 563729930 /nfs/dbraw/zinc/72/99/30/563729930.db2.gz QFKQHUIIRRCZKM-UHFFFAOYSA-N 1 0 347.484 3.664 50 0 EHAARO COc1ccc(-n2ncc([C@H](C)[NH2+]C3CCSCC3)c2C)cc1 ZINC000015067871 563775678 /nfs/dbraw/zinc/77/56/78/563775678.db2.gz REWFDLHNUMVACR-ZDUSSCGKSA-N 1 0 331.485 3.736 50 0 EHAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)cc1F ZINC000015073495 563775976 /nfs/dbraw/zinc/77/59/76/563775976.db2.gz CWPUBZJMROIGGC-OAHLLOKOSA-N 1 0 346.377 3.770 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2o1 ZINC000015582501 563787629 /nfs/dbraw/zinc/78/76/29/563787629.db2.gz KELJXCNRAYVPHC-UHFFFAOYSA-N 1 0 334.419 3.827 50 0 EHAARO O=C(CCCc1cccs1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911542 563804381 /nfs/dbraw/zinc/80/43/81/563804381.db2.gz UFCNEJNBGBKSCI-SFHVURJKSA-N 1 0 342.508 3.852 50 0 EHAARO CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000023228133 563866190 /nfs/dbraw/zinc/86/61/90/563866190.db2.gz WHHXIAPPMYYDPW-HXUWFJFHSA-N 1 0 337.467 3.571 50 0 EHAARO C[NH+](C)Cc1ccccc1NC(=O)Cc1ccc(Br)cc1 ZINC000024810104 563875977 /nfs/dbraw/zinc/87/59/77/563875977.db2.gz HMZWPPRURSZTEH-UHFFFAOYSA-N 1 0 347.256 3.692 50 0 EHAARO CCOc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000027664296 563898493 /nfs/dbraw/zinc/89/84/93/563898493.db2.gz NXMKPXJEYNPHSY-QGZVFWFLSA-N 1 0 344.480 3.714 50 0 EHAARO C[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCc2ccccc21 ZINC000029488682 563906708 /nfs/dbraw/zinc/90/67/08/563906708.db2.gz ZDHHMCYHEJZULS-FQEVSTJZSA-N 1 0 348.446 3.682 50 0 EHAARO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029810757 563908675 /nfs/dbraw/zinc/90/86/75/563908675.db2.gz XAWNEKLVZMCCOA-MRXNPFEDSA-N 1 0 348.899 3.979 50 0 EHAARO CC[C@H]([NH2+][C@H]1CCSc2c(F)cccc21)C(=O)Nc1cc(C)on1 ZINC000030504779 563909819 /nfs/dbraw/zinc/90/98/19/563909819.db2.gz WIZSOVOWABQGIY-KBPBESRZSA-N 1 0 349.431 3.666 50 0 EHAARO c1cnn(-c2ccc(CC[NH2+]Cc3cccc4cccnc43)cc2)c1 ZINC000030655558 563910229 /nfs/dbraw/zinc/91/02/29/563910229.db2.gz QGQKKCSWXQLNKC-UHFFFAOYSA-N 1 0 328.419 3.753 50 0 EHAARO Cc1cccc2c(=O)n(CC[N@@H+]3CCC[C@@H](c4ccccc4)C3)cnc12 ZINC000043089124 563925228 /nfs/dbraw/zinc/92/52/28/563925228.db2.gz MVYHBXLVEOHAIX-LJQANCHMSA-N 1 0 347.462 3.585 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2cc3ccc(C)cc3[nH]2)C2CC2)CC1 ZINC000058261506 563941001 /nfs/dbraw/zinc/94/10/01/563941001.db2.gz VYEBEDDXRYKTPX-UHFFFAOYSA-N 1 0 325.456 3.565 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC000058393644 563944722 /nfs/dbraw/zinc/94/47/22/563944722.db2.gz QEZZAMDKWUYQTN-CYBMUJFWSA-N 1 0 328.378 3.556 50 0 EHAARO C[NH+](C)CCn1cc(C(=O)N[C@H]2CCc3ccccc32)c2ccccc21 ZINC000058426362 563946035 /nfs/dbraw/zinc/94/60/35/563946035.db2.gz DXJVTFWAXMWHHQ-FQEVSTJZSA-N 1 0 347.462 3.620 50 0 EHAARO O=C(C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1)NC1CCCCCC1 ZINC000058430087 563946210 /nfs/dbraw/zinc/94/62/10/563946210.db2.gz OKAQKYNEBASSJN-IBGZPJMESA-N 1 0 332.463 3.672 50 0 EHAARO Cc1nc(-c2ccccc2)sc1C[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000065369950 563958229 /nfs/dbraw/zinc/95/82/29/563958229.db2.gz OKLBNRYRLDEPOC-CQSZACIVSA-N 1 0 343.496 3.655 50 0 EHAARO CCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000033068915 563960001 /nfs/dbraw/zinc/96/00/01/563960001.db2.gz WAHOICXDHHYXKJ-UHFFFAOYSA-N 1 0 347.871 3.822 50 0 EHAARO COCc1ncc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cn1 ZINC000071614750 563964641 /nfs/dbraw/zinc/96/46/41/563964641.db2.gz WBOLNEOPRBPBRK-QGZVFWFLSA-N 1 0 343.446 3.607 50 0 EHAARO CC[C@@]1(O)CCC[N@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000071715047 563964820 /nfs/dbraw/zinc/96/48/20/563964820.db2.gz YTCHXBKXAFMTNI-LJQANCHMSA-N 1 0 348.418 3.535 50 0 EHAARO CC[C@H]1C[N@H+](Cc2cccs2)CCC(=O)N1Cc1ccccc1 ZINC000071752103 563965155 /nfs/dbraw/zinc/96/51/55/563965155.db2.gz KUGMJJSTCGCYKW-KRWDZBQOSA-N 1 0 328.481 3.761 50 0 EHAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(c1ccccc1)c1ccccc1 ZINC000060567733 563965901 /nfs/dbraw/zinc/96/59/01/563965901.db2.gz QHEVYQLMQVNZQY-PMACEKPBSA-N 1 0 334.463 3.562 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(SC)c(F)c2)c1 ZINC000097016615 563966698 /nfs/dbraw/zinc/96/66/98/563966698.db2.gz MVUGQPNNMTWICM-GFCCVEGCSA-N 1 0 332.444 3.758 50 0 EHAARO Cc1c2cc(C)ccc2oc1C(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000077377219 563969277 /nfs/dbraw/zinc/96/92/77/563969277.db2.gz NIXRCKBFBOBEAB-CQSZACIVSA-N 1 0 326.440 3.748 50 0 EHAARO Cc1cc2cc(C(=O)N3CCN(c4cc(C)[nH+]c(C)c4)CC3)ccc2o1 ZINC000077390256 563969350 /nfs/dbraw/zinc/96/93/50/563969350.db2.gz XCWLXDQEVAIRDP-UHFFFAOYSA-N 1 0 349.434 3.715 50 0 EHAARO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000077504898 563970022 /nfs/dbraw/zinc/97/00/22/563970022.db2.gz QYMFQYTXYAWQFE-QGZVFWFLSA-N 1 0 336.414 3.990 50 0 EHAARO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(c4cn[nH]c4)CC3)o2)c1 ZINC000097203302 563970464 /nfs/dbraw/zinc/97/04/64/563970464.db2.gz PAOAEDZSISFLKM-AWEZNQCLSA-N 1 0 337.427 3.709 50 0 EHAARO CC(C)[C@H]([NH2+]Cc1cc2ccnc(Cl)c2s1)c1nncn1C ZINC000585136611 563971922 /nfs/dbraw/zinc/97/19/22/563971922.db2.gz MXEOUYFBVLZWTL-LBPRGKRZSA-N 1 0 335.864 3.565 50 0 EHAARO CC(C)n1cncc1Cn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000082039487 563971949 /nfs/dbraw/zinc/97/19/49/563971949.db2.gz GNKRQBGJXKYBMS-UHFFFAOYSA-N 1 0 344.422 3.833 50 0 EHAARO Cc1[nH]c2c(cccc2C(=O)N(C)C[C@@H]2CC[N@H+](C)C2(C)C)c1C ZINC000096166419 563979958 /nfs/dbraw/zinc/97/99/58/563979958.db2.gz XLXDSMLMMZLMDC-HNNXBMFYSA-N 1 0 327.472 3.587 50 0 EHAARO CCn1ccc2cc(C(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)ccc21 ZINC000097642248 563981745 /nfs/dbraw/zinc/98/17/45/563981745.db2.gz QHWNOGZBKPZCNW-SFHVURJKSA-N 1 0 338.455 3.702 50 0 EHAARO Cc1ccc(-c2nnc(N3CC[NH+](C)CC3)c3ccccc32)cc1C ZINC000000142972 563987137 /nfs/dbraw/zinc/98/71/37/563987137.db2.gz BGYFFQBAMGKVNV-UHFFFAOYSA-N 1 0 332.451 3.665 50 0 EHAARO COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000237177314 563989077 /nfs/dbraw/zinc/98/90/77/563989077.db2.gz MYLWTRDIBZUQIV-CQSZACIVSA-N 1 0 329.419 3.549 50 0 EHAARO CC(=O)Nc1ccc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272708338 564007479 /nfs/dbraw/zinc/00/74/79/564007479.db2.gz BZZQQXKWJHKOQG-LPHOPBHVSA-N 1 0 337.467 3.968 50 0 EHAARO CC(C)C(C)(C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000190015714 564016951 /nfs/dbraw/zinc/01/69/51/564016951.db2.gz PVMTVLASSPSVSX-MRXNPFEDSA-N 1 0 346.519 3.588 50 0 EHAARO CC[NH+](CC)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C ZINC000000522397 564021114 /nfs/dbraw/zinc/02/11/14/564021114.db2.gz GHPIIYLSOXBGLF-UHFFFAOYSA-N 1 0 328.456 3.873 50 0 EHAARO COc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc2c1OCCO2 ZINC000014125544 564021450 /nfs/dbraw/zinc/02/14/50/564021450.db2.gz HERCSSLEVKOBHM-GFCCVEGCSA-N 1 0 333.815 3.971 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C2CCCC2)CCCC1 ZINC000000571476 564023696 /nfs/dbraw/zinc/02/36/96/564023696.db2.gz YHFMRGNKMZMGKL-KRWDZBQOSA-N 1 0 326.484 3.722 50 0 EHAARO CCS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000110688538 564025926 /nfs/dbraw/zinc/02/59/26/564025926.db2.gz RYOFYFYYVUKJDA-KWCYVHTRSA-N 1 0 345.505 3.554 50 0 EHAARO Brc1cccc(-c2nnc(C[NH+]3CCCCCC3)o2)c1 ZINC000006823274 564033566 /nfs/dbraw/zinc/03/35/66/564033566.db2.gz LWZVDHNKAQWFSP-UHFFFAOYSA-N 1 0 336.233 3.875 50 0 EHAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(c1ccccc1)c1ccccc1 ZINC000222089781 564036727 /nfs/dbraw/zinc/03/67/27/564036727.db2.gz QHEVYQLMQVNZQY-UXHICEINSA-N 1 0 334.463 3.562 50 0 EHAARO C[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1c1ccccc1 ZINC000237562880 564051454 /nfs/dbraw/zinc/05/14/54/564051454.db2.gz RTRKFVLPPZQZNX-DSLRARGZSA-N 1 0 326.484 3.559 50 0 EHAARO O=C(CCc1ccccc1)N1CCC[N@H+](CC23CCC(CC2)C3)CC1 ZINC000240333615 564051766 /nfs/dbraw/zinc/05/17/66/564051766.db2.gz FEHPOPJLUXHECN-UHFFFAOYSA-N 1 0 340.511 3.734 50 0 EHAARO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000241644254 564052077 /nfs/dbraw/zinc/05/20/77/564052077.db2.gz PPOCVNLBPKXWPS-MDASCCDHSA-N 1 0 329.465 3.639 50 0 EHAARO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)C[C@@H]2[C@@H]1c1ccccc1 ZINC000081942447 564053296 /nfs/dbraw/zinc/05/32/96/564053296.db2.gz NVOFFOINPHZWON-PBEJRMEISA-N 1 0 345.446 3.543 50 0 EHAARO CCC[N@@H+](Cc1ccc(SC)cc1)Cc1cc(=O)c(OC)c[nH]1 ZINC000252486487 564053427 /nfs/dbraw/zinc/05/34/27/564053427.db2.gz HLZDJKREQUBKKU-UHFFFAOYSA-N 1 0 332.469 3.930 50 0 EHAARO CN(C(=O)NCC1C(C)(C)C1(C)C)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000534588809 564061190 /nfs/dbraw/zinc/06/11/90/564061190.db2.gz CDWYSZIDCNQEAL-INIZCTEOSA-N 1 0 331.504 3.613 50 0 EHAARO C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000184628927 564064610 /nfs/dbraw/zinc/06/46/10/564064610.db2.gz QCNAYWGTQWLYAL-KGLIPLIRSA-N 1 0 328.485 3.753 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](c2ccccc2)C1 ZINC000084535931 564068610 /nfs/dbraw/zinc/06/86/10/564068610.db2.gz AZVIFFSLBDTHGX-VXKWHMMOSA-N 1 0 348.490 3.915 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000084736407 564069946 /nfs/dbraw/zinc/06/99/46/564069946.db2.gz AAXHQUOQGCYQHL-BBRMVZONSA-N 1 0 349.544 3.567 50 0 EHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000078897723 564075174 /nfs/dbraw/zinc/07/51/74/564075174.db2.gz AWHQVURPPNRHPK-CZUORRHYSA-N 1 0 342.405 3.688 50 0 EHAARO COc1ccccc1NC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000015861031 564076897 /nfs/dbraw/zinc/07/68/97/564076897.db2.gz KIRXFAYBDMLYAS-UHFFFAOYSA-N 1 0 340.398 3.605 50 0 EHAARO COc1ccc(NC(=O)C2=CC[N@H+](Cc3cccc(C)c3)CC2)cc1 ZINC000015861049 564076968 /nfs/dbraw/zinc/07/69/68/564076968.db2.gz PROKZAZZAZIXNX-UHFFFAOYSA-N 1 0 336.435 3.774 50 0 EHAARO C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000075106049 564080070 /nfs/dbraw/zinc/08/00/70/564080070.db2.gz PQTXWSZLVXTREA-HOCLYGCPSA-N 1 0 344.405 3.748 50 0 EHAARO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2)[C@H]2CCCC[C@]12O ZINC000075260495 564081292 /nfs/dbraw/zinc/08/12/92/564081292.db2.gz PTHIWJYDLMJRBA-CIAFKFPVSA-N 1 0 337.463 3.668 50 0 EHAARO Brc1ccc([C@H](Cc2ccccn2)[NH2+][C@@H]2CCOC2)cc1 ZINC000346162956 564081655 /nfs/dbraw/zinc/08/16/55/564081655.db2.gz CNTBJFBSUGDZPU-SJORKVTESA-N 1 0 347.256 3.506 50 0 EHAARO Cc1cc(C)c2c(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)oc2c1 ZINC000054106014 564089246 /nfs/dbraw/zinc/08/92/46/564089246.db2.gz OWVCKMJKXBONRW-UHFFFAOYSA-N 1 0 348.446 3.732 50 0 EHAARO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000248770213 564089296 /nfs/dbraw/zinc/08/92/96/564089296.db2.gz SNNZCDAPWZYFLB-SQGPQFPESA-N 1 0 338.451 3.771 50 0 EHAARO Cc1csc(C2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)n1 ZINC000191978051 564089761 /nfs/dbraw/zinc/08/97/61/564089761.db2.gz YMUQZDBSUNFEDA-QGZVFWFLSA-N 1 0 341.480 3.584 50 0 EHAARO CC(C)N(CC(F)(F)F)C(=O)c1cccc(-c2c[nH+]ccc2N)c1 ZINC000426506860 564093932 /nfs/dbraw/zinc/09/39/32/564093932.db2.gz TWROLOIWFPIUSJ-UHFFFAOYSA-N 1 0 337.345 3.574 50 0 EHAARO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000426526955 564093979 /nfs/dbraw/zinc/09/39/79/564093979.db2.gz QSMVPRFZAMPBEG-QAPCUYQASA-N 1 0 332.451 3.608 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(C)o3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426547700 564094087 /nfs/dbraw/zinc/09/40/87/564094087.db2.gz WMBCSVUOWWINNX-XKGZKEIXSA-N 1 0 342.439 3.574 50 0 EHAARO Cc1ccc(CNC(=O)C2=CC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000064817977 564096481 /nfs/dbraw/zinc/09/64/81/564096481.db2.gz RWGIJDSOVABCTJ-UHFFFAOYSA-N 1 0 334.463 3.752 50 0 EHAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COCc1ccccc1 ZINC000169678058 564098148 /nfs/dbraw/zinc/09/81/48/564098148.db2.gz MGPIXFHJVZJICS-VQIMIIECSA-N 1 0 333.497 3.926 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2o1 ZINC000064968368 564098751 /nfs/dbraw/zinc/09/87/51/564098751.db2.gz CHJPPIZFEUZJCO-CQSZACIVSA-N 1 0 329.444 3.555 50 0 EHAARO Cc1c2ccccc2oc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000007105565 564104893 /nfs/dbraw/zinc/10/48/93/564104893.db2.gz CTOHLWINBORPSM-UHFFFAOYSA-N 1 0 349.434 3.745 50 0 EHAARO COCc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000170591417 564108784 /nfs/dbraw/zinc/10/87/84/564108784.db2.gz CRGXHQNEZIDALZ-NRFANRHFSA-N 1 0 327.468 3.852 50 0 EHAARO Cc1cc2oc(=O)cc(C[N@@H+]([C@H](C)CO)C3CCCC3)c2cc1C ZINC000170607231 564109620 /nfs/dbraw/zinc/10/96/20/564109620.db2.gz DKGGRELFCFLCJZ-OAHLLOKOSA-N 1 0 329.440 3.535 50 0 EHAARO Cc1csc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000089705761 564113261 /nfs/dbraw/zinc/11/32/61/564113261.db2.gz WWPFDLHYIJYRJC-HNNXBMFYSA-N 1 0 336.505 3.618 50 0 EHAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2)C12CCCCC2 ZINC000076021615 564114566 /nfs/dbraw/zinc/11/45/66/564114566.db2.gz YRZGKKFZEUAKAN-RTBURBONSA-N 1 0 333.472 3.921 50 0 EHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@H](C)C1 ZINC000076057479 564115079 /nfs/dbraw/zinc/11/50/79/564115079.db2.gz VPIOPKRUMQCFJO-PBHICJAKSA-N 1 0 330.497 3.884 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@@H](CC)C1 ZINC000089948854 564115777 /nfs/dbraw/zinc/11/57/77/564115777.db2.gz PAGJQNQOABTBGA-GUYCJALGSA-N 1 0 332.419 3.699 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948885 564115784 /nfs/dbraw/zinc/11/57/84/564115784.db2.gz QAIKWBOVMKUEQL-PBHICJAKSA-N 1 0 340.870 3.852 50 0 EHAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000237497101 564117745 /nfs/dbraw/zinc/11/77/45/564117745.db2.gz KYBTUTIUMIJNER-AGIUHOORSA-N 1 0 328.378 3.537 50 0 EHAARO CC(C)SCC[NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000252503085 564119873 /nfs/dbraw/zinc/11/98/73/564119873.db2.gz UYESTOPLJMGHIM-AWEZNQCLSA-N 1 0 340.508 3.579 50 0 EHAARO Cc1ccc(C[NH2+]Cc2ccnc(O[C@H]3CCOC3)c2)cc1Cl ZINC000195449077 564123488 /nfs/dbraw/zinc/12/34/88/564123488.db2.gz BQOPVJINPNDIKP-INIZCTEOSA-N 1 0 332.831 3.501 50 0 EHAARO O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066157975 564124573 /nfs/dbraw/zinc/12/45/73/564124573.db2.gz AJBDDIVOYDXZSR-HXUWFJFHSA-N 1 0 349.478 3.979 50 0 EHAARO CC[C@@H](NC(=O)N1CC([NH+]2CCCCC2)C1)c1ccc(C)c(C)c1 ZINC000584887161 564131526 /nfs/dbraw/zinc/13/15/26/564131526.db2.gz CYYLOFJOGVNOEQ-LJQANCHMSA-N 1 0 329.488 3.634 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2sc3c(c21)C[C@@H](C)CC3 ZINC000002367648 564133780 /nfs/dbraw/zinc/13/37/80/564133780.db2.gz FKKFHMOVGAKEOG-ZDUSSCGKSA-N 1 0 332.517 3.960 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccsc1 ZINC000013011164 564135921 /nfs/dbraw/zinc/13/59/21/564135921.db2.gz DCEFVDIJQAZAHB-CYBMUJFWSA-N 1 0 326.824 3.573 50 0 EHAARO Cc1nccn1CCCCNC(=O)[C@H](C)CSCc1ccccc1 ZINC000095431013 564140346 /nfs/dbraw/zinc/14/03/46/564140346.db2.gz SCXNVJPINXFTCM-MRXNPFEDSA-N 1 0 345.512 3.657 50 0 EHAARO CCC(C)(C)[NH2+]Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000095469678 564141251 /nfs/dbraw/zinc/14/12/51/564141251.db2.gz CVNZHORRGKQZDG-UHFFFAOYSA-N 1 0 326.400 3.978 50 0 EHAARO COc1cc([C@H](C)[NH2+]C[C@H]2COC(C)(C)O2)ccc1SC(F)F ZINC000095943528 564142081 /nfs/dbraw/zinc/14/20/81/564142081.db2.gz OTINHPAYJVNOAH-JQWIXIFHSA-N 1 0 347.427 3.812 50 0 EHAARO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095954808 564142494 /nfs/dbraw/zinc/14/24/94/564142494.db2.gz DZWFLHIDKSFIKW-NSISKUIASA-N 1 0 341.499 3.624 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c(C)n1 ZINC000095967631 564143065 /nfs/dbraw/zinc/14/30/65/564143065.db2.gz YUOUVJIHJPZAKS-LBPRGKRZSA-N 1 0 330.501 3.712 50 0 EHAARO CCN(CCO)Nc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000096026737 564144974 /nfs/dbraw/zinc/14/49/74/564144974.db2.gz UQNYZCLTLBMVQV-UHFFFAOYSA-N 1 0 345.830 3.691 50 0 EHAARO COc1cc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)ccc1SC ZINC000096479209 564148554 /nfs/dbraw/zinc/14/85/54/564148554.db2.gz XEWIRZVHMURKLR-UVIMBBFXSA-N 1 0 329.465 3.726 50 0 EHAARO COc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1cccc(-c2ncc[nH]2)c1 ZINC000225608604 564149957 /nfs/dbraw/zinc/14/99/57/564149957.db2.gz AVRJOSOMJZWWHQ-ZWKOTPCHSA-N 1 0 347.418 3.505 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OC)cc1)c1ccsc1 ZINC000031097299 564158798 /nfs/dbraw/zinc/15/87/98/564158798.db2.gz RXWXDNPDKKAKHX-KRWDZBQOSA-N 1 0 347.484 3.961 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(OC)c1)c1ccsc1 ZINC000031987646 564160356 /nfs/dbraw/zinc/16/03/56/564160356.db2.gz MXTBPJDMVSLYSZ-KRWDZBQOSA-N 1 0 332.469 3.570 50 0 EHAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2C(F)(F)F)on1 ZINC000066391164 564162255 /nfs/dbraw/zinc/16/22/55/564162255.db2.gz OAEVOKSUQYOEQR-QWRGUYRKSA-N 1 0 341.333 3.680 50 0 EHAARO Cc1cc(C)c(C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1C ZINC000067505290 564166031 /nfs/dbraw/zinc/16/60/31/564166031.db2.gz LTXOJVJEPAHGSV-MRXNPFEDSA-N 1 0 346.496 3.834 50 0 EHAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000069440823 564169492 /nfs/dbraw/zinc/16/94/92/564169492.db2.gz CXLVZIBZXAULSP-MRXNPFEDSA-N 1 0 344.455 3.931 50 0 EHAARO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000069519691 564170123 /nfs/dbraw/zinc/17/01/23/564170123.db2.gz CZUIOFVRUUDSMV-HNNXBMFYSA-N 1 0 345.468 3.871 50 0 EHAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1c3ccccc3oc1CC)CC2 ZINC000069776756 564172173 /nfs/dbraw/zinc/17/21/73/564172173.db2.gz RWCVLJGWGAXQIQ-AWEZNQCLSA-N 1 0 338.455 3.501 50 0 EHAARO O=C(c1ccco1)N1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000071841967 564175898 /nfs/dbraw/zinc/17/58/98/564175898.db2.gz WLTBDSUZAQGFNA-IBGZPJMESA-N 1 0 338.451 3.796 50 0 EHAARO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000071873512 564176273 /nfs/dbraw/zinc/17/62/73/564176273.db2.gz TVYKNFKYJDMDQS-QGZVFWFLSA-N 1 0 344.499 3.505 50 0 EHAARO O=C(CCc1ccccc1)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077103931 564176593 /nfs/dbraw/zinc/17/65/93/564176593.db2.gz JTWKPKWMDLSBHS-UHFFFAOYSA-N 1 0 342.508 3.677 50 0 EHAARO O=C(CC[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1)NC1CCCCC1 ZINC000252500062 568419047 /nfs/dbraw/zinc/41/90/47/568419047.db2.gz SMQFZDFIZFGNPN-UHFFFAOYSA-N 1 0 339.483 3.971 50 0 EHAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)CC1 ZINC000169781493 1032645348 /nfs/dbraw/zinc/64/53/48/1032645348.db2.gz YZQOTNDMERVXHR-OAHLLOKOSA-N 1 0 338.854 3.560 50 0 EHAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000022078368 1017590001 /nfs/dbraw/zinc/59/00/01/1017590001.db2.gz FUTZHFNMNGFUOM-XMSQKQJNSA-N 1 0 336.479 3.934 50 0 EHAARO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(C)cc2)o1 ZINC000284710201 1018191503 /nfs/dbraw/zinc/19/15/03/1018191503.db2.gz JBFRQUTVJYPJIB-QGZVFWFLSA-N 1 0 341.455 3.531 50 0 EHAARO Cc1cccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)c1 ZINC000015100369 1018750380 /nfs/dbraw/zinc/75/03/80/1018750380.db2.gz FCQWHPQYWRKGLT-UHFFFAOYSA-N 1 0 337.419 3.921 50 0 EHAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000072314107 1018793215 /nfs/dbraw/zinc/79/32/15/1018793215.db2.gz APIBAPAPFRNTGG-NQIIRXRSSA-N 1 0 346.478 3.797 50 0 EHAARO CC1(C)C[N@H+](Cc2c[nH]nc2-c2cccnc2)Cc2ccccc2O1 ZINC000290185637 1020920327 /nfs/dbraw/zinc/92/03/27/1020920327.db2.gz ODWSCXVNTMOFOI-UHFFFAOYSA-N 1 0 334.423 3.645 50 0 EHAARO CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](C)c1cccnc1 ZINC000176030894 1021843261 /nfs/dbraw/zinc/84/32/61/1021843261.db2.gz SHKQBFKTIHECAQ-MRXNPFEDSA-N 1 0 344.503 3.581 50 0 EHAARO Cc1csc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000340538541 1024041540 /nfs/dbraw/zinc/04/15/40/1024041540.db2.gz UYZJDFGYAFSNCN-HNNXBMFYSA-N 1 0 343.496 3.928 50 0 EHAARO O=C(C[NH+]1CCCCCC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007339680 1025552199 /nfs/dbraw/zinc/55/21/99/1025552199.db2.gz VEGOFPXCSKKOGC-LJQANCHMSA-N 1 0 328.481 3.830 50 0 EHAARO O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@H]1CCC[NH2+]C1 ZINC000159521979 1030247074 /nfs/dbraw/zinc/24/70/74/1030247074.db2.gz IOHCVBXRMKVLRG-ZDUSSCGKSA-N 1 0 339.370 3.572 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1 ZINC000174154990 1033785139 /nfs/dbraw/zinc/78/51/39/1033785139.db2.gz HUQVLMSCXGFVPX-INIZCTEOSA-N 1 0 343.496 3.675 50 0 EHAARO COc1ccc2nc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)sc2c1 ZINC000187067056 1037193576 /nfs/dbraw/zinc/19/35/76/1037193576.db2.gz RXDREEDNWRFCDM-OAHLLOKOSA-N 1 0 345.512 3.755 50 0 EHAARO CN1CCCCc2cc(C(=O)NCC[N@H+](C)C3CCCCC3)sc21 ZINC000257179907 1038403626 /nfs/dbraw/zinc/40/36/26/1038403626.db2.gz DAVNQENZJJGKHC-UHFFFAOYSA-N 1 0 349.544 3.515 50 0 EHAARO C[NH+](C)CCN(C(=O)c1cc2c(ccc(Cl)c2Cl)[nH]1)C1CC1 ZINC000356285824 1128426194 /nfs/dbraw/zinc/42/61/94/1128426194.db2.gz WCHFDEPQIVTXFA-UHFFFAOYSA-N 1 0 340.254 3.641 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000575550232 1131572167 /nfs/dbraw/zinc/57/21/67/1131572167.db2.gz QPRNFIHPYUWVJF-UHFFFAOYSA-N 1 0 349.478 3.964 50 0 EHAARO Cc1cnc(-c2ccncc2)n1C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000575547472 1131572684 /nfs/dbraw/zinc/57/26/84/1131572684.db2.gz DTCNKPQDMZXKBD-IBGZPJMESA-N 1 0 347.466 3.561 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000575550596 1131572957 /nfs/dbraw/zinc/57/29/57/1131572957.db2.gz RUEPBJVPIUYTRF-UHFFFAOYSA-N 1 0 338.455 3.616 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000575550328 1131573128 /nfs/dbraw/zinc/57/31/28/1131573128.db2.gz VJLDUTWAVWTLEQ-GOSISDBHSA-N 1 0 346.434 3.704 50 0 EHAARO CC(C)[N@@H+]1CC2(CCN(C(=O)c3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000581802764 1132363083 /nfs/dbraw/zinc/36/30/83/1132363083.db2.gz PFYSOCGRQAQPSX-HXUWFJFHSA-N 1 0 349.478 3.769 50 0 EHAARO CCC(=O)N1CCC(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000581810521 1132371124 /nfs/dbraw/zinc/37/11/24/1132371124.db2.gz XWPJFUXHSGKQSE-UHFFFAOYSA-N 1 0 328.500 3.864 50 0 EHAARO COc1ccccc1N1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000192785074 1137456617 /nfs/dbraw/zinc/45/66/17/1137456617.db2.gz BXDXKOCBPQHJCE-KRWDZBQOSA-N 1 0 326.440 3.924 50 0 EHAARO Oc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cccc3nonc32)c1 ZINC000952978159 1137484755 /nfs/dbraw/zinc/48/47/55/1137484755.db2.gz PRPFGTLRWTVYAO-QGZVFWFLSA-N 1 0 337.423 3.916 50 0 EHAARO C[N@H+](Cc1ccc2ncccc2c1)C1CCN(Cc2ccco2)CC1 ZINC000952985637 1137485611 /nfs/dbraw/zinc/48/56/11/1137485611.db2.gz CYCIJVQDYYIZQD-UHFFFAOYSA-N 1 0 335.451 3.924 50 0 EHAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1cnn(-c3ccccc3Cl)c1)CC2 ZINC000097675385 219046746 /nfs/dbraw/zinc/04/67/46/219046746.db2.gz IOCMLNOJOGIUEW-LPHOPBHVSA-N 1 0 345.874 3.653 50 0 EHAARO C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)c1ccccc1 ZINC000053399873 214180850 /nfs/dbraw/zinc/18/08/50/214180850.db2.gz PTNXPUSKKYRKLO-ZDUSSCGKSA-N 1 0 326.259 3.676 50 0 EHAARO Cc1noc([C@H]2CCC[N@H+](CCCOc3ccc(C)c(C)c3)C2)n1 ZINC000054676349 214249985 /nfs/dbraw/zinc/24/99/85/214249985.db2.gz SHARRQOHFBGNAW-KRWDZBQOSA-N 1 0 329.444 3.643 50 0 EHAARO COCC[N@H+](Cc1cccs1)Cc1ccc2c(c1)OCCCO2 ZINC000055036372 214265859 /nfs/dbraw/zinc/26/58/59/214265859.db2.gz GTNVLKPICSYUPG-UHFFFAOYSA-N 1 0 333.453 3.558 50 0 EHAARO CCN(CC[NH+]1CCCC1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055226856 214292520 /nfs/dbraw/zinc/29/25/20/214292520.db2.gz PLNNLLHJVOERCJ-UHFFFAOYSA-N 1 0 338.451 3.617 50 0 EHAARO Cc1nc2ccc(Cl)cn2c1C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000055308748 214305222 /nfs/dbraw/zinc/30/52/22/214305222.db2.gz FNKOXXJZQHOIHJ-UHFFFAOYSA-N 1 0 345.878 3.688 50 0 EHAARO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2[nH]1 ZINC000055368699 214313016 /nfs/dbraw/zinc/31/30/16/214313016.db2.gz OPFBICIWFVVSLB-UHFFFAOYSA-N 1 0 341.480 3.742 50 0 EHAARO COc1cccc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)c1 ZINC000055368776 214313326 /nfs/dbraw/zinc/31/33/26/214313326.db2.gz QSZOVDUVNXNLKE-IBGZPJMESA-N 1 0 346.434 3.714 50 0 EHAARO COc1ccc(/C=C/C[NH+]2CCC([C@H](O)c3ccccn3)CC2)cc1 ZINC000097759358 219056020 /nfs/dbraw/zinc/05/60/20/219056020.db2.gz FFQWKUYVFMTLCF-FNEOHHHZSA-N 1 0 338.451 3.549 50 0 EHAARO CCc1ccccc1OCC[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000055402774 214320305 /nfs/dbraw/zinc/32/03/05/214320305.db2.gz WYESEKMWIIIVTH-UHFFFAOYSA-N 1 0 326.440 3.718 50 0 EHAARO C[NH+](C)C1(CNC(=O)c2nccc3ccccc32)CCCCCC1 ZINC000058414771 214578222 /nfs/dbraw/zinc/57/82/22/214578222.db2.gz VWZHHWVIWXNIGW-UHFFFAOYSA-N 1 0 325.456 3.619 50 0 EHAARO COc1cccc(-c2nc3ccccc3n2C)c1OCCC[NH+](C)C ZINC000063848179 214771726 /nfs/dbraw/zinc/77/17/26/214771726.db2.gz AXJDVYJFKYJMNX-UHFFFAOYSA-N 1 0 339.439 3.579 50 0 EHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(O)c2)N3)C1 ZINC000004554101 210220491 /nfs/dbraw/zinc/22/04/91/210220491.db2.gz GXIXPEXRYPYOFK-MRXNPFEDSA-N 1 0 343.452 3.649 50 0 EHAARO Cc1cc2cc(C[NH2+]CC(=O)Nc3cc(C)ccc3F)ccc2[nH]1 ZINC000065369924 214875583 /nfs/dbraw/zinc/87/55/83/214875583.db2.gz KBZJZZJSPFGGQV-UHFFFAOYSA-N 1 0 325.387 3.652 50 0 EHAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3ccc(Cl)nc3)C2)c1 ZINC000067541464 215160070 /nfs/dbraw/zinc/16/00/70/215160070.db2.gz CKBODNPDQSLNPE-CQSZACIVSA-N 1 0 332.831 3.742 50 0 EHAARO OCCC[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067772921 215208732 /nfs/dbraw/zinc/20/87/32/215208732.db2.gz UEZWLKBYZLYUKH-UHFFFAOYSA-N 1 0 334.419 3.749 50 0 EHAARO CC(C)=CC(=O)NC[C@@H]1CC[N@H+](Cc2oc3ccccc3c2C)C1 ZINC000067790695 215213158 /nfs/dbraw/zinc/21/31/58/215213158.db2.gz OPJXEEZFQKCEQM-INIZCTEOSA-N 1 0 326.440 3.646 50 0 EHAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067909145 215248175 /nfs/dbraw/zinc/24/81/75/215248175.db2.gz KBAKLLBSCIYWGP-INIZCTEOSA-N 1 0 334.847 3.573 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000067982612 215266211 /nfs/dbraw/zinc/26/62/11/215266211.db2.gz VQTVFKMXPJMPFI-KRWDZBQOSA-N 1 0 349.478 3.911 50 0 EHAARO CCCCOc1cc(C(=O)OCC[NH+](CC)CC)c2ccccc2n1 ZINC000040545267 213345700 /nfs/dbraw/zinc/34/57/00/213345700.db2.gz LEHKDIADQAJSQP-UHFFFAOYSA-N 1 0 344.455 3.912 50 0 EHAARO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000040154219 213274966 /nfs/dbraw/zinc/27/49/66/213274966.db2.gz JGCWLSWSWIYKPC-KBXCAEBGSA-N 1 0 326.465 3.863 50 0 EHAARO COc1cc(C[NH2+]Cc2ccoc2)ccc1OCc1c(C)noc1C ZINC000040153299 213273989 /nfs/dbraw/zinc/27/39/89/213273989.db2.gz BTZZYLIRMORRDA-UHFFFAOYSA-N 1 0 342.395 3.762 50 0 EHAARO Cc1cc2ncn(CC3CC[NH+](Cc4ccccn4)CC3)c2cc1C ZINC000038488548 213210229 /nfs/dbraw/zinc/21/02/29/213210229.db2.gz LGUVIODFBLYELM-UHFFFAOYSA-N 1 0 334.467 3.960 50 0 EHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C)c1 ZINC000036100344 213067905 /nfs/dbraw/zinc/06/79/05/213067905.db2.gz ALIWATMIYIEILJ-IBGZPJMESA-N 1 0 337.504 3.577 50 0 EHAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COCC(C)C)c1 ZINC000036098658 213065669 /nfs/dbraw/zinc/06/56/69/213065669.db2.gz JNMBAOPCBXWGAP-IBGZPJMESA-N 1 0 331.456 3.624 50 0 EHAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)Cc1ccccc1 ZINC000036095961 213063352 /nfs/dbraw/zinc/06/33/52/213063352.db2.gz POHFEOGFYTZEJA-IBGZPJMESA-N 1 0 343.467 3.519 50 0 EHAARO Cn1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c(-c2cccs2)n1 ZINC000189583924 237045531 /nfs/dbraw/zinc/04/55/31/237045531.db2.gz PJHAPCGNDKAGJB-HNNXBMFYSA-N 1 0 343.427 3.901 50 0 EHAARO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2[nH]cc(C)c(=O)c2C)c1 ZINC000072130843 216020445 /nfs/dbraw/zinc/02/04/45/216020445.db2.gz JKBRPPBKQWYFSL-IBGZPJMESA-N 1 0 326.440 3.728 50 0 EHAARO Cc1ncsc1C[N@@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072144949 216030219 /nfs/dbraw/zinc/03/02/19/216030219.db2.gz BTRGNJVONJAKJI-KRWDZBQOSA-N 1 0 328.481 3.865 50 0 EHAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccco2)CC1 ZINC000072145025 216030256 /nfs/dbraw/zinc/03/02/56/216030256.db2.gz NNEWYWWKFWNWRP-UHFFFAOYSA-N 1 0 325.330 3.782 50 0 EHAARO Fc1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000072152851 216040275 /nfs/dbraw/zinc/04/02/75/216040275.db2.gz CRWXRLQFWOOCAZ-MRXNPFEDSA-N 1 0 340.870 3.556 50 0 EHAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2ccc3cccc(F)c3n2)C1 ZINC000072164604 216052703 /nfs/dbraw/zinc/05/27/03/216052703.db2.gz QWSVNNCSONHLOM-MRXNPFEDSA-N 1 0 338.430 3.791 50 0 EHAARO Fc1ccccc1C[N@@H+]1CCC[C@]2(CCN(c3nccs3)C2)C1 ZINC000072168330 216059272 /nfs/dbraw/zinc/05/92/72/216059272.db2.gz OTRAJUGJBODBSQ-SFHVURJKSA-N 1 0 331.460 3.775 50 0 EHAARO COc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000353226 209547493 /nfs/dbraw/zinc/54/74/93/209547493.db2.gz GSANOENIEMRXNW-LEWJYISDSA-N 1 0 325.452 3.998 50 0 EHAARO CC(C)(O)CCc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000072424396 216215101 /nfs/dbraw/zinc/21/51/01/216215101.db2.gz ZFWAZJJSDUNIRY-UHFFFAOYSA-N 1 0 331.500 3.783 50 0 EHAARO Cc1nc([C@@H]2CCC[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)no1 ZINC000215152196 241108484 /nfs/dbraw/zinc/10/84/84/241108484.db2.gz RNIHQYALMDMFNM-CYBMUJFWSA-N 1 0 328.391 3.686 50 0 EHAARO COc1cccc([C@H]2CC[N@H+](Cc3ccncc3Cl)C2)c1OC ZINC000216024126 241159063 /nfs/dbraw/zinc/15/90/63/241159063.db2.gz HQFMQHHOFNXAFS-ZDUSSCGKSA-N 1 0 332.831 3.742 50 0 EHAARO OCCOc1ccccc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000215465713 241124561 /nfs/dbraw/zinc/12/45/61/241124561.db2.gz VAWCYMZHCXGBBU-INIZCTEOSA-N 1 0 331.843 3.701 50 0 EHAARO C(=C/c1ccccc1)\CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000022032407 212271998 /nfs/dbraw/zinc/27/19/98/212271998.db2.gz IGNXYLSQDZTEII-RMKNXTFCSA-N 1 0 331.463 3.999 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1 ZINC000021807461 212252948 /nfs/dbraw/zinc/25/29/48/212252948.db2.gz ITXLAIJUOONEEH-LJQANCHMSA-N 1 0 349.434 3.683 50 0 EHAARO OCC[C@H]1CN(Cc2cccc3ccccc32)CC[N@@H+]1C1CCCC1 ZINC000020913180 212185979 /nfs/dbraw/zinc/18/59/79/212185979.db2.gz BQSBDVCJPUOWTR-NRFANRHFSA-N 1 0 338.495 3.651 50 0 EHAARO CSc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000241776858 243000887 /nfs/dbraw/zinc/00/08/87/243000887.db2.gz RTEFOPISLSIBHI-GDBMZVCRSA-N 1 0 333.501 3.665 50 0 EHAARO CC(C)(C)c1cnc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)s1 ZINC000241926416 243005888 /nfs/dbraw/zinc/00/58/88/243005888.db2.gz UGBIDPLORCJWLY-UHFFFAOYSA-N 1 0 345.512 3.756 50 0 EHAARO Cc1cc(C)c(NC(=O)CC[N@H+](C)CCCn2cccn2)c(Cl)c1 ZINC000244764156 243075771 /nfs/dbraw/zinc/07/57/71/243075771.db2.gz PCGZVHMPYQDCKT-UHFFFAOYSA-N 1 0 348.878 3.504 50 0 EHAARO Cc1ccc(NC(=O)CCN2CC([N@H+]3CCCC[C@H]3C)C2)cc1Cl ZINC000244773819 243078999 /nfs/dbraw/zinc/07/89/99/243078999.db2.gz PHDUPOSYXJKHQV-OAHLLOKOSA-N 1 0 349.906 3.536 50 0 EHAARO Cc1ccc(SCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020500150 212140790 /nfs/dbraw/zinc/14/07/90/212140790.db2.gz AICDQXIWWSLIDU-UHFFFAOYSA-N 1 0 326.509 3.905 50 0 EHAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020100529 212100106 /nfs/dbraw/zinc/10/01/06/212100106.db2.gz DDKJOIKMKSSKKH-UHFFFAOYSA-N 1 0 326.484 3.905 50 0 EHAARO Cc1nc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2s1 ZINC000079191797 217200975 /nfs/dbraw/zinc/20/09/75/217200975.db2.gz HFCONKRIHKRQBF-DOTOQJQBSA-N 1 0 343.496 3.599 50 0 biogenic EHAARO Cc1ccc(NC(=O)CCOc2ccccc2F)c(C[NH+](C)C)c1 ZINC000079305608 217206090 /nfs/dbraw/zinc/20/60/90/217206090.db2.gz MWZIHPMRPFTDLL-UHFFFAOYSA-N 1 0 330.403 3.603 50 0 EHAARO CCc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(OC)c3)C2)o1 ZINC000012440487 211383223 /nfs/dbraw/zinc/38/32/23/211383223.db2.gz DLDVWXNHJYCVIT-NRFANRHFSA-N 1 0 343.467 3.668 50 0 EHAARO O[C@H](COc1ccccc1-c1ccccc1)C[NH+]1CCCCCC1 ZINC000012420090 211375262 /nfs/dbraw/zinc/37/52/62/211375262.db2.gz XUYIFIILHXKFPN-IBGZPJMESA-N 1 0 325.452 3.969 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012373461 211358930 /nfs/dbraw/zinc/35/89/30/211358930.db2.gz WNIGYJOTATUTJH-OAQYLSRUSA-N 1 0 343.442 3.652 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012298419 211337863 /nfs/dbraw/zinc/33/78/63/211337863.db2.gz XQTYSIPQLKEUKK-NRFANRHFSA-N 1 0 327.443 3.951 50 0 EHAARO CCCC[NH2+][C@H]1CCCN(c2nc(C)c3cc(F)ccc3n2)CC1 ZINC000012203659 211320224 /nfs/dbraw/zinc/32/02/24/211320224.db2.gz VNBBTINCDACJLB-INIZCTEOSA-N 1 0 330.451 3.826 50 0 EHAARO O=C1CCC2(CC[NH+](CC3CCC3)CC2)CN1Cc1ccccc1 ZINC000091474633 218011752 /nfs/dbraw/zinc/01/17/52/218011752.db2.gz RSSKDHMXVPGVKG-UHFFFAOYSA-N 1 0 326.484 3.691 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](CCc3ccc(OC)cc3)C2)cn1 ZINC000011840467 211254500 /nfs/dbraw/zinc/25/45/00/211254500.db2.gz CCRUTBGJVLNWPA-SFHVURJKSA-N 1 0 327.472 3.756 50 0 EHAARO CN(C(=O)c1ccsc1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011838310 211253941 /nfs/dbraw/zinc/25/39/41/211253941.db2.gz AKSOMMXJJMZYOK-GOSISDBHSA-N 1 0 328.481 3.527 50 0 EHAARO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+]1CC1CC1 ZINC000011820594 211252719 /nfs/dbraw/zinc/25/27/19/211252719.db2.gz CESJQVQRNHMGJT-GOSISDBHSA-N 1 0 337.423 3.687 50 0 EHAARO CSc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)cc1 ZINC000092045581 218109464 /nfs/dbraw/zinc/10/94/64/218109464.db2.gz BZNLUVKRRQWYCU-SJLPKXTDSA-N 1 0 344.524 3.631 50 0 EHAARO O=C1N(C2CCCCC2)CCC[C@@]12CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000092078071 218115966 /nfs/dbraw/zinc/11/59/66/218115966.db2.gz IIPRHJNFNRYKQV-NRFANRHFSA-N 1 0 344.474 3.973 50 0 EHAARO Cc1cc[n+](C[C@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1 ZINC000009722421 211119668 /nfs/dbraw/zinc/11/96/68/211119668.db2.gz RGKBIDHJXGFYKQ-SFHVURJKSA-N 1 0 331.439 3.760 50 0 EHAARO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccccc3F)CC2)cc1 ZINC000093607913 218234624 /nfs/dbraw/zinc/23/46/24/218234624.db2.gz ZYTCGXVEHNRSCO-UHFFFAOYSA-N 1 0 341.430 3.861 50 0 EHAARO COc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc2c1OCCO2 ZINC000009544820 211099821 /nfs/dbraw/zinc/09/98/21/211099821.db2.gz ISRAXUASEPJOSN-NSHDSACASA-N 1 0 335.350 3.595 50 0 EHAARO O=C(c1ccccc1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095372165 218305674 /nfs/dbraw/zinc/30/56/74/218305674.db2.gz TTWCVXSYXOKWQJ-ZWKOTPCHSA-N 1 0 338.426 3.562 50 0 EHAARO CCC(=O)N1CCC([NH2+]C[C@H](SC)c2cccc(Cl)c2)CC1 ZINC000095410514 218347638 /nfs/dbraw/zinc/34/76/38/218347638.db2.gz YTYHNSOFIIBVPZ-INIZCTEOSA-N 1 0 340.920 3.735 50 0 EHAARO CCc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)o1 ZINC000095420279 218360535 /nfs/dbraw/zinc/36/05/35/218360535.db2.gz FLWCSCDWOAQEDK-AWEZNQCLSA-N 1 0 344.430 3.937 50 0 EHAARO CC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(OC)c1 ZINC000095420307 218361072 /nfs/dbraw/zinc/36/10/72/218361072.db2.gz WKPIWPQPUHEWHV-LJQANCHMSA-N 1 0 325.456 3.800 50 0 EHAARO C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)c2ccsc2S1 ZINC000095421336 218363351 /nfs/dbraw/zinc/36/33/51/218363351.db2.gz ZMIKTOOZNXCLAJ-GXFFZTMASA-N 1 0 332.485 3.993 50 0 EHAARO Fc1ccc([C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C2CC2)cc1 ZINC000095422190 218364301 /nfs/dbraw/zinc/36/43/01/218364301.db2.gz UNCNGUSVVOBZHH-NRFANRHFSA-N 1 0 339.458 3.926 50 0 EHAARO Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(C)(C)C)cc1S(N)(=O)=O ZINC000095462756 218402622 /nfs/dbraw/zinc/40/26/22/218402622.db2.gz CDFDYKQYIUHOBA-YOEHRIQHSA-N 1 0 340.533 3.754 50 0 EHAARO Cc1ccccc1C[C@H](C)[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000095967587 218472266 /nfs/dbraw/zinc/47/22/66/218472266.db2.gz YPFMKPZDENFZSL-IBGZPJMESA-N 1 0 337.511 3.618 50 0 EHAARO CC[NH+](CC)CCC[C@H](C)NC(=S)Nc1ccc(C(C)=O)cc1 ZINC000006318292 210618077 /nfs/dbraw/zinc/61/80/77/210618077.db2.gz FEFORINXZXFZFQ-AWEZNQCLSA-N 1 0 335.517 3.686 50 0 EHAARO COc1cc(OC)c(OC)cc1/C=C\c1ccc2ccccc2[n+]1C ZINC000005045769 210373539 /nfs/dbraw/zinc/37/35/39/210373539.db2.gz ITLSZQMBLVDAHL-BENRWUELSA-N 1 0 336.411 3.861 50 0 EHAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccc(F)cc1 ZINC000005019155 210364166 /nfs/dbraw/zinc/36/41/66/210364166.db2.gz PXDAJQVGPZMSMR-SFHVURJKSA-N 1 0 345.414 3.682 50 0 EHAARO Cc1cc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc[nH+]1 ZINC000097162110 218978364 /nfs/dbraw/zinc/97/83/64/218978364.db2.gz PLUDEKNWNYIAOF-INIZCTEOSA-N 1 0 347.365 3.599 50 0 EHAARO O=C(/C=C\c1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000097521147 219032052 /nfs/dbraw/zinc/03/20/52/219032052.db2.gz UTZMDAZJBPXCAT-JEZWAEDTSA-N 1 0 344.842 3.900 50 0 EHAARO COc1ccc(C[NH2+]Cc2cc(Br)ccc2OC)cc1 ZINC000000172209 258047807 /nfs/dbraw/zinc/04/78/07/258047807.db2.gz DSXHTINNJDZLIB-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO c1cnc(N2CCCCC2)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000241774203 258000809 /nfs/dbraw/zinc/00/08/09/258000809.db2.gz RNWPMAGRAFYJCX-IPMKNSEASA-N 1 0 341.499 3.509 50 0 EHAARO [NH3+][C@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000299777514 258087566 /nfs/dbraw/zinc/08/75/66/258087566.db2.gz ORYQSNXWDAMSAN-HNNXBMFYSA-N 1 0 325.412 3.824 50 0 EHAARO COc1cc(NC2CC[NH+](C3CCCCC3)CC2)ccc1NC(C)=O ZINC000097045627 258068203 /nfs/dbraw/zinc/06/82/03/258068203.db2.gz BXODTDMTKZPUQD-UHFFFAOYSA-N 1 0 345.487 3.863 50 0 EHAARO C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1cc(F)ccc1OCCC[NH3+])C2 ZINC000299755734 258074210 /nfs/dbraw/zinc/07/42/10/258074210.db2.gz CNMQNJKCZNUAOK-FOIQADDNSA-N 1 0 348.462 3.594 50 0 EHAARO CCCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057555116 132200748 /nfs/dbraw/zinc/20/07/48/132200748.db2.gz ZBNLNVPUXXPKEO-UHFFFAOYSA-N 1 0 337.467 3.747 50 0 EHAARO CC1CC[NH+](CCOCCOc2cccc(Br)c2)CC1 ZINC000003000913 521017302 /nfs/dbraw/zinc/01/73/02/521017302.db2.gz BMFIXXUAPANNDZ-UHFFFAOYSA-N 1 0 342.277 3.576 50 0 EHAARO COc1ccc(SC[C@@H](O)C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000000108747 563229084 /nfs/dbraw/zinc/22/90/84/563229084.db2.gz VADJDVLFKQUAKK-HNNXBMFYSA-N 1 0 337.872 3.591 50 0 EHAARO Cc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000001233938 563380579 /nfs/dbraw/zinc/38/05/79/563380579.db2.gz NWAPEPJZJARYHX-WRWLIDTKSA-N 1 0 343.491 3.778 50 0 EHAARO CC[NH+](CC)CCCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000001834230 563413806 /nfs/dbraw/zinc/41/38/06/563413806.db2.gz YOGRCFGKZFSFHV-NRFANRHFSA-N 1 0 347.499 3.730 50 0 EHAARO CC[C@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C[C@@H]1CC(C)C ZINC000002040859 563418999 /nfs/dbraw/zinc/41/89/99/563418999.db2.gz TUNMGCULOKMBNJ-CDXJDZJCSA-N 1 0 347.499 3.810 50 0 EHAARO Cc1nn2c(nc3c(c2NCC[NH+](C)C)CCCC3)c1-c1ccccc1 ZINC000002357994 563564130 /nfs/dbraw/zinc/56/41/30/563564130.db2.gz HARBGVJRGOLCBC-UHFFFAOYSA-N 1 0 349.482 3.557 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000008514482 563631583 /nfs/dbraw/zinc/63/15/83/563631583.db2.gz JOWULBJTBYIARV-QQABJKMWSA-N 1 0 342.483 3.749 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(C)n1 ZINC000012759329 563670100 /nfs/dbraw/zinc/67/01/00/563670100.db2.gz CAGJMSPGJVCJNG-MRXNPFEDSA-N 1 0 345.874 3.960 50 0 EHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(C)o3)C2)cc1OC ZINC000012835418 563675625 /nfs/dbraw/zinc/67/56/25/563675625.db2.gz ZFLAMQGPICWGPP-INIZCTEOSA-N 1 0 343.423 3.700 50 0 EHAARO Cc1c2ccccc2oc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000013745501 563720265 /nfs/dbraw/zinc/72/02/65/563720265.db2.gz DHLOGHOJIOGBTG-UHFFFAOYSA-N 1 0 326.440 3.832 50 0 EHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000015079210 563776881 /nfs/dbraw/zinc/77/68/81/563776881.db2.gz NVSQWJKQBCSVJD-OAHLLOKOSA-N 1 0 345.874 3.785 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCC(C)CC2)o1 ZINC000015860267 563797054 /nfs/dbraw/zinc/79/70/54/563797054.db2.gz KAAUZUAMRWJEBV-SFHVURJKSA-N 1 0 326.440 3.791 50 0 EHAARO CCCOc1ccccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000043452352 563872901 /nfs/dbraw/zinc/87/29/01/563872901.db2.gz YZYWPDDQEWJTML-INIZCTEOSA-N 1 0 347.484 3.961 50 0 EHAARO CC(C)c1ccc(O[C@H](C)C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000027583797 563897392 /nfs/dbraw/zinc/89/73/92/563897392.db2.gz RRSMTTDBLRUEDT-QGZVFWFLSA-N 1 0 346.515 3.958 50 0 EHAARO CN(CCOc1ccccc1)C(=O)c1cccc(Nc2cc[nH+]cc2)c1 ZINC000072284196 563906232 /nfs/dbraw/zinc/90/62/32/563906232.db2.gz SEXKGDBXEBQCGW-UHFFFAOYSA-N 1 0 347.418 3.976 50 0 EHAARO CSc1ccc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000029489191 563906720 /nfs/dbraw/zinc/90/67/20/563906720.db2.gz RJMSCKGHVHQFLX-SFHVURJKSA-N 1 0 326.465 3.966 50 0 EHAARO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000030003427 563909208 /nfs/dbraw/zinc/90/92/08/563909208.db2.gz OBKJSSJDNVHEMW-NRFANRHFSA-N 1 0 347.462 3.769 50 0 EHAARO Cc1cccc(NC2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)c1 ZINC000072294881 563911609 /nfs/dbraw/zinc/91/16/09/563911609.db2.gz FJLHCOGADSILLX-UHFFFAOYSA-N 1 0 347.462 3.913 50 0 EHAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCC(F)CC3)cc2)n1 ZINC000048175481 563930145 /nfs/dbraw/zinc/93/01/45/563930145.db2.gz ZATDSJGIFXHQIA-UHFFFAOYSA-N 1 0 343.446 3.713 50 0 EHAARO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C(N)=O)cc1 ZINC000058331203 563942772 /nfs/dbraw/zinc/94/27/72/563942772.db2.gz FPPZMNIZGWTERP-UHFFFAOYSA-N 1 0 349.434 3.505 50 0 EHAARO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000058370743 563944082 /nfs/dbraw/zinc/94/40/82/563944082.db2.gz WHMYPPHHQCUUCL-JKSUJKDBSA-N 1 0 334.504 3.598 50 0 EHAARO CC(C)C[C@@H](C)[NH2+]C1CCN(c2cccc(N3CCCC3=O)c2)CC1 ZINC000063884279 563956505 /nfs/dbraw/zinc/95/65/05/563956505.db2.gz SPJGXMIFNSZRLG-QGZVFWFLSA-N 1 0 343.515 3.806 50 0 EHAARO CC(C)c1nccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCC[NH2+]2)n1 ZINC000065375704 563958920 /nfs/dbraw/zinc/95/89/20/563958920.db2.gz BLPVBVORMYVGTB-QGZVFWFLSA-N 1 0 347.466 3.883 50 0 EHAARO CCc1noc([C@@H](C)[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000065430532 563960859 /nfs/dbraw/zinc/96/08/59/563960859.db2.gz VRDNJKFUJRCKEC-WDEREUQCSA-N 1 0 327.350 3.933 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043722709 563963613 /nfs/dbraw/zinc/96/36/13/563963613.db2.gz DIIQIOUPVIEQBD-UXLLHSPISA-N 1 0 335.492 3.706 50 0 EHAARO CSc1cccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000033128962 563963621 /nfs/dbraw/zinc/96/36/21/563963621.db2.gz WKRBMMUCTIBWJR-UHFFFAOYSA-N 1 0 327.453 3.659 50 0 EHAARO CC(C)=CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)c(F)c2C)C1 ZINC000071315705 563964183 /nfs/dbraw/zinc/96/41/83/563964183.db2.gz LNIFZOVNFQNCNZ-QGZVFWFLSA-N 1 0 332.463 3.737 50 0 EHAARO CC[C@@H]1C[N@H+](CCCC(F)(F)F)CCC(=O)N1Cc1ccccc1 ZINC000071416142 563964356 /nfs/dbraw/zinc/96/43/56/563964356.db2.gz FEPDDOZZSABGNH-MRXNPFEDSA-N 1 0 342.405 3.842 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](Cn2ccnc2-c2ccc(-n3ccnc3)cc2)C1 ZINC000071761542 563965393 /nfs/dbraw/zinc/96/53/93/563965393.db2.gz IWCXJCPERKYZGY-GOSISDBHSA-N 1 0 349.482 3.856 50 0 EHAARO Cc1cccnc1CNc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097082177 563967266 /nfs/dbraw/zinc/96/72/66/563967266.db2.gz LWGDFQVEOJRPOI-IBGZPJMESA-N 1 0 347.466 3.646 50 0 EHAARO CCC(=O)c1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000097103637 563967597 /nfs/dbraw/zinc/96/75/97/563967597.db2.gz XSASNEYKZFVHOD-INIZCTEOSA-N 1 0 343.471 3.619 50 0 EHAARO Cc1nnc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000097103603 563967604 /nfs/dbraw/zinc/96/76/04/563967604.db2.gz HTPRQJIGSKOPII-GXTWGEPZSA-N 1 0 325.334 3.823 50 0 EHAARO COc1ccc(F)c(F)c1CN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000077405982 563969413 /nfs/dbraw/zinc/96/94/13/563969413.db2.gz QJDPDKANTVENGD-OAHLLOKOSA-N 1 0 338.442 3.671 50 0 EHAARO COCCC[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)nc2)C1 ZINC000077455556 563969768 /nfs/dbraw/zinc/96/97/68/563969768.db2.gz CWCOLESCYBDSTD-HNNXBMFYSA-N 1 0 331.485 3.844 50 0 EHAARO O=C1CC[C@]2(CCC[N@H+](CC3CCC3)C2)CN1CCc1ccccc1 ZINC000077505249 563970042 /nfs/dbraw/zinc/97/00/42/563970042.db2.gz CMHZLANBFRUHDX-QFIPXVFZSA-N 1 0 340.511 3.734 50 0 EHAARO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C(C)C)c1cnn(C)c1 ZINC000097228499 563970630 /nfs/dbraw/zinc/97/06/30/563970630.db2.gz VFOHSGJLZXQRRR-LJQANCHMSA-N 1 0 337.471 3.970 50 0 EHAARO C[C@@H](Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000097037804 563971316 /nfs/dbraw/zinc/97/13/16/563971316.db2.gz XHXGGTHTSDNDLN-OAHLLOKOSA-N 1 0 328.431 3.956 50 0 EHAARO Clc1cnccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000081671458 563971836 /nfs/dbraw/zinc/97/18/36/563971836.db2.gz STYIZHFCCHHDOV-UHFFFAOYSA-N 1 0 326.831 3.991 50 0 EHAARO c1ccc2sc(CCC[NH2+][C@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000082087413 563972063 /nfs/dbraw/zinc/97/20/63/563972063.db2.gz DXYDWDUXJDZIAT-HNNXBMFYSA-N 1 0 346.496 3.547 50 0 EHAARO Cc1cc(N2CCCN(C(=O)c3cc(Cl)ccc3F)CC2)cc[nH+]1 ZINC000082134995 563972616 /nfs/dbraw/zinc/97/26/16/563972616.db2.gz BQWZHFSXMCXJGC-UHFFFAOYSA-N 1 0 347.821 3.535 50 0 EHAARO CC(C)c1cc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)on1 ZINC000097084537 563973163 /nfs/dbraw/zinc/97/31/63/563973163.db2.gz OIUWGWGZSCGZQR-CQSZACIVSA-N 1 0 337.464 3.677 50 0 EHAARO Cc1cccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)c1C ZINC000043765129 563973209 /nfs/dbraw/zinc/97/32/09/563973209.db2.gz QMOXPNPREDYGNM-UHFFFAOYSA-N 1 0 346.478 3.811 50 0 EHAARO COc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1OC ZINC000060818748 563974916 /nfs/dbraw/zinc/97/49/16/563974916.db2.gz FOCKSCDVLYKDOL-KRWDZBQOSA-N 1 0 344.455 3.614 50 0 EHAARO Cc1ccc(CC[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)s1 ZINC000091320518 563975260 /nfs/dbraw/zinc/97/52/60/563975260.db2.gz HHGXGLDPMITHOQ-UHFFFAOYSA-N 1 0 332.856 3.884 50 0 EHAARO Cc1cc(C)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000176275254 563981566 /nfs/dbraw/zinc/98/15/66/563981566.db2.gz GWTPHFRRZKTWFK-UHFFFAOYSA-N 1 0 332.469 3.600 50 0 EHAARO C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000071862825 563983316 /nfs/dbraw/zinc/98/33/16/563983316.db2.gz BXAPMMBLTSEBIK-NSHDSACASA-N 1 0 336.233 3.874 50 0 EHAARO c1cc2c(c(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)c1)OCO2 ZINC000060961568 563992167 /nfs/dbraw/zinc/99/21/67/563992167.db2.gz RQLCCRCHRIVNQK-UHFFFAOYSA-N 1 0 338.451 3.691 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000257365549 563993332 /nfs/dbraw/zinc/99/33/32/563993332.db2.gz NKMNLDTUSDDCFU-CILWKZBWSA-N 1 0 349.425 3.744 50 0 EHAARO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000252484701 563997744 /nfs/dbraw/zinc/99/77/44/563997744.db2.gz GFBFBJFEKGPAHL-HNNXBMFYSA-N 1 0 337.529 3.634 50 0 EHAARO CSc1cccc(N(C(=O)CC(F)(F)F)C2CC[NH+](C)CC2)c1 ZINC000171999556 564002089 /nfs/dbraw/zinc/00/20/89/564002089.db2.gz AHFMNRQHXVMDBD-UHFFFAOYSA-N 1 0 346.418 3.788 50 0 EHAARO Clc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc2c1OCCCO2 ZINC000017309792 564011605 /nfs/dbraw/zinc/01/16/05/564011605.db2.gz CYVCLTCWCWCCFG-UHFFFAOYSA-N 1 0 347.798 3.520 50 0 EHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000000506292 564019532 /nfs/dbraw/zinc/01/95/32/564019532.db2.gz SJVSUESXYZNAFJ-IBGZPJMESA-N 1 0 333.435 3.652 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000047039082 564025665 /nfs/dbraw/zinc/02/56/65/564025665.db2.gz UXIZEVMCCHNFHN-ZIAGYGMSSA-N 1 0 340.870 3.967 50 0 EHAARO Cc1ccc([C@@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C(C)(C)C)o1 ZINC000110616179 564025783 /nfs/dbraw/zinc/02/57/83/564025783.db2.gz INNKCJLSWHAPDG-DOTOQJQBSA-N 1 0 333.476 3.555 50 0 EHAARO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C3CCCC3)[C@@H](C)C2)s1 ZINC000108096224 564027732 /nfs/dbraw/zinc/02/77/32/564027732.db2.gz MRTTXROIICQFIL-DEYYWGMASA-N 1 0 349.544 3.604 50 0 EHAARO Clc1cccc(-c2cnc(C[N@H+](C[C@@H]3CCOC3)C3CC3)o2)c1 ZINC000044938028 564027802 /nfs/dbraw/zinc/02/78/02/564027802.db2.gz JXKRCEVSJMOYJW-ZDUSSCGKSA-N 1 0 332.831 3.996 50 0 EHAARO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000044954592 564027907 /nfs/dbraw/zinc/02/79/07/564027907.db2.gz MOQFIKUSQNEYLB-LPHOPBHVSA-N 1 0 344.499 3.670 50 0 EHAARO Cc1cccc(C[NH+]2CCC(NC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000045743402 564028636 /nfs/dbraw/zinc/02/86/36/564028636.db2.gz RKHYHCSAKZAGGN-HDICACEKSA-N 1 0 343.515 3.647 50 0 EHAARO COc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1 ZINC000047725578 564029685 /nfs/dbraw/zinc/02/96/85/564029685.db2.gz XONXWZJMWOKWCM-CQSZACIVSA-N 1 0 339.439 3.830 50 0 EHAARO COc1cc(C)c([C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)cc1OC ZINC000048712947 564032073 /nfs/dbraw/zinc/03/20/73/564032073.db2.gz JSYQVWGJKHUUOS-AWEZNQCLSA-N 1 0 331.460 3.815 50 0 EHAARO c1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)co1 ZINC000048815660 564032245 /nfs/dbraw/zinc/03/22/45/564032245.db2.gz CWFGESDDMVSPRF-UHFFFAOYSA-N 1 0 330.391 3.817 50 0 EHAARO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000081647700 564035974 /nfs/dbraw/zinc/03/59/74/564035974.db2.gz QEKIIIXUSZKACX-SFHVURJKSA-N 1 0 345.393 3.713 50 0 EHAARO Cc1cc(C)c(C(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000220966003 564035988 /nfs/dbraw/zinc/03/59/88/564035988.db2.gz GYZRPVQZAPAQPQ-UHFFFAOYSA-N 1 0 328.500 3.745 50 0 EHAARO CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNNc1ccc(C)cc1 ZINC000095471467 564036027 /nfs/dbraw/zinc/03/60/27/564036027.db2.gz AFPPQXPFPYHXIM-BOPFTXTBSA-N 1 0 340.814 3.872 50 0 EHAARO CC(C)c1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c(O)c1 ZINC000222149517 564036765 /nfs/dbraw/zinc/03/67/65/564036765.db2.gz GQITWLMVAXWLTC-JZXOWHBKSA-N 1 0 344.499 3.993 50 0 EHAARO COc1ccc(C)cc1NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000225389574 564046338 /nfs/dbraw/zinc/04/63/38/564046338.db2.gz PZPWCQDNRRDEFT-HNAYVOBHSA-N 1 0 341.455 3.817 50 0 EHAARO C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000225668314 564049235 /nfs/dbraw/zinc/04/92/35/564049235.db2.gz GVMGBYIZLTYKPN-PXNSSMCTSA-N 1 0 340.467 3.644 50 0 EHAARO O=C1CC[N@@H+](C[C@H]2CC=CCC2)CCN1Cc1ccccc1Cl ZINC000014987153 564050923 /nfs/dbraw/zinc/05/09/23/564050923.db2.gz ZYKWRMYMQNBVKK-INIZCTEOSA-N 1 0 332.875 3.731 50 0 EHAARO CC(=O)c1ccccc1C(=O)NCCC1CC[NH+](C2CCCC2)CC1 ZINC000252493402 564053449 /nfs/dbraw/zinc/05/34/49/564053449.db2.gz NBMNSDXWUFPCKD-UHFFFAOYSA-N 1 0 342.483 3.664 50 0 EHAARO CC[C@@H]([NH2+]C1CCN(c2cccc(OC)c2)CC1)c1cccnc1 ZINC000534590689 564061238 /nfs/dbraw/zinc/06/12/38/564061238.db2.gz LSHFPGUAJXJRHS-HXUWFJFHSA-N 1 0 325.456 3.800 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000084736381 564069929 /nfs/dbraw/zinc/06/99/29/564069929.db2.gz XHOKHGATJYCMHL-LPHOPBHVSA-N 1 0 339.483 3.608 50 0 EHAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2CC ZINC000015669115 564070371 /nfs/dbraw/zinc/07/03/71/564070371.db2.gz LEUOBGAQUWXBPT-UHFFFAOYSA-N 1 0 328.460 3.781 50 0 EHAARO Cc1ccc2c(C[N@H+](C)CCOc3ccc(F)cc3)cc(=O)oc2c1 ZINC000012911494 564077997 /nfs/dbraw/zinc/07/79/97/564077997.db2.gz PWLBBUFKWMXAMX-UHFFFAOYSA-N 1 0 341.382 3.751 50 0 EHAARO Cc1ccoc1C(=O)NC1CC[NH+](CCSc2ccccc2)CC1 ZINC000075140790 564080677 /nfs/dbraw/zinc/08/06/77/564080677.db2.gz DGRJBNFRPBFXBU-UHFFFAOYSA-N 1 0 344.480 3.575 50 0 EHAARO Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)o1 ZINC000006234264 564083135 /nfs/dbraw/zinc/08/31/35/564083135.db2.gz COKZNJWOQRBEME-OAHLLOKOSA-N 1 0 331.441 3.845 50 0 EHAARO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000221818178 564084264 /nfs/dbraw/zinc/08/42/64/564084264.db2.gz SJPPVDJSRIFZNX-LSDHHAIUSA-N 1 0 337.427 3.709 50 0 EHAARO C[N@@H+]1CC[C@@H](CNC(=O)C2=CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123758621 564086844 /nfs/dbraw/zinc/08/68/44/564086844.db2.gz FEUXQEVDVYPQJI-YOEHRIQHSA-N 1 0 336.838 3.698 50 0 EHAARO Cc1cc2n(n1)C[C@@H](C[NH2+]C1(c3ccc(Cl)cc3)CCC1)CN2 ZINC000058299931 564087881 /nfs/dbraw/zinc/08/78/81/564087881.db2.gz KKMVNCSGQSUOLC-CQSZACIVSA-N 1 0 330.863 3.556 50 0 EHAARO CC[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1SC)c1ccccc1 ZINC000241515546 564088376 /nfs/dbraw/zinc/08/83/76/564088376.db2.gz OGFANUUYNQTQGY-KBAYOESNSA-N 1 0 334.529 3.512 50 0 EHAARO CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000089280226 564088745 /nfs/dbraw/zinc/08/87/45/564088745.db2.gz IYSIEEUKKNLITE-XOBRGWDASA-N 1 0 339.439 3.596 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c(C)n1 ZINC000089510115 564091107 /nfs/dbraw/zinc/09/11/07/564091107.db2.gz SPOMWLMZUJIAHQ-NSHDSACASA-N 1 0 347.846 3.759 50 0 EHAARO O=C(NCC[C@H]1CCC[NH2+]1)c1cccc(-c2cc(Cl)ccc2O)c1 ZINC000426358881 564093454 /nfs/dbraw/zinc/09/34/54/564093454.db2.gz DJXMPFBADXGVTH-MRXNPFEDSA-N 1 0 344.842 3.585 50 0 EHAARO [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000426493186 564093866 /nfs/dbraw/zinc/09/38/66/564093866.db2.gz MVDYTBUVEXNIHN-VQTJNVASSA-N 1 0 337.467 3.671 50 0 EHAARO CCCn1ccnc1CNC(=O)c1ccc(-c2ccnc(C)c2)cc1 ZINC000426669190 564094327 /nfs/dbraw/zinc/09/43/27/564094327.db2.gz ZYTRMANEQVQLCI-UHFFFAOYSA-N 1 0 334.423 3.594 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)s1 ZINC000065286797 564104449 /nfs/dbraw/zinc/10/44/49/564104449.db2.gz YSYRXNWLGRERQU-OAHLLOKOSA-N 1 0 339.468 3.616 50 0 EHAARO c1noc(-c2ccccc2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000065288892 564104709 /nfs/dbraw/zinc/10/47/09/564104709.db2.gz UIPQZZOEOTZPTK-UHFFFAOYSA-N 1 0 333.435 3.659 50 0 EHAARO CC(C)(C)n1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 ZINC000065476320 564106306 /nfs/dbraw/zinc/10/63/06/564106306.db2.gz MXZBCYRSKFNNKP-IBGZPJMESA-N 1 0 341.455 3.650 50 0 EHAARO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccccc2COC)c1 ZINC000065497586 564106559 /nfs/dbraw/zinc/10/65/59/564106559.db2.gz PJGVDNRABBCAIW-UHFFFAOYSA-N 1 0 341.455 3.606 50 0 EHAARO O=C1[C@@H]([NH2+]Cc2ccccc2)CCN1c1ccccc1C(F)(F)F ZINC000170597910 564109204 /nfs/dbraw/zinc/10/92/04/564109204.db2.gz UIKJCUVXHFBEQS-HNNXBMFYSA-N 1 0 334.341 3.601 50 0 EHAARO C[C@H]1CCC[C@H](CC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000170608315 564109746 /nfs/dbraw/zinc/10/97/46/564109746.db2.gz RKPTXYMUJQEMHJ-IRXDYDNUSA-N 1 0 338.561 3.681 50 0 EHAARO CNC(=O)CCC[N@H+](C)Cc1c(Cl)cccc1SC(C)C ZINC000170616054 564110080 /nfs/dbraw/zinc/11/00/80/564110080.db2.gz SPPGLXOHKWLVNM-UHFFFAOYSA-N 1 0 328.909 3.799 50 0 EHAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000013320301 564111417 /nfs/dbraw/zinc/11/14/17/564111417.db2.gz KCMCVLQHCFRUFX-UHFFFAOYSA-N 1 0 341.430 3.920 50 0 EHAARO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000089735571 564113474 /nfs/dbraw/zinc/11/34/74/564113474.db2.gz ZFRHDDISEZHUNT-GOSISDBHSA-N 1 0 338.480 3.980 50 0 EHAARO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(Cl)c(N)c(Cl)c1 ZINC000089904542 564114970 /nfs/dbraw/zinc/11/49/70/564114970.db2.gz TUOJEWXSGCOZFE-JTQLQIEISA-N 1 0 327.259 3.593 50 0 EHAARO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000089909469 564115203 /nfs/dbraw/zinc/11/52/03/564115203.db2.gz MEHMHNXEYFRFHE-LJQANCHMSA-N 1 0 332.444 3.646 50 0 EHAARO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000076089858 564115643 /nfs/dbraw/zinc/11/56/43/564115643.db2.gz OPNIRPSCAOHBSL-RTWAWAEBSA-N 1 0 338.451 3.733 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000089949000 564115790 /nfs/dbraw/zinc/11/57/90/564115790.db2.gz FKNVUTIBYRSGPW-LAUBAEHRSA-N 1 0 336.479 3.967 50 0 EHAARO CC[N@H+](CC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000089960953 564115903 /nfs/dbraw/zinc/11/59/03/564115903.db2.gz BUEZTFJCDVISBH-QGZVFWFLSA-N 1 0 336.479 3.808 50 0 EHAARO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000252513854 564120211 /nfs/dbraw/zinc/12/02/11/564120211.db2.gz AIXVKPVRVHMNFH-QRQLOZEOSA-N 1 0 325.456 3.630 50 0 EHAARO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c2cc1C ZINC000252514488 564120261 /nfs/dbraw/zinc/12/02/61/564120261.db2.gz CPQHCQLMUCIOGS-CWFSZBLJSA-N 1 0 341.451 3.655 50 0 EHAARO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)C1 ZINC000195570242 564123929 /nfs/dbraw/zinc/12/39/29/564123929.db2.gz HBITYSSQIWZHBW-CQSZACIVSA-N 1 0 349.450 3.563 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000007849840 564124245 /nfs/dbraw/zinc/12/42/45/564124245.db2.gz UTSWALIMABPFTB-UHFFFAOYSA-N 1 0 326.415 3.742 50 0 EHAARO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cccc(N2CCCC2)c1 ZINC000253369537 564130286 /nfs/dbraw/zinc/13/02/86/564130286.db2.gz DUYUSHANEKUVHP-DUXKGJEZSA-N 1 0 343.515 3.588 50 0 EHAARO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000253404932 564130630 /nfs/dbraw/zinc/13/06/30/564130630.db2.gz GCWDLELVKWRCRG-BBRMVZONSA-N 1 0 336.476 3.743 50 0 EHAARO C[N@H+](CCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499787 564132734 /nfs/dbraw/zinc/13/27/34/564132734.db2.gz NINCEUANGIAEBE-OLJMEDMQSA-N 1 0 349.559 3.683 50 0 biogenic EHAARO CCn1c2ccc(C)cc2c2nnc(SCC[NH+](CC)CC)nc21 ZINC000002447619 564135261 /nfs/dbraw/zinc/13/52/61/564135261.db2.gz VHWWBVATCUFYRN-UHFFFAOYSA-N 1 0 343.500 3.742 50 0 EHAARO CC1=C2C[C@@H]3[C@H](C[NH2+]Cc4cccnc4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012660023 564135470 /nfs/dbraw/zinc/13/54/70/564135470.db2.gz MOUSYVFBLROHHX-SHJAMOMRSA-N 1 0 340.467 3.630 50 0 biogenic EHAARO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000390833272 564138787 /nfs/dbraw/zinc/13/87/87/564138787.db2.gz FLESBVAIQRJOMB-LLVKDONJSA-N 1 0 346.805 3.654 50 0 EHAARO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(Br)s1 ZINC000095422938 564140153 /nfs/dbraw/zinc/14/01/53/564140153.db2.gz HVCZKYUEJZQQIK-WPRPVWTQSA-N 1 0 332.288 3.956 50 0 EHAARO CC[C@@H]([NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1)c1ccncc1 ZINC000095968442 564143205 /nfs/dbraw/zinc/14/32/05/564143205.db2.gz ZLNRPPRKVFZPIK-RDTXWAMCSA-N 1 0 347.484 3.645 50 0 EHAARO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc2ccccc2n1 ZINC000095969225 564143382 /nfs/dbraw/zinc/14/33/82/564143382.db2.gz DSCVZDJDOYTSMP-GDBMZVCRSA-N 1 0 336.414 3.698 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1F ZINC000095969240 564143384 /nfs/dbraw/zinc/14/33/84/564143384.db2.gz RCHCBQFOAWWZDK-UONOGXRCSA-N 1 0 325.391 3.522 50 0 EHAARO COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCc4nc(C)cn4C3)oc21 ZINC000095987868 564144038 /nfs/dbraw/zinc/14/40/38/564144038.db2.gz XQOOCYCCSFKVOK-UKRRQHHQSA-N 1 0 325.412 3.612 50 0 EHAARO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1csc(C2CC2)n1 ZINC000096421712 564147946 /nfs/dbraw/zinc/14/79/46/564147946.db2.gz RMYDRDZIAWJKPW-LBPRGKRZSA-N 1 0 329.469 3.573 50 0 EHAARO O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000096476561 564148451 /nfs/dbraw/zinc/14/84/51/564148451.db2.gz VIWNYINLWVXVRX-OAHLLOKOSA-N 1 0 330.453 3.613 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cncn3)c2)c1 ZINC000096478969 564148541 /nfs/dbraw/zinc/14/85/41/564148541.db2.gz GDNKABAWAPPSOD-HUUCEWRRSA-N 1 0 349.438 3.638 50 0 EHAARO Fc1ccc2c(C3=CC[N@H+](Cc4cnc5cnccn45)CC3)c[nH]c2c1 ZINC000096489996 564148727 /nfs/dbraw/zinc/14/87/27/564148727.db2.gz ZJJOMUVCICFYKR-UHFFFAOYSA-N 1 0 347.397 3.639 50 0 EHAARO CC[NH+]1CCN(Cc2ccc(N[C@H](C)c3ccc(F)cn3)cc2)CC1 ZINC000097037309 564149212 /nfs/dbraw/zinc/14/92/12/564149212.db2.gz ZTVWCDBDQXGTNK-MRXNPFEDSA-N 1 0 342.462 3.531 50 0 EHAARO O=C(CCCc1ccccc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225686287 564150258 /nfs/dbraw/zinc/15/02/58/564150258.db2.gz UDQOVPYGOCDIGC-JOCHJYFZSA-N 1 0 348.490 3.669 50 0 EHAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(Cl)ccc1Cl ZINC000057288861 564153497 /nfs/dbraw/zinc/15/34/97/564153497.db2.gz OOLKZHVALOSAHV-UHFFFAOYSA-N 1 0 329.271 3.989 50 0 EHAARO C[C@@H](CC(=O)N(C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000057418987 564154248 /nfs/dbraw/zinc/15/42/48/564154248.db2.gz YWXIMKSJHCGSMH-ZDUSSCGKSA-N 1 0 342.405 3.752 50 0 EHAARO O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)c1cc(F)cc(Cl)c1 ZINC000670449444 564159309 /nfs/dbraw/zinc/15/93/09/564159309.db2.gz NZVLZIHIZLVDCF-HNNXBMFYSA-N 1 0 346.833 3.698 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc2cccnc21 ZINC000008157141 564163247 /nfs/dbraw/zinc/16/32/47/564163247.db2.gz HYXQTTOPNLATIY-UHFFFAOYSA-N 1 0 345.446 3.761 50 0 EHAARO Cc1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)s1 ZINC000069453337 564169616 /nfs/dbraw/zinc/16/96/16/564169616.db2.gz IVVHGMFIONMFDT-UHFFFAOYSA-N 1 0 329.469 3.815 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)/C=C/c2cccs2)CC1 ZINC000069530570 564170226 /nfs/dbraw/zinc/17/02/26/564170226.db2.gz HLCQWWOTFFCQCC-CMDGGOBGSA-N 1 0 341.480 3.906 50 0 EHAARO Cc1ccccc1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000069559207 564170417 /nfs/dbraw/zinc/17/04/17/564170417.db2.gz OIKSSGIJZULTIF-UHFFFAOYSA-N 1 0 337.467 3.682 50 0 EHAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000069742557 564171935 /nfs/dbraw/zinc/17/19/35/564171935.db2.gz PWVYSPKVLPAUFT-PMACEKPBSA-N 1 0 339.483 3.576 50 0 EHAARO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000071837214 564175789 /nfs/dbraw/zinc/17/57/89/564175789.db2.gz NXEOYBBOOQWBJO-LJQANCHMSA-N 1 0 338.451 3.864 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H](C)c1ccsc1 ZINC000078052007 564176877 /nfs/dbraw/zinc/17/68/77/564176877.db2.gz KCLQVFQRRTZEIZ-FNHZYXHNSA-N 1 0 340.492 3.995 50 0 EHAARO C[N@H+](CCC(=O)Nc1ccc(F)c(Cl)c1)C1CCSCC1 ZINC000252500697 568419105 /nfs/dbraw/zinc/41/91/05/568419105.db2.gz TUFXITUNSFCFHO-UHFFFAOYSA-N 1 0 330.856 3.635 50 0 EHAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2sc3ccccc3c2Cl)C1 ZINC000254913657 1015010838 /nfs/dbraw/zinc/01/08/38/1015010838.db2.gz WLPRPYZTWFYQKA-ZHRWSRJISA-N 1 0 334.872 3.636 50 0 EHAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000169781500 1032646040 /nfs/dbraw/zinc/64/60/40/1032646040.db2.gz IFMSJBVTCFWARD-INIZCTEOSA-N 1 0 338.854 3.560 50 0 EHAARO [NH2+]=C(Nc1cccc2ccccc21)Nc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000022147743 1018083599 /nfs/dbraw/zinc/08/35/99/1018083599.db2.gz IOIBRSHRWNLOMV-UHFFFAOYSA-N 1 0 347.300 3.813 50 0 EHAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[NH+](CC2CCCC2)CC1 ZINC000020537733 1018179238 /nfs/dbraw/zinc/17/92/38/1018179238.db2.gz OIXFRAMZAISGMH-UHFFFAOYSA-N 1 0 338.499 3.693 50 0 EHAARO C[C@@H]1CCc2sc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2C1 ZINC000176918992 1033483296 /nfs/dbraw/zinc/48/32/96/1033483296.db2.gz FHHYKZVBBAUQLA-GFCCVEGCSA-N 1 0 329.469 3.582 50 0 EHAARO Cc1noc([C@@H]2C[N@H+](CCCc3ccccc3)CC23CCCC3)n1 ZINC000257174196 1034557929 /nfs/dbraw/zinc/55/79/29/1034557929.db2.gz DGCLNLFMGPZCBV-SFHVURJKSA-N 1 0 325.456 3.970 50 0 EHAARO Cc1[nH+]c(CN2CCc3n[nH]c(CC4CCCC4)c3C2)c2ccccn12 ZINC000023310528 1035068496 /nfs/dbraw/zinc/06/84/96/1035068496.db2.gz SOSISNSOMKHSFN-UHFFFAOYSA-N 1 0 349.482 3.657 50 0 EHAARO O=C1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)CCCCCCN1 ZINC000257178986 1038398044 /nfs/dbraw/zinc/39/80/44/1038398044.db2.gz HRAKUFBTGMUTFC-UHFFFAOYSA-N 1 0 328.378 3.588 50 0 EHAARO OCC[C@@H](C[NH2+][C@H]1COCc2cccc(Cl)c21)c1ccccc1 ZINC000798183999 1039536886 /nfs/dbraw/zinc/53/68/86/1039536886.db2.gz PUPNUQTWVOIWEK-YJBOKZPZSA-N 1 0 331.843 3.667 50 0 EHAARO Clc1ccc([C@@H](Cc2cccnc2)[NH2+]CC2=CCCOC2)cc1 ZINC000348248785 1040409224 /nfs/dbraw/zinc/40/92/24/1040409224.db2.gz XMTJIOXHMIHFTK-LJQANCHMSA-N 1 0 328.843 3.955 50 0 EHAARO O=C1Nc2ccccc2C12CCC([NH2+][C@H]1COCc3ccccc31)CC2 ZINC000333936129 1041742899 /nfs/dbraw/zinc/74/28/99/1041742899.db2.gz KDONDWPZRWAAEG-BRFBUHTJSA-N 1 0 348.446 3.680 50 0 EHAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCC[NH+](C)C)cc12 ZINC000000848934 1043994685 /nfs/dbraw/zinc/99/46/85/1043994685.db2.gz NYQDAZPGTACXPI-UHFFFAOYSA-N 1 0 349.478 3.598 50 0 EHAARO Cc1nc(NC(=O)[C@H]2CCC[NH2+]C2)sc1Cc1ccccc1Cl ZINC000154645378 1122754985 /nfs/dbraw/zinc/75/49/85/1122754985.db2.gz ITLHFAJNPRNULT-ZDUSSCGKSA-N 1 0 349.887 3.634 50 0 EHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](CC=C(C)C)CC1 ZINC000011878780 1129112016 /nfs/dbraw/zinc/11/20/16/1129112016.db2.gz YIFNGYZENBXHEL-UHFFFAOYSA-N 1 0 345.483 3.849 50 0 EHAARO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc4c(c3)OCO4)c21 ZINC000181332235 1124761574 /nfs/dbraw/zinc/76/15/74/1124761574.db2.gz PFFCCPZULRROIX-ZDUSSCGKSA-N 1 0 338.407 3.799 50 0 EHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N1CCCCCCC1)C[C@H](C)O2 ZINC000014989783 1129593487 /nfs/dbraw/zinc/59/34/87/1129593487.db2.gz IMXATPRVPUKHCU-SFHVURJKSA-N 1 0 344.499 3.761 50 0 EHAARO Nc1n[nH]c(C2CC[NH+](Cc3ccc(C4CCCCC4)s3)CC2)n1 ZINC000827593177 1131386347 /nfs/dbraw/zinc/38/63/47/1131386347.db2.gz ZXKXAXMGAVQQPI-UHFFFAOYSA-N 1 0 345.516 3.876 50 0 EHAARO Cc1cccc(CN2CC[C@H]([N@H+](C)Cc3ccco3)CCC2=O)c1 ZINC000012455422 1129944289 /nfs/dbraw/zinc/94/42/89/1129944289.db2.gz KCWYZBUHGYLERP-GOSISDBHSA-N 1 0 326.440 3.601 50 0 EHAARO CCc1nccn1C[C@@H](C)[NH2+]CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000823557463 1131073655 /nfs/dbraw/zinc/07/36/55/1131073655.db2.gz QVUHMBRHUJCRCR-CYBMUJFWSA-N 1 0 345.878 3.586 50 0 EHAARO CC(C)c1ccc(-c2nn3c(nnc3C3CC[NH+](C)CC3)s2)cc1 ZINC000823765980 1131080619 /nfs/dbraw/zinc/08/06/19/1131080619.db2.gz LOCYVOAVEUGSPM-UHFFFAOYSA-N 1 0 341.484 3.785 50 0 EHAARO Cc1cc(C(=O)NCCn2cnc(C)c2C)sc1-c1ccccc1 ZINC000828144050 1131422456 /nfs/dbraw/zinc/42/24/56/1131422456.db2.gz JBGKBVPEGHOFRI-UHFFFAOYSA-N 1 0 339.464 3.967 50 0 EHAARO CC(C)[N@@H+]1CC2(CCN(C(=O)c3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000581802761 1132362691 /nfs/dbraw/zinc/36/26/91/1132362691.db2.gz PFYSOCGRQAQPSX-FQEVSTJZSA-N 1 0 349.478 3.769 50 0 EHAARO FC(F)n1c(C[NH2+][C@H]2CCc3ccccc3OC2)nc2ccccc21 ZINC000585080264 1136964561 /nfs/dbraw/zinc/96/45/61/1136964561.db2.gz WPYQOEBTGKWTKK-AWEZNQCLSA-N 1 0 343.377 3.915 50 0 EHAARO Clc1ccc2c(c1)[C@H]([NH2+]Cc1cnc3n1CCCC3)CCCO2 ZINC000585081483 1136966904 /nfs/dbraw/zinc/96/69/04/1136966904.db2.gz WIMKDSXETAZNKB-MRXNPFEDSA-N 1 0 331.847 3.876 50 0 EHAARO COc1ccc(C[NH2+][C@H]2CCCc3cnn(C(C)C)c32)c(C)c1OC ZINC000585083562 1136969866 /nfs/dbraw/zinc/96/98/66/1136969866.db2.gz GGANYBBGRSKOHB-KRWDZBQOSA-N 1 0 343.471 3.957 50 0 EHAARO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000585084695 1136975614 /nfs/dbraw/zinc/97/56/14/1136975614.db2.gz UWPZBRICFRCRSN-IBGZPJMESA-N 1 0 338.455 3.938 50 0 EHAARO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C)cc1Cl ZINC000585088275 1136988974 /nfs/dbraw/zinc/98/89/74/1136988974.db2.gz SJJDVIFZSAMANP-UHFFFAOYSA-N 1 0 332.831 3.971 50 0 EHAARO CC1(C(=O)N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000585126909 1137017354 /nfs/dbraw/zinc/01/73/54/1137017354.db2.gz KXICDSYKGORMQX-UHFFFAOYSA-N 1 0 326.484 3.691 50 0 EHAARO COc1ccccc1CCC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000041970491 1137306726 /nfs/dbraw/zinc/30/67/26/1137306726.db2.gz LERFHBMXCVRVHB-UHFFFAOYSA-N 1 0 338.451 3.862 50 0 EHAARO COc1cccc(CCCNC(=O)C2([NH+]3CCCC3)CCCCC2)c1 ZINC000952974097 1137484564 /nfs/dbraw/zinc/48/45/64/1137484564.db2.gz VZQRRJIWOMTZRZ-UHFFFAOYSA-N 1 0 344.499 3.543 50 0 EHAARO CCOc1ccc(CN(C)[C@H](COC)c2ccccn2)cc1Cl ZINC000952974116 1137484604 /nfs/dbraw/zinc/48/46/04/1137484604.db2.gz LBTSNUUCBFJRNU-QGZVFWFLSA-N 1 0 334.847 3.953 50 0 EHAARO c1csc(C[NH+]2CCC(Nc3nc(-c4ccccc4)no3)CC2)c1 ZINC000952979738 1137484852 /nfs/dbraw/zinc/48/48/52/1137484852.db2.gz ZNADATDXAUYLQJ-UHFFFAOYSA-N 1 0 340.452 3.875 50 0 EHAARO Cc1cc(C)cc([C@H](C)NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000107333078 1139722617 /nfs/dbraw/zinc/72/26/17/1139722617.db2.gz ZAWYWHLLNWLTHF-INIZCTEOSA-N 1 0 331.504 3.927 50 0 EHAARO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000053233566 214170836 /nfs/dbraw/zinc/17/08/36/214170836.db2.gz IZRZBAAFLPJAGZ-CYBMUJFWSA-N 1 0 327.815 3.541 50 0 EHAARO Cc1c[nH]nc1C1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000097743050 219053521 /nfs/dbraw/zinc/05/35/21/219053521.db2.gz GCZINEHPFYQDSV-UHFFFAOYSA-N 1 0 341.499 3.801 50 0 EHAARO Cc1cc(C)c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)c(C)c1CO ZINC000055168894 214282633 /nfs/dbraw/zinc/28/26/33/214282633.db2.gz QIHUQGKBTIADEY-HNNXBMFYSA-N 1 0 325.452 3.717 50 0 EHAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1cccnc1 ZINC000055244940 214293455 /nfs/dbraw/zinc/29/34/55/214293455.db2.gz CGZXUPKXTJTZSL-MRXNPFEDSA-N 1 0 339.487 3.801 50 0 EHAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccc(OCC)cc2)CC1 ZINC000004683216 210246938 /nfs/dbraw/zinc/24/69/38/210246938.db2.gz RNLWGZAXYXSKHH-UHFFFAOYSA-N 1 0 349.544 3.978 50 0 EHAARO OCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000004670744 210242821 /nfs/dbraw/zinc/24/28/21/210242821.db2.gz CIQRQVHTRQNRKO-UHFFFAOYSA-N 1 0 326.223 3.654 50 0 EHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccc(F)cc1 ZINC000004488507 210201152 /nfs/dbraw/zinc/20/11/52/210201152.db2.gz ACTFAIZNLJPPQB-SFHVURJKSA-N 1 0 345.414 3.682 50 0 EHAARO CC(C)Oc1c(Cl)cccc1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000101355618 219124346 /nfs/dbraw/zinc/12/43/46/219124346.db2.gz PMWYYNVHIWZRMP-CQSZACIVSA-N 1 0 349.862 3.605 50 0 EHAARO Cc1ccc(Cl)cc1-n1nnnc1C1([NH+]2CCCC2)CCCCC1 ZINC000004007080 210098874 /nfs/dbraw/zinc/09/88/74/210098874.db2.gz MCHTXJYUPODYOH-UHFFFAOYSA-N 1 0 345.878 3.879 50 0 EHAARO COCC[NH2+]CCCOc1ccc2ccccc2c1Br ZINC000003460939 210046507 /nfs/dbraw/zinc/04/65/07/210046507.db2.gz QSQQUHLTTFUKIS-UHFFFAOYSA-N 1 0 338.245 3.607 50 0 EHAARO O=C1CCC2(CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)CCN1 ZINC000067674818 215180711 /nfs/dbraw/zinc/18/07/11/215180711.db2.gz IVSCKTKVXKHRSJ-UHFFFAOYSA-N 1 0 349.478 3.631 50 0 EHAARO O=C(NC[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000067784990 215210299 /nfs/dbraw/zinc/21/02/99/215210299.db2.gz MHUMYFPSQPDQAO-MRXNPFEDSA-N 1 0 339.483 3.686 50 0 EHAARO O=C(NC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000067784996 215210377 /nfs/dbraw/zinc/21/03/77/215210377.db2.gz MHUMYFPSQPDQAO-INIZCTEOSA-N 1 0 339.483 3.686 50 0 EHAARO C[C@@H](c1cc2ccccc2[nH]1)[N@H+](C)CCC(=O)Nc1nccs1 ZINC000067821486 215223252 /nfs/dbraw/zinc/22/32/52/215223252.db2.gz MZRHBFDHISHQQW-LBPRGKRZSA-N 1 0 328.441 3.646 50 0 EHAARO Cc1nc2c(c(N[C@@H](Cc3ccccc3)c3ccccc3)n1)CC[NH2+]C2 ZINC000067894908 215243463 /nfs/dbraw/zinc/24/34/63/215243463.db2.gz MKCWXJOJIBNUSW-FQEVSTJZSA-N 1 0 344.462 3.827 50 0 EHAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccco2)C1)Nc1ccccc1Cl ZINC000067908683 215247502 /nfs/dbraw/zinc/24/75/02/215247502.db2.gz OPKUCQVBDJHOEU-ZDUSSCGKSA-N 1 0 333.819 3.577 50 0 EHAARO CO[C@H](C)c1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000067921234 215251564 /nfs/dbraw/zinc/25/15/64/215251564.db2.gz CLJYMTGZCWMNTO-QGZVFWFLSA-N 1 0 340.467 3.934 50 0 EHAARO CC(C)[N@@H+]1CCN(Cc2ccc(C3CCCC3)s2)C[C@H]1CCO ZINC000104508832 219391441 /nfs/dbraw/zinc/39/14/41/219391441.db2.gz HFVCPSQDCNZMGD-QGZVFWFLSA-N 1 0 336.545 3.683 50 0 EHAARO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)COCc1cccs1 ZINC000040160717 213276911 /nfs/dbraw/zinc/27/69/11/213276911.db2.gz XXHWVLCNDKJLFQ-LPHOPBHVSA-N 1 0 345.508 3.926 50 0 EHAARO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)COc3ccccc3)cc2)C1 ZINC000040107906 213267485 /nfs/dbraw/zinc/26/74/85/213267485.db2.gz AEBOJTNKVYJYIK-QGZVFWFLSA-N 1 0 338.451 3.936 50 0 EHAARO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)COc3ccccc3)cc2)C1 ZINC000040107907 213267020 /nfs/dbraw/zinc/26/70/20/213267020.db2.gz AEBOJTNKVYJYIK-KRWDZBQOSA-N 1 0 338.451 3.936 50 0 EHAARO O[C@@H](c1ccccc1)C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000040050245 213255416 /nfs/dbraw/zinc/25/54/16/213255416.db2.gz DVYIFRNFSDXYRS-QFIPXVFZSA-N 1 0 347.462 3.818 50 0 EHAARO C[C@@H](c1nc(-c2cccs2)no1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000069615945 215498656 /nfs/dbraw/zinc/49/86/56/215498656.db2.gz HKVZZTMXRRXJEL-ZDUSSCGKSA-N 1 0 346.500 3.856 50 0 EHAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)c1 ZINC000069659338 215522362 /nfs/dbraw/zinc/52/23/62/215522362.db2.gz DAISLJGRSFGHHU-QWHCGFSZSA-N 1 0 330.457 3.956 50 0 EHAARO CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037570619 213157973 /nfs/dbraw/zinc/15/79/73/213157973.db2.gz HXZZQSZRFXIICL-UHFFFAOYSA-N 1 0 344.405 3.982 50 0 EHAARO Cc1ccccc1C[N@@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036104469 213069086 /nfs/dbraw/zinc/06/90/86/213069086.db2.gz KWGJWJICWZRSCK-OAQYLSRUSA-N 1 0 327.468 3.783 50 0 EHAARO COc1cc(C[NH2+]C2CCC(O)CC2)cc(Cl)c1OC(C)C ZINC000071831308 215863333 /nfs/dbraw/zinc/86/33/33/215863333.db2.gz HWMGYMGITHKROC-UHFFFAOYSA-N 1 0 327.852 3.529 50 0 EHAARO Cc1cc(C)c2[nH]c(=O)c(C[NH+]3CCC4(CCOCC4)CC3)cc2c1 ZINC000072127473 216018130 /nfs/dbraw/zinc/01/81/30/216018130.db2.gz SIKZGFJHJVMQQU-UHFFFAOYSA-N 1 0 340.467 3.538 50 0 EHAARO CC[C@@H]1CN(Cc2cc3ccccc3nc2OC)CC[N@@H+]1C(C)C ZINC000072145199 216031727 /nfs/dbraw/zinc/03/17/27/216031727.db2.gz BNNZAAYEZCWGSR-GOSISDBHSA-N 1 0 327.472 3.548 50 0 EHAARO C[NH+](C)CCNc1cc(-c2ccc(Cl)cc2F)c2cc[nH]c2n1 ZINC000072152068 216040990 /nfs/dbraw/zinc/04/09/90/216040990.db2.gz FYBMKOKBDNLGLT-UHFFFAOYSA-N 1 0 332.810 3.996 50 0 EHAARO Oc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000072164705 216052969 /nfs/dbraw/zinc/05/29/69/216052969.db2.gz WPSQZTBQTTYMKL-UHFFFAOYSA-N 1 0 348.849 3.893 50 0 EHAARO Cc1c[nH]c(C[N@@H+]2CCCC[C@H]2CCc2cccc(O)c2)c(C)c1=O ZINC000072163553 216051236 /nfs/dbraw/zinc/05/12/36/216051236.db2.gz DUOYQZHVNLTKSB-SFHVURJKSA-N 1 0 340.467 3.685 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000072267586 216087437 /nfs/dbraw/zinc/08/74/37/216087437.db2.gz JFWXSIUPFQNNGY-IBGZPJMESA-N 1 0 335.455 3.626 50 0 EHAARO Cc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1Br ZINC000000269601 209512259 /nfs/dbraw/zinc/51/22/59/209512259.db2.gz WZICYQBHCPIKED-UHFFFAOYSA-N 1 0 325.250 3.572 50 0 EHAARO CSCc1ccc(C(=O)N[C@H]2CC[C@H]2[NH2+]C2CCCCCC2)o1 ZINC000072431880 216224929 /nfs/dbraw/zinc/22/49/29/216224929.db2.gz UENKINXAZXZEEU-CVEARBPZSA-N 1 0 336.501 3.716 50 0 EHAARO Cc1cccc([C@@H](CNc2cc(C(C)C)nc3ccnn32)[NH+](C)C)c1 ZINC000072472864 216250592 /nfs/dbraw/zinc/25/05/92/216250592.db2.gz HLAPVBQAWDIMMU-GOSISDBHSA-N 1 0 337.471 3.876 50 0 EHAARO CCc1cc(NC[C@@H](c2cccs2)[NH+](C)C)n2nc(C)c(C)c2n1 ZINC000072477239 216255468 /nfs/dbraw/zinc/25/54/68/216255468.db2.gz QNCTYULPKHTXFV-HNNXBMFYSA-N 1 0 343.500 3.685 50 0 EHAARO CN(C)[C@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)c1cnn(C)c1 ZINC000130143142 223127013 /nfs/dbraw/zinc/12/70/13/223127013.db2.gz CLKCVNAPHHQZPN-RBUKOAKNSA-N 1 0 346.906 3.734 50 0 EHAARO O=C(CSc1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023191930 212360125 /nfs/dbraw/zinc/36/01/25/212360125.db2.gz ONPICRLTQFHMBL-UHFFFAOYSA-N 1 0 346.521 3.621 50 0 EHAARO CC[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000022683106 212316704 /nfs/dbraw/zinc/31/67/04/212316704.db2.gz SKEIAPKEOFSDFW-OALUTQOASA-N 1 0 328.431 3.738 50 0 EHAARO Cc1ccc(CCC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000022682850 212315698 /nfs/dbraw/zinc/31/56/98/212315698.db2.gz YCMDFUUDYQIJCJ-HXUWFJFHSA-N 1 0 342.458 3.794 50 0 EHAARO c1ccc(CNC2(c3nnnn3-c3ccccc3)CCCCC2)cc1 ZINC000022436704 212297292 /nfs/dbraw/zinc/29/72/92/212297292.db2.gz WBBPJTMAIVWVQD-UHFFFAOYSA-N 1 0 333.439 3.612 50 0 EHAARO c1csc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)c1 ZINC000194076623 240428892 /nfs/dbraw/zinc/42/88/92/240428892.db2.gz ZNSNUBBONITUCJ-KBAYOESNSA-N 1 0 332.513 3.654 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000215019786 241103339 /nfs/dbraw/zinc/10/33/39/241103339.db2.gz ZGGVCUVGVIDVKO-GFCCVEGCSA-N 1 0 331.847 3.520 50 0 EHAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C\c1cc2ccccc2o1 ZINC000229769014 242198959 /nfs/dbraw/zinc/19/89/59/242198959.db2.gz FYYXPJOZBQUVEH-REDNKSFVSA-N 1 0 326.440 3.683 50 0 EHAARO O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229714109 242192398 /nfs/dbraw/zinc/19/23/98/242192398.db2.gz BLQCGCFSMRRQPV-YADHBBJMSA-N 1 0 348.490 3.952 50 0 EHAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000021175389 212213973 /nfs/dbraw/zinc/21/39/73/212213973.db2.gz HNBPNUQVQPNMMO-GFCCVEGCSA-N 1 0 339.842 3.865 50 0 EHAARO CCOc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000021148682 212211416 /nfs/dbraw/zinc/21/14/16/212211416.db2.gz GKCZYXBZFMTTGT-SFHVURJKSA-N 1 0 330.472 3.566 50 0 EHAARO CCOc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000021148691 212210843 /nfs/dbraw/zinc/21/08/43/212210843.db2.gz YJUMJFRYSFIEDI-QGZVFWFLSA-N 1 0 330.472 3.566 50 0 EHAARO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCOC2)cc1 ZINC000243885706 243027949 /nfs/dbraw/zinc/02/79/49/243027949.db2.gz ABPVADLNBCVTBC-SFHVURJKSA-N 1 0 326.440 3.519 50 0 EHAARO Cc1cccnc1C[C@H](C)[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000243892627 243030826 /nfs/dbraw/zinc/03/08/26/243030826.db2.gz AJTFBCHQARYMQF-AWEZNQCLSA-N 1 0 340.402 3.642 50 0 EHAARO Cc1ccc(OCC[NH+]2CCC([C@@H](O)c3ccccn3)CC2)c(C)c1 ZINC000244659871 243054115 /nfs/dbraw/zinc/05/41/15/243054115.db2.gz HKDSARLCFQKTRT-OAQYLSRUSA-N 1 0 340.467 3.523 50 0 EHAARO Cc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCO2)cc1Cl ZINC000244872867 243088824 /nfs/dbraw/zinc/08/88/24/243088824.db2.gz WFSWBWWMFLGSLX-MRXNPFEDSA-N 1 0 338.879 3.868 50 0 EHAARO CC(C)Oc1ccc([C@@H](CC[NH2+]CCN2CCOCC2)C(C)C)cc1 ZINC000020591404 212150365 /nfs/dbraw/zinc/15/03/65/212150365.db2.gz MFDYGNNGSHERJQ-NRFANRHFSA-N 1 0 348.531 3.525 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574418 212149124 /nfs/dbraw/zinc/14/91/24/212149124.db2.gz XBDVZKUHRVCYHN-UHFFFAOYSA-N 1 0 343.406 3.568 50 0 EHAARO OCC1(Cc2ccccc2Cl)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000020454058 212131017 /nfs/dbraw/zinc/13/10/17/212131017.db2.gz UPDYHDLGUIFBKB-UHFFFAOYSA-N 1 0 345.870 3.863 50 0 EHAARO O[C@](C[NH2+]Cc1ccc(F)cc1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365994 212122394 /nfs/dbraw/zinc/12/23/94/212122394.db2.gz RSFCFZRQLAZGQT-OAQYLSRUSA-N 1 0 339.385 3.991 50 0 EHAARO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000019835924 212074630 /nfs/dbraw/zinc/07/46/30/212074630.db2.gz KBZKVFLNOHXJCH-KRWDZBQOSA-N 1 0 336.414 3.990 50 0 EHAARO COc1ccc(C[NH2+]CCc2cccc(F)c2)cc1Br ZINC000019720786 212058173 /nfs/dbraw/zinc/05/81/73/212058173.db2.gz KTZSTWBHFMAEMT-UHFFFAOYSA-N 1 0 338.220 3.929 50 0 EHAARO Brc1cccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000019361700 212021066 /nfs/dbraw/zinc/02/10/66/212021066.db2.gz IXBNXMFMQRXNFB-MRXNPFEDSA-N 1 0 349.316 3.923 50 0 EHAARO Cc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000044932066 213676697 /nfs/dbraw/zinc/67/66/97/213676697.db2.gz IMBFIIKKKONDRL-UHFFFAOYSA-N 1 0 340.442 3.663 50 0 EHAARO COCc1ccc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)o1 ZINC000019223058 212006159 /nfs/dbraw/zinc/00/61/59/212006159.db2.gz LVPKYLJFCYRSQB-GOSISDBHSA-N 1 0 328.456 3.522 50 0 EHAARO C[NH+]1CCC(Oc2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000078578691 217079816 /nfs/dbraw/zinc/07/98/16/217079816.db2.gz ILJJKYQSNFKIOF-KPKJPENVSA-N 1 0 336.435 3.812 50 0 EHAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](C2CCCCC2)CC1 ZINC000012477702 211392489 /nfs/dbraw/zinc/39/24/89/211392489.db2.gz DNYIKZLOOJRLAZ-UHFFFAOYSA-N 1 0 332.492 3.837 50 0 EHAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](CCCSC)C2)cc1C ZINC000012387377 211365541 /nfs/dbraw/zinc/36/55/41/211365541.db2.gz DZJWNAUSALGFLF-MRXNPFEDSA-N 1 0 335.513 3.960 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c(C)n1 ZINC000012301041 211336551 /nfs/dbraw/zinc/33/65/51/211336551.db2.gz COURMZPYYCVBCQ-FQEVSTJZSA-N 1 0 326.488 3.905 50 0 EHAARO COc1ccc([C@@H](CNC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000012062594 211284816 /nfs/dbraw/zinc/28/48/16/211284816.db2.gz HIFFGYRGVBBGKT-QGZVFWFLSA-N 1 0 344.480 3.714 50 0 EHAARO CC(C)C[NH+]1CCC([C@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C2)CC1 ZINC000011935055 211271897 /nfs/dbraw/zinc/27/18/97/211271897.db2.gz GFELWEVJQHTDEC-HNNXBMFYSA-N 1 0 346.437 3.545 50 0 EHAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000011874282 211262491 /nfs/dbraw/zinc/26/24/91/211262491.db2.gz QJIQYHGCBIIBBN-UHFFFAOYSA-N 1 0 339.863 3.522 50 0 EHAARO O=C(c1cc2ccccc2cn1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091550896 218020415 /nfs/dbraw/zinc/02/04/15/218020415.db2.gz GWRCRYJJCZJCBW-YLJYHZDGSA-N 1 0 349.478 3.571 50 0 EHAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000011842842 211255776 /nfs/dbraw/zinc/25/57/76/211255776.db2.gz KUPFVRFPCGJAIL-MRXNPFEDSA-N 1 0 331.847 3.522 50 0 EHAARO COc1ccccc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000011813148 211248382 /nfs/dbraw/zinc/24/83/82/211248382.db2.gz FZOILZPMWYTVNQ-UHFFFAOYSA-N 1 0 325.452 3.512 50 0 EHAARO C[C@@H](c1ccc(-c2cn(C3Cc4ccccc4C3)nn2)cc1)[NH+](C)C ZINC000091663297 218042508 /nfs/dbraw/zinc/04/25/08/218042508.db2.gz YXCRURLLNPCUSY-HNNXBMFYSA-N 1 0 332.451 3.908 50 0 EHAARO CC(=O)c1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)c1 ZINC000011665116 211231869 /nfs/dbraw/zinc/23/18/69/211231869.db2.gz FDEWDCMDDNZVCO-IBGZPJMESA-N 1 0 346.434 3.637 50 0 EHAARO CCC[N@H+](Cc1cc(C(N)=O)cs1)[C@@H]1CCc2ccccc2C1 ZINC000092438397 218141502 /nfs/dbraw/zinc/14/15/02/218141502.db2.gz JNDJZCFXDPSHNR-QGZVFWFLSA-N 1 0 328.481 3.617 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 ZINC000010383782 211168792 /nfs/dbraw/zinc/16/87/92/211168792.db2.gz ZPAXXNYDPJXTDT-URBSSHSUSA-N 1 0 335.532 3.558 50 0 EHAARO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000009594212 211105131 /nfs/dbraw/zinc/10/51/31/211105131.db2.gz OAFOUPWOUGRJGO-INIZCTEOSA-N 1 0 339.483 3.774 50 0 EHAARO CC(C)=CCC[N@@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095371282 218303793 /nfs/dbraw/zinc/30/37/93/218303793.db2.gz RLXHDAHVNKWOOR-INIZCTEOSA-N 1 0 330.501 3.924 50 0 EHAARO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCOC2)c1 ZINC000095373460 218306259 /nfs/dbraw/zinc/30/62/59/218306259.db2.gz ZZHBWDIOFOVZJL-OAHLLOKOSA-N 1 0 339.464 3.727 50 0 EHAARO Cc1cc(C)c2c(ncnc2NC[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000095377907 218310679 /nfs/dbraw/zinc/31/06/79/218310679.db2.gz IODZKCBQKTUMSB-MRXNPFEDSA-N 1 0 339.487 3.708 50 0 EHAARO c1ccc2c(c1)[nH+]ccc2N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000095394645 218326637 /nfs/dbraw/zinc/32/66/37/218326637.db2.gz VHACKJWAHRMASO-SFHVURJKSA-N 1 0 333.439 3.894 50 0 EHAARO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095419633 218359297 /nfs/dbraw/zinc/35/92/97/218359297.db2.gz DPUQFDLPCQSLCP-MGPUTAFESA-N 1 0 326.440 3.553 50 0 EHAARO O=C(CCn1ccnc1)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000095413188 218350960 /nfs/dbraw/zinc/35/09/60/218350960.db2.gz BBSITCYARIKSOW-UHFFFAOYSA-N 1 0 343.333 3.982 50 0 EHAARO C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccc(F)cc1 ZINC000095420455 218360592 /nfs/dbraw/zinc/36/05/92/218360592.db2.gz UTBIUEPYFOQPNE-DNVCBOLYSA-N 1 0 326.415 3.840 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cncc(F)c1 ZINC000095421045 218363273 /nfs/dbraw/zinc/36/32/73/218363273.db2.gz POJUCCZQAXUCFV-STQMWFEESA-N 1 0 335.373 3.676 50 0 EHAARO COc1ccc([C@H](C)[NH2+]CCCc2nc(C)cs2)cc1NC(C)=O ZINC000095421644 218363601 /nfs/dbraw/zinc/36/36/01/218363601.db2.gz NEOPWAVGUGZECF-ZDUSSCGKSA-N 1 0 347.484 3.702 50 0 EHAARO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000095421703 218363924 /nfs/dbraw/zinc/36/39/24/218363924.db2.gz XJZGQYZAWWRRBD-QFIPXVFZSA-N 1 0 348.490 3.747 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2scnc2C)cc1Cn1cccn1 ZINC000095421960 218364161 /nfs/dbraw/zinc/36/41/61/218364161.db2.gz YDSOQCYFPXXEMW-ZDUSSCGKSA-N 1 0 342.468 3.556 50 0 EHAARO OCCOc1ccccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000095423111 218365109 /nfs/dbraw/zinc/36/51/09/218365109.db2.gz CVLWYLYMEDTDEO-INIZCTEOSA-N 1 0 333.428 3.524 50 0 EHAARO Cc1csc([C@H]([NH2+][C@H](C)CC(=O)N2CCCCCC2)C2CC2)n1 ZINC000095423333 218366251 /nfs/dbraw/zinc/36/62/51/218366251.db2.gz QDUNGLIKCAZVEJ-CXAGYDPISA-N 1 0 335.517 3.673 50 0 EHAARO COc1ccc2oc(C[NH2+]C[C@H]3CC(=O)Nc4ccccc43)cc2c1 ZINC000095448673 218393046 /nfs/dbraw/zinc/39/30/46/218393046.db2.gz JJSWEENHGYFFTB-CQSZACIVSA-N 1 0 336.391 3.657 50 0 EHAARO C[C@H](C[C@H](C)[NH2+]CC1(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000095455517 218398768 /nfs/dbraw/zinc/39/87/68/218398768.db2.gz QLFYYPJFPUXHQI-JKSUJKDBSA-N 1 0 332.488 4.000 50 0 EHAARO COc1ccc(-c2c[n+]3ccccc3n2Cc2ccccc2)cc1OC ZINC000006566267 210655345 /nfs/dbraw/zinc/65/53/45/210655345.db2.gz XZVNRXGWJAEJIE-UHFFFAOYSA-N 1 0 345.422 3.959 50 0 EHAARO CC[NH+](CC)C1CCN(C(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000096410137 218764071 /nfs/dbraw/zinc/76/40/71/218764071.db2.gz DLGLYZGHCGTDFK-KTKRTIGZSA-N 1 0 337.467 3.581 50 0 EHAARO O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000096426728 218796829 /nfs/dbraw/zinc/79/68/29/218796829.db2.gz XGFUKUALVNQHMV-PDRSHUBSSA-N 1 0 330.516 3.537 50 0 EHAARO CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000005045789 210373164 /nfs/dbraw/zinc/37/31/64/210373164.db2.gz AQEAOCFGQWJGPE-UHFFFAOYSA-N 1 0 334.891 3.811 50 0 EHAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000097232107 219000619 /nfs/dbraw/zinc/00/06/19/219000619.db2.gz IYZUBVFXRPFSIQ-HBUWYVDXSA-N 1 0 327.428 3.673 50 0 EHAARO O[C@](c1ccccc1)(c1ccccc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000004826522 210289247 /nfs/dbraw/zinc/28/92/47/210289247.db2.gz AZEBCQMVERBYRZ-UYAOXDASSA-N 1 0 327.855 3.918 50 0 EHAARO O=C(/C=C\c1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000097521144 219032551 /nfs/dbraw/zinc/03/25/51/219032551.db2.gz UTZMDAZJBPXCAT-CGQZWFTASA-N 1 0 344.842 3.900 50 0 EHAARO Cc1ccc(CN(C(=O)c2cc(C)ccc2OCC[NH3+])C2CC2)s1 ZINC000299755931 258074406 /nfs/dbraw/zinc/07/44/06/258074406.db2.gz GKIIMISRAYJTKB-UHFFFAOYSA-N 1 0 344.480 3.507 50 0 EHAARO Cc1ccccc1-c1cc2c(c(OC[C@@H]3CCOC3)c1)OCC[NH2+]C2 ZINC000299757010 258074651 /nfs/dbraw/zinc/07/46/51/258074651.db2.gz GNEPHCJJYFFPCI-MRXNPFEDSA-N 1 0 339.435 3.559 50 0 EHAARO CC[C@H](C)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 ZINC000055060984 132193211 /nfs/dbraw/zinc/19/32/11/132193211.db2.gz HQIAKMYEODCDRY-HOTGVXAUSA-N 1 0 329.488 3.559 50 0 EHAARO CCn1c2ccccc2cc/c1=[NH+]\c1ccc(N2CCOCC2)cc1 ZINC000013116460 135699654 /nfs/dbraw/zinc/69/96/54/135699654.db2.gz IVJWBCSSICFRKG-QURGRASLSA-N 1 0 333.435 3.730 50 0 EHAARO CCn1c2ccccc2c2cc(C[NH+]3CCC(C(N)=O)CC3)ccc21 ZINC000002498571 523275883 /nfs/dbraw/zinc/27/58/83/523275883.db2.gz FVLQNTQMYNKLSC-UHFFFAOYSA-N 1 0 335.451 3.512 50 0 EHAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COC(C)C)cc1 ZINC000036101739 524420765 /nfs/dbraw/zinc/42/07/65/524420765.db2.gz WSSHOTRPWQNXIK-OAQYLSRUSA-N 1 0 327.468 3.783 50 0 EHAARO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000191445491 528629584 /nfs/dbraw/zinc/62/95/84/528629584.db2.gz JFBKRASWHWXNLZ-OPGSHWCFSA-N 1 0 345.892 3.537 50 0 EHAARO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000195558535 535808381 /nfs/dbraw/zinc/80/83/81/535808381.db2.gz HFFBJQXETUQTFZ-IAGOWNOFSA-N 1 0 333.476 3.912 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(C(F)F)s2)C1 ZINC000097047827 563966993 /nfs/dbraw/zinc/96/69/93/563966993.db2.gz FTFUAJAEUGQSQX-RYUDHWBXSA-N 1 0 330.448 3.567 50 0 EHAARO O[C@H](COCc1ccccc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000273426 563270214 /nfs/dbraw/zinc/27/02/14/563270214.db2.gz OGNPTZCLZHLBHT-QFIPXVFZSA-N 1 0 339.479 3.519 50 0 EHAARO COc1cccc(C[NH2+]Cc2ccc(Br)cc2)c1OC ZINC000000293497 563274154 /nfs/dbraw/zinc/27/41/54/563274154.db2.gz ZSUAEARDUIGVOI-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1ccccc1Cl ZINC000000359884 563292847 /nfs/dbraw/zinc/29/28/47/563292847.db2.gz FZYPYVNPXFNUNC-UHFFFAOYSA-N 1 0 349.858 3.788 50 0 EHAARO CCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CCCC2)C1 ZINC000584901886 563417289 /nfs/dbraw/zinc/41/72/89/563417289.db2.gz LOXXLLIRHAHEDD-GOSISDBHSA-N 1 0 329.488 3.625 50 0 EHAARO CCOC(=O)c1ccccc1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515055 563435962 /nfs/dbraw/zinc/43/59/62/563435962.db2.gz XDDJANKCZWHGIL-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO CCOc1ccc([C@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000005215500 563523299 /nfs/dbraw/zinc/52/32/99/563523299.db2.gz QGGNEDNGBGUYNC-RTWAWAEBSA-N 1 0 325.452 3.998 50 0 EHAARO COc1ccc(C2(C[NH2+][C@H](C)c3nnc(C)o3)CCCCC2)cc1 ZINC000071902599 563555460 /nfs/dbraw/zinc/55/54/60/563555460.db2.gz GQLCGSXQWXTYDE-CQSZACIVSA-N 1 0 329.444 3.939 50 0 EHAARO Cc1ccc(C)c([N+]2=C3CCCCN3[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000002966273 563624340 /nfs/dbraw/zinc/62/43/40/563624340.db2.gz SFOGTWPOGMSTQI-OAQYLSRUSA-N 1 0 339.434 3.703 50 0 EHAARO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000013116874 563688469 /nfs/dbraw/zinc/68/84/69/563688469.db2.gz WQSJKFDKTGKSBV-FXAWDEMLSA-N 1 0 325.452 3.825 50 0 EHAARO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2CC3)cc1 ZINC000013124878 563689124 /nfs/dbraw/zinc/68/91/24/563689124.db2.gz GFCLNQMRKBDWHH-SFHVURJKSA-N 1 0 334.810 3.957 50 0 EHAARO O=C(/C=C/c1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000013624011 563704349 /nfs/dbraw/zinc/70/43/49/563704349.db2.gz UTZMDAZJBPXCAT-PYUISTEWSA-N 1 0 344.842 3.900 50 0 EHAARO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1cccc2cccnc21 ZINC000032865621 563766061 /nfs/dbraw/zinc/76/60/61/563766061.db2.gz CVBFEZHEDOWGSX-UHFFFAOYSA-N 1 0 349.434 3.704 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc(OC)c1 ZINC000015064816 563774640 /nfs/dbraw/zinc/77/46/40/563774640.db2.gz XHFDAFWPKAEORN-GOSISDBHSA-N 1 0 326.440 3.780 50 0 EHAARO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000015065229 563775239 /nfs/dbraw/zinc/77/52/39/563775239.db2.gz PFFJLKJTEBAJPO-FQEVSTJZSA-N 1 0 342.414 3.547 50 0 EHAARO CCC[NH2+]Cc1cc(Br)ccc1OCc1cccnc1 ZINC000015356901 563783528 /nfs/dbraw/zinc/78/35/28/563783528.db2.gz KLKZIWOCGMBFML-UHFFFAOYSA-N 1 0 335.245 3.923 50 0 EHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c2ccccc12 ZINC000032902463 563787932 /nfs/dbraw/zinc/78/79/32/563787932.db2.gz HRCIWLNBLWGGKK-KRWDZBQOSA-N 1 0 339.464 3.796 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCC(C)CC2)o1 ZINC000015860320 563796991 /nfs/dbraw/zinc/79/69/91/563796991.db2.gz CEMSLSKAQYHSQB-GOSISDBHSA-N 1 0 344.430 3.930 50 0 EHAARO COc1ccc2nc(C(=O)Nc3ccccc3C[NH+](C)C)ccc2c1 ZINC000024643969 563873867 /nfs/dbraw/zinc/87/38/67/563873867.db2.gz SEYKKXBOIAPONA-UHFFFAOYSA-N 1 0 335.407 3.557 50 0 EHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000027054984 563894571 /nfs/dbraw/zinc/89/45/71/563894571.db2.gz PKSZPQWPKGDGSB-KRWDZBQOSA-N 1 0 328.412 3.790 50 0 EHAARO CC(=O)Nc1ccc(CNC[C@@H](C(C)C)[NH+]2CCCCCC2)cc1 ZINC000030664854 563910235 /nfs/dbraw/zinc/91/02/35/563910235.db2.gz FAYFRIUCGPXPAQ-FQEVSTJZSA-N 1 0 331.504 3.635 50 0 EHAARO Cc1csc2c1ncn(CC[C@@H]1CCCC[N@@H+]1C1CCCC1)c2=O ZINC000032580934 563914004 /nfs/dbraw/zinc/91/40/04/563914004.db2.gz BEVTTYDCKZYULS-INIZCTEOSA-N 1 0 345.512 3.954 50 0 EHAARO COc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccc(F)cc3)c2c1 ZINC000033018729 563914725 /nfs/dbraw/zinc/91/47/25/563914725.db2.gz ZWWHKYZYZUZBJN-UHFFFAOYSA-N 1 0 327.355 3.573 50 0 EHAARO Cc1cc(C(=O)NCCC[NH+]2CCCCCC2)c2ccccc2n1 ZINC000032961430 563916920 /nfs/dbraw/zinc/91/69/20/563916920.db2.gz QHZRWQJLHDPSTN-UHFFFAOYSA-N 1 0 325.456 3.539 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000269239519 563920605 /nfs/dbraw/zinc/92/06/05/563920605.db2.gz CGOFZMUMEOHHOW-KTQGLZRJSA-N 1 0 341.282 3.683 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000269263436 563920718 /nfs/dbraw/zinc/92/07/18/563920718.db2.gz KAZFBJCDLHBSKX-XCCSTKFXSA-N 1 0 341.282 3.683 50 0 EHAARO CC(=O)Nc1ccc2c(C[NH2+][C@@H](C)c3ccccc3)cc(=O)oc2c1 ZINC000033040178 563933180 /nfs/dbraw/zinc/93/31/80/563933180.db2.gz DRBXGWKVEYGBJR-ZDUSSCGKSA-N 1 0 336.391 3.602 50 0 EHAARO Cc1cccc2cc(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)oc21 ZINC000058393319 563944714 /nfs/dbraw/zinc/94/47/14/563944714.db2.gz VUDCKOSECNTMHF-HNNXBMFYSA-N 1 0 328.456 3.983 50 0 EHAARO Cc1ccccc1-c1ncc(C[NH2+]CCn2nnc3ccccc32)s1 ZINC000065404361 563959995 /nfs/dbraw/zinc/95/99/95/563959995.db2.gz GQAJIRFRSZXFTR-UHFFFAOYSA-N 1 0 349.463 3.653 50 0 EHAARO CCN(Cc1ccccc1)C(=O)CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000065455827 563961021 /nfs/dbraw/zinc/96/10/21/563961021.db2.gz BSHLAEORTRDTCQ-FQEVSTJZSA-N 1 0 337.467 3.657 50 0 EHAARO CC(=O)N1CCCC[C@H]1C1=CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000065470468 563961434 /nfs/dbraw/zinc/96/14/34/563961434.db2.gz UWAQMKBGLBSQGH-FQEVSTJZSA-N 1 0 330.447 3.667 50 0 EHAARO COc1ccc(C[N@@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)c(F)c1 ZINC000065526265 563961780 /nfs/dbraw/zinc/96/17/80/563961780.db2.gz DWUNOKIOIUAIIU-NVXWUHKLSA-N 1 0 335.444 3.555 50 0 EHAARO CSc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CO)C3)c(C)o2)cc1 ZINC000071479559 563964475 /nfs/dbraw/zinc/96/44/75/563964475.db2.gz DCADMCKJEIAFCS-CQSZACIVSA-N 1 0 332.469 3.576 50 0 EHAARO COc1ccc(F)c(F)c1-c1nccn1CC1CC[NH+](C(C)C)CC1 ZINC000071764833 563965469 /nfs/dbraw/zinc/96/54/69/563965469.db2.gz SNKWGTUPHBIBMW-UHFFFAOYSA-N 1 0 349.425 3.957 50 0 EHAARO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C3OCCO3)cc2)cc1 ZINC000097016945 563966760 /nfs/dbraw/zinc/96/67/60/563966760.db2.gz LLDVLEFAAIOMFR-OAHLLOKOSA-N 1 0 327.424 3.982 50 0 EHAARO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000097165467 563968532 /nfs/dbraw/zinc/96/85/32/563968532.db2.gz HMKYFHPCRPCEKA-ZDUSSCGKSA-N 1 0 339.867 3.544 50 0 EHAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000077286221 563968674 /nfs/dbraw/zinc/96/86/74/563968674.db2.gz HRXUQPWXZUOYKB-OAHLLOKOSA-N 1 0 339.418 3.627 50 0 EHAARO COc1ccc(Oc2cccc(CN3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c2)cc1 ZINC000077318996 563968934 /nfs/dbraw/zinc/96/89/34/563968934.db2.gz QZIQDTXJIRTDBH-LAUBAEHRSA-N 1 0 338.451 3.623 50 0 EHAARO O=C(CCCc1ccc(Cl)cc1)N1CC[NH+](CC2CCC2)CC1 ZINC000077337625 563969016 /nfs/dbraw/zinc/96/90/16/563969016.db2.gz OTPAZCFEVVQSME-UHFFFAOYSA-N 1 0 334.891 3.607 50 0 EHAARO COCCn1cncc1C[N@@H+]1CCCC[C@H]1CCc1cccs1 ZINC000077420474 563969585 /nfs/dbraw/zinc/96/95/85/563969585.db2.gz SXUVMAJINHNZNO-INIZCTEOSA-N 1 0 333.501 3.578 50 0 EHAARO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000077427835 563969608 /nfs/dbraw/zinc/96/96/08/563969608.db2.gz HIFSXRZQCGVARH-KRWDZBQOSA-N 1 0 338.854 3.846 50 0 EHAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077485418 563969914 /nfs/dbraw/zinc/96/99/14/563969914.db2.gz GYYDNINQRLIZSV-INIZCTEOSA-N 1 0 331.485 3.986 50 0 EHAARO COCC1(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)CCC1 ZINC000077488508 563969954 /nfs/dbraw/zinc/96/99/54/563969954.db2.gz VPNYCWANHONWDG-LJQANCHMSA-N 1 0 344.499 3.619 50 0 EHAARO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000077505599 563970100 /nfs/dbraw/zinc/97/01/00/563970100.db2.gz DXPVCNDRHUTVSC-INIZCTEOSA-N 1 0 336.439 3.628 50 0 EHAARO FC(F)C(F)(F)CC[N@@H+]1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082120084 563972431 /nfs/dbraw/zinc/97/24/31/563972431.db2.gz XQNZDTZBWLVYCG-ZDUSSCGKSA-N 1 0 333.373 3.763 50 0 EHAARO Cc1cc(N2CCCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc[nH+]1 ZINC000082121528 563972537 /nfs/dbraw/zinc/97/25/37/563972537.db2.gz HKNWKQIZJIRTOM-UHFFFAOYSA-N 1 0 337.467 3.866 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C)CC1 ZINC000011323894 563973477 /nfs/dbraw/zinc/97/34/77/563973477.db2.gz BNNUXNGQPGBBJA-UHFFFAOYSA-N 1 0 341.430 3.528 50 0 EHAARO CCCc1ccc(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000225568440 563974966 /nfs/dbraw/zinc/97/49/66/563974966.db2.gz AJLLTDOJUOWMMB-LJQANCHMSA-N 1 0 346.540 3.586 50 0 EHAARO CC1CC[NH+](CCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000000093705 563976624 /nfs/dbraw/zinc/97/66/24/563976624.db2.gz IYDWNKFDNYCRCU-UHFFFAOYSA-N 1 0 346.805 3.915 50 0 EHAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095743481 563977634 /nfs/dbraw/zinc/97/76/34/563977634.db2.gz KOEWZHJZHRVSCS-CYBMUJFWSA-N 1 0 330.350 3.587 50 0 EHAARO FC(F)(F)c1ccc(-n2c[n+]3c(n2)CC[C@H]3Cc2ccccc2)cc1 ZINC000096023962 563977898 /nfs/dbraw/zinc/97/78/98/563977898.db2.gz LQGWUWSAHRHEAA-KRWDZBQOSA-N 1 0 344.360 3.909 50 0 EHAARO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(Br)cc1 ZINC000095459403 563983224 /nfs/dbraw/zinc/98/32/24/563983224.db2.gz QFWYQKOGBOGTPH-IUODEOHRSA-N 1 0 340.261 3.785 50 0 EHAARO Cc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)c1 ZINC000000262106 563989720 /nfs/dbraw/zinc/98/97/20/563989720.db2.gz BKNQYHCWVYLZJY-MRXNPFEDSA-N 1 0 342.512 3.712 50 0 EHAARO C[C@H]1CCCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000000317631 563991024 /nfs/dbraw/zinc/99/10/24/563991024.db2.gz YEZGXFZZFFUAGP-SFHVURJKSA-N 1 0 328.500 3.590 50 0 EHAARO Cc1csc([C@H]2CN(Cc3ccc(F)c4cccnc34)CCO2)n1 ZINC000065463476 563998242 /nfs/dbraw/zinc/99/82/42/563998242.db2.gz DOHKOUWWMKRCDP-MRXNPFEDSA-N 1 0 343.427 3.712 50 0 EHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000061801788 564001461 /nfs/dbraw/zinc/00/14/61/564001461.db2.gz QFYJXEAVNQUNHK-HLIPFELVSA-N 1 0 344.499 3.727 50 0 EHAARO C[NH2+][C@@H](C(=O)c1ccc(Br)cc1)[C@H](OC)c1ccccc1 ZINC000061886111 564002254 /nfs/dbraw/zinc/00/22/54/564002254.db2.gz YPTXQQNKIBOVCU-DOTOQJQBSA-N 1 0 348.240 3.608 50 0 EHAARO O[C@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc2ccccc2s1 ZINC000005274986 564002328 /nfs/dbraw/zinc/00/23/28/564002328.db2.gz DXHUCYNUIKPWCU-XPTSAGLGSA-N 1 0 341.358 3.913 50 0 EHAARO CC[NH+](CC)CCCNC(=O)C[C@@](C)(CC)c1ccccc1OC ZINC000005307987 564002463 /nfs/dbraw/zinc/00/24/63/564002463.db2.gz AEXPYYLZGYXXQR-HXUWFJFHSA-N 1 0 334.504 3.601 50 0 EHAARO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000179774956 564003112 /nfs/dbraw/zinc/00/31/12/564003112.db2.gz DHBYIIMHVQBPFY-LBPRGKRZSA-N 1 0 329.831 3.934 50 0 EHAARO Cc1ccc2cc(C[NH2+]C3CCN(C(=O)c4ccoc4)CC3)ccc2n1 ZINC000189247336 564014953 /nfs/dbraw/zinc/01/49/53/564014953.db2.gz ZXUWMIWTVTYAIK-UHFFFAOYSA-N 1 0 349.434 3.531 50 0 EHAARO C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000047301930 564026106 /nfs/dbraw/zinc/02/61/06/564026106.db2.gz CGPLTZSHPYKGJB-GOSISDBHSA-N 1 0 336.479 3.819 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@H](C)c2ccccc2F)C1 ZINC000106905565 564026720 /nfs/dbraw/zinc/02/67/20/564026720.db2.gz STSGDFRHXOUETM-CVEARBPZSA-N 1 0 335.467 3.649 50 0 EHAARO C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000044891292 564027515 /nfs/dbraw/zinc/02/75/15/564027515.db2.gz REKDWOWKZCGERG-KGLIPLIRSA-N 1 0 333.457 3.538 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000048782267 564032189 /nfs/dbraw/zinc/03/21/89/564032189.db2.gz KKUMXKSLERHLRC-UHFFFAOYSA-N 1 0 346.356 3.884 50 0 EHAARO COc1ccc(C)cc1C[NH2+]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000048784947 564032262 /nfs/dbraw/zinc/03/22/62/564032262.db2.gz LEUNTHGKBMVZIP-UHFFFAOYSA-N 1 0 341.455 3.823 50 0 EHAARO COc1cccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000048784759 564032279 /nfs/dbraw/zinc/03/22/79/564032279.db2.gz GIKGMNZSODYENC-UHFFFAOYSA-N 1 0 327.428 3.515 50 0 EHAARO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(-n2ccnc2C)nc1 ZINC000048782580 564032284 /nfs/dbraw/zinc/03/22/84/564032284.db2.gz HKLFEWDIJVSSRO-UHFFFAOYSA-N 1 0 342.830 3.528 50 0 EHAARO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H](C)c2ccccc2OC)o1 ZINC000048833491 564032332 /nfs/dbraw/zinc/03/23/32/564032332.db2.gz YWIGIDPNKRLCPE-OAHLLOKOSA-N 1 0 344.455 3.963 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(F)cc1F ZINC000007945678 564034562 /nfs/dbraw/zinc/03/45/62/564034562.db2.gz NQQRTOASDVHQPR-UHFFFAOYSA-N 1 0 332.394 3.737 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1 ZINC000032772544 564036213 /nfs/dbraw/zinc/03/62/13/564036213.db2.gz WRIVNVLWSIOJFT-UHFFFAOYSA-N 1 0 335.451 3.940 50 0 EHAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000084291002 564067664 /nfs/dbraw/zinc/06/76/64/564067664.db2.gz FIYKUNPENLONRE-OAHLLOKOSA-N 1 0 345.450 3.918 50 0 EHAARO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)CC[C@H]2CCC[C@@H](C)C2)c1 ZINC000089103615 564079843 /nfs/dbraw/zinc/07/98/43/564079843.db2.gz INSWXKITTAQLFV-NVXWUHKLSA-N 1 0 345.487 3.732 50 0 EHAARO C[C@H]1C[C@H](NC(=O)c2cccc(F)c2F)CC[N@@H+]1Cc1ccccc1 ZINC000075106046 564080100 /nfs/dbraw/zinc/08/01/00/564080100.db2.gz PQTXWSZLVXTREA-GOEBONIOSA-N 1 0 344.405 3.748 50 0 EHAARO c1cc([C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)n[nH]1 ZINC000179856781 564081616 /nfs/dbraw/zinc/08/16/16/564081616.db2.gz RWNXJQBUPCWAMM-GOSISDBHSA-N 1 0 348.450 3.763 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000090406866 564084400 /nfs/dbraw/zinc/08/44/00/564084400.db2.gz ZKVNZLAHTGEAMH-GXTWGEPZSA-N 1 0 339.505 3.749 50 0 EHAARO C[C@H](Cc1ccsc1)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000090667681 564085852 /nfs/dbraw/zinc/08/58/52/564085852.db2.gz CQIMUYSRYCMGAF-CVEARBPZSA-N 1 0 329.513 3.889 50 0 EHAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000243932517 564088560 /nfs/dbraw/zinc/08/85/60/564088560.db2.gz BWSBEPRSVTVIBO-NHCUHLMSSA-N 1 0 328.500 3.924 50 0 EHAARO Cc1cc(C)c2nc(C(F)(F)F)nc(NCCC[NH+](C)C)c2c1 ZINC000001890001 564089152 /nfs/dbraw/zinc/08/91/52/564089152.db2.gz GLDMTCQUHRQAFU-UHFFFAOYSA-N 1 0 326.366 3.629 50 0 EHAARO C[NH+](C)C1(CNC(=O)C2(c3ccc(F)cc3)CCCC2)CCCC1 ZINC000089313960 564089652 /nfs/dbraw/zinc/08/96/52/564089652.db2.gz FIPSLTAJLVJHEL-UHFFFAOYSA-N 1 0 332.463 3.628 50 0 EHAARO COc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C(C)(C)C)c1OC ZINC000075584152 564089684 /nfs/dbraw/zinc/08/96/84/564089684.db2.gz JQJUMKLLRWNCIY-MRXNPFEDSA-N 1 0 343.471 3.823 50 0 EHAARO COc1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(Cl)c1 ZINC000089432698 564090571 /nfs/dbraw/zinc/09/05/71/564090571.db2.gz AVQRSXCEGMQWEE-NXHRZFHOSA-N 1 0 335.875 3.828 50 0 EHAARO Clc1cc(CN2CCN(c3ccccc3)CC2)c2c(c1)COCO2 ZINC000054313246 564093000 /nfs/dbraw/zinc/09/30/00/564093000.db2.gz SWNPDAHTEKVXPD-UHFFFAOYSA-N 1 0 344.842 3.529 50 0 EHAARO Cc1c2cccc(F)c2[nH]c1C(=O)N(C)CC[NH+]1CCCCCC1 ZINC000426412367 564093656 /nfs/dbraw/zinc/09/36/56/564093656.db2.gz JILSZLKPXYWGBQ-UHFFFAOYSA-N 1 0 331.435 3.563 50 0 EHAARO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000426526323 564094010 /nfs/dbraw/zinc/09/40/10/564094010.db2.gz XJYFCNURFQZISZ-GOSISDBHSA-N 1 0 328.843 3.879 50 0 EHAARO CO[C@]12CC[N@H+](Cc3cccc(-c4ccc(C)o4)c3)[C@H]1C[C@H](O)CC2 ZINC000426563360 564094126 /nfs/dbraw/zinc/09/41/26/564094126.db2.gz ZQILNRNLEFJRLY-HLAWJBBLSA-N 1 0 341.451 3.759 50 0 EHAARO CC(C)[NH+](CCNC(=O)c1cccc(-c2ccc(F)cn2)c1)C(C)C ZINC000426652898 564094283 /nfs/dbraw/zinc/09/42/83/564094283.db2.gz LTNVVIUCFQJWER-UHFFFAOYSA-N 1 0 343.446 3.736 50 0 EHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C)c1 ZINC000036100346 564096069 /nfs/dbraw/zinc/09/60/69/564096069.db2.gz ALIWATMIYIEILJ-LJQANCHMSA-N 1 0 337.504 3.577 50 0 EHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036100588 564096139 /nfs/dbraw/zinc/09/61/39/564096139.db2.gz XZKXVHNEJRPKMU-LJQANCHMSA-N 1 0 343.467 3.656 50 0 EHAARO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000249119873 564103642 /nfs/dbraw/zinc/10/36/42/564103642.db2.gz VVPOMHSNSMJCJW-MJGOQNOKSA-N 1 0 330.472 3.623 50 0 EHAARO CCN(CC)C(=O)c1c(C)oc2c1CN(Cc1cccc(F)c1)CC2 ZINC000065292006 564104679 /nfs/dbraw/zinc/10/46/79/564104679.db2.gz FNMSETCEYUVHMX-UHFFFAOYSA-N 1 0 344.430 3.767 50 0 EHAARO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC000170070145 564105225 /nfs/dbraw/zinc/10/52/25/564105225.db2.gz BTZLNNULIIMHLU-SFTDATJTSA-N 1 0 349.478 3.552 50 0 EHAARO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3c3cccs3)nc12 ZINC000065512930 564106731 /nfs/dbraw/zinc/10/67/31/564106731.db2.gz DWHFSIABQMYEFR-OAHLLOKOSA-N 1 0 325.437 3.610 50 0 EHAARO Cc1c(Cl)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)nc2ccccc12 ZINC000065540356 564107281 /nfs/dbraw/zinc/10/72/81/564107281.db2.gz BXLWPJROONDENE-OAHLLOKOSA-N 1 0 329.875 3.867 50 0 EHAARO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000240471586 564110078 /nfs/dbraw/zinc/11/00/78/564110078.db2.gz GCWDLELVKWRCRG-XJKSGUPXSA-N 1 0 336.476 3.743 50 0 EHAARO Cc1nn(C(C)C)c(C)c1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000071819372 564111211 /nfs/dbraw/zinc/11/12/11/564111211.db2.gz MDABNITZQAIMBE-AWEZNQCLSA-N 1 0 349.504 3.567 50 0 EHAARO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](C)Cn3ccnc3C)C2)cc1 ZINC000089735529 564113445 /nfs/dbraw/zinc/11/34/45/564113445.db2.gz VKEKHRYWWSAWLS-TXPKVOOTSA-N 1 0 327.472 3.714 50 0 EHAARO Cc1cccn2c(C[NH2+][C@H]3CCCc4c3cnn4C(C)(C)C)cnc12 ZINC000076042781 564114723 /nfs/dbraw/zinc/11/47/23/564114723.db2.gz DCRCSDHLGXXYDG-KRWDZBQOSA-N 1 0 337.471 3.761 50 0 EHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000076057412 564115069 /nfs/dbraw/zinc/11/50/69/564115069.db2.gz ZLWADQUDGPXTNT-XJKSGUPXSA-N 1 0 342.405 3.688 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948887 564115780 /nfs/dbraw/zinc/11/57/80/564115780.db2.gz QAIKWBOVMKUEQL-RHSMWYFYSA-N 1 0 340.870 3.852 50 0 EHAARO CC(C)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000252483292 564119237 /nfs/dbraw/zinc/11/92/37/564119237.db2.gz DYORCRRVQVJTGW-HNNXBMFYSA-N 1 0 341.455 3.548 50 0 EHAARO CC(C)N(C)c1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000252483293 564119258 /nfs/dbraw/zinc/11/92/58/564119258.db2.gz DYORCRRVQVJTGW-OAHLLOKOSA-N 1 0 341.455 3.548 50 0 EHAARO Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000252486390 564119374 /nfs/dbraw/zinc/11/93/74/564119374.db2.gz JPYXSAZOAMGUHZ-FGTMMUONSA-N 1 0 330.472 3.592 50 0 EHAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(OC2CCOCC2)cc1 ZINC000252487504 564119384 /nfs/dbraw/zinc/11/93/84/564119384.db2.gz YOMBXNRHEQVBRK-PSAKCFHXSA-N 1 0 345.483 3.709 50 0 EHAARO C[NH+](C)Cc1ccc(CNc2ncnc3c(F)cccc23)cc1F ZINC000252486815 564119407 /nfs/dbraw/zinc/11/94/07/564119407.db2.gz HOZGXBILFODKHJ-UHFFFAOYSA-N 1 0 328.366 3.582 50 0 EHAARO C[NH+](C)CCCNC(=O)c1ccccc1SCc1ccccc1 ZINC000007684720 564121906 /nfs/dbraw/zinc/12/19/06/564121906.db2.gz IHPJAYWBFCHBRJ-UHFFFAOYSA-N 1 0 328.481 3.660 50 0 EHAARO Cc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)c(-n2cc(Cl)cn2)n1 ZINC000194967878 564122626 /nfs/dbraw/zinc/12/26/26/564122626.db2.gz NRKJDZPFMXWIFF-ZDUSSCGKSA-N 1 0 342.830 3.786 50 0 EHAARO CC(=O)NC1CCC([NH2+][C@@H](C)c2oc3ccc(F)cc3c2C)CC1 ZINC000195565153 564123857 /nfs/dbraw/zinc/12/38/57/564123857.db2.gz VTGMROYDPGKZDT-JQRITLKVSA-N 1 0 332.419 3.978 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)ccc1O ZINC000012150889 564128973 /nfs/dbraw/zinc/12/89/73/564128973.db2.gz BRQXFQASEVQZED-INIZCTEOSA-N 1 0 343.471 3.702 50 0 EHAARO C[NH+](C)C[C@@H](CNC(=O)C(C1CC1)C1CC1)c1ccc(Cl)cc1 ZINC000253417511 564130812 /nfs/dbraw/zinc/13/08/12/564130812.db2.gz KNUVJTVHZPKNHT-MRXNPFEDSA-N 1 0 334.891 3.538 50 0 EHAARO C[NH+](C)[C@@H]1CCCN(C(=O)CC(C)(C)CC(=O)c2ccccc2)CC1 ZINC000253431009 564131769 /nfs/dbraw/zinc/13/17/69/564131769.db2.gz NEPYCVHQTJGODG-GOSISDBHSA-N 1 0 344.499 3.618 50 0 EHAARO COCc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C)ccc1F ZINC000095422703 564140070 /nfs/dbraw/zinc/14/00/70/564140070.db2.gz MAKAGAWUCAFKLZ-OAHLLOKOSA-N 1 0 344.430 3.787 50 0 EHAARO Cc1ccc(F)c(NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000095463320 564140916 /nfs/dbraw/zinc/14/09/16/564140916.db2.gz ABSNATUIJFEMAT-OAHLLOKOSA-N 1 0 329.419 3.776 50 0 EHAARO Cc1csc([C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C2CC2)n1 ZINC000095988366 564144074 /nfs/dbraw/zinc/14/40/74/564144074.db2.gz WJXHXKZNNIGAKL-KGLIPLIRSA-N 1 0 337.489 3.502 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ccccc2Cl)o1 ZINC000096183885 564145889 /nfs/dbraw/zinc/14/58/89/564145889.db2.gz OHLXGJJLGSSXIC-UHFFFAOYSA-N 1 0 336.819 3.797 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)Nc2c[nH+]ccc2-n2cc(C)cn2)c1 ZINC000097038786 564149248 /nfs/dbraw/zinc/14/92/48/564149248.db2.gz VFHJNLCAHGPMJQ-CQSZACIVSA-N 1 0 335.411 3.707 50 0 EHAARO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)N1CCc2ccccc2C1 ZINC000002632782 564151488 /nfs/dbraw/zinc/15/14/88/564151488.db2.gz LFZMHEBWQCNSGH-UHFFFAOYSA-N 1 0 348.490 3.526 50 0 EHAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000131649551 564152291 /nfs/dbraw/zinc/15/22/91/564152291.db2.gz OMBZCBLTYQDFAV-UHFFFAOYSA-N 1 0 339.483 3.896 50 0 EHAARO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2ncccc2c1 ZINC000131719353 564152626 /nfs/dbraw/zinc/15/26/26/564152626.db2.gz SCMRAORGUZROAL-UHFFFAOYSA-N 1 0 347.462 3.959 50 0 EHAARO Cc1ccc2c(C[N@H+](C)CCOc3ccccc3)cc(=O)oc2c1C ZINC000057463242 564154392 /nfs/dbraw/zinc/15/43/92/564154392.db2.gz STFGBQVVFRIJSL-UHFFFAOYSA-N 1 0 337.419 3.921 50 0 EHAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(OC)cc2)CC1 ZINC000003060211 564154853 /nfs/dbraw/zinc/15/48/53/564154853.db2.gz AHRCLBDOMXQPIL-AWEZNQCLSA-N 1 0 335.517 3.587 50 0 EHAARO CN(C)C1(c2nnnn2C(c2ccccc2)c2ccccc2)CCCC1 ZINC000004257116 564161288 /nfs/dbraw/zinc/16/12/88/564161288.db2.gz ABCCPHBDTUFTJV-UHFFFAOYSA-N 1 0 347.466 3.642 50 0 EHAARO CC1CCC([N@H+](C)Cc2cc(=O)n3c4c(sc3n2)CCCC4)CC1 ZINC000007987229 564161856 /nfs/dbraw/zinc/16/18/56/564161856.db2.gz WJWOVNGRLIBOJY-UHFFFAOYSA-N 1 0 345.512 3.645 50 0 EHAARO CCCCc1nc(C2([NH+]3CCCC3)CCCC2)n(-c2ccncc2)n1 ZINC000670469509 564163335 /nfs/dbraw/zinc/16/33/35/564163335.db2.gz IPRBJNPTMJXZRF-UHFFFAOYSA-N 1 0 339.487 3.870 50 0 EHAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cc1OC ZINC000008710255 564166613 /nfs/dbraw/zinc/16/66/13/564166613.db2.gz PCPWOPZWQNKQCW-UHFFFAOYSA-N 1 0 337.423 3.692 50 0 EHAARO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000069419113 564169350 /nfs/dbraw/zinc/16/93/50/564169350.db2.gz KCSMPVJBWBEMBK-UHFFFAOYSA-N 1 0 348.450 3.764 50 0 EHAARO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)/C=C/c2ccco2)CC1 ZINC000069435519 564169467 /nfs/dbraw/zinc/16/94/67/564169467.db2.gz LOSXBGMQJUPWNH-CMDGGOBGSA-N 1 0 342.414 3.555 50 0 EHAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)c1cc2ccccc2s1 ZINC000069616682 564170876 /nfs/dbraw/zinc/17/08/76/564170876.db2.gz SZYXLLUYHDONDJ-UHFFFAOYSA-N 1 0 339.464 3.500 50 0 EHAARO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)Nc1ccccc1 ZINC000069631849 564171118 /nfs/dbraw/zinc/17/11/18/564171118.db2.gz MYJKILJLJNUCCV-FQEVSTJZSA-N 1 0 349.482 3.708 50 0 EHAARO CCOc1ccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1OC ZINC000069739819 564171861 /nfs/dbraw/zinc/17/18/61/564171861.db2.gz JAPOFEJLBSYVGE-UHFFFAOYSA-N 1 0 342.439 3.716 50 0 EHAARO O=C(Nc1c(F)cccc1F)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000069874255 564172632 /nfs/dbraw/zinc/17/26/32/564172632.db2.gz MINIYFTXWZAODZ-CQSZACIVSA-N 1 0 337.414 3.837 50 0 EHAARO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000071873511 564176204 /nfs/dbraw/zinc/17/62/04/564176204.db2.gz TVYKNFKYJDMDQS-KRWDZBQOSA-N 1 0 344.499 3.505 50 0 EHAARO O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000033997619 568415178 /nfs/dbraw/zinc/41/51/78/568415178.db2.gz IXUYJWPVHDEAHX-UHFFFAOYSA-N 1 0 341.842 3.820 50 0 EHAARO C[NH+](C)CCCOc1ccc2c(c1)Sc1ccccc1C[C@H]2O ZINC000252502571 568419087 /nfs/dbraw/zinc/41/90/87/568419087.db2.gz UQYFXIWGFHTVMG-QGZVFWFLSA-N 1 0 329.465 3.758 50 0 EHAARO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)CC1 ZINC000169789062 1032652073 /nfs/dbraw/zinc/65/20/73/1032652073.db2.gz GBTQWPNQWBAUJW-FQEVSTJZSA-N 1 0 344.499 3.554 50 0 EHAARO COc1cc(/C=C\c2ccc3ccccc3[n+]2C)ccc1OC(C)=O ZINC000096569258 1032046717 /nfs/dbraw/zinc/04/67/17/1032046717.db2.gz NSQKBMVTVVFIKZ-FLIBITNWSA-N 1 0 334.395 3.769 50 0 EHAARO O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177683888 1035321476 /nfs/dbraw/zinc/32/14/76/1035321476.db2.gz IHOQRKKTULLTCP-INIZCTEOSA-N 1 0 339.439 3.935 50 0 EHAARO CCCNC(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257194621 1038557374 /nfs/dbraw/zinc/55/73/74/1038557374.db2.gz UJWWVEXGMTVNRI-SFHVURJKSA-N 1 0 329.488 3.654 50 0 EHAARO Cc1oc2ccccc2c1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000185091398 1039008881 /nfs/dbraw/zinc/00/88/81/1039008881.db2.gz UIYLUIKXPFJVDE-UHFFFAOYSA-N 1 0 334.419 3.529 50 0 EHAARO CCCOc1c(C[N@@H+]2CC[C@](CO)(CCC)C2)cccc1OCC ZINC000809791104 1040143681 /nfs/dbraw/zinc/14/36/81/1040143681.db2.gz UELZZOPQSNWHRU-HXUWFJFHSA-N 1 0 335.488 3.859 50 0 EHAARO C[NH+]1CCC(NC(=S)Nc2ccccc2-c2cccs2)CC1 ZINC000063146121 1128861278 /nfs/dbraw/zinc/86/12/78/1128861278.db2.gz JJYMWBLAQAMGPJ-UHFFFAOYSA-N 1 0 331.510 3.796 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)/C=C\c1cccc(Cl)c1)c1ccccc1 ZINC000033689703 1122980066 /nfs/dbraw/zinc/98/00/66/1122980066.db2.gz FEEBVMWXLMFHPL-JYBLJSLWSA-N 1 0 328.843 3.772 50 0 EHAARO CCC[C@@H](CN1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000180228375 1123965890 /nfs/dbraw/zinc/96/58/90/1123965890.db2.gz WRXULNOPDJQHSM-NRFANRHFSA-N 1 0 330.516 3.615 50 0 EHAARO O=C1N(CC2CC2)CCC[C@]12CC[N@H+](Cc1cc3ccccc3o1)C2 ZINC000012763624 1129460109 /nfs/dbraw/zinc/46/01/09/1129460109.db2.gz JLOUNMNXJGAAJD-OAQYLSRUSA-N 1 0 338.451 3.657 50 0 EHAARO CSCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000012302732 1129507035 /nfs/dbraw/zinc/50/70/35/1129507035.db2.gz DWIPVBKOCVTIQB-FQEVSTJZSA-N 1 0 346.540 3.563 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[NH2+]CC2(C(F)(F)F)CCC2)cc1 ZINC000353088321 1129914733 /nfs/dbraw/zinc/91/47/33/1129914733.db2.gz PMKJVAOSACQOLX-UHFFFAOYSA-N 1 0 339.361 3.908 50 0 EHAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1)NC1CC1 ZINC000012457655 1129945980 /nfs/dbraw/zinc/94/59/80/1129945980.db2.gz FHDFORHRDPJFHC-MRXNPFEDSA-N 1 0 337.467 3.506 50 0 EHAARO COc1cc(F)c(C(=O)Nc2ccccc2C[NH+]2CCCC2)c(F)c1 ZINC000824557966 1131212078 /nfs/dbraw/zinc/21/20/78/1131212078.db2.gz GJQJYWNJZCCNOL-UHFFFAOYSA-N 1 0 346.377 3.822 50 0 EHAARO C[C@@H](Cc1cccs1)[NH2+]CCC(=O)N1CCCc2ccccc21 ZINC000065403744 1132198672 /nfs/dbraw/zinc/19/86/72/1132198672.db2.gz SLLUZCKLSAEOFJ-HNNXBMFYSA-N 1 0 328.481 3.638 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)Cc2ccsc2)CC1 ZINC000581787967 1132356678 /nfs/dbraw/zinc/35/66/78/1132356678.db2.gz MLCOUNGCQQZKQS-GOSISDBHSA-N 1 0 334.529 3.794 50 0 EHAARO Cc1c[nH+]c(CC2CCN(C(=O)C3CCCC3)CC2)n1CC1CC1 ZINC000581816488 1132372097 /nfs/dbraw/zinc/37/20/97/1132372097.db2.gz FDXDTXHXYVDWMW-UHFFFAOYSA-N 1 0 329.488 3.573 50 0 EHAARO O=C(Cc1c[nH]c2ccccc12)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000047452186 1133734782 /nfs/dbraw/zinc/73/47/82/1133734782.db2.gz ZUJGEELLRMIDCM-UHFFFAOYSA-N 1 0 333.435 3.945 50 0 EHAARO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000585081465 1136966924 /nfs/dbraw/zinc/96/69/24/1136966924.db2.gz TWJUGKQAUKVFMJ-INIZCTEOSA-N 1 0 331.847 3.876 50 0 EHAARO FC(F)Oc1ccccc1Cc1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000585084025 1136972053 /nfs/dbraw/zinc/97/20/53/1136972053.db2.gz DREPMTORLLJUSV-UHFFFAOYSA-N 1 0 349.381 3.604 50 0 EHAARO CC(C)c1cccc(O[C@H](C)C(=O)Nc2cccc3c2C[NH2+]CC3)c1 ZINC000585088536 1136989218 /nfs/dbraw/zinc/98/92/18/1136989218.db2.gz FYPHERZDSSVFRV-OAHLLOKOSA-N 1 0 338.451 3.862 50 0 EHAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000585120927 1137012508 /nfs/dbraw/zinc/01/25/08/1137012508.db2.gz XKSFAMJZTQWFQX-HXUWFJFHSA-N 1 0 337.467 3.561 50 0 EHAARO O[C@H](c1cccs1)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000952970780 1137484261 /nfs/dbraw/zinc/48/42/61/1137484261.db2.gz QFSKGVGYNMICOJ-IBGZPJMESA-N 1 0 329.465 3.629 50 0 EHAARO O=c1[nH]c2ccccc2cc1CNCC1([NH+]2CCCCC2)CCCC1 ZINC000952974818 1137484576 /nfs/dbraw/zinc/48/45/76/1137484576.db2.gz NKPZXSDFSXTODH-UHFFFAOYSA-N 1 0 339.483 3.829 50 0 EHAARO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000104190890 1139198863 /nfs/dbraw/zinc/19/88/63/1139198863.db2.gz RRBUVFPJJVRAGR-DOMSAVFPSA-N 1 0 339.483 3.808 50 0 EHAARO c1sc(Cc2ccccc2)nc1CN1CCC([NH+]2CCCC2)CC1 ZINC000051952967 214110400 /nfs/dbraw/zinc/11/04/00/214110400.db2.gz WEOFTDKPLJSJEO-UHFFFAOYSA-N 1 0 341.524 3.794 50 0 EHAARO Cc1nc(C)c(CN2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)nc1C ZINC000055100193 214273334 /nfs/dbraw/zinc/27/33/34/214273334.db2.gz IZQDRXMFMLNNNT-NRFANRHFSA-N 1 0 344.547 3.736 50 0 EHAARO CC[C@]1(C)C[C@](CC(=O)O[C@@H](C)C[NH+](C)C)(c2ccccc2)CCO1 ZINC000004696774 210250512 /nfs/dbraw/zinc/25/05/12/210250512.db2.gz BQVOKFAZPLBWCA-WMQCIHAUSA-N 1 0 347.499 3.787 50 0 EHAARO CCC[N@H+](Cc1cccnc1)Cc1cc(Cn2cncn2)c(C)cc1C ZINC000055108710 214274534 /nfs/dbraw/zinc/27/45/34/214274534.db2.gz BOPXZJUXKUZPNU-UHFFFAOYSA-N 1 0 349.482 3.750 50 0 EHAARO CCn1nc(C)c(C[N@H+](CC)Cc2cccn2-c2nccs2)c1C ZINC000055119095 214276873 /nfs/dbraw/zinc/27/68/73/214276873.db2.gz QZASTZQDYHIKJS-UHFFFAOYSA-N 1 0 343.500 3.789 50 0 EHAARO FC(F)(F)CCC[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055211670 214289989 /nfs/dbraw/zinc/28/99/89/214289989.db2.gz NBDXEDPYQCSIJN-UHFFFAOYSA-N 1 0 330.398 3.915 50 0 EHAARO COCc1ccccc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058282000 214526832 /nfs/dbraw/zinc/52/68/32/214526832.db2.gz RBLKYJGEXBNYFJ-UHFFFAOYSA-N 1 0 344.499 3.608 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)o1 ZINC000004591849 210229425 /nfs/dbraw/zinc/22/94/25/210229425.db2.gz MQTXEVHMIVPBTK-INIZCTEOSA-N 1 0 326.440 3.677 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccccc2)N3)C1 ZINC000004556306 210220578 /nfs/dbraw/zinc/22/05/78/210220578.db2.gz RPLDBQYEBPYTEM-HLRDLLSLSA-N 1 0 339.464 3.896 50 0 EHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccco2)N3)C1 ZINC000004554037 210220325 /nfs/dbraw/zinc/22/03/25/210220325.db2.gz FRQYQOYDXZSDJY-NFAHFFEMSA-N 1 0 343.452 3.877 50 0 EHAARO CC(C)(C)n1cc(C2=CCN(CC[NH+]3CCCCCC3)CC2)cn1 ZINC000065403517 214893282 /nfs/dbraw/zinc/89/32/82/214893282.db2.gz NEVJBDUURDAAHR-UHFFFAOYSA-N 1 0 330.520 3.603 50 0 EHAARO CCc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000003812136 210076533 /nfs/dbraw/zinc/07/65/33/210076533.db2.gz VFDHMSXXELYMRW-ICSRJNTNSA-N 1 0 325.452 3.656 50 0 investigational EHAARO C[C@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003616630 210067162 /nfs/dbraw/zinc/06/71/62/210067162.db2.gz UYNVMODNBIQBMV-IIBYNOLFSA-N 1 0 325.452 3.769 50 0 world EHAARO CCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CC1CC1 ZINC000003391940 210025441 /nfs/dbraw/zinc/02/54/41/210025441.db2.gz ZKUOWHKLZPRNRQ-ZDUSSCGKSA-N 1 0 332.271 3.855 50 0 EHAARO CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000067641285 215170227 /nfs/dbraw/zinc/17/02/27/215170227.db2.gz OZKYWZONHYPBCV-INIZCTEOSA-N 1 0 326.440 3.685 50 0 EHAARO Cc1ccsc1C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2)C1 ZINC000067692206 215187333 /nfs/dbraw/zinc/18/73/33/215187333.db2.gz ACVQGDUDLDBOMC-OAHLLOKOSA-N 1 0 329.469 3.700 50 0 EHAARO COCCC[N@@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067755034 215203636 /nfs/dbraw/zinc/20/36/36/215203636.db2.gz ROZHXDFMJBASRX-UHFFFAOYSA-N 1 0 333.453 3.660 50 0 EHAARO Cc1nnc(-c2ccccc2-c2cc(C)cc3c2O[C@H](C[NH3+])C3)s1 ZINC000067725737 215196664 /nfs/dbraw/zinc/19/66/64/215196664.db2.gz KWGAQYABSUWQKE-AWEZNQCLSA-N 1 0 337.448 3.751 50 0 EHAARO O=C(Nc1ccccc1-c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000067755858 215204136 /nfs/dbraw/zinc/20/41/36/215204136.db2.gz RYIFQJWFWRMPSF-UHFFFAOYSA-N 1 0 335.451 3.961 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000067805376 215218267 /nfs/dbraw/zinc/21/82/67/215218267.db2.gz WKHAERVHZBHWIW-GOSISDBHSA-N 1 0 339.483 3.923 50 0 EHAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(Br)cc1C ZINC000002822669 209923022 /nfs/dbraw/zinc/92/30/22/209923022.db2.gz VTMSWKGMOQBMIO-CYBMUJFWSA-N 1 0 330.266 3.541 50 0 EHAARO O=C(c1cc(C2CC2)nc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000068365316 215302176 /nfs/dbraw/zinc/30/21/76/215302176.db2.gz GJAYEFATXZYLLU-UHFFFAOYSA-N 1 0 349.478 3.813 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNCc2cn(-c3ccccc3)nc2C(C)C)C1 ZINC000069160193 215366168 /nfs/dbraw/zinc/36/61/68/215366168.db2.gz GXIGTLQIEYBOEK-SFHVURJKSA-N 1 0 340.515 3.817 50 0 EHAARO CC(C)[C@@H](C)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 ZINC000055131682 535166986 /nfs/dbraw/zinc/16/69/86/535166986.db2.gz XLGRDSGJCNCQGY-DLBZAZTESA-N 1 0 343.515 3.805 50 0 EHAARO Cn1ccnc1COc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000040135426 213271613 /nfs/dbraw/zinc/27/16/13/213271613.db2.gz WTDWNXVQBNQWLF-UHFFFAOYSA-N 1 0 339.414 3.770 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000039975661 213248014 /nfs/dbraw/zinc/24/80/14/213248014.db2.gz CZBULKRVVZUXBY-LJQANCHMSA-N 1 0 328.431 3.568 50 0 EHAARO Cc1ccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)cc1C ZINC000039541206 213239555 /nfs/dbraw/zinc/23/95/55/213239555.db2.gz RQPNTAAAEBXMNY-OAQYLSRUSA-N 1 0 330.516 3.505 50 0 EHAARO O=C(CCc1ccsc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000039510578 213238194 /nfs/dbraw/zinc/23/81/94/213238194.db2.gz HBKOHTJLERQHQT-KRWDZBQOSA-N 1 0 334.529 3.984 50 0 EHAARO O=C(NCC[NH+]1CCC(CCc2ccccc2)CC1)c1cccs1 ZINC000038792468 213227010 /nfs/dbraw/zinc/22/70/10/213227010.db2.gz DXEMBPUUXVPTDJ-UHFFFAOYSA-N 1 0 342.508 3.823 50 0 EHAARO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cc(Br)cs1 ZINC000037156811 213134665 /nfs/dbraw/zinc/13/46/65/213134665.db2.gz PCPMBCUUHNQDFV-ZDUSSCGKSA-N 1 0 342.306 3.912 50 0 EHAARO CC(C)=CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000071278805 215749827 /nfs/dbraw/zinc/74/98/27/215749827.db2.gz PUADNQDAFCEPRI-QGZVFWFLSA-N 1 0 337.467 3.529 50 0 EHAARO CC(C)c1nnc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)s1 ZINC000071905581 215948406 /nfs/dbraw/zinc/94/84/06/215948406.db2.gz WTHPBIVIGSEBGO-UHFFFAOYSA-N 1 0 344.440 3.722 50 0 EHAARO COc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000072076169 216003671 /nfs/dbraw/zinc/00/36/71/216003671.db2.gz DLAGRUXDXOEALG-INIZCTEOSA-N 1 0 334.460 3.574 50 0 EHAARO c1cn(-c2ccc(C[N@@H+]3CCCN(c4ccccc4)CC3)cc2)cn1 ZINC000072125600 216016557 /nfs/dbraw/zinc/01/65/57/216016557.db2.gz LFRAKDHVIGCGKN-UHFFFAOYSA-N 1 0 332.451 3.585 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](COc3cccc(OC)c3)C2)c(C)n1 ZINC000072150940 216040010 /nfs/dbraw/zinc/04/00/10/216040010.db2.gz XGNWUIFTZLANPH-KRWDZBQOSA-N 1 0 343.471 3.511 50 0 EHAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1cncn1C1CCCCC1 ZINC000072151061 216040098 /nfs/dbraw/zinc/04/00/98/216040098.db2.gz OTKAOINAZXBSSL-QGZVFWFLSA-N 1 0 333.476 3.696 50 0 EHAARO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@@H](C)c1cccnc1 ZINC000072286303 216118182 /nfs/dbraw/zinc/11/81/82/216118182.db2.gz GYOKXRYUFMEONL-WMLDXEAASA-N 1 0 346.500 3.539 50 0 EHAARO CC(C)c1nc([C@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)no1 ZINC000072299824 216138122 /nfs/dbraw/zinc/13/81/22/216138122.db2.gz VYYNQIYXPRTONB-KRWDZBQOSA-N 1 0 341.455 3.550 50 0 EHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC000000202226 209481136 /nfs/dbraw/zinc/48/11/36/209481136.db2.gz RCTGGCWDQBJYOW-INIZCTEOSA-N 1 0 327.472 3.557 50 0 EHAARO CN(c1nc(-c2ccccc2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000000132601 209440308 /nfs/dbraw/zinc/44/03/08/209440308.db2.gz SUWUZUZIVDBESQ-UHFFFAOYSA-N 1 0 332.451 3.827 50 0 EHAARO Cc1ccccc1[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000072419377 216207908 /nfs/dbraw/zinc/20/79/08/216207908.db2.gz JUGTWVLCAMJDGD-LJQANCHMSA-N 1 0 325.452 3.746 50 0 EHAARO Cc1cc(F)ccc1C[NH+]1CCC2(CN(CCC(C)C)C(=O)O2)CC1 ZINC000072422892 216211442 /nfs/dbraw/zinc/21/14/42/216211442.db2.gz RHVHFHVTPRRGCF-UHFFFAOYSA-N 1 0 348.462 3.967 50 0 EHAARO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000072453773 216241461 /nfs/dbraw/zinc/24/14/61/216241461.db2.gz YVVNKRCQZMRRGN-MRXNPFEDSA-N 1 0 345.450 3.899 50 0 EHAARO Cc1cc(C)c(C(=O)NCC2CC[NH+](C3CCCC3)CC2)c(C)c1 ZINC000023127973 212352690 /nfs/dbraw/zinc/35/26/90/212352690.db2.gz KHYBRPKJAPHWGA-UHFFFAOYSA-N 1 0 328.500 3.996 50 0 EHAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1cnn(-c2ccccc2Cl)c1 ZINC000215337831 241121129 /nfs/dbraw/zinc/12/11/29/241121129.db2.gz IKYDXLHPEXXHOR-HNNXBMFYSA-N 1 0 340.858 3.984 50 0 EHAARO Cc1ccc2nc(C)c(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)cc2c1 ZINC000215833007 241149505 /nfs/dbraw/zinc/14/95/05/241149505.db2.gz UQHIBCXQULGCGA-OAHLLOKOSA-N 1 0 337.467 3.550 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000215830007 241151583 /nfs/dbraw/zinc/15/15/83/241151583.db2.gz BFVMJXCCSYMPKN-KRWDZBQOSA-N 1 0 349.482 3.807 50 0 EHAARO Cc1nn(CCO)c(C)c1C[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000216307487 241180991 /nfs/dbraw/zinc/18/09/91/241180991.db2.gz WGFMPSWLZHGEAC-KRWDZBQOSA-N 1 0 347.890 3.525 50 0 EHAARO COC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC000215534043 241132369 /nfs/dbraw/zinc/13/23/69/241132369.db2.gz MHAWKVWLYWFMSZ-LJQANCHMSA-N 1 0 341.451 3.743 50 0 EHAARO COc1cc2c(cc1OC)[C@H](c1cccc(Br)c1)[NH2+]CC2 ZINC000022018350 212271041 /nfs/dbraw/zinc/27/10/41/212271041.db2.gz SFBPSVMVHHKKOC-KRWDZBQOSA-N 1 0 348.240 3.701 50 0 EHAARO Cc1ccccc1[C@H]([NH2+]C1CCN(C(N)=O)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000221896780 241481753 /nfs/dbraw/zinc/48/17/53/241481753.db2.gz MITVSPHZALDAAN-WRWLIDTKSA-N 1 0 343.515 3.995 50 0 EHAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1cccc2c1CCCC2 ZINC000021783211 212249254 /nfs/dbraw/zinc/24/92/54/212249254.db2.gz QUAAEOBGHBTUFG-UHFFFAOYSA-N 1 0 349.478 3.745 50 0 EHAARO Cc1c(Cl)cccc1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000021783215 212249000 /nfs/dbraw/zinc/24/90/00/212249000.db2.gz WBMFPQZHNRHVGU-UHFFFAOYSA-N 1 0 343.858 3.828 50 0 EHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000021720751 212243918 /nfs/dbraw/zinc/24/39/18/212243918.db2.gz FEYFGXAIGUQFHD-INIZCTEOSA-N 1 0 328.412 3.669 50 0 EHAARO O=C(Nc1ncc(-c2ccccc2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229778381 242198078 /nfs/dbraw/zinc/19/80/78/242198078.db2.gz PUFDEOFFLAFSNN-CABCVRRESA-N 1 0 342.468 3.558 50 0 EHAARO Cc1sc(-n2cccc2)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000229726491 242194874 /nfs/dbraw/zinc/19/48/74/242194874.db2.gz WHNHIJAKTVYMAQ-CVEARBPZSA-N 1 0 343.496 3.512 50 0 EHAARO CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000021148685 212210757 /nfs/dbraw/zinc/21/07/57/212210757.db2.gz BHBNXKDJDSNADO-LJQANCHMSA-N 1 0 344.499 3.954 50 0 EHAARO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(SC(F)F)cc1 ZINC000241447030 242992725 /nfs/dbraw/zinc/99/27/25/242992725.db2.gz NQPCELMDANBAIT-GFCCVEGCSA-N 1 0 330.444 3.852 50 0 EHAARO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1 ZINC000241720950 243002160 /nfs/dbraw/zinc/00/21/60/243002160.db2.gz QTPHZYPCBNFQIZ-NVXWUHKLSA-N 1 0 328.481 3.951 50 0 EHAARO Cc1ccc(NC(=O)CC[N@H+](C)CC[C@@H](O)c2ccccc2)cc1C ZINC000243919543 243032636 /nfs/dbraw/zinc/03/26/36/243032636.db2.gz BOSKMJHZOMWBCT-HXUWFJFHSA-N 1 0 340.467 3.688 50 0 EHAARO CCN(C(=O)CC[N@@H+]1CCC[C@@H]1c1ccccn1)c1ccccc1C ZINC000244659420 243051973 /nfs/dbraw/zinc/05/19/73/243051973.db2.gz HCGMGLDJQAWGTM-HXUWFJFHSA-N 1 0 337.467 3.970 50 0 EHAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000020599671 212151118 /nfs/dbraw/zinc/15/11/18/212151118.db2.gz YRLKUDLYXVNJQT-GOSISDBHSA-N 1 0 341.480 3.580 50 0 EHAARO Cc1ccc2c(CN3CCC([NH+]4CCCCC4)CC3)cc(=O)oc2c1 ZINC000020407820 212125692 /nfs/dbraw/zinc/12/56/92/212125692.db2.gz RAAPVUXKSNRYLQ-UHFFFAOYSA-N 1 0 340.467 3.552 50 0 EHAARO O[C@@](C[NH2+]Cc1ccc(F)cc1)(c1ccccc1)c1ccc(F)cc1 ZINC000020365992 212122388 /nfs/dbraw/zinc/12/23/88/212122388.db2.gz RSFCFZRQLAZGQT-NRFANRHFSA-N 1 0 339.385 3.991 50 0 EHAARO OCC[C@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1CC1CCCCC1 ZINC000020255646 212114400 /nfs/dbraw/zinc/11/44/00/212114400.db2.gz GOFVKQIQHMNQQN-CGIBVWHJSA-N 1 0 342.527 3.649 50 0 EHAARO COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019363254 212021160 /nfs/dbraw/zinc/02/11/60/212021160.db2.gz UOMBRGFRARDBQJ-YADHBBJMSA-N 1 0 336.479 3.663 50 0 EHAARO COc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019363255 212021053 /nfs/dbraw/zinc/02/10/53/212021053.db2.gz UOMBRGFRARDBQJ-VXKWHMMOSA-N 1 0 336.479 3.663 50 0 EHAARO Cc1cccc(OC(C)(C)C(=O)N(C)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000019144746 212001827 /nfs/dbraw/zinc/00/18/27/212001827.db2.gz WAQQTNSCSXQVCD-UHFFFAOYSA-N 1 0 346.515 3.920 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc2ncccc21 ZINC000014315551 211731198 /nfs/dbraw/zinc/73/11/98/211731198.db2.gz HDFSKJQGXBMIBH-UHFFFAOYSA-N 1 0 345.446 3.761 50 0 EHAARO C[C@@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccsc1 ZINC000089639844 217822064 /nfs/dbraw/zinc/82/20/64/217822064.db2.gz MVILPSVTUIZXIQ-CQSZACIVSA-N 1 0 335.517 3.905 50 0 EHAARO O=C(Nc1ccnn1C1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000012578826 211414122 /nfs/dbraw/zinc/41/41/22/211414122.db2.gz MADCSDKVIPKYFK-UHFFFAOYSA-N 1 0 338.455 3.715 50 0 EHAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)NC1CC1 ZINC000012385926 211364839 /nfs/dbraw/zinc/36/48/39/211364839.db2.gz IGBZYHQFXPVHBE-UHFFFAOYSA-N 1 0 326.440 3.704 50 0 EHAARO CC(C)C(NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)C(C)C ZINC000012382017 211363390 /nfs/dbraw/zinc/36/33/90/211363390.db2.gz BJWWMTNEWFAJOJ-UHFFFAOYSA-N 1 0 334.479 3.835 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)C1 ZINC000012289059 211334011 /nfs/dbraw/zinc/33/40/11/211334011.db2.gz ZPAXXNYDPJXTDT-XDRRCAOWSA-N 1 0 335.532 3.558 50 0 EHAARO CC(C)(CO)C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000011949569 211274511 /nfs/dbraw/zinc/27/45/11/211274511.db2.gz WJVBHVXZQQBUJJ-QGZVFWFLSA-N 1 0 345.462 3.633 50 0 EHAARO CCn1cc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)cn1 ZINC000011879496 211263205 /nfs/dbraw/zinc/26/32/05/211263205.db2.gz BFZWSUQSWDDPNJ-UHFFFAOYSA-N 1 0 341.499 3.500 50 0 EHAARO OC[C@]1(CC2CC2)CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000091536658 218019429 /nfs/dbraw/zinc/01/94/29/218019429.db2.gz IGEZMPUYYOVLNF-SFHVURJKSA-N 1 0 325.399 3.663 50 0 EHAARO O=C1NCCC[C@@]12CC[N@H+](Cc1ccc(SC3CCCCC3)o1)C2 ZINC000091755218 218059232 /nfs/dbraw/zinc/05/92/32/218059232.db2.gz URMSIBBMUKQMCD-IBGZPJMESA-N 1 0 348.512 3.807 50 0 EHAARO O=C(CC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)N1CCCC1 ZINC000092056629 218112208 /nfs/dbraw/zinc/11/22/08/218112208.db2.gz JQQRQORCKAEQQG-ONEGZZNKSA-N 1 0 330.447 3.563 50 0 EHAARO C[N@H+](C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010383911 211168992 /nfs/dbraw/zinc/16/89/92/211168992.db2.gz FVSKGYLVKWJXTA-WYGOJCFESA-N 1 0 335.532 3.845 50 0 EHAARO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000009882517 211130414 /nfs/dbraw/zinc/13/04/14/211130414.db2.gz FWHIWBXGMULHIZ-HNNXBMFYSA-N 1 0 334.419 3.965 50 0 EHAARO CC[N@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000095356854 218291004 /nfs/dbraw/zinc/29/10/04/218291004.db2.gz JFQOHTDMQIWPPL-NRFANRHFSA-N 1 0 334.463 3.645 50 0 EHAARO COc1ccccc1[C@H](CC[NH2+]C1CCN(C)CC1)c1ccccc1 ZINC000009053079 211034607 /nfs/dbraw/zinc/03/46/07/211034607.db2.gz BRHFRTYUENEIQU-HXUWFJFHSA-N 1 0 338.495 3.901 50 0 EHAARO CC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)CC[N@@H+]1C(C)C ZINC000095373215 218305332 /nfs/dbraw/zinc/30/53/32/218305332.db2.gz FIWJOZGVRFROEM-GOSISDBHSA-N 1 0 339.483 3.637 50 0 EHAARO Cc1c(-c2ccccc2)sc2ncnc(N3CCC[N@@H+](C)CC3)c12 ZINC000008849902 211011153 /nfs/dbraw/zinc/01/11/53/211011153.db2.gz SATYCQNIVOCRCF-UHFFFAOYSA-N 1 0 338.480 3.809 50 0 EHAARO CCc1nc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cs1 ZINC000095386291 218318082 /nfs/dbraw/zinc/31/80/82/218318082.db2.gz NAXWXSDBZBKKMG-PKOBYXMFSA-N 1 0 341.524 3.802 50 0 EHAARO C[C@@H](Cc1ccsc1)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000095420272 218361101 /nfs/dbraw/zinc/36/11/01/218361101.db2.gz INVGXIJKKMMNQO-AWEZNQCLSA-N 1 0 346.471 3.713 50 0 EHAARO COc1cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1SC ZINC000095421333 218362668 /nfs/dbraw/zinc/36/26/68/218362668.db2.gz QTUWBLSEZOJHGT-AAEUAGOBSA-N 1 0 348.434 3.704 50 0 EHAARO CCc1ccc([C@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)o1 ZINC000095421530 218362676 /nfs/dbraw/zinc/36/26/76/218362676.db2.gz JZUAPUSLSFUWED-INIZCTEOSA-N 1 0 327.472 3.595 50 0 EHAARO Cc1ncsc1[C@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095422966 218365041 /nfs/dbraw/zinc/36/50/41/218365041.db2.gz GBAGNSDBEWFWPZ-HSBZDZAISA-N 1 0 339.505 3.938 50 0 EHAARO Cc1cc(C=C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)no1 ZINC000095423088 218365188 /nfs/dbraw/zinc/36/51/88/218365188.db2.gz PQKXKEHRUANBLR-UHFFFAOYSA-N 1 0 334.423 3.848 50 0 EHAARO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cnc2ccsc2c1 ZINC000095422375 218365520 /nfs/dbraw/zinc/36/55/20/218365520.db2.gz BSGFAKAGWJJNMN-CYBMUJFWSA-N 1 0 331.485 3.596 50 0 EHAARO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000095423662 218366424 /nfs/dbraw/zinc/36/64/24/218366424.db2.gz YAMNEJQPIDOZLK-ZDUSSCGKSA-N 1 0 343.427 3.531 50 0 EHAARO CN(CC[NH+]1CCCC1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000095444964 218389090 /nfs/dbraw/zinc/38/90/90/218389090.db2.gz NQCKVQMNAMNRKL-UHFFFAOYSA-N 1 0 334.467 3.529 50 0 EHAARO CC(C)[C@H](NC(=O)C[N@H+](C[C@@H]1CCCCO1)C(C)C)c1ccccc1 ZINC000095455738 218398015 /nfs/dbraw/zinc/39/80/15/218398015.db2.gz JUNVXFXTRZOKNV-FPOVZHCZSA-N 1 0 346.515 3.779 50 0 EHAARO Cc1ccc2nc(C)c(C)c(C(=O)NCCNc3cc[nH+]cc3C)c2c1 ZINC000095499631 218414443 /nfs/dbraw/zinc/41/44/43/218414443.db2.gz TXUSZSUFVIPYBX-UHFFFAOYSA-N 1 0 348.450 3.705 50 0 EHAARO C[NH+]1CCC(C)(CNC(=O)C2(c3cccc(Cl)c3)CCC2)CC1 ZINC000096003215 218505806 /nfs/dbraw/zinc/50/58/06/218505806.db2.gz BBLUVDSVLJIZHU-UHFFFAOYSA-N 1 0 334.891 3.610 50 0 EHAARO Cc1n[nH]c(C2CC[NH+](Cc3ccc([C@@H]4CCCCO4)s3)CC2)n1 ZINC000097272525 219008311 /nfs/dbraw/zinc/00/83/11/219008311.db2.gz WADAOCVKDHKNMJ-INIZCTEOSA-N 1 0 346.500 3.796 50 0 EHAARO CC(C)([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cccc(F)c1 ZINC000283286081 257936590 /nfs/dbraw/zinc/93/65/90/257936590.db2.gz XPNQPTXLSKOCBI-INIZCTEOSA-N 1 0 340.442 3.813 50 0 EHAARO COc1ccc(-c2cc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)sc2C)cc1 ZINC000237405111 257945283 /nfs/dbraw/zinc/94/52/83/257945283.db2.gz MMKCNJJZBXDGAV-SWLSCSKDSA-N 1 0 344.480 3.684 50 0 EHAARO CSc1cccc(N(C(=O)c2cccnc2)C2CC[NH+](C)CC2)c1 ZINC000328587030 258046645 /nfs/dbraw/zinc/04/66/45/258046645.db2.gz BWBYEBSJMCTVFS-UHFFFAOYSA-N 1 0 341.480 3.545 50 0 EHAARO COc1cccc([C@@H]2CC[N@@H+]2CCC(=O)NC2CCCCCC2)c1 ZINC000299776616 258087324 /nfs/dbraw/zinc/08/73/24/258087324.db2.gz AOOOGPQSFIRIAC-IBGZPJMESA-N 1 0 330.472 3.671 50 0 EHAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2OCC)CC1 ZINC000004552756 258051062 /nfs/dbraw/zinc/05/10/62/258051062.db2.gz FUIMWYMAWZKJCD-UHFFFAOYSA-N 1 0 332.488 3.556 50 0 EHAARO Cc1nn2c(nc(C)cc2NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000072477826 258064742 /nfs/dbraw/zinc/06/47/42/258064742.db2.gz MZMIBHFRQJVZEV-LJQANCHMSA-N 1 0 349.482 3.589 50 0 EHAARO Fc1cc(Cl)ccc1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000187580858 534446042 /nfs/dbraw/zinc/44/60/42/534446042.db2.gz DNDUMRLDDVSAJA-UHFFFAOYSA-N 1 0 333.838 3.628 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C2CC2)CC1 ZINC000078721352 521553450 /nfs/dbraw/zinc/55/34/50/521553450.db2.gz UULQWJDZGYTVPF-DLBZAZTESA-N 1 0 348.437 3.544 50 0 EHAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C)s1 ZINC000036101655 524407112 /nfs/dbraw/zinc/40/71/12/524407112.db2.gz YRZLMLNCFPQWMO-KRWDZBQOSA-N 1 0 327.534 3.938 50 0 EHAARO [NH3+]C[C@H]1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000178545660 527238096 /nfs/dbraw/zinc/23/80/96/527238096.db2.gz BVCHWRXVCGJGNY-CYBMUJFWSA-N 1 0 348.368 3.793 50 0 EHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000003256636 564156631 /nfs/dbraw/zinc/15/66/31/564156631.db2.gz AZBVDJMXKPDOBD-ZDUSSCGKSA-N 1 0 330.394 3.946 50 0 EHAARO Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000001018429 563368958 /nfs/dbraw/zinc/36/89/58/563368958.db2.gz OMRRTOHSZWQOSS-MHWRWJLKSA-N 1 0 341.436 3.934 50 0 EHAARO CC[NH+](CC)CCCNC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000002310466 563429047 /nfs/dbraw/zinc/42/90/47/563429047.db2.gz QXSOILZYZXRCII-UHFFFAOYSA-N 1 0 349.862 3.765 50 0 EHAARO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000002733996 563447393 /nfs/dbraw/zinc/44/73/93/563447393.db2.gz GCHYHNMBNFZBLI-NRFANRHFSA-N 1 0 336.479 3.866 50 0 EHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000071915346 563619082 /nfs/dbraw/zinc/61/90/82/563619082.db2.gz UJASWBUEBNJNJN-GOSISDBHSA-N 1 0 341.499 3.759 50 0 EHAARO O[C@@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2 ZINC000002966410 563624314 /nfs/dbraw/zinc/62/43/14/563624314.db2.gz MFGOXTISATWVBV-LJQANCHMSA-N 1 0 345.825 3.739 50 0 EHAARO COc1ccccc1C[NH2+][C@@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000012575598 563663499 /nfs/dbraw/zinc/66/34/99/563663499.db2.gz SOSRHNQUHDYSSX-GOSISDBHSA-N 1 0 346.434 3.714 50 0 EHAARO CC(=O)c1cccc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)c1 ZINC000012701343 563667851 /nfs/dbraw/zinc/66/78/51/563667851.db2.gz PXXKYOHXVKMEKF-AWEZNQCLSA-N 1 0 346.434 3.900 50 0 EHAARO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000013057470 563686800 /nfs/dbraw/zinc/68/68/00/563686800.db2.gz IDWIJYWLGUTPOU-CYBMUJFWSA-N 1 0 327.815 3.507 50 0 EHAARO Cc1cc(NC(=O)[C@H]([NH2+]CCc2cccs2)c2ccccc2)no1 ZINC000014169129 563746516 /nfs/dbraw/zinc/74/65/16/563746516.db2.gz NZYFMEYXBDHWKX-QGZVFWFLSA-N 1 0 341.436 3.557 50 0 EHAARO CSc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1 ZINC000014950265 563767671 /nfs/dbraw/zinc/76/76/71/563767671.db2.gz BADFGEMQWQLWKG-INIZCTEOSA-N 1 0 344.480 3.644 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](CCc3cccc(OC)c3)C2)cn1 ZINC000014960313 563768651 /nfs/dbraw/zinc/76/86/51/563768651.db2.gz IOSCWZWKKZLEOS-GOSISDBHSA-N 1 0 327.472 3.756 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCC(C)CC2)o1 ZINC000015860319 563797003 /nfs/dbraw/zinc/79/70/03/563797003.db2.gz CEMSLSKAQYHSQB-SFHVURJKSA-N 1 0 344.430 3.930 50 0 EHAARO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953231 563854761 /nfs/dbraw/zinc/85/47/61/563854761.db2.gz FXFBJGYQCUTTJL-QGZVFWFLSA-N 1 0 346.490 3.727 50 0 EHAARO Cc1ccccc1-c1cccc(N2CCC(N3CCC[NH2+]CC3)CC2)c1 ZINC000019757721 563856999 /nfs/dbraw/zinc/85/69/99/563856999.db2.gz QQQLBALFVCKAIL-UHFFFAOYSA-N 1 0 349.522 3.926 50 0 EHAARO C[N@@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)[C@@H](c2ccccc2)C1 ZINC000022892714 563865281 /nfs/dbraw/zinc/86/52/81/563865281.db2.gz VMHZRVHIKXWPAA-HXUWFJFHSA-N 1 0 332.451 3.565 50 0 EHAARO C[NH+](C)Cc1ccccc1NC(=O)CCCOc1ccc(F)cc1 ZINC000024808682 563876066 /nfs/dbraw/zinc/87/60/66/563876066.db2.gz DTOJTHNYLKVDCF-UHFFFAOYSA-N 1 0 330.403 3.685 50 0 EHAARO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(C)c1 ZINC000026643384 563892550 /nfs/dbraw/zinc/89/25/50/563892550.db2.gz VOKYCNKEECNSRY-NRFANRHFSA-N 1 0 337.463 3.932 50 0 EHAARO CC[NH+](CC)[C@H](CNc1nn2cc(C)nc2s1)c1ccccc1 ZINC000026693783 563892804 /nfs/dbraw/zinc/89/28/04/563892804.db2.gz ADIRHVBNPAVTGR-OAHLLOKOSA-N 1 0 329.473 3.594 50 0 EHAARO CCOc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027582093 563897148 /nfs/dbraw/zinc/89/71/48/563897148.db2.gz SEQLFGCDUZTBLJ-KRWDZBQOSA-N 1 0 344.480 3.714 50 0 EHAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccccc2)c2cccs2)CC1 ZINC000028291353 563902203 /nfs/dbraw/zinc/90/22/03/563902203.db2.gz BIHWQJANSUPPMQ-KRWDZBQOSA-N 1 0 328.481 3.951 50 0 EHAARO CC[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 ZINC000003277104 563918797 /nfs/dbraw/zinc/91/87/97/563918797.db2.gz UDGVNVUFJGOZDT-SFHVURJKSA-N 1 0 325.880 3.872 50 0 EHAARO Cc1ccc2c(CN3CC[NH+](C4CCCCC4)CC3)cc(=O)oc2c1 ZINC000032996587 563921730 /nfs/dbraw/zinc/92/17/30/563921730.db2.gz QNEDKVXPUREDHX-UHFFFAOYSA-N 1 0 340.467 3.552 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 ZINC000033028937 563931611 /nfs/dbraw/zinc/93/16/11/563931611.db2.gz XIUIJUSWBSSCBC-INIZCTEOSA-N 1 0 338.785 3.651 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)cc1 ZINC000057996904 563936418 /nfs/dbraw/zinc/93/64/18/563936418.db2.gz AWHLEOHRGNASLV-GOSISDBHSA-N 1 0 343.496 3.633 50 0 EHAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000058218015 563940152 /nfs/dbraw/zinc/94/01/52/563940152.db2.gz CBCMFOVVOPOHAO-FQEVSTJZSA-N 1 0 338.451 3.885 50 0 EHAARO CSc1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000058379339 563944322 /nfs/dbraw/zinc/94/43/22/563944322.db2.gz BWELFFBZPDUNOK-ZDUSSCGKSA-N 1 0 340.920 3.912 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(-c3ccco3)ccc2F)C1 ZINC000096453148 563953799 /nfs/dbraw/zinc/95/37/99/563953799.db2.gz LWVIZIQUXMUFQU-AWEZNQCLSA-N 1 0 345.418 3.891 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000096461415 563954066 /nfs/dbraw/zinc/95/40/66/563954066.db2.gz PZUAYWYKDLRARL-HNNXBMFYSA-N 1 0 348.450 3.990 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1cccs1)Cc1c(C)cc(C)c(CO)c1C ZINC000063881642 563956374 /nfs/dbraw/zinc/95/63/74/563956374.db2.gz CQNYDZWHLDKKHE-QGZVFWFLSA-N 1 0 347.524 3.939 50 0 EHAARO CC(C)C[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000033068902 563958053 /nfs/dbraw/zinc/95/80/53/563958053.db2.gz XTULBVCYOHTRSU-UHFFFAOYSA-N 1 0 345.443 3.553 50 0 EHAARO C[C@H](c1cccc(-c2cccc(C(=O)c3nccn3C)c2)c1)[NH+](C)C ZINC000065398718 563959812 /nfs/dbraw/zinc/95/98/12/563959812.db2.gz XMHSCDLGJGDEIV-OAHLLOKOSA-N 1 0 333.435 3.941 50 0 EHAARO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1C(F)(F)F ZINC000065403929 563959981 /nfs/dbraw/zinc/95/99/81/563959981.db2.gz CSAOQXUCTJVVMF-GFCCVEGCSA-N 1 0 337.345 3.780 50 0 EHAARO Cc1cnc(-n2cnnc2)c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c1 ZINC000065406754 563960206 /nfs/dbraw/zinc/96/02/06/563960206.db2.gz VPSVEHKCPUCDOF-INIZCTEOSA-N 1 0 333.439 3.795 50 0 EHAARO Cc1cn2c(nc(C[N@@H+](Cc3cccs3)CC(C)C)cc2=O)s1 ZINC000033068961 563962108 /nfs/dbraw/zinc/96/21/08/563962108.db2.gz YLBPFSUELCRUAC-UHFFFAOYSA-N 1 0 347.509 3.784 50 0 EHAARO Cc1cccc2c(CCNc3cc(C4CC[NH2+]CC4)nc(C)n3)c[nH]c21 ZINC000067642635 563962436 /nfs/dbraw/zinc/96/24/36/563962436.db2.gz BAPHTGFFYMJQGJ-UHFFFAOYSA-N 1 0 349.482 3.696 50 0 EHAARO CC(C)[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)CCC[N@@H+]1CC1CC1 ZINC000071419036 563964329 /nfs/dbraw/zinc/96/43/29/563964329.db2.gz DAPWOEOQXGXYIK-IBGZPJMESA-N 1 0 342.487 3.612 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cnn1C ZINC000071747965 563965002 /nfs/dbraw/zinc/96/50/02/563965002.db2.gz QJKFZMDYQDXMNW-OAHLLOKOSA-N 1 0 333.426 3.852 50 0 EHAARO COc1cc(C[NH2+][C@H](CN(C)C)c2ccccc2)cc(Cl)c1OC ZINC000096971441 563966553 /nfs/dbraw/zinc/96/65/53/563966553.db2.gz ZBFZABZZDWWNOO-QGZVFWFLSA-N 1 0 348.874 3.750 50 0 EHAARO c1cnn(Cc2ccccc2C[N@H+]2CCCC[C@@H]2CCn2ccnc2)c1 ZINC000077406558 563969430 /nfs/dbraw/zinc/96/94/30/563969430.db2.gz LPKZXBXRUOFEHC-OAQYLSRUSA-N 1 0 349.482 3.573 50 0 EHAARO Cc1c2cccc(F)c2oc1-c1nc(CC2CC[NH+](C)CC2)no1 ZINC000077485668 563969925 /nfs/dbraw/zinc/96/99/25/563969925.db2.gz XKXWKIYFRXLJAL-UHFFFAOYSA-N 1 0 329.375 3.815 50 0 EHAARO Cc1ccc2[nH]c([C@H]3CCCN3Cc3cccc(CC[NH3+])c3)nc2c1 ZINC000077505539 563970143 /nfs/dbraw/zinc/97/01/43/563970143.db2.gz WKIAWRLTGQAZTG-HXUWFJFHSA-N 1 0 334.467 3.710 50 0 EHAARO Cc1ccc(NC2CCN(C(=O)C(C)(C)C)CC2)c(C[NH+](C)C)c1 ZINC000097234713 563970839 /nfs/dbraw/zinc/97/08/39/563970839.db2.gz HKUAAPXCIRKLNQ-UHFFFAOYSA-N 1 0 331.504 3.506 50 0 EHAARO CC(C)n1cc(CNc2cccc(N3CC[NH+](C(C)C)CC3)c2)cn1 ZINC000097032360 563971158 /nfs/dbraw/zinc/97/11/58/563971158.db2.gz DLYIUUWYDVIFIC-UHFFFAOYSA-N 1 0 341.503 3.607 50 0 EHAARO CCOc1cccc2cc([C@@H](C)N[C@@H]3CCCn4nc(C)nc43)oc21 ZINC000097034724 563971248 /nfs/dbraw/zinc/97/12/48/563971248.db2.gz FHYZUUWAADSPOW-IUODEOHRSA-N 1 0 340.427 3.917 50 0 EHAARO Cc1ccccc1NC(=O)N1CCC(C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000033312156 563973597 /nfs/dbraw/zinc/97/35/97/563973597.db2.gz WPUKTLCWXRWYLT-MRXNPFEDSA-N 1 0 329.488 3.971 50 0 EHAARO CSc1ccc(NC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)cc1 ZINC000091780812 563975759 /nfs/dbraw/zinc/97/57/59/563975759.db2.gz DTGKILKGJGFPPQ-NVXWUHKLSA-N 1 0 345.512 3.747 50 0 EHAARO O[C@@H](COCc1ccccc1F)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000247733592 563981232 /nfs/dbraw/zinc/98/12/32/563981232.db2.gz IQXGCLGFGGGVNA-QUCCMNQESA-N 1 0 329.415 3.540 50 0 EHAARO CCc1cccc(OCCN(CC)C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000097217677 563981391 /nfs/dbraw/zinc/98/13/91/563981391.db2.gz SINIABZSYZTTCF-UHFFFAOYSA-N 1 0 341.455 3.641 50 0 EHAARO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000014185195 563983392 /nfs/dbraw/zinc/98/33/92/563983392.db2.gz OWZNGIZEOMQRBZ-GOSISDBHSA-N 1 0 349.434 3.683 50 0 EHAARO CSc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000119796433 563983718 /nfs/dbraw/zinc/98/37/18/563983718.db2.gz MYIWRFPXSXVTKA-OAHLLOKOSA-N 1 0 333.501 3.748 50 0 EHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 ZINC000237411558 563992144 /nfs/dbraw/zinc/99/21/44/563992144.db2.gz NKPMBJMUZMGJPS-AAEUAGOBSA-N 1 0 329.271 3.512 50 0 EHAARO C[NH+]1CCC2(CC1)Nc1ccccc1-c1nc(C3CCCCC3)nn12 ZINC000408525750 563993290 /nfs/dbraw/zinc/99/32/90/563993290.db2.gz AGXUCGOWLLNKAZ-UHFFFAOYSA-N 1 0 337.471 3.797 50 0 EHAARO Cc1nc2ccccc2c(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 ZINC000426509925 563996223 /nfs/dbraw/zinc/99/62/23/563996223.db2.gz FYBWOZYASIUZEB-HNNXBMFYSA-N 1 0 333.435 3.998 50 0 EHAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000248139988 563996459 /nfs/dbraw/zinc/99/64/59/563996459.db2.gz PWVYSPKVLPAUFT-VQTJNVASSA-N 1 0 339.483 3.576 50 0 EHAARO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000078624106 564000904 /nfs/dbraw/zinc/00/09/04/564000904.db2.gz LOMCRVKXZQJHFH-KBPBESRZSA-N 1 0 343.393 3.786 50 0 EHAARO CC[NH+](CC)CCCNC(=O)C[C@](C)(CC)c1ccccc1OC ZINC000005307983 564002477 /nfs/dbraw/zinc/00/24/77/564002477.db2.gz AEXPYYLZGYXXQR-FQEVSTJZSA-N 1 0 334.504 3.601 50 0 EHAARO FC(F)(F)c1ccc([C@@H]2CN(Cc3cncs3)CCO2)cc1 ZINC000180775746 564013537 /nfs/dbraw/zinc/01/35/37/564013537.db2.gz SIGKZSSILSSSCO-AWEZNQCLSA-N 1 0 328.359 3.735 50 0 EHAARO C[C@H](CC[C@@H]1CC1(Cl)Cl)[NH2+]Cc1nncn1-c1ccccc1 ZINC000583650746 564018276 /nfs/dbraw/zinc/01/82/76/564018276.db2.gz AGGRYYFKNADSCU-CHWSQXEVSA-N 1 0 339.270 3.719 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc3ccccc3o2)C1 ZINC000047038540 564025640 /nfs/dbraw/zinc/02/56/40/564025640.db2.gz TZBIUDFZTDKMDE-IYBDPMFKSA-N 1 0 328.456 3.921 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000047415957 564026265 /nfs/dbraw/zinc/02/62/65/564026265.db2.gz GNKVIIGQAFQYJY-IAGOWNOFSA-N 1 0 341.499 3.585 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@H](C)SC)c2)C1 ZINC000107358497 564026912 /nfs/dbraw/zinc/02/69/12/564026912.db2.gz ZFQDKACNDCLRSY-LSDHHAIUSA-N 1 0 335.517 3.916 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000108352583 564028124 /nfs/dbraw/zinc/02/81/24/564028124.db2.gz UPWPVKRISVOSNH-KGLIPLIRSA-N 1 0 336.430 3.766 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000045462698 564028452 /nfs/dbraw/zinc/02/84/52/564028452.db2.gz NTXDJCNGTJKOIT-FQEVSTJZSA-N 1 0 343.515 3.826 50 0 EHAARO CC[N@H+](CCc1ccccn1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000048261319 564030306 /nfs/dbraw/zinc/03/03/06/564030306.db2.gz VNVMTWZMWIVZQD-UHFFFAOYSA-N 1 0 342.830 3.850 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1F ZINC000048332727 564031093 /nfs/dbraw/zinc/03/10/93/564031093.db2.gz QJNMVBKTJKEDJF-LLVKDONJSA-N 1 0 332.329 3.535 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000048784743 564032269 /nfs/dbraw/zinc/03/22/69/564032269.db2.gz GIXXVFWLZYJKMV-UHFFFAOYSA-N 1 0 327.428 3.515 50 0 EHAARO Cn1c(-c2cccc(Br)c2)c[nH+]c1NCc1cccnc1 ZINC000000819086 564035154 /nfs/dbraw/zinc/03/51/54/564035154.db2.gz ALJBROXDABYQCA-UHFFFAOYSA-N 1 0 343.228 3.857 50 0 EHAARO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1Cc2ccccc2C1 ZINC000222346465 564036813 /nfs/dbraw/zinc/03/68/13/564036813.db2.gz OTACMNKIGLAQFK-QFIPXVFZSA-N 1 0 348.490 3.667 50 0 EHAARO COc1ccc(C)cc1NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000225389483 564046351 /nfs/dbraw/zinc/04/63/51/564046351.db2.gz PZPWCQDNRRDEFT-KXBFYZLASA-N 1 0 341.455 3.817 50 0 EHAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000225604767 564048277 /nfs/dbraw/zinc/04/82/77/564048277.db2.gz LTITXHWIJMVMFX-KBXCAEBGSA-N 1 0 337.385 3.830 50 0 EHAARO Cc1sc([C@H](C)NC(=O)[C@H]2CC[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000237528556 564051451 /nfs/dbraw/zinc/05/14/51/564051451.db2.gz TUKPBMQADGCXOI-GWCFXTLKSA-N 1 0 349.887 3.559 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000003293138 564059117 /nfs/dbraw/zinc/05/91/17/564059117.db2.gz BUZBXGZTHNWLEE-INIZCTEOSA-N 1 0 336.357 3.738 50 0 EHAARO COc1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nc(OC)n1 ZINC000534640161 564061404 /nfs/dbraw/zinc/06/14/04/564061404.db2.gz ZLSNEZRWCIRTEH-CQSZACIVSA-N 1 0 327.428 3.708 50 0 EHAARO Cc1csc(CN(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)n1 ZINC000073813577 564062122 /nfs/dbraw/zinc/06/21/22/564062122.db2.gz HUWGQXYABLUYPH-UHFFFAOYSA-N 1 0 338.436 3.862 50 0 EHAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000012731728 564064230 /nfs/dbraw/zinc/06/42/30/564064230.db2.gz NRRCEZAWXMVDSW-UHFFFAOYSA-N 1 0 348.446 3.504 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000084736378 564069945 /nfs/dbraw/zinc/06/99/45/564069945.db2.gz JURFAVRHTWMNKQ-CRAIPNDOSA-N 1 0 327.472 3.541 50 0 EHAARO Cc1[nH]c2ccc(C[NH2+]Cc3ccc([S@](C)=O)cc3)cc2c1C ZINC000085305817 564072487 /nfs/dbraw/zinc/07/24/87/564072487.db2.gz OYEZWOUTACCIGY-HSZRJFAPSA-N 1 0 326.465 3.812 50 0 EHAARO CC(C)Oc1ccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1F ZINC000085313448 564072639 /nfs/dbraw/zinc/07/26/39/564072639.db2.gz PRASBXQFKAHTCV-QHCPKHFHSA-N 1 0 335.444 3.640 50 0 EHAARO O=C(Cc1ccccc1)Nc1ccc(C2=CSC3=NCCCN23)cc1 ZINC000012853600 564075438 /nfs/dbraw/zinc/07/54/38/564075438.db2.gz UZHLMBZGMZTGBW-UHFFFAOYSA-N 1 0 349.459 3.975 50 0 EHAARO CC(C)[C@@H](CNC(=O)c1ccc(F)c(F)c1F)[NH+]1CCC(C)CC1 ZINC000075105341 564080063 /nfs/dbraw/zinc/08/00/63/564080063.db2.gz OAWLXTBHNICHGH-OAHLLOKOSA-N 1 0 342.405 3.590 50 0 EHAARO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000016377678 564081621 /nfs/dbraw/zinc/08/16/21/564081621.db2.gz UCTPXLNORDGYFX-KCQAQPDRSA-N 1 0 328.378 3.527 50 0 EHAARO COc1ccc([C@@H]2C[NH2+]CCc3c(Cl)c(OC)c(OC)cc32)cc1 ZINC000034065190 564084078 /nfs/dbraw/zinc/08/40/78/564084078.db2.gz MYTZRTXHMVXREA-INIZCTEOSA-N 1 0 347.842 3.643 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006455737 564087851 /nfs/dbraw/zinc/08/78/51/564087851.db2.gz IESQPBKYIUAJGX-PXNSSMCTSA-N 1 0 325.452 3.968 50 0 EHAARO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000245393427 564088673 /nfs/dbraw/zinc/08/86/73/564088673.db2.gz CTHYYUMGDOTWLX-MJGOQNOKSA-N 1 0 330.472 3.623 50 0 EHAARO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)Cc1cncs1 ZINC000092017565 564088834 /nfs/dbraw/zinc/08/88/34/564088834.db2.gz MWHWBCWKZINHLA-HOTGVXAUSA-N 1 0 329.513 3.732 50 0 EHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000075572451 564089585 /nfs/dbraw/zinc/08/95/85/564089585.db2.gz BKILZKVWSKAADQ-INIZCTEOSA-N 1 0 329.488 3.809 50 0 EHAARO CO[C@@H](c1nnc([C@@H](C)C[NH+]2CCCCCC2)o1)c1ccccc1 ZINC000521393909 564090865 /nfs/dbraw/zinc/09/08/65/564090865.db2.gz ZKLDLMAUYJIXQK-DOTOQJQBSA-N 1 0 329.444 3.785 50 0 EHAARO C[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000089510419 564091155 /nfs/dbraw/zinc/09/11/55/564091155.db2.gz AEGYJBFRKBTPDY-QGZVFWFLSA-N 1 0 344.499 3.608 50 0 EHAARO O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(-c2nccc3ccccc32)cc1 ZINC000426545466 564094060 /nfs/dbraw/zinc/09/40/60/564094060.db2.gz ZUZIVROVQXZMEN-LJQANCHMSA-N 1 0 345.446 3.774 50 0 EHAARO Cc1cc(-c2ccc(C(=O)N[C@@H](c3nccn3C)C(C)C)cc2)ccn1 ZINC000426674020 564094329 /nfs/dbraw/zinc/09/43/29/564094329.db2.gz IRSVDVSYENQWLX-LJQANCHMSA-N 1 0 348.450 3.918 50 0 EHAARO Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)c(OCCC[NH3+])c1 ZINC000426667421 564094331 /nfs/dbraw/zinc/09/43/31/564094331.db2.gz NFKDNBUOFIAVDX-IBGZPJMESA-N 1 0 338.451 3.700 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000006882185 564100631 /nfs/dbraw/zinc/10/06/31/564100631.db2.gz ABFYATCPCMNGPM-OAHLLOKOSA-N 1 0 349.434 3.709 50 0 EHAARO Fc1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccoc4)CC3)n2)cc1 ZINC000065287354 564104474 /nfs/dbraw/zinc/10/44/74/564104474.db2.gz NLHGVISGXVIBOT-UHFFFAOYSA-N 1 0 326.375 3.583 50 0 EHAARO O=C(C1CCC(n2cccc2)CC1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000169990897 564104591 /nfs/dbraw/zinc/10/45/91/564104591.db2.gz JXSAIVIUKDGKLT-UHFFFAOYSA-N 1 0 343.515 3.743 50 0 EHAARO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)C1 ZINC000170048976 564105046 /nfs/dbraw/zinc/10/50/46/564105046.db2.gz RTXWLOMAYYPZNO-KBPBESRZSA-N 1 0 346.377 3.501 50 0 EHAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@H](C)C2)o1 ZINC000007340643 564106982 /nfs/dbraw/zinc/10/69/82/564106982.db2.gz FKGUXWMNMILSAI-ZDUSSCGKSA-N 1 0 338.411 3.932 50 0 EHAARO Cn1cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c(C(F)F)n1 ZINC000170598068 564109165 /nfs/dbraw/zinc/10/91/65/564109165.db2.gz IIAATOBMKDOMPA-ZDUSSCGKSA-N 1 0 337.439 3.972 50 0 EHAARO Cc1ccc(CN(C(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)C2CC2)o1 ZINC000170626894 564110565 /nfs/dbraw/zinc/11/05/65/564110565.db2.gz JFLGOGLKSFFKNU-OAQYLSRUSA-N 1 0 342.483 3.901 50 0 EHAARO CSc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000013737260 564111963 /nfs/dbraw/zinc/11/19/63/564111963.db2.gz RNBNBJDUFFLLCX-UHFFFAOYSA-N 1 0 333.501 3.891 50 0 EHAARO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000251015841 564112222 /nfs/dbraw/zinc/11/22/22/564112222.db2.gz ASVTUSWKXGUDDQ-AEFFLSMTSA-N 1 0 345.464 3.528 50 0 EHAARO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](C)Cn3ccnc3C)C2)cc1 ZINC000089735527 564113451 /nfs/dbraw/zinc/11/34/51/564113451.db2.gz VKEKHRYWWSAWLS-JTDSTZFVSA-N 1 0 327.472 3.714 50 0 EHAARO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)o1 ZINC000076016640 564114302 /nfs/dbraw/zinc/11/43/02/564114302.db2.gz YTTLJFIEHCVIJE-HFTRVMKXSA-N 1 0 334.504 3.818 50 0 EHAARO Cc1cccn2c(C[NH2+][C@@H]3CCCc4c3cnn4C(C)(C)C)cnc12 ZINC000076042779 564114729 /nfs/dbraw/zinc/11/47/29/564114729.db2.gz DCRCSDHLGXXYDG-QGZVFWFLSA-N 1 0 337.471 3.761 50 0 EHAARO CC[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1SC)c1ccccc1 ZINC000076089922 564115630 /nfs/dbraw/zinc/11/56/30/564115630.db2.gz OGFANUUYNQTQGY-NXHRZFHOSA-N 1 0 334.529 3.512 50 0 EHAARO CCOCCC1(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)CCC1 ZINC000089967762 564115899 /nfs/dbraw/zinc/11/58/99/564115899.db2.gz XOVNIRIFVBEVNP-IBGZPJMESA-N 1 0 346.515 3.783 50 0 EHAARO CCNc1cc[nH+]c(CSc2nncn2-c2ccccc2C)c1 ZINC000089977941 564115956 /nfs/dbraw/zinc/11/59/56/564115956.db2.gz RJGGRFGYIHSEAZ-UHFFFAOYSA-N 1 0 325.441 3.695 50 0 EHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000237383641 564117753 /nfs/dbraw/zinc/11/77/53/564117753.db2.gz DOGVGDJGRWJSAP-DGCLKSJQSA-N 1 0 329.271 3.654 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(O)c1 ZINC000194875039 564122348 /nfs/dbraw/zinc/12/23/48/564122348.db2.gz OOOKTWBSWLBBLV-HNNXBMFYSA-N 1 0 347.418 3.890 50 0 EHAARO COc1cccc(NC(=S)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000066008612 564123196 /nfs/dbraw/zinc/12/31/96/564123196.db2.gz VUNGYBRELNFPSO-UXLLHSPISA-N 1 0 347.528 3.729 50 0 EHAARO CC(C)c1csc([C@H]2CCCN(Cc3ncnn3C(C)(C)C)C2)n1 ZINC000253392581 564130473 /nfs/dbraw/zinc/13/04/73/564130473.db2.gz RCYGMQSITFGWQL-AWEZNQCLSA-N 1 0 347.532 3.993 50 0 EHAARO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000107138787 564132634 /nfs/dbraw/zinc/13/26/34/564132634.db2.gz JFRSRINCEVTWCK-SMDDNHRTSA-N 1 0 334.847 3.949 50 0 EHAARO [NH3+]CCCCCc1nnc(SCc2c(F)cccc2Cl)o1 ZINC000002381812 564134170 /nfs/dbraw/zinc/13/41/70/564134170.db2.gz QGWIZQTZLAORTN-UHFFFAOYSA-N 1 0 329.828 3.826 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1sccc1Cl)c1cccc(F)c1 ZINC000225492213 564135293 /nfs/dbraw/zinc/13/52/93/564135293.db2.gz FEHRLSPIZWSCSW-CYBMUJFWSA-N 1 0 326.824 3.573 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C2CC2)CC1 ZINC000078721353 564136951 /nfs/dbraw/zinc/13/69/51/564136951.db2.gz UULQWJDZGYTVPF-IRXDYDNUSA-N 1 0 348.437 3.544 50 0 EHAARO COc1ncccc1C[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000390833497 564138823 /nfs/dbraw/zinc/13/88/23/564138823.db2.gz IHQXFPNZBPJYJQ-ROUUACIJSA-N 1 0 330.403 3.581 50 0 EHAARO CN(CCc1cccs1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000095404538 564139552 /nfs/dbraw/zinc/13/95/52/564139552.db2.gz WOPICDWOILMUQR-UHFFFAOYSA-N 1 0 349.544 3.587 50 0 EHAARO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(Br)s1 ZINC000095422941 564140176 /nfs/dbraw/zinc/14/01/76/564140176.db2.gz HVCZKYUEJZQQIK-PSASIEDQSA-N 1 0 332.288 3.956 50 0 EHAARO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000095941279 564142032 /nfs/dbraw/zinc/14/20/32/564142032.db2.gz ZZHNKVRQLLGNSS-CJNGLKHVSA-N 1 0 333.863 3.796 50 0 EHAARO C[C@H]([NH2+]CC[S@](=O)C(C)(C)C)c1ccc(Br)s1 ZINC000095968105 564143160 /nfs/dbraw/zinc/14/31/60/564143160.db2.gz LHAWZDWMQFUVFL-HUTHGQBESA-N 1 0 338.336 3.708 50 0 EHAARO Clc1ccc(-n2cc(C[NH+]3CCC(n4ccnc4)CC3)cn2)cc1 ZINC000095982829 564143769 /nfs/dbraw/zinc/14/37/69/564143769.db2.gz GPCABPYOBXNCJW-UHFFFAOYSA-N 1 0 341.846 3.559 50 0 EHAARO Cc1cnn(-c2cc[nH+]cc2NCc2cnc(-c3cccnc3)s2)c1 ZINC000095988528 564144034 /nfs/dbraw/zinc/14/40/34/564144034.db2.gz MOTUHFAGMBTGDY-UHFFFAOYSA-N 1 0 348.435 3.706 50 0 EHAARO CC(C)=CC[NH+]1CCC(Nc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000095990706 564144124 /nfs/dbraw/zinc/14/41/24/564144124.db2.gz LYWQERVUICEPRB-UHFFFAOYSA-N 1 0 341.499 3.652 50 0 EHAARO Cc1nn(C)c(C)c1[C@H]1CCCN1c1cc(OCC2CC2)cc[nH+]1 ZINC000096006386 564144512 /nfs/dbraw/zinc/14/45/12/564144512.db2.gz CLDAOPAPCNIURG-QGZVFWFLSA-N 1 0 326.444 3.562 50 0 EHAARO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000096012793 564144749 /nfs/dbraw/zinc/14/47/49/564144749.db2.gz CJUATAKIBQBBEQ-DOTOQJQBSA-N 1 0 334.423 3.757 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNc1ncccc1-c1nnc(-c2ccccc2)o1 ZINC000096338973 564146804 /nfs/dbraw/zinc/14/68/04/564146804.db2.gz MROMVFYPJXZZBR-INIZCTEOSA-N 1 0 349.438 3.695 50 0 EHAARO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000096433651 564148001 /nfs/dbraw/zinc/14/80/01/564148001.db2.gz GTADGBPXXBLSAX-INIZCTEOSA-N 1 0 344.484 3.519 50 0 EHAARO Cc1nc(C)c(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000096445682 564148186 /nfs/dbraw/zinc/14/81/86/564148186.db2.gz OBUNFITZGPMXKC-UHFFFAOYSA-N 1 0 339.505 3.591 50 0 EHAARO CN(C)c1ccc(C[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)cn1 ZINC000097159874 564149455 /nfs/dbraw/zinc/14/94/55/564149455.db2.gz STVNRJXTJRDQJH-UHFFFAOYSA-N 1 0 347.422 3.574 50 0 EHAARO COC[C@@H](C)[NH2+][C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003476774 564158327 /nfs/dbraw/zinc/15/83/27/564158327.db2.gz VQNJSZIEMGLNDD-KDOFPFPSSA-N 1 0 346.858 3.953 50 0 EHAARO Cc1cccc(C[NH+]2CCN(Cc3nc4ccccc4nc3C)CC2)c1 ZINC000058392492 564158950 /nfs/dbraw/zinc/15/89/50/564158950.db2.gz MATLMVLEAZHGDY-UHFFFAOYSA-N 1 0 346.478 3.564 50 0 EHAARO Cc1cnccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670467174 564162616 /nfs/dbraw/zinc/16/26/16/564162616.db2.gz NOVUISCHOABHNX-FQEVSTJZSA-N 1 0 337.467 3.737 50 0 EHAARO CCC[N@H+](Cc1nc(-c2ccccn2)no1)[C@@H]1CCc2ccccc2C1 ZINC000067459942 564165953 /nfs/dbraw/zinc/16/59/53/564165953.db2.gz LJCVAJMIMWLGHE-GOSISDBHSA-N 1 0 348.450 3.901 50 0 EHAARO Cc1ccc(C(C)C)c(OCC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000008673974 564166293 /nfs/dbraw/zinc/16/62/93/564166293.db2.gz GBPTZBFWTJKKJD-UHFFFAOYSA-N 1 0 346.515 3.878 50 0 EHAARO C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000069491463 564169908 /nfs/dbraw/zinc/16/99/08/564169908.db2.gz MXHYBCGJPJFMNM-XQQFMLRXSA-N 1 0 328.378 3.583 50 0 EHAARO Cc1ccc(C(=O)NC2CC[NH+](CCc3cccs3)CC2)s1 ZINC000069654023 564171161 /nfs/dbraw/zinc/17/11/61/564171161.db2.gz OOIBUXHYCDJWDV-UHFFFAOYSA-N 1 0 334.510 3.555 50 0 EHAARO CCc1nccn1[C@@H]1CCCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000071870805 564176195 /nfs/dbraw/zinc/17/61/95/564176195.db2.gz HMTXYBHJLJTTJE-OAHLLOKOSA-N 1 0 347.409 3.520 50 0 EHAARO c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)c2)nc1 ZINC000110701909 568417736 /nfs/dbraw/zinc/41/77/36/568417736.db2.gz AGLVPLDYYMJADS-GHTZIAJQSA-N 1 0 338.451 3.662 50 0 EHAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000169781499 1032645363 /nfs/dbraw/zinc/64/53/63/1032645363.db2.gz IFMSJBVTCFWARD-MRXNPFEDSA-N 1 0 338.854 3.560 50 0 EHAARO Cc1cnc(C[C@H]2CCC[N@H+](Cc3scnc3C)C2)n1C(C)C ZINC000169788074 1032652190 /nfs/dbraw/zinc/65/21/90/1032652190.db2.gz TWNHZGPOBJHDGS-MRXNPFEDSA-N 1 0 332.517 3.992 50 0 EHAARO C[NH+]1CCC(NC(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC000173381460 1033293417 /nfs/dbraw/zinc/29/34/17/1033293417.db2.gz MGERZHASEBHXRN-OAQYLSRUSA-N 1 0 349.478 3.590 50 0 EHAARO c1ccc(-c2ccc(N3CCC(N4CCC[NH2+]CC4)CC3)cc2)cc1 ZINC000199438759 1026375536 /nfs/dbraw/zinc/37/55/36/1026375536.db2.gz OAJIRWLSUIKGPD-UHFFFAOYSA-N 1 0 335.495 3.618 50 0 EHAARO C[NH+](C)CCCCC(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000557402476 1031256261 /nfs/dbraw/zinc/25/62/61/1031256261.db2.gz FMVFIGGKWVIOHE-FQEVSTJZSA-N 1 0 328.431 3.763 50 0 EHAARO Cc1cc([C@](C)(O)C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)c(C)o1 ZINC000174442000 1033948701 /nfs/dbraw/zinc/94/87/01/1033948701.db2.gz QVNWMMJPHCVPCQ-LJQANCHMSA-N 1 0 347.842 3.823 50 0 EHAARO O=C(Nc1ccccc1Oc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171886488 1034703261 /nfs/dbraw/zinc/70/32/61/1034703261.db2.gz AIWZCMBTNDGEPZ-INIZCTEOSA-N 1 0 337.423 3.791 50 0 EHAARO CCOc1ccccc1N1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000023282509 1034789709 /nfs/dbraw/zinc/78/97/09/1034789709.db2.gz NNZUCTGFHNDEEH-HXUWFJFHSA-N 1 0 336.479 3.765 50 0 EHAARO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc2ccccc2o1 ZINC000177257426 1034908125 /nfs/dbraw/zinc/90/81/25/1034908125.db2.gz QMGWVDWBWVNESJ-UHFFFAOYSA-N 1 0 326.440 3.960 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)C1 ZINC000269106707 1128740987 /nfs/dbraw/zinc/74/09/87/1128740987.db2.gz KJDSTGGSFAHEPB-KADHNRKRSA-N 1 0 340.389 3.567 50 0 EHAARO c1ccc(COC2CC[NH+](Cc3cccc4c3OCO4)CC2)cc1 ZINC000179800119 1123862368 /nfs/dbraw/zinc/86/23/68/1123862368.db2.gz MVYVBWBNKNIOFU-UHFFFAOYSA-N 1 0 325.408 3.597 50 0 EHAARO O=C(Nc1cccc(C[NH2+][C@H]2CCCOC2)c1)c1ccc(Cl)cc1 ZINC000237872541 1123897012 /nfs/dbraw/zinc/89/70/12/1123897012.db2.gz SZVGCIJMIBBLKP-SFHVURJKSA-N 1 0 344.842 3.861 50 0 EHAARO CC[C@@H](O)CN(Cc1c[nH]c(-c2ccccc2)n1)Cc1ccccc1 ZINC000179947870 1123904909 /nfs/dbraw/zinc/90/49/09/1123904909.db2.gz ZEDYSMGWLYPGOM-HXUWFJFHSA-N 1 0 335.451 3.850 50 0 EHAARO Cc1ccccc1-n1cc(C[NH+]2CCC(Oc3ccncc3)CC2)cn1 ZINC000825235315 1131258793 /nfs/dbraw/zinc/25/87/93/1131258793.db2.gz VQMLNNRXBMSMSE-UHFFFAOYSA-N 1 0 348.450 3.619 50 0 EHAARO Cc1noc(C)c1C[NH2+]C1CCC(Oc2ncccc2Cl)CC1 ZINC000186515154 1129293195 /nfs/dbraw/zinc/29/31/95/1129293195.db2.gz OLWYBXZGQDDSJA-UHFFFAOYSA-N 1 0 335.835 3.820 50 0 EHAARO CSCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000012302731 1129507328 /nfs/dbraw/zinc/50/73/28/1129507328.db2.gz DWIPVBKOCVTIQB-HXUWFJFHSA-N 1 0 346.540 3.563 50 0 EHAARO O=C(NCCOc1ccccc1F)C1([NH+]2CCCCC2)CCCCC1 ZINC000827661329 1131391861 /nfs/dbraw/zinc/39/18/61/1131391861.db2.gz QPYFUKZAXIMYRI-UHFFFAOYSA-N 1 0 348.462 3.510 50 0 EHAARO Cc1cccc(C)c1N[C@H](C)C(=O)NCCCC[NH+]1CCCCCC1 ZINC000820631923 1130885751 /nfs/dbraw/zinc/88/57/51/1130885751.db2.gz FGBYYVYXWVWHDK-LJQANCHMSA-N 1 0 345.531 3.876 50 0 EHAARO CC(=O)Nc1ccc2nc(C[N@H+](C)CCC[C@@H]3CCCO3)ccc2c1 ZINC000823709307 1131080097 /nfs/dbraw/zinc/08/00/97/1131080097.db2.gz VXWVTKDZTFFFHV-LJQANCHMSA-N 1 0 341.455 3.584 50 0 EHAARO COc1cccc(C)c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000824795707 1131219800 /nfs/dbraw/zinc/21/98/00/1131219800.db2.gz QWPFYAQCLBUKPA-UHFFFAOYSA-N 1 0 338.451 3.529 50 0 EHAARO O=C(CCc1ccccc1F)NC1CC[NH+](Cc2cccs2)CC1 ZINC000828014947 1131415011 /nfs/dbraw/zinc/41/50/11/1131415011.db2.gz LLJSOQXRKTXOJQ-UHFFFAOYSA-N 1 0 346.471 3.601 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@H](n3c(C)cnc3C3CC3)C2)c1 ZINC000575544691 1131568342 /nfs/dbraw/zinc/56/83/42/1131568342.db2.gz ALRGZUHYOINNKC-SFHVURJKSA-N 1 0 325.456 3.915 50 0 EHAARO COCc1ncc(C)n1C[C@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000575547982 1131572341 /nfs/dbraw/zinc/57/23/41/1131572341.db2.gz DBGBKKJLRVZUFI-INIZCTEOSA-N 1 0 333.501 3.620 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000581787973 1132356504 /nfs/dbraw/zinc/35/65/04/1132356504.db2.gz MPAJFIZDVZQSTG-KRWDZBQOSA-N 1 0 332.463 3.800 50 0 EHAARO O=C(C[C@H]1CCOC2(CC[NH+](C3CCCCC3)CC2)C1)N1CCCC1 ZINC000581786413 1132359114 /nfs/dbraw/zinc/35/91/14/1132359114.db2.gz SMVNBMZOBWQNIE-GOSISDBHSA-N 1 0 348.531 3.593 50 0 EHAARO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@H+](Cc2ccc(C)cn2)C1 ZINC000581807587 1132368978 /nfs/dbraw/zinc/36/89/78/1132368978.db2.gz OUKKNBOHBQKZST-HXUWFJFHSA-N 1 0 347.466 3.794 50 0 EHAARO O=C(C1CCCC1)N1CCOc2ccc(C[NH+]3CCCCC3)cc2C1 ZINC000581820028 1132375392 /nfs/dbraw/zinc/37/53/92/1132375392.db2.gz NMCBBNPJXLLLKF-UHFFFAOYSA-N 1 0 342.483 3.584 50 0 EHAARO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000585117501 1137010335 /nfs/dbraw/zinc/01/03/35/1137010335.db2.gz HZGARZWPIAEOBY-FIEAQMJYSA-N 1 0 340.448 3.990 50 0 EHAARO CCSc1ccccc1NC(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000952869973 1137482908 /nfs/dbraw/zinc/48/29/08/1137482908.db2.gz RTCXGUWAYTZPBM-HNNXBMFYSA-N 1 0 348.512 3.628 50 0 EHAARO CC/C=C(/CN1CC[N@H+](CC(C)C)[C@H](CCO)C1)c1ccccc1 ZINC000952862739 1137482919 /nfs/dbraw/zinc/48/29/19/1137482919.db2.gz QETZBHUXANWBJB-XTHAEVHISA-N 1 0 330.516 3.505 50 0 EHAARO c1csc(CN2CCC[C@@H]([NH2+]Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000952868800 1137482923 /nfs/dbraw/zinc/48/29/23/1137482923.db2.gz AXCFIKJQODGHKW-QGZVFWFLSA-N 1 0 325.481 3.984 50 0 EHAARO CCN1CCCC[C@H]1C[NH2+]Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952971441 1137484249 /nfs/dbraw/zinc/48/42/49/1137484249.db2.gz OIGVKRGCELWCBC-INIZCTEOSA-N 1 0 333.863 3.558 50 0 EHAARO CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(Cl)c1)c1cccs1 ZINC000952976824 1137484521 /nfs/dbraw/zinc/48/45/21/1137484521.db2.gz UGVOCAKHVUMYEM-CYBMUJFWSA-N 1 0 338.860 3.507 50 0 EHAARO Cc1cc(C)nc(C[N@@H+](C)Cc2ccc(OC(C)C)c(CO)c2)c1 ZINC000952985466 1137485529 /nfs/dbraw/zinc/48/55/29/1137485529.db2.gz WAIZVDBGOFZBAX-UHFFFAOYSA-N 1 0 328.456 3.610 50 0 EHAARO C[C@@H](c1nc(C2CC2)no1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000051793802 214104181 /nfs/dbraw/zinc/10/41/81/214104181.db2.gz LCBNMHPKOODTHE-HNNXBMFYSA-N 1 0 332.492 3.596 50 0 EHAARO CCOC(=O)C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(C)cc1 ZINC000055211052 214288160 /nfs/dbraw/zinc/28/81/60/214288160.db2.gz ICQQNHNOZWQHOL-KRWDZBQOSA-N 1 0 341.407 3.508 50 0 EHAARO Cc1ccccc1CN(CC[NH+](C)C)Cc1cccn1-c1ccccn1 ZINC000055309903 214305583 /nfs/dbraw/zinc/30/55/83/214305583.db2.gz RSDIZPHFJXMJJV-UHFFFAOYSA-N 1 0 348.494 3.745 50 0 EHAARO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000055325961 214307920 /nfs/dbraw/zinc/30/79/20/214307920.db2.gz CCBLHORCPAYQJO-AWEZNQCLSA-N 1 0 325.416 3.506 50 0 EHAARO CC(=O)c1cc(CN(CC[NH+](C)C)Cc2ccccc2C)cs1 ZINC000055404300 214319825 /nfs/dbraw/zinc/31/98/25/214319825.db2.gz CQRBTHWBKGVTLT-UHFFFAOYSA-N 1 0 330.497 3.823 50 0 EHAARO c1sc(CN2CCO[C@@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775488 219056831 /nfs/dbraw/zinc/05/68/31/219056831.db2.gz RJYOPNWYXOGEJW-HXUWFJFHSA-N 1 0 342.508 3.917 50 0 EHAARO CC1(C)CC(NC(=O)N[C@@H]2CCc3c2cccc3Cl)CC(C)(C)[NH2+]1 ZINC000056900281 214394289 /nfs/dbraw/zinc/39/42/89/214394289.db2.gz GGHYQRZNIRSVAB-MRXNPFEDSA-N 1 0 349.906 3.936 50 0 EHAARO CCOc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000004538827 210216935 /nfs/dbraw/zinc/21/69/35/210216935.db2.gz ULPCGNPWQLTAHI-IBGZPJMESA-N 1 0 344.499 3.956 50 0 EHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccc(F)cc1 ZINC000004488508 210201793 /nfs/dbraw/zinc/20/17/93/210201793.db2.gz ACTFAIZNLJPPQB-GOSISDBHSA-N 1 0 345.414 3.682 50 0 EHAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccccc1 ZINC000004488505 210200805 /nfs/dbraw/zinc/20/08/05/210200805.db2.gz YZNCHGMFPXDZQP-SFHVURJKSA-N 1 0 327.424 3.543 50 0 EHAARO O=C1C[C@H]([C@@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccccc1 ZINC000101120101 219117053 /nfs/dbraw/zinc/11/70/53/219117053.db2.gz MIXFAAAACQFFCU-ZWKOTPCHSA-N 1 0 338.451 3.736 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000004263212 210154180 /nfs/dbraw/zinc/15/41/80/210154180.db2.gz OCWKRSVQUNLLTR-BZPMIXESSA-N 1 0 332.271 3.711 50 0 EHAARO CCn1cc(-c2c(-c3ccccc3)ncn2CC[NH+](CC)CC)cn1 ZINC000065395806 214888555 /nfs/dbraw/zinc/88/85/55/214888555.db2.gz ZRGXYPNLVBLCLE-UHFFFAOYSA-N 1 0 337.471 3.775 50 0 EHAARO C[N@@H+]1CCc2cc(Br)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000003870333 210082189 /nfs/dbraw/zinc/08/21/89/210082189.db2.gz XFTVOHWWEQGXLS-OAHLLOKOSA-N 1 0 332.241 3.775 50 0 investigational EHAARO COc1ccccc1NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000003434494 210038637 /nfs/dbraw/zinc/03/86/37/210038637.db2.gz SOZYGEVFHHKEJE-MRXNPFEDSA-N 1 0 343.427 3.637 50 0 EHAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2ccccc2c1 ZINC000003345577 210014744 /nfs/dbraw/zinc/01/47/44/210014744.db2.gz HYLMALWKMLUHFP-AWEZNQCLSA-N 1 0 348.402 3.685 50 0 EHAARO CCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000003318096 210006026 /nfs/dbraw/zinc/00/60/26/210006026.db2.gz PKCNIWQCDLKKEE-FQEVSTJZSA-N 1 0 340.467 3.898 50 0 EHAARO COCc1cc(C[NH2+]Cc2c(C)n(CC(C)C)c3ccccc32)[nH]n1 ZINC000067431741 215143972 /nfs/dbraw/zinc/14/39/72/215143972.db2.gz YZTFFGVVWGYMRP-UHFFFAOYSA-N 1 0 340.471 3.765 50 0 EHAARO CCCC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000067447233 215147059 /nfs/dbraw/zinc/14/70/59/215147059.db2.gz DVZZZIBJKFTFON-NRFANRHFSA-N 1 0 328.500 3.918 50 0 EHAARO Cc1c(C[N@@H+](C)CCC(=O)N2CCC[C@@H](C)C2)[nH]c2ccccc12 ZINC000067605434 215167354 /nfs/dbraw/zinc/16/73/54/215167354.db2.gz COEUAWMBKSGHLS-OAHLLOKOSA-N 1 0 327.472 3.557 50 0 EHAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC([NH+](C)C)CC1 ZINC000067674918 215180998 /nfs/dbraw/zinc/18/09/98/215180998.db2.gz NZZVUJZTGFLOGQ-UHFFFAOYSA-N 1 0 333.863 3.829 50 0 EHAARO c1c[nH]c(-c2c(-c3ccccc3)ncn2CCCC[NH+]2CCCC2)n1 ZINC000067676315 215183113 /nfs/dbraw/zinc/18/31/13/215183113.db2.gz WTQSPUMJSFTNHR-UHFFFAOYSA-N 1 0 335.455 3.816 50 0 EHAARO Cc1ccc([C@@]2(O)C[N+](c3cc(C)ccc3C)=C3CCCCN32)cc1 ZINC000002966267 209946683 /nfs/dbraw/zinc/94/66/83/209946683.db2.gz JTEMARRNROHCHI-QFIPXVFZSA-N 1 0 335.471 3.872 50 0 EHAARO CC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1C)C1=CC[N@H+](C)CC1 ZINC000067820648 215221225 /nfs/dbraw/zinc/22/12/25/215221225.db2.gz HMKFCJRNVXCMSB-MRXNPFEDSA-N 1 0 340.389 3.784 50 0 EHAARO COc1cc(OC)cc([C@@H]2c3[nH]cnc3CC[N@H+]2CC2CCCC2)c1 ZINC000067855733 215233901 /nfs/dbraw/zinc/23/39/01/215233901.db2.gz MDDFPZYZRKSTIO-HXUWFJFHSA-N 1 0 341.455 3.565 50 0 EHAARO Cn1ncc2cc(NC(=O)c3cccc(C[N@H+]4CC=CCC4)c3)ccc21 ZINC000067855973 215232906 /nfs/dbraw/zinc/23/29/06/215232906.db2.gz QPJZTDFWOILLKC-UHFFFAOYSA-N 1 0 346.434 3.588 50 0 EHAARO C[C@H](O)C[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067872675 215237169 /nfs/dbraw/zinc/23/71/69/215237169.db2.gz FKRSIJKMIDVRIN-HNNXBMFYSA-N 1 0 334.419 3.748 50 0 EHAARO C[N@@H+]1CCC=C(CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000067954945 215259315 /nfs/dbraw/zinc/25/93/15/215259315.db2.gz BEKOYADSHKJQPD-UHFFFAOYSA-N 1 0 338.373 3.572 50 0 EHAARO CCCC[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccccc1C ZINC000002660211 209887423 /nfs/dbraw/zinc/88/74/23/209887423.db2.gz CHVOWXWAJUQTSR-CTNGQTDRSA-N 1 0 327.468 3.852 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H](C)n1cccn1 ZINC000069368766 215390387 /nfs/dbraw/zinc/39/03/87/215390387.db2.gz GZFMWPFVHNFBDW-IRXDYDNUSA-N 1 0 336.439 3.596 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccc2c(c1)OCO2 ZINC000040153565 213274782 /nfs/dbraw/zinc/27/47/82/213274782.db2.gz BKRMIOFXCDNLIO-HNNXBMFYSA-N 1 0 344.436 3.643 50 0 EHAARO O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)Nc1cccnc1 ZINC000040091428 213261922 /nfs/dbraw/zinc/26/19/22/213261922.db2.gz APRNORMQUHHNKX-QGZVFWFLSA-N 1 0 344.846 3.694 50 0 EHAARO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000040002627 213248394 /nfs/dbraw/zinc/24/83/94/213248394.db2.gz SXUKTICYBXUYRJ-IAGOWNOFSA-N 1 0 340.467 3.668 50 0 EHAARO O[C@H](COCc1ccccc1)C[N@@H+]1CCc2sccc2[C@@H]1C1CC1 ZINC000040007546 213250535 /nfs/dbraw/zinc/25/05/35/213250535.db2.gz MTSHBMUYWLEZSD-PXNSSMCTSA-N 1 0 343.492 3.635 50 0 EHAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3OC)C2)cc1 ZINC000039420490 213235909 /nfs/dbraw/zinc/23/59/09/213235909.db2.gz RKQFTYUTVORCIE-GOSISDBHSA-N 1 0 326.440 3.780 50 0 EHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1cccs1 ZINC000038489605 213211767 /nfs/dbraw/zinc/21/17/67/213211767.db2.gz YKSNNUBVRWKZQP-UHFFFAOYSA-N 1 0 335.498 3.843 50 0 EHAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000000455582 209611316 /nfs/dbraw/zinc/61/13/16/209611316.db2.gz RJAAJWTUVISGCN-MRXNPFEDSA-N 1 0 340.442 3.915 50 0 EHAARO CC[NH+](CC)CCNc1nc2ccc(Br)cc2s1 ZINC000036657647 213108291 /nfs/dbraw/zinc/10/82/91/213108291.db2.gz JJKAESNARKPMMN-UHFFFAOYSA-N 1 0 328.279 3.813 50 0 EHAARO COc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2)cc1 ZINC000036095160 213063980 /nfs/dbraw/zinc/06/39/80/213063980.db2.gz LPYSIDKPIIRVCV-IBGZPJMESA-N 1 0 343.467 3.593 50 0 EHAARO Cc1cccn2c(=O)cc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)nc12 ZINC000032511075 212806940 /nfs/dbraw/zinc/80/69/40/212806940.db2.gz VBCBKSDQXDGTRW-ZDUSSCGKSA-N 1 0 327.815 3.507 50 0 EHAARO CC(C)c1ccc2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)[nH]c2c1 ZINC000072126371 216017616 /nfs/dbraw/zinc/01/76/16/216017616.db2.gz DBYNHNPTUIUPFZ-SFHVURJKSA-N 1 0 339.483 3.992 50 0 EHAARO COc1ccc(NC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)c(C)c1 ZINC000072144964 216030317 /nfs/dbraw/zinc/03/03/17/216030317.db2.gz XJEOPFBCSWHZEE-KRWDZBQOSA-N 1 0 345.487 3.876 50 0 EHAARO Clc1ccccc1OC1CN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000072155959 216045800 /nfs/dbraw/zinc/04/58/00/216045800.db2.gz RGCORGNDBQVVLK-MAUKXSAKSA-N 1 0 334.891 3.668 50 0 EHAARO C[N@H+](Cc1cnc(-c2ccco2)nc1)Cc1cccc2ncccc12 ZINC000072165247 216053820 /nfs/dbraw/zinc/05/38/20/216053820.db2.gz QGPDVAALMJHRNZ-UHFFFAOYSA-N 1 0 330.391 3.917 50 0 EHAARO COc1c(Cl)cc(Cl)cc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000072167258 216058377 /nfs/dbraw/zinc/05/83/77/216058377.db2.gz XQTGICFWVHEFND-CQSZACIVSA-N 1 0 331.287 3.918 50 0 EHAARO O[C@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000000079094 209405482 /nfs/dbraw/zinc/40/54/82/209405482.db2.gz UPXRZTUOTCZTEW-FQEVSTJZSA-N 1 0 341.862 3.990 50 0 EHAARO CN(Cc1cccc2cccnc21)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072438610 216233851 /nfs/dbraw/zinc/23/38/51/216233851.db2.gz DUGRBIZJYWYQIW-QGZVFWFLSA-N 1 0 345.446 3.584 50 0 EHAARO CCOc1cc(C)c(C[N@@H+]2CC[C@@]3(CN(C)C(=O)O3)C2)cc1C(C)C ZINC000072453579 216240823 /nfs/dbraw/zinc/24/08/23/216240823.db2.gz QYUOCGFFBRAXLL-HXUWFJFHSA-N 1 0 346.471 3.544 50 0 EHAARO CCS[C@H]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072837636 216314852 /nfs/dbraw/zinc/31/48/52/216314852.db2.gz WRQZTGILGDQVEO-GJZGRUSLSA-N 1 0 335.448 3.982 50 0 EHAARO c1nc2ccccc2n1-c1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000023864995 212397464 /nfs/dbraw/zinc/39/74/64/212397464.db2.gz QQADMYHYLPSCOU-UHFFFAOYSA-N 1 0 328.419 3.753 50 0 EHAARO C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@H](O)c1ccccc1 ZINC000023280982 212366774 /nfs/dbraw/zinc/36/67/74/212366774.db2.gz UCOVVUJHUBIZDM-INIZCTEOSA-N 1 0 338.220 3.754 50 0 EHAARO CCOc1ccccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000022766907 212322539 /nfs/dbraw/zinc/32/25/39/212322539.db2.gz CKPCEYOLTSAMKM-HNNXBMFYSA-N 1 0 333.457 3.571 50 0 EHAARO Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000022685297 212316275 /nfs/dbraw/zinc/31/62/75/212316275.db2.gz UVMGFKJKWAUDHX-KRWDZBQOSA-N 1 0 341.455 3.673 50 0 EHAARO COc1ccc(NC(=O)N[C@H](CC[NH+](C)C)c2ccccc2)c(F)c1 ZINC000215148771 241107058 /nfs/dbraw/zinc/10/70/58/241107058.db2.gz LFTNDZYBJVMWPV-QGZVFWFLSA-N 1 0 345.418 3.649 50 0 EHAARO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000215347488 241119306 /nfs/dbraw/zinc/11/93/06/241119306.db2.gz GLFUWDGUYLBILT-HNNXBMFYSA-N 1 0 342.414 3.673 50 0 EHAARO c1nnc([C@@H]2CCC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)[nH]1 ZINC000215565972 241131748 /nfs/dbraw/zinc/13/17/48/241131748.db2.gz BDHVQGKNDWWYSY-MRXNPFEDSA-N 1 0 326.444 3.506 50 0 EHAARO CCCO[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C1 ZINC000215616742 241133565 /nfs/dbraw/zinc/13/35/65/241133565.db2.gz RNSXRDCQVBAYFJ-IBGZPJMESA-N 1 0 341.455 3.543 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)cc1 ZINC000021960178 212266754 /nfs/dbraw/zinc/26/67/54/212266754.db2.gz JRDIZAXWVJFABJ-INIZCTEOSA-N 1 0 343.298 3.729 50 0 EHAARO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000225462503 241876015 /nfs/dbraw/zinc/87/60/15/241876015.db2.gz RFOXQPREYPJCHC-CQSZACIVSA-N 1 0 342.414 3.795 50 0 EHAARO OCC[N@H+](Cc1ccc(Cl)c2cccnc12)C1CCSCC1 ZINC000225520063 241909955 /nfs/dbraw/zinc/90/99/55/241909955.db2.gz ZVCXHFSPOIDNMC-UHFFFAOYSA-N 1 0 336.888 3.578 50 0 EHAARO Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1cccs1 ZINC000230134412 242237507 /nfs/dbraw/zinc/23/75/07/242237507.db2.gz QWCOJHPPWYMUAL-HUUCEWRRSA-N 1 0 329.469 3.523 50 0 EHAARO CCCOc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000021148699 212210775 /nfs/dbraw/zinc/21/07/75/212210775.db2.gz NRNRJLMUKBLEGM-SFHVURJKSA-N 1 0 344.499 3.956 50 0 EHAARO O=C(c1ccccc1)[C@H]1CCC[N@H+](Cc2cc(-c3cccnc3)no2)C1 ZINC000244742153 243071754 /nfs/dbraw/zinc/07/17/54/243071754.db2.gz OCRLNGPJRXLOLP-SFHVURJKSA-N 1 0 347.418 3.832 50 0 EHAARO Cc1ccc([C@@H](CC[NH2+]CCN(C)C)[C@H]2CCOC(C)(C)C2)cc1 ZINC000020566492 212148052 /nfs/dbraw/zinc/14/80/52/212148052.db2.gz OFXYFIUSQDZZBQ-VQTJNVASSA-N 1 0 332.532 3.825 50 0 EHAARO CN(C)CC[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000020418788 212126972 /nfs/dbraw/zinc/12/69/72/212126972.db2.gz NSFMTXXIWNCKBD-UHFFFAOYSA-N 1 0 340.511 3.933 50 0 EHAARO CC(C)c1cccc(C(C)C)c1OCCOCCN1CC[NH+](C)CC1 ZINC000019792390 212067844 /nfs/dbraw/zinc/06/78/44/212067844.db2.gz AEPBEZWBQXDKOS-UHFFFAOYSA-N 1 0 348.531 3.576 50 0 EHAARO CC(C)n1c(=O)c2ccccc2nc1SCC[C@H]1CCCC[N@@H+]1C ZINC000049710921 214028932 /nfs/dbraw/zinc/02/89/32/214028932.db2.gz XOVRBEZXJRCPCF-OAHLLOKOSA-N 1 0 345.512 3.944 50 0 EHAARO c1cc(C2CCCC2)sc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000019225603 212007553 /nfs/dbraw/zinc/00/75/53/212007553.db2.gz QLQUJIKZMHWSTQ-KRWDZBQOSA-N 1 0 334.529 3.702 50 0 EHAARO Cc1cc(F)ccc1C[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000078394168 217046743 /nfs/dbraw/zinc/04/67/43/217046743.db2.gz HUXJUZIXBWMXGW-UHFFFAOYSA-N 1 0 336.410 3.634 50 0 EHAARO Cc1nc(C)c(C[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C2CC2)s1 ZINC000079051402 217183542 /nfs/dbraw/zinc/18/35/42/217183542.db2.gz KTRSFUIGVWTCHG-QGZVFWFLSA-N 1 0 339.505 3.543 50 0 EHAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012434866 211379291 /nfs/dbraw/zinc/37/92/91/211379291.db2.gz ZOXITHPKYIFOSD-KRWDZBQOSA-N 1 0 326.465 3.898 50 0 EHAARO CC(C)c1ccccc1O[C@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000012383116 211363293 /nfs/dbraw/zinc/36/32/93/211363293.db2.gz NCEXPFONTQIDNO-MRXNPFEDSA-N 1 0 332.488 3.566 50 0 EHAARO C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000090086905 217915781 /nfs/dbraw/zinc/91/57/81/217915781.db2.gz FWQMHLAUCFZDGY-ABAIWWIYSA-N 1 0 326.278 3.823 50 0 EHAARO COc1ccc(-c2csc(-c3ccc(C[NH3+])cc3)n2)cc1OC ZINC000011887231 211264279 /nfs/dbraw/zinc/26/42/79/211264279.db2.gz OAHWQVWCVFAYLI-UHFFFAOYSA-N 1 0 326.421 3.953 50 0 EHAARO C[N@@H+]1CCC[C@@H](CCc2ncnn2-c2cccc(C(F)(F)F)c2)C1 ZINC000091444477 218006619 /nfs/dbraw/zinc/00/66/19/218006619.db2.gz HPQFGDWSUMWUGK-ZDUSSCGKSA-N 1 0 338.377 3.561 50 0 EHAARO COc1ccccc1C[N@@H+]1CCC[C@H](C(=O)c2ccccc2OC)C1 ZINC000011816406 211250889 /nfs/dbraw/zinc/25/08/89/211250889.db2.gz GGOPXJDIHLBUFA-KRWDZBQOSA-N 1 0 339.435 3.799 50 0 EHAARO O=C1N(Cc2ccccc2F)CCC[C@@]12CC[N@@H+](C1CCCC1)C2 ZINC000011844115 211256103 /nfs/dbraw/zinc/25/61/03/211256103.db2.gz RCEBQBSJLHDSMD-FQEVSTJZSA-N 1 0 330.447 3.583 50 0 EHAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)s1 ZINC000091820381 218072204 /nfs/dbraw/zinc/07/22/04/218072204.db2.gz CBTZESFNEPYFMO-ZWKOTPCHSA-N 1 0 340.492 3.680 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000010328054 211164689 /nfs/dbraw/zinc/16/46/89/211164689.db2.gz SCHCFRBDTHWDHU-NRFANRHFSA-N 1 0 348.446 3.638 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(F)cc1F ZINC000009514973 211094575 /nfs/dbraw/zinc/09/45/75/211094575.db2.gz KEZKSNXKZNFBRQ-INIZCTEOSA-N 1 0 349.381 3.907 50 0 EHAARO CC(C)CCn1cccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000093741872 218245317 /nfs/dbraw/zinc/24/53/17/218245317.db2.gz KLFXHIDHUBPOGB-UHFFFAOYSA-N 1 0 331.504 3.511 50 0 EHAARO COc1ccccc1Oc1ccc(NC(=O)C2(C)CC[NH2+]CC2)cc1 ZINC000095349126 218283852 /nfs/dbraw/zinc/28/38/52/218283852.db2.gz UMKGXEYBDCVCNW-UHFFFAOYSA-N 1 0 340.423 3.816 50 0 EHAARO CC(C)[NH+]1CCC(CC(=O)N2CCCC[C@@H]2c2ccccn2)CC1 ZINC000095361410 218294248 /nfs/dbraw/zinc/29/42/48/218294248.db2.gz HHDOXUBVRJCTDF-LJQANCHMSA-N 1 0 329.488 3.646 50 0 EHAARO CC(C)[NH+]1CCC(CC(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000095375228 218308189 /nfs/dbraw/zinc/30/81/89/218308189.db2.gz LMUBLPMQVDTISR-MRXNPFEDSA-N 1 0 335.517 3.707 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)c1cnn(C)c1 ZINC000095421040 218361794 /nfs/dbraw/zinc/36/17/94/218361794.db2.gz NCVFXNRVOXSKME-OAHLLOKOSA-N 1 0 340.471 3.790 50 0 EHAARO O=c1ccccn1CCCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095421241 218363469 /nfs/dbraw/zinc/36/34/69/218363469.db2.gz LHVRKKYXHTVTSK-SFHVURJKSA-N 1 0 338.451 3.665 50 0 EHAARO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(N2CCCC2=O)cc1 ZINC000095421936 218364193 /nfs/dbraw/zinc/36/41/93/218364193.db2.gz HYPUWYBJRLNLQK-AUUYWEPGSA-N 1 0 336.435 3.857 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(N2CCCC2=O)cc1 ZINC000095421935 218364461 /nfs/dbraw/zinc/36/44/61/218364461.db2.gz HYPUWYBJRLNLQK-IFXJQAMLSA-N 1 0 336.435 3.857 50 0 EHAARO Fc1ccc([C@@H]([NH2+]C2CCN(Cc3cccnc3)CC2)C2CC2)cc1 ZINC000095422196 218364471 /nfs/dbraw/zinc/36/44/71/218364471.db2.gz NNARPFHJZSHNQJ-NRFANRHFSA-N 1 0 339.458 3.926 50 0 EHAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)c(C)c1 ZINC000095422987 218365128 /nfs/dbraw/zinc/36/51/28/218365128.db2.gz LKUMSAXESHRGGK-DNVCBOLYSA-N 1 0 346.496 3.579 50 0 EHAARO Cc1csc([C@H]([NH2+][C@@H](C)CC(=O)N2CCCCCC2)C2CC2)n1 ZINC000095423331 218365892 /nfs/dbraw/zinc/36/58/92/218365892.db2.gz QDUNGLIKCAZVEJ-SUMWQHHRSA-N 1 0 335.517 3.673 50 0 EHAARO COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](C)c2cccc(Cl)c2)c1 ZINC000095452898 218396210 /nfs/dbraw/zinc/39/62/10/218396210.db2.gz PTIXUMXLHIOPHJ-SCLBCKFNSA-N 1 0 349.858 3.784 50 0 EHAARO CCCCC[NH+](CCCCC)C[C@H](C)NC(=O)c1cnn(CC)c1 ZINC000006398474 210628712 /nfs/dbraw/zinc/62/87/12/210628712.db2.gz PLHWMIMXHHHQSQ-KRWDZBQOSA-N 1 0 336.524 3.704 50 0 EHAARO Brc1cccc(C2(C[NH2+]Cc3cc[nH]c3)CCOCC2)c1 ZINC000096461399 218844052 /nfs/dbraw/zinc/84/40/52/218844052.db2.gz YRZIXHWIURIYLB-UHFFFAOYSA-N 1 0 349.272 3.615 50 0 EHAARO CC[NH+](CC)CCCNC(=O)c1ccccc1Oc1ccccc1 ZINC000005597862 210497631 /nfs/dbraw/zinc/49/76/31/210497631.db2.gz DEVIVCLHZDDJPG-UHFFFAOYSA-N 1 0 326.440 3.941 50 0 EHAARO COc1cc(C[N@H+](C)C2CCCCC2)cc(Br)c1O ZINC000004987305 210351717 /nfs/dbraw/zinc/35/17/17/210351717.db2.gz LKXXZYLXYFFFGN-UHFFFAOYSA-N 1 0 328.250 3.928 50 0 EHAARO Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000097233905 219001476 /nfs/dbraw/zinc/00/14/76/219001476.db2.gz FHIODAQWAJXSJX-UONOGXRCSA-N 1 0 339.505 3.577 50 0 EHAARO Cc1n[nH]c(CN2CCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000097294758 219009704 /nfs/dbraw/zinc/00/97/04/219009704.db2.gz UJPLQEAUXNJNCA-QGZVFWFLSA-N 1 0 332.879 3.770 50 0 EHAARO O[C@@H]1C2CC[NH+](CC2)[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004827614 210288625 /nfs/dbraw/zinc/28/86/25/210288625.db2.gz RUPWEIHMVFBUON-VQTJNVASSA-N 1 0 329.390 3.552 50 0 EHAARO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000237939585 258005415 /nfs/dbraw/zinc/00/54/15/258005415.db2.gz CXTBJIASMIAMSM-QGZVFWFLSA-N 1 0 328.843 3.646 50 0 EHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 ZINC000299739335 258010736 /nfs/dbraw/zinc/01/07/36/258010736.db2.gz NKPMBJMUZMGJPS-DGCLKSJQSA-N 1 0 329.271 3.512 50 0 EHAARO NC(=O)c1ccc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000299306491 258011140 /nfs/dbraw/zinc/01/11/40/258011140.db2.gz DXZAQYULTNOKIL-QGZVFWFLSA-N 1 0 346.377 3.554 50 0 EHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCC1(c2ccccc2F)CCCC1 ZINC000299780023 258088964 /nfs/dbraw/zinc/08/89/64/258088964.db2.gz JITTXDZQNFIMAR-SFHVURJKSA-N 1 0 332.463 3.628 50 0 EHAARO CCOCCCNC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000004552779 258051089 /nfs/dbraw/zinc/05/10/89/258051089.db2.gz IFIPPNBNIIJJPW-UHFFFAOYSA-N 1 0 346.515 3.565 50 0 EHAARO COCc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)o1 ZINC000013593786 258056073 /nfs/dbraw/zinc/05/60/73/258056073.db2.gz WTFRSJGZJMQJSC-NRFANRHFSA-N 1 0 343.467 3.552 50 0 EHAARO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1NC(C)=O ZINC000129584424 533699999 /nfs/dbraw/zinc/69/99/99/533699999.db2.gz MVPUGKRPNYKDOT-KGLIPLIRSA-N 1 0 344.377 3.864 50 0 EHAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C1 ZINC000129846921 534409635 /nfs/dbraw/zinc/40/96/35/534409635.db2.gz WDXMOROHCUQYNZ-CVEARBPZSA-N 1 0 348.453 3.732 50 0 EHAARO CC[C@@H]1[C@H](O)C[C@H](c2ccc(OC)cc2)[NH2+][C@H]1c1ccc(OC)cc1 ZINC000239235500 523621732 /nfs/dbraw/zinc/62/17/32/523621732.db2.gz WBWWKIRERSPQIP-NCYKPQTJSA-N 1 0 341.451 3.867 50 0 EHAARO COc1ccc(-c2ccc(CN3CC([NH+]4CCCCC4)C3)o2)cc1 ZINC000215768224 536895907 /nfs/dbraw/zinc/89/59/07/536895907.db2.gz GQSWJKXVSNOUSK-UHFFFAOYSA-N 1 0 326.440 3.625 50 0 EHAARO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)Cc3cnccn3)o2)cc1 ZINC000215815000 536896255 /nfs/dbraw/zinc/89/62/55/536896255.db2.gz GHCMMIPSOWMTMR-OAHLLOKOSA-N 1 0 337.423 3.808 50 0 EHAARO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1scnc1Cl)c1ccccc1 ZINC000071890177 563419020 /nfs/dbraw/zinc/41/90/20/563419020.db2.gz OUNJFFHMBNSYNV-LLVKDONJSA-N 1 0 337.876 3.656 50 0 EHAARO OCc1ccccc1OCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002881333 563460801 /nfs/dbraw/zinc/46/08/01/563460801.db2.gz LGLCVGFDURYVOD-UHFFFAOYSA-N 1 0 339.479 3.903 50 0 EHAARO C[NH+]1CCC(Oc2ccc(CNC(=O)Nc3ccsc3)cc2)CC1 ZINC000285761106 563638053 /nfs/dbraw/zinc/63/80/53/563638053.db2.gz MAQXOOLPUWNUIO-UHFFFAOYSA-N 1 0 345.468 3.543 50 0 EHAARO O[C@H](C[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccccc1Cl ZINC000229912910 563662270 /nfs/dbraw/zinc/66/22/70/563662270.db2.gz JUKXMLWUCHXNJI-CZUORRHYSA-N 1 0 347.846 3.513 50 0 EHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(C)o3)C2)cc1OC ZINC000012835416 563675535 /nfs/dbraw/zinc/67/55/35/563675535.db2.gz ZFLAMQGPICWGPP-MRXNPFEDSA-N 1 0 343.423 3.700 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000012977089 563680452 /nfs/dbraw/zinc/68/04/52/563680452.db2.gz YJGCEBYKAWFPGR-GOSISDBHSA-N 1 0 327.403 3.784 50 0 EHAARO CCc1cc2c(C[NH2+][C@@H]3CCc4ccccc43)cc(=O)oc2cc1O ZINC000012980391 563681285 /nfs/dbraw/zinc/68/12/85/563681285.db2.gz CAPUHUKWDXUWPA-GOSISDBHSA-N 1 0 335.403 3.838 50 0 EHAARO Cc1ccc2c(c1)[nH]c1c2ncnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000013759516 563721620 /nfs/dbraw/zinc/72/16/20/563721620.db2.gz SNHMMXBQLDEXAQ-UHFFFAOYSA-N 1 0 349.482 3.874 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000014094487 563740099 /nfs/dbraw/zinc/74/00/99/563740099.db2.gz BYPPUIDVJSGSDI-QGZVFWFLSA-N 1 0 331.847 3.634 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000014094488 563740175 /nfs/dbraw/zinc/74/01/75/563740175.db2.gz BYPPUIDVJSGSDI-KRWDZBQOSA-N 1 0 331.847 3.634 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCc1ccsc1 ZINC000014095684 563740457 /nfs/dbraw/zinc/74/04/57/563740457.db2.gz JYTAJSUWAVDRCH-PKOBYXMFSA-N 1 0 340.492 3.824 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+]CCCO[C@@H](C)c2ccccc2)cc1 ZINC000014138265 563744338 /nfs/dbraw/zinc/74/43/38/563744338.db2.gz XLQKGJPHBLNQAU-INIZCTEOSA-N 1 0 326.440 3.903 50 0 EHAARO COc1ccccc1C[N@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000032819453 563757580 /nfs/dbraw/zinc/75/75/80/563757580.db2.gz UKBDPLUSLMWPFR-UHFFFAOYSA-N 1 0 343.452 3.871 50 0 EHAARO CC1(C)CC(NC(=O)Nc2ccc(F)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000032862291 563765259 /nfs/dbraw/zinc/76/52/59/563765259.db2.gz XIQLMRLEILEGMX-UHFFFAOYSA-N 1 0 327.831 3.910 50 0 EHAARO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccc(C)cc2)cc1 ZINC000014931382 563767315 /nfs/dbraw/zinc/76/73/15/563767315.db2.gz KVOKROVGJVMPPN-INIZCTEOSA-N 1 0 342.508 3.854 50 0 EHAARO CN(Cc1ccoc1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000014975700 563769650 /nfs/dbraw/zinc/76/96/50/563769650.db2.gz PTNZZLKXCLVTRS-GOSISDBHSA-N 1 0 330.447 3.805 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc(OC)c1 ZINC000015064817 563774619 /nfs/dbraw/zinc/77/46/19/563774619.db2.gz XHFDAFWPKAEORN-SFHVURJKSA-N 1 0 326.440 3.780 50 0 EHAARO CCCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000015831640 563793431 /nfs/dbraw/zinc/79/34/31/563793431.db2.gz OCKQMTWWFWAOAJ-GOSISDBHSA-N 1 0 342.439 3.635 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(O)c(OC)c2)cc1 ZINC000015836934 563794421 /nfs/dbraw/zinc/79/44/21/563794421.db2.gz FFBDEUIXMGJPEB-KRWDZBQOSA-N 1 0 343.423 3.755 50 0 EHAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2CC ZINC000016651581 563819442 /nfs/dbraw/zinc/81/94/42/563819442.db2.gz IZHHFLMDIRUMFB-UHFFFAOYSA-N 1 0 328.460 3.637 50 0 EHAARO Cc1cc(C)n(Cc2ccc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)cc2)n1 ZINC000019228797 563855203 /nfs/dbraw/zinc/85/52/03/563855203.db2.gz HDOLZOCFCFAGJT-HXUWFJFHSA-N 1 0 341.499 3.531 50 0 EHAARO Cc1csc2nc(C[NH2+][C@@H](C)c3ccc(Cl)cc3)cc(=O)n12 ZINC000025398340 563884386 /nfs/dbraw/zinc/88/43/86/563884386.db2.gz BRJUDBPJWCQYFW-NSHDSACASA-N 1 0 333.844 3.569 50 0 EHAARO O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1 ZINC000025946769 563889189 /nfs/dbraw/zinc/88/91/89/563889189.db2.gz LLALNUOIKKOXHK-UHFFFAOYSA-N 1 0 336.435 3.610 50 0 EHAARO COc1ccc(-c2noc(C[N@H+](C)[C@H](C)C(C)(C)C)n2)cc1OC ZINC000027134763 563894871 /nfs/dbraw/zinc/89/48/71/563894871.db2.gz QJJAADNDSXSWOC-GFCCVEGCSA-N 1 0 333.432 3.620 50 0 EHAARO Cc1ccc2c(ncn(CC[C@H]3CCCC[N@H+]3C(C)C)c2=O)c1C ZINC000032573450 563913910 /nfs/dbraw/zinc/91/39/10/563913910.db2.gz PWAVOEVOHDVBFV-QGZVFWFLSA-N 1 0 327.472 3.666 50 0 EHAARO Cc1ccsc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058307464 563942195 /nfs/dbraw/zinc/94/21/95/563942195.db2.gz USKIOBMZTMURJR-CQSZACIVSA-N 1 0 334.510 3.760 50 0 EHAARO O=C(C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)NCc1ccccc1 ZINC000058358161 563943677 /nfs/dbraw/zinc/94/36/77/563943677.db2.gz JLGHKUJYLSGFCK-UHFFFAOYSA-N 1 0 347.462 3.664 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000058394215 563944855 /nfs/dbraw/zinc/94/48/55/563944855.db2.gz JSNUCEDLCLIHNH-UHFFFAOYSA-N 1 0 347.462 3.871 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000096423085 563951813 /nfs/dbraw/zinc/95/18/13/563951813.db2.gz VEZHBPAPBRQEEP-MLGOLLRUSA-N 1 0 349.887 3.609 50 0 EHAARO COCCC[N@H+](C)Cc1ncc(-c2ccccc2Br)o1 ZINC000096424162 563951866 /nfs/dbraw/zinc/95/18/66/563951866.db2.gz NOXMGUYPBSXQQJ-UHFFFAOYSA-N 1 0 339.233 3.572 50 0 EHAARO CCSCc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000096435253 563952411 /nfs/dbraw/zinc/95/24/11/563952411.db2.gz BLJKGNARQXHVKU-MRXNPFEDSA-N 1 0 335.517 3.745 50 0 EHAARO Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC[C@H]2CCCO2)c1 ZINC000096494664 563955872 /nfs/dbraw/zinc/95/58/72/563955872.db2.gz JPYXSAZOAMGUHZ-KZNAEPCWSA-N 1 0 330.472 3.592 50 0 EHAARO CCCCc1nc(-c2c(-c3ccccc3)ncn2[C@H]2CC[NH2+]C2)c[nH]1 ZINC000065420505 563960556 /nfs/dbraw/zinc/96/05/56/563960556.db2.gz RTLDOKRXXUOUMI-INIZCTEOSA-N 1 0 335.455 3.817 50 0 EHAARO COc1ccccc1NC(=O)N1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071416166 563964331 /nfs/dbraw/zinc/96/43/31/563964331.db2.gz ZPYMVARCELTKTJ-SFHVURJKSA-N 1 0 345.487 3.669 50 0 EHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071589592 563964600 /nfs/dbraw/zinc/96/46/00/563964600.db2.gz RAHKHPBSLRWZOF-OAHLLOKOSA-N 1 0 333.426 3.852 50 0 EHAARO CC(C)([NH3+])C(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071738824 563964913 /nfs/dbraw/zinc/96/49/13/563964913.db2.gz FORXSTDSYMDPJJ-CQSZACIVSA-N 1 0 342.405 3.614 50 0 EHAARO OCc1ccc(-c2nccn2-c2ccccc2C[NH+]2CCCCC2)o1 ZINC000071745521 563964940 /nfs/dbraw/zinc/96/49/40/563964940.db2.gz LYLBQYGVPCNNGY-UHFFFAOYSA-N 1 0 337.423 3.611 50 0 EHAARO Cc1ccc(C2(C(=O)N(C)C[C@@H]3Cc4ccccc4C[N@@H+]3C)CC2)cc1 ZINC000077487341 563969980 /nfs/dbraw/zinc/96/99/80/563969980.db2.gz YPXZBUGTQYXKHG-NRFANRHFSA-N 1 0 348.490 3.542 50 0 EHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1C)OCO2 ZINC000077525375 563970213 /nfs/dbraw/zinc/97/02/13/563970213.db2.gz BEEVMVBQNLGDQO-SFHVURJKSA-N 1 0 341.455 3.673 50 0 EHAARO Cc1ccc(C(=O)CCC[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000082086712 563971980 /nfs/dbraw/zinc/97/19/80/563971980.db2.gz JICIJAGDFATWHG-GOSISDBHSA-N 1 0 325.456 3.571 50 0 EHAARO Cc1nc(C)c(C(=O)N[C@@H]2CCCC[N@H+](CCC(C)(C)C)C2)s1 ZINC000082121457 563972481 /nfs/dbraw/zinc/97/24/81/563972481.db2.gz GTNPDDRMUPUKFO-OAHLLOKOSA-N 1 0 337.533 3.780 50 0 EHAARO CCC[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1[NH+](C)C ZINC000082126197 563972506 /nfs/dbraw/zinc/97/25/06/563972506.db2.gz JFMUBQUTZVMQHY-RTBURBONSA-N 1 0 330.520 3.686 50 0 EHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000082137486 563972610 /nfs/dbraw/zinc/97/26/10/563972610.db2.gz YSXSTOTYEAPSSH-UHFFFAOYSA-N 1 0 347.821 3.535 50 0 EHAARO Cc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c(C)c1 ZINC000082138756 563972673 /nfs/dbraw/zinc/97/26/73/563972673.db2.gz YQXFFGVFIPZOPR-UHFFFAOYSA-N 1 0 335.451 3.702 50 0 EHAARO Cn1cnnc1C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000097213178 563981431 /nfs/dbraw/zinc/98/14/31/563981431.db2.gz ASZNHDGZOPSOMK-UHFFFAOYSA-N 1 0 346.478 3.827 50 0 EHAARO COc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)cc1 ZINC000000263795 563989848 /nfs/dbraw/zinc/98/98/48/563989848.db2.gz PFALCCNINAPKLZ-CQSZACIVSA-N 1 0 347.484 3.610 50 0 EHAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000248105847 563995168 /nfs/dbraw/zinc/99/51/68/563995168.db2.gz FUPRUKGYGLGSHD-DLBZAZTESA-N 1 0 343.858 3.587 50 0 EHAARO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(Br)s1 ZINC000252487166 563997773 /nfs/dbraw/zinc/99/77/73/563997773.db2.gz UADHLPVMVFHVLI-UAKXVISKSA-N 1 0 338.270 3.820 50 0 EHAARO Cc1csc([C@@H]2CN(CCCc3nc4ccccc4o3)CCO2)n1 ZINC000065463439 563998220 /nfs/dbraw/zinc/99/82/20/563998220.db2.gz VEEZLNYSBUNBJJ-INIZCTEOSA-N 1 0 343.452 3.599 50 0 EHAARO COc1ccc([C@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1F ZINC000033883908 563999894 /nfs/dbraw/zinc/99/98/94/563999894.db2.gz RZXCWNNAJOUUQF-XLIONFOSSA-N 1 0 329.415 3.747 50 0 EHAARO COc1cccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000273442678 564007796 /nfs/dbraw/zinc/00/77/96/564007796.db2.gz NQAWWRVIFBTFMA-ROUUACIJSA-N 1 0 330.403 3.581 50 0 EHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000017309752 564011618 /nfs/dbraw/zinc/01/16/18/564011618.db2.gz FQZKEDZMJFEVAG-UHFFFAOYSA-N 1 0 349.434 3.567 50 0 EHAARO COc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000017911588 564013271 /nfs/dbraw/zinc/01/32/71/564013271.db2.gz PLXVVSRUCOYUBP-HXUWFJFHSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO CSc1ccc([C@@]2(O)Cc3cccc[n+]3[C@H]2c2ccccc2)cc1 ZINC000000495521 564017973 /nfs/dbraw/zinc/01/79/73/564017973.db2.gz LLIBEQVYXSPFFD-SFTDATJTSA-N 1 0 334.464 3.729 50 0 EHAARO O=C(/C=C/c1ccc(F)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477263 564024220 /nfs/dbraw/zinc/02/42/20/564024220.db2.gz ZGQYUXOCQWLWJX-VEGGFIAOSA-N 1 0 342.414 3.775 50 0 EHAARO CCCCO[C@@H]1C[C@H](N(C)Cc2nc([C@H](C)OCC)no2)C1(C)C ZINC000106923511 564026735 /nfs/dbraw/zinc/02/67/35/564026735.db2.gz FIGJLMWLZLGTCW-SOUVJXGZSA-N 1 0 339.480 3.583 50 0 EHAARO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccc2c(c1)CCO2 ZINC000108461289 564028241 /nfs/dbraw/zinc/02/82/41/564028241.db2.gz MHZOMMFLBKHVNY-LNLFQRSKSA-N 1 0 333.497 3.717 50 0 EHAARO CS(=O)(=O)Nc1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000047750539 564029703 /nfs/dbraw/zinc/02/97/03/564029703.db2.gz KUBODXFWKJCXLH-UHFFFAOYSA-N 1 0 340.448 3.501 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccco3)cc2)C1 ZINC000048310797 564030806 /nfs/dbraw/zinc/03/08/06/564030806.db2.gz VMPXSBLUFNKRIZ-HZPDHXFCSA-N 1 0 326.440 3.688 50 0 EHAARO C[NH2+]Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 ZINC000014970149 564035334 /nfs/dbraw/zinc/03/53/34/564035334.db2.gz JMGUSOLCNQVZCT-UHFFFAOYSA-N 1 0 329.783 3.745 50 0 in-vivo EHAARO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000026315609 564039588 /nfs/dbraw/zinc/03/95/88/564039588.db2.gz ZYPZQELGQKBBJZ-ZDUSSCGKSA-N 1 0 331.412 3.572 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000223599038 564040422 /nfs/dbraw/zinc/04/04/22/564040422.db2.gz LBSVOEPERLNKJK-INIZCTEOSA-N 1 0 327.472 3.699 50 0 EHAARO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000449234620 564052423 /nfs/dbraw/zinc/05/24/23/564052423.db2.gz QWXOEAVIEZGGKX-IDCJVQTKSA-N 1 0 342.462 3.813 50 0 EHAARO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000252478139 564053376 /nfs/dbraw/zinc/05/33/76/564053376.db2.gz AEEAPZCDGIIUNV-SFHVURJKSA-N 1 0 339.439 3.646 50 0 EHAARO COc1ccnc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)c1 ZINC000252503715 564053565 /nfs/dbraw/zinc/05/35/65/564053565.db2.gz VFZVKARQTXLJJK-HNNXBMFYSA-N 1 0 330.403 3.520 50 0 EHAARO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000084169757 564067150 /nfs/dbraw/zinc/06/71/50/564067150.db2.gz FZJBYCIIMLQIPF-LBPRGKRZSA-N 1 0 332.473 3.530 50 0 EHAARO CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1COc1ccccc1Cl ZINC000161694575 564072849 /nfs/dbraw/zinc/07/28/49/564072849.db2.gz DAMCIRWFIOTRJS-SFHVURJKSA-N 1 0 346.858 3.519 50 0 EHAARO Cc1ccc(NC(=O)NC(=O)[C@@H](C)N(C)Cc2cccs2)c(C)c1 ZINC000012932927 564078916 /nfs/dbraw/zinc/07/89/16/564078916.db2.gz HQQDVATUIILPCT-CQSZACIVSA-N 1 0 345.468 3.534 50 0 EHAARO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]Cc2cscn2)cc1 ZINC000088757241 564079875 /nfs/dbraw/zinc/07/98/75/564079875.db2.gz KFBDOWOYNNWSTO-UHFFFAOYSA-N 1 0 333.457 3.822 50 0 EHAARO CC(C)[C@H](CNC(=O)c1ccc(F)c(F)c1F)[NH+]1CCC(C)CC1 ZINC000075105339 564080062 /nfs/dbraw/zinc/08/00/62/564080062.db2.gz OAWLXTBHNICHGH-HNNXBMFYSA-N 1 0 342.405 3.590 50 0 EHAARO CCOCCC[NH2+][C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000006285521 564083584 /nfs/dbraw/zinc/08/35/84/564083584.db2.gz NLNBULPXJRVCKQ-FQEVSTJZSA-N 1 0 340.467 3.999 50 0 EHAARO Cc1nc2ccccn2c1C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000075572575 564089596 /nfs/dbraw/zinc/08/95/96/564089596.db2.gz YLTXSBLGASTBIA-HXUWFJFHSA-N 1 0 334.467 3.569 50 0 EHAARO C[NH+](C)CC(C)(C)CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000006601577 564092677 /nfs/dbraw/zinc/09/26/77/564092677.db2.gz BSXSTPHRCCXUJH-UHFFFAOYSA-N 1 0 335.455 3.692 50 0 EHAARO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)n1C1CC1 ZINC000089575620 564092955 /nfs/dbraw/zinc/09/29/55/564092955.db2.gz NSAFRSMNOBIDJZ-VLIAUNLRSA-N 1 0 331.504 3.680 50 0 EHAARO CO[C@]12CC[N@H+](C/C(=C\C(C)C)c3ccccc3)[C@H]1C[C@@H](O)CC2 ZINC000426412708 564093687 /nfs/dbraw/zinc/09/36/87/564093687.db2.gz HNKSDYVOVAFCAN-CJRUGXPFSA-N 1 0 329.484 3.730 50 0 EHAARO Cc1ccc(F)cc1-c1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000426705918 564094430 /nfs/dbraw/zinc/09/44/30/564094430.db2.gz WCWILVNDGYXNFC-GOSISDBHSA-N 1 0 326.415 3.755 50 0 EHAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2)s1 ZINC000036100929 564096137 /nfs/dbraw/zinc/09/61/37/564096137.db2.gz TWVVKDURZAZQNI-QGZVFWFLSA-N 1 0 333.497 3.954 50 0 EHAARO CCCC[NH2+]C[C@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000006936576 564101851 /nfs/dbraw/zinc/10/18/51/564101851.db2.gz AMAPPELIBOZYKL-SFTDATJTSA-N 1 0 327.468 3.852 50 0 EHAARO CC(C)(CNC(=O)Cc1ccc(Cl)cc1Cl)[NH+]1CCCCC1 ZINC000007007482 564103104 /nfs/dbraw/zinc/10/31/04/564103104.db2.gz UTYAPQLSBSRFME-UHFFFAOYSA-N 1 0 343.298 3.917 50 0 EHAARO Cc1c2cc(F)ccc2oc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000007240656 564105987 /nfs/dbraw/zinc/10/59/87/564105987.db2.gz CLULGMHLMQGDJI-ZDUSSCGKSA-N 1 0 332.419 3.875 50 0 EHAARO Cc1noc(C(C)C)c1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000065554340 564107573 /nfs/dbraw/zinc/10/75/73/564107573.db2.gz YVDWXDZSJCWCGZ-AWEZNQCLSA-N 1 0 343.471 3.966 50 0 EHAARO COc1cc(F)cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000170592493 564108887 /nfs/dbraw/zinc/10/88/87/564108887.db2.gz AJUZAFKKMUURQP-KUHUBIRLSA-N 1 0 329.419 3.552 50 0 EHAARO Cc1c2cc(C)ccc2[nH]c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000089657486 564112906 /nfs/dbraw/zinc/11/29/06/564112906.db2.gz ZBOMMWZCLBRFET-UHFFFAOYSA-N 1 0 327.472 3.779 50 0 EHAARO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000076094925 564115751 /nfs/dbraw/zinc/11/57/51/564115751.db2.gz RYFWCESXZLRZSE-YJBOKZPZSA-N 1 0 336.439 3.638 50 0 EHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000237622261 564117790 /nfs/dbraw/zinc/11/77/90/564117790.db2.gz NMBFNKMPISMARW-GXTWGEPZSA-N 1 0 346.377 3.709 50 0 EHAARO C[C@@H](NC(=O)[C@@](C)([NH3+])C1CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000170681266 564121431 /nfs/dbraw/zinc/12/14/31/564121431.db2.gz SSKFGYRUBWWYTQ-XCLFUZPHSA-N 1 0 342.414 3.923 50 0 EHAARO CC1(C)CC(NC(=O)Cc2c(Cl)cccc2Cl)CC(C)(C)[NH2+]1 ZINC000007771003 564122967 /nfs/dbraw/zinc/12/29/67/564122967.db2.gz YFQUAFHVANHINA-UHFFFAOYSA-N 1 0 343.298 3.961 50 0 EHAARO C[C@@H]1c2ccsc2CCN1CC(=O)NCc1ccccc1Cl ZINC000007878321 564124292 /nfs/dbraw/zinc/12/42/92/564124292.db2.gz PWRCMWDGFZNNCO-GFCCVEGCSA-N 1 0 334.872 3.637 50 0 EHAARO CC[NH+](CC)CCCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000002354885 564133575 /nfs/dbraw/zinc/13/35/75/564133575.db2.gz QBTFGDPVSWORNR-UHFFFAOYSA-N 1 0 338.451 3.772 50 0 EHAARO CCc1nc(CN2CCC(C[NH2+][C@H](C)c3ccco3)CC2)cs1 ZINC000095422302 564140018 /nfs/dbraw/zinc/14/00/18/564140018.db2.gz GQLLHYWGXSQDBX-CQSZACIVSA-N 1 0 333.501 3.861 50 0 EHAARO COc1cccc([C@@H](O)C[NH2+][C@H](C)Cc2nc3ccccc3s2)c1 ZINC000095422286 564140061 /nfs/dbraw/zinc/14/00/61/564140061.db2.gz FXCRFZAOVWGSLY-DYVFJYSZSA-N 1 0 342.464 3.559 50 0 EHAARO C[NH+](C)CCNC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000095460837 564140785 /nfs/dbraw/zinc/14/07/85/564140785.db2.gz BSZYLWCKONXWAA-UHFFFAOYSA-N 1 0 340.452 3.646 50 0 EHAARO Cc1ccccc1[C@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)C1CC1 ZINC000095462809 564140870 /nfs/dbraw/zinc/14/08/70/564140870.db2.gz FFEJNZDWAMYHKT-OXQOHEQNSA-N 1 0 343.492 3.898 50 0 EHAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@H](c2ccccc2)c2ccccn2)n1 ZINC000095466214 564141030 /nfs/dbraw/zinc/14/10/30/564141030.db2.gz POCVITKHUARUBH-IIBYNOLFSA-N 1 0 334.467 3.910 50 0 EHAARO Cc1nc2ccccc2n(CCC[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c1=O ZINC000095940852 564142026 /nfs/dbraw/zinc/14/20/26/564142026.db2.gz UDYFDXMQQUYTQI-HLLBOEOZSA-N 1 0 327.472 3.509 50 0 EHAARO C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1ccc2ccccc2n1 ZINC000095967555 564143080 /nfs/dbraw/zinc/14/30/80/564143080.db2.gz MMQWHFKTXYSZPD-MRXNPFEDSA-N 1 0 333.435 3.592 50 0 EHAARO CCc1noc(CC)c1C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000095969155 564143316 /nfs/dbraw/zinc/14/33/16/564143316.db2.gz UDEZXHWSRCWWOS-AWEZNQCLSA-N 1 0 343.471 3.923 50 0 EHAARO CSC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000095969760 564143407 /nfs/dbraw/zinc/14/34/07/564143407.db2.gz BFSIVHGTBAEFAP-LLVKDONJSA-N 1 0 334.407 3.717 50 0 EHAARO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCc4nc(C)cn4C3)oc21 ZINC000095987865 564144011 /nfs/dbraw/zinc/14/40/11/564144011.db2.gz XQOOCYCCSFKVOK-ZFWWWQNUSA-N 1 0 325.412 3.612 50 0 EHAARO C[C@@H]1[C@@H]([NH2+]CCC(=O)N(C)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000096009239 564144620 /nfs/dbraw/zinc/14/46/20/564144620.db2.gz PUMFLHQMSYNRJX-YYWHXJBOSA-N 1 0 336.479 3.817 50 0 EHAARO CC1CC[NH+](CCCCNC(=O)/C=C\c2c(F)cccc2F)CC1 ZINC000096180001 564145827 /nfs/dbraw/zinc/14/58/27/564145827.db2.gz XQYOKNXHKCGSTA-FPLPWBNLSA-N 1 0 336.426 3.606 50 0 EHAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1(c2cccs2)CCCCC1 ZINC000096414312 564147702 /nfs/dbraw/zinc/14/77/02/564147702.db2.gz QDQNIZDUFYKKRA-OAHLLOKOSA-N 1 0 332.513 3.551 50 0 EHAARO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OC)c(NC(C)=O)c2)s1 ZINC000131869862 564153006 /nfs/dbraw/zinc/15/30/06/564153006.db2.gz MZJOUTMBYWJIFW-LLVKDONJSA-N 1 0 347.484 3.832 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@H]2c2cccs2)c2ccc(O)cc2o1 ZINC000057389522 564153871 /nfs/dbraw/zinc/15/38/71/564153871.db2.gz VBPUYLZYGARCGT-HNNXBMFYSA-N 1 0 327.405 3.897 50 0 EHAARO CCOc1ccc(NC(=S)N2CCC([N@H+](C)[C@@H](C)CC)CC2)cc1 ZINC000003060246 564154870 /nfs/dbraw/zinc/15/48/70/564154870.db2.gz NFXMJIWGVQTVFP-HNNXBMFYSA-N 1 0 349.544 3.977 50 0 EHAARO Cc1cccn2c(=O)cc(C[NH2+][C@H](C)c3ccc(Cl)cc3)nc12 ZINC000032511074 564161609 /nfs/dbraw/zinc/16/16/09/564161609.db2.gz VBCBKSDQXDGTRW-CYBMUJFWSA-N 1 0 327.815 3.507 50 0 EHAARO c1ccc2oc([C@H]3CCC[N@H+](C4CSCCSC4)C3)nc2c1 ZINC000670465978 564162363 /nfs/dbraw/zinc/16/23/63/564162363.db2.gz BZHIKALLQQEBEP-ZDUSSCGKSA-N 1 0 334.510 3.856 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000008325400 564164391 /nfs/dbraw/zinc/16/43/91/564164391.db2.gz AINTZJVTAZVIBW-HNNXBMFYSA-N 1 0 333.819 3.892 50 0 EHAARO CCC[N@H+](Cc1nc(-c2ccccn2)no1)[C@H]1CCc2ccccc2C1 ZINC000067459945 564165960 /nfs/dbraw/zinc/16/59/60/564165960.db2.gz LJCVAJMIMWLGHE-SFHVURJKSA-N 1 0 348.450 3.901 50 0 EHAARO COc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)cc1 ZINC000008613189 564166073 /nfs/dbraw/zinc/16/60/73/564166073.db2.gz QLCDFECZNMTUHE-SFHVURJKSA-N 1 0 330.472 3.566 50 0 EHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccccc1F ZINC000069460706 564169735 /nfs/dbraw/zinc/16/97/35/564169735.db2.gz BWQFVRVZCJZIKD-BEFAXECRSA-N 1 0 339.414 3.974 50 0 EHAARO CC(C)([NH2+]Cc1cccc(C(N)=O)c1)c1cccc(C(F)(F)F)c1 ZINC000069532983 564170276 /nfs/dbraw/zinc/17/02/76/564170276.db2.gz ROAWVPJYGDSMDO-UHFFFAOYSA-N 1 0 336.357 3.829 50 0 EHAARO CC(C)c1nnc2n1C[C@H](C[NH2+]Cc1cnc(C(C)(C)C)s1)CC2 ZINC000069818789 564172373 /nfs/dbraw/zinc/17/23/73/564172373.db2.gz UXHDMLLOYICOSA-ZDUSSCGKSA-N 1 0 347.532 3.508 50 0 EHAARO COc1ccc2ccccc2c1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000042225731 564174774 /nfs/dbraw/zinc/17/47/74/564174774.db2.gz NSNPQCQOPBAUIN-UHFFFAOYSA-N 1 0 340.467 3.585 50 0 EHAARO O=C(C=C1CCCCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000071846816 564175939 /nfs/dbraw/zinc/17/59/39/564175939.db2.gz YAEWUJWERVJVHE-QGZVFWFLSA-N 1 0 332.513 3.967 50 0 EHAARO CCc1nccn1[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000071870732 564176162 /nfs/dbraw/zinc/17/61/62/564176162.db2.gz MKBKBPLKVJGVAO-LBPRGKRZSA-N 1 0 335.810 3.715 50 0 EHAARO Cc1c(C)n(C)c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc12 ZINC000006911022 568421008 /nfs/dbraw/zinc/42/10/08/568421008.db2.gz BEXMDGNQJXWHRO-HNNXBMFYSA-N 1 0 341.499 3.789 50 0 EHAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000022078365 1017588572 /nfs/dbraw/zinc/58/85/72/1017588572.db2.gz FUTZHFNMNGFUOM-AVRDEDQJSA-N 1 0 336.479 3.934 50 0 EHAARO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000047305697 1018810340 /nfs/dbraw/zinc/81/03/40/1018810340.db2.gz YCKQEKOYFUTWSO-UHFFFAOYSA-N 1 0 338.451 3.684 50 0 EHAARO C[C@@H](Cc1ccsc1)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175983340 1020531313 /nfs/dbraw/zinc/53/13/13/1020531313.db2.gz PGTPQFMIZNYFHB-AWEZNQCLSA-N 1 0 337.533 3.583 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)C1 ZINC000237193008 1024152403 /nfs/dbraw/zinc/15/24/03/1024152403.db2.gz KJDSTGGSFAHEPB-XXYUJHKVSA-N 1 0 340.389 3.567 50 0 EHAARO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)/C=C/c1cccs1 ZINC000084325917 1031453264 /nfs/dbraw/zinc/45/32/64/1031453264.db2.gz OEJDAGWFTSZUTL-VAWYXSNFSA-N 1 0 328.481 3.788 50 0 EHAARO CC(C)[NH+]1CCC2(CC1)CCC(O)(CN1CCc3ccccc31)CC2 ZINC000257175167 1038320782 /nfs/dbraw/zinc/32/07/82/1038320782.db2.gz NPPIUOKREBEJEN-UHFFFAOYSA-N 1 0 342.527 3.845 50 0 EHAARO Cc1nc([C@@H]2CC23CC[NH+](Cc2ccc(Cl)c(F)c2)CC3)no1 ZINC000257190757 1038515335 /nfs/dbraw/zinc/51/53/35/1038515335.db2.gz OZAGCMXKZMHIGN-ZDUSSCGKSA-N 1 0 335.810 3.940 50 0 EHAARO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)CCO4)CC2)n1 ZINC000178418361 1042112695 /nfs/dbraw/zinc/11/26/95/1042112695.db2.gz OEHRTOUMWJFOPQ-MRXNPFEDSA-N 1 0 337.467 3.645 50 0 EHAARO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(OC)cn1 ZINC000888098574 1043261663 /nfs/dbraw/zinc/26/16/63/1043261663.db2.gz LFSFPGHUKCTCSW-SJLPKXTDSA-N 1 0 329.444 3.561 50 0 EHAARO CC[NH+](CC)[C@H](CNc1nnc(-c2ccccn2)s1)c1ccco1 ZINC000185549862 1126934957 /nfs/dbraw/zinc/93/49/57/1126934957.db2.gz JTGBVUQKRBJFRL-CQSZACIVSA-N 1 0 343.456 3.688 50 0 EHAARO Clc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cnn2ccccc12 ZINC000180992122 1124467818 /nfs/dbraw/zinc/46/78/18/1124467818.db2.gz VCRWPFNOMIKOSE-INIZCTEOSA-N 1 0 327.815 3.991 50 0 EHAARO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc4c3OCO4)C2)C1 ZINC000012072615 1129326568 /nfs/dbraw/zinc/32/65/68/1129326568.db2.gz ICZJQRUEDXIZEF-NRFANRHFSA-N 1 0 344.499 3.749 50 0 EHAARO OC1(CCC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CCC1 ZINC000817587564 1130651938 /nfs/dbraw/zinc/65/19/38/1130651938.db2.gz YTWHEJXVEWGMML-LBPRGKRZSA-N 1 0 345.306 3.642 50 0 EHAARO C[N@@H+](Cc1ccc(Oc2ccccc2)o1)C[C@@H]1CCn2ccnc2C1 ZINC000377860466 1131158720 /nfs/dbraw/zinc/15/87/20/1131158720.db2.gz MSLMIMDGVCWRCI-MRXNPFEDSA-N 1 0 337.423 3.963 50 0 EHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCc3sccc3C2)c1 ZINC000824628658 1131214629 /nfs/dbraw/zinc/21/46/29/1131214629.db2.gz VJDGFZWFFDMUBU-UHFFFAOYSA-N 1 0 325.437 3.501 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc2cc[nH]c21 ZINC000828177542 1131423757 /nfs/dbraw/zinc/42/37/57/1131423757.db2.gz OOVNRNWEYAZTIQ-OAHLLOKOSA-N 1 0 339.464 3.624 50 0 EHAARO CCN(CC)C(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000581802743 1132363069 /nfs/dbraw/zinc/36/30/69/1132363069.db2.gz PAQDJROXHZDZID-IBGZPJMESA-N 1 0 343.515 3.996 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000581807048 1132369859 /nfs/dbraw/zinc/36/98/59/1132369859.db2.gz AVXUMTVQTJADLA-KRWDZBQOSA-N 1 0 346.434 3.704 50 0 EHAARO OC[C@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)c1ccccc1Cl ZINC000585083663 1136970155 /nfs/dbraw/zinc/97/01/55/1136970155.db2.gz YXUXPFIXBQEUGI-ZDUSSCGKSA-N 1 0 332.806 3.826 50 0 EHAARO CN(c1ccccc1)C1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192058140 1136979011 /nfs/dbraw/zinc/97/90/11/1136979011.db2.gz ICARPBGVTCUPCJ-OAQYLSRUSA-N 1 0 349.478 3.541 50 0 EHAARO COc1ccc(/C=C/C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000952965219 1137483892 /nfs/dbraw/zinc/48/38/92/1137483892.db2.gz SPCKUDICGJXLEM-HWKANZROSA-N 1 0 337.467 3.624 50 0 EHAARO CCOc1ccc([C@@H](CC)[NH2+]Cc2cnn3c2nc(C)cc3C)cc1 ZINC000952971989 1137484285 /nfs/dbraw/zinc/48/42/85/1137484285.db2.gz AKIGXDZQCHZETK-LJQANCHMSA-N 1 0 338.455 3.986 50 0 EHAARO CCc1nccn1CCC(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000952973754 1137484493 /nfs/dbraw/zinc/48/44/93/1137484493.db2.gz YLAFSQFRLMELPC-UHFFFAOYSA-N 1 0 341.386 3.551 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(OCC(=O)N2CCCC2)cc1)C1=CCCCC1 ZINC000952988740 1137485735 /nfs/dbraw/zinc/48/57/35/1137485735.db2.gz UJGXYDRHDJYKCG-KRWDZBQOSA-N 1 0 342.483 3.666 50 0 EHAARO Cc1ccccc1O[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCC1)C(C)C ZINC000952989761 1137485809 /nfs/dbraw/zinc/48/58/09/1137485809.db2.gz XZZSWRBNZHDSOL-HXUWFJFHSA-N 1 0 346.515 3.731 50 0 EHAARO Clc1ccccc1Cn1nc(-c2ccco2)nc1C1CC[NH2+]CC1 ZINC000952989221 1137485918 /nfs/dbraw/zinc/48/59/18/1137485918.db2.gz UAFHCZXAWVRGJY-UHFFFAOYSA-N 1 0 342.830 3.707 50 0 EHAARO Cc1nnc([C@@H](C)[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000111260542 1140640375 /nfs/dbraw/zinc/64/03/75/1140640375.db2.gz OIITWLUMCTURFN-LLVKDONJSA-N 1 0 328.391 3.939 50 0 EHAARO Cc1ncc(C[N@H+](C)C[C@H](O)c2cc(Cl)ccc2Cl)s1 ZINC000051408325 214091687 /nfs/dbraw/zinc/09/16/87/214091687.db2.gz FLQYEICOTFJFJF-AWEZNQCLSA-N 1 0 331.268 3.924 50 0 EHAARO C[C@H](c1nc(C2CC2)no1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000051793804 214103417 /nfs/dbraw/zinc/10/34/17/214103417.db2.gz LCBNMHPKOODTHE-OAHLLOKOSA-N 1 0 332.492 3.596 50 0 EHAARO C[NH+](C)Cc1ccccc1NC(=O)COCc1ccccc1Cl ZINC000052666373 214139076 /nfs/dbraw/zinc/13/90/76/214139076.db2.gz YQTPGGGIDMUNEE-UHFFFAOYSA-N 1 0 332.831 3.557 50 0 EHAARO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)cc(=O)n12 ZINC000053211355 214170355 /nfs/dbraw/zinc/17/03/55/214170355.db2.gz NTPDBQQHDPKQES-MRXNPFEDSA-N 1 0 331.485 3.609 50 0 EHAARO C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc2ccccc2c1 ZINC000054153088 214220375 /nfs/dbraw/zinc/22/03/75/214220375.db2.gz IBLSWQFHURDESN-UHFFFAOYSA-N 1 0 343.430 3.751 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000054398665 214237121 /nfs/dbraw/zinc/23/71/21/214237121.db2.gz QRBPLEWGWVLVHM-FQEVSTJZSA-N 1 0 337.467 3.699 50 0 EHAARO CCOc1ccccc1C(=O)NCc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000054703129 214250767 /nfs/dbraw/zinc/25/07/67/214250767.db2.gz YFFYSWOZVSFFPT-UHFFFAOYSA-N 1 0 340.467 3.856 50 0 EHAARO CC[C@H](C)c1ccccc1OCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000055119290 214276606 /nfs/dbraw/zinc/27/66/06/214276606.db2.gz PSCFPHSUQYMRID-KRWDZBQOSA-N 1 0 344.499 3.666 50 0 EHAARO O=C(Nc1cccc(C[NH2+]Cc2cccc(F)c2)c1)c1ccncc1 ZINC000055171852 214283125 /nfs/dbraw/zinc/28/31/25/214283125.db2.gz NXQXVQFAWWGISF-UHFFFAOYSA-N 1 0 335.382 3.763 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2c[nH]nc2-c2cccs2)c1 ZINC000055282584 214301848 /nfs/dbraw/zinc/30/18/48/214301848.db2.gz GVVMQXZVJJNVGK-CQSZACIVSA-N 1 0 326.469 3.905 50 0 EHAARO CSc1nnc(CC2CC[NH+](C[C@H](C)c3ccccc3)CC2)n1C ZINC000055310460 214305103 /nfs/dbraw/zinc/30/51/03/214305103.db2.gz HBZCCYODCMONEK-HNNXBMFYSA-N 1 0 344.528 3.595 50 0 EHAARO COCC[N@H+](Cc1sccc1C)Cc1ccc(NC(C)=O)cc1 ZINC000055343871 214309589 /nfs/dbraw/zinc/30/95/89/214309589.db2.gz OXSSKJNCHVWEAM-UHFFFAOYSA-N 1 0 332.469 3.664 50 0 EHAARO CSc1ccc(C[N@H+](CCO)Cc2c[nH]c3ccccc23)cc1 ZINC000055414990 214322451 /nfs/dbraw/zinc/32/24/51/214322451.db2.gz OSGGTZFPQCOOGL-UHFFFAOYSA-N 1 0 326.465 3.884 50 0 EHAARO C[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000058084700 214477219 /nfs/dbraw/zinc/47/72/19/214477219.db2.gz JFLMQKHRQMZKGV-JSGCOSHPSA-N 1 0 345.512 3.574 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]C/C=C\c1ccccc1OC ZINC000098052831 219073621 /nfs/dbraw/zinc/07/36/21/219073621.db2.gz JYNBPCYJPAOBCO-RVMFYRRTSA-N 1 0 344.499 3.581 50 0 EHAARO C[C@H](CNC(=O)CCc1ccc(Cl)s1)C[NH+]1CCCCC1 ZINC000065542552 214954478 /nfs/dbraw/zinc/95/44/78/214954478.db2.gz DRMRUEPTQJZPBN-CYBMUJFWSA-N 1 0 328.909 3.572 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000047039081 213829240 /nfs/dbraw/zinc/82/92/40/213829240.db2.gz UXIZEVMCCHNFHN-KBPBESRZSA-N 1 0 340.870 3.967 50 0 EHAARO CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000004029407 210103308 /nfs/dbraw/zinc/10/33/08/210103308.db2.gz FDKVIHKZJVBWFP-PKOBYXMFSA-N 1 0 331.456 3.895 50 0 biogenic EHAARO c1ccc(C[N@@H+]2CCC[C@H](Nc3nccc(-c4ccccn4)n3)C2)cc1 ZINC000102547703 219209865 /nfs/dbraw/zinc/20/98/65/219209865.db2.gz BIMPKVVPGPDBDJ-SFHVURJKSA-N 1 0 345.450 3.615 50 0 EHAARO CSc1ccc(-c2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)cc1 ZINC000102648853 219218419 /nfs/dbraw/zinc/21/84/19/219218419.db2.gz MZESWXMHTVJIMJ-ZSHCYNCHSA-N 1 0 344.480 3.860 50 0 EHAARO CCCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(NC(C)=O)cc1 ZINC000067432862 215145499 /nfs/dbraw/zinc/14/54/99/215145499.db2.gz HKQXWMQZEKWVAL-LJQANCHMSA-N 1 0 326.444 3.506 50 0 EHAARO CCCCc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(C)=O)C3)C2)s1 ZINC000067588923 215166058 /nfs/dbraw/zinc/16/60/58/215166058.db2.gz RORREGYDMLJOQR-LJQANCHMSA-N 1 0 334.529 3.925 50 0 EHAARO COc1ccc(F)cc1C[N@@H+]1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 ZINC000067789644 215214009 /nfs/dbraw/zinc/21/40/09/215214009.db2.gz DIQDSIDFAIXPSN-GHTZIAJQSA-N 1 0 343.442 3.650 50 0 EHAARO C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc2cccc(O)c2n1 ZINC000067817336 215219247 /nfs/dbraw/zinc/21/92/47/215219247.db2.gz LUTKAVWIOPRDEK-UHFFFAOYSA-N 1 0 344.418 3.963 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000067982611 215266473 /nfs/dbraw/zinc/26/64/73/215266473.db2.gz VQTVFKMXPJMPFI-QGZVFWFLSA-N 1 0 349.478 3.911 50 0 EHAARO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)Cc2cccs2)CC1 ZINC000069323986 215378122 /nfs/dbraw/zinc/37/81/22/215378122.db2.gz CDQAUDHHEJRLRC-UHFFFAOYSA-N 1 0 346.471 3.553 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H](C)c3ccc(Cl)cc3)nc12 ZINC000040063177 213256965 /nfs/dbraw/zinc/25/69/65/213256965.db2.gz RYBCVOMGVBIYCD-AWEZNQCLSA-N 1 0 341.842 3.849 50 0 EHAARO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000039990571 213249300 /nfs/dbraw/zinc/24/93/00/213249300.db2.gz XWZHMPARZSMWFX-UHFFFAOYSA-N 1 0 348.233 3.633 50 0 EHAARO O=C(CCSc1ccccc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000039976174 213247837 /nfs/dbraw/zinc/24/78/37/213247837.db2.gz YTWAPUNYOIYYQX-SFHVURJKSA-N 1 0 340.492 3.560 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000038489573 213211302 /nfs/dbraw/zinc/21/13/02/213211302.db2.gz UBOSNQVIQZMWMI-UHFFFAOYSA-N 1 0 341.430 3.859 50 0 EHAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000036103129 213067813 /nfs/dbraw/zinc/06/78/13/213067813.db2.gz UQJIUGWPDKVEEY-GOSISDBHSA-N 1 0 329.415 3.538 50 0 EHAARO CC(C)COC[C@@H](O)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103328 213067207 /nfs/dbraw/zinc/06/72/07/213067207.db2.gz LUTRVOUZFUNCSZ-SFHVURJKSA-N 1 0 333.497 3.784 50 0 EHAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COc1ccccc1 ZINC000036095369 213063305 /nfs/dbraw/zinc/06/33/05/213063305.db2.gz RTKULHMGPRYKGG-IBGZPJMESA-N 1 0 331.431 3.724 50 0 EHAARO CCC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1C ZINC000036030891 213056504 /nfs/dbraw/zinc/05/65/04/213056504.db2.gz NPFLNQGHROXWSL-SFHVURJKSA-N 1 0 331.431 3.786 50 0 EHAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000072128920 216019797 /nfs/dbraw/zinc/01/97/97/216019797.db2.gz GHNWUWGRVOSKSF-GFCCVEGCSA-N 1 0 330.259 3.941 50 0 EHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072141911 216027488 /nfs/dbraw/zinc/02/74/88/216027488.db2.gz MUYLAWZHTAJNHB-SFHVURJKSA-N 1 0 326.440 3.705 50 0 EHAARO Cn1c(C[NH+]2CCC(OCc3cccnc3)CC2)cc2ccccc21 ZINC000072133770 216022216 /nfs/dbraw/zinc/02/22/16/216022216.db2.gz SUVHYISFUOFHSY-UHFFFAOYSA-N 1 0 335.451 3.755 50 0 EHAARO CC[C@H]1CN(Cc2cc3ccccc3nc2OC)CC[N@@H+]1C(C)C ZINC000072145200 216032937 /nfs/dbraw/zinc/03/29/37/216032937.db2.gz BNNZAAYEZCWGSR-SFHVURJKSA-N 1 0 327.472 3.548 50 0 EHAARO COc1cccc(-c2ncc(C[NH+]3CC(c4ccncc4)C3)s2)c1 ZINC000072153188 216042097 /nfs/dbraw/zinc/04/20/97/216042097.db2.gz MHXHSFCCCSZLJJ-UHFFFAOYSA-N 1 0 337.448 3.813 50 0 EHAARO Fc1cc(F)cc([C@H]2C[N@H+](CC3CCC3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072162172 216050169 /nfs/dbraw/zinc/05/01/69/216050169.db2.gz YXQDXKRIMAZDKK-VAMGGRTRSA-N 1 0 332.438 3.627 50 0 EHAARO COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072154677 216044197 /nfs/dbraw/zinc/04/41/97/216044197.db2.gz XMNPODOFIGQTCN-CYBMUJFWSA-N 1 0 344.842 3.986 50 0 EHAARO CCCn1ncc(C[NH+]2CCC(Oc3ccccc3OC)CC2)c1C ZINC000072156147 216045502 /nfs/dbraw/zinc/04/55/02/216045502.db2.gz SVDXPAFJUJBDDH-UHFFFAOYSA-N 1 0 343.471 3.654 50 0 EHAARO CCc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)on1 ZINC000072157593 216047077 /nfs/dbraw/zinc/04/70/77/216047077.db2.gz OCVCZNXKVMDZDK-PCCBWWKXSA-N 1 0 340.467 3.889 50 0 EHAARO CN(C(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072163674 216051458 /nfs/dbraw/zinc/05/14/58/216051458.db2.gz WTZDICKUHKHBDV-FQEVSTJZSA-N 1 0 349.478 3.782 50 0 EHAARO C[N@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccc(-n2cccn2)cc1 ZINC000072169495 216060449 /nfs/dbraw/zinc/06/04/49/216060449.db2.gz YQLIZYKIMXAGNI-UHFFFAOYSA-N 1 0 349.463 3.956 50 0 EHAARO [NH3+]CCc1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c1 ZINC000072170179 216062748 /nfs/dbraw/zinc/06/27/48/216062748.db2.gz IGGDFKJRWZSHKB-UHFFFAOYSA-N 1 0 343.434 3.738 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000072303387 216142414 /nfs/dbraw/zinc/14/24/14/216142414.db2.gz KSJOIYSPJNXFTN-INIZCTEOSA-N 1 0 337.467 3.669 50 0 EHAARO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000072453772 216241516 /nfs/dbraw/zinc/24/15/16/216241516.db2.gz YVVNKRCQZMRRGN-INIZCTEOSA-N 1 0 345.450 3.899 50 0 EHAARO OCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cccc(F)c2)c1 ZINC000072475840 216252627 /nfs/dbraw/zinc/25/26/27/216252627.db2.gz TXIDMQIGVMTBCL-FQEVSTJZSA-N 1 0 329.415 3.924 50 0 EHAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000023379718 212372678 /nfs/dbraw/zinc/37/26/78/212372678.db2.gz MKEVMNOWKOAPRB-FQEVSTJZSA-N 1 0 326.488 3.973 50 0 EHAARO COc1ccc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1F ZINC000023373127 212372426 /nfs/dbraw/zinc/37/24/26/212372426.db2.gz MTTNCEAOECIPGF-SFHVURJKSA-N 1 0 334.479 3.969 50 0 EHAARO [NH3+]CCN[C@@H](c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000022917504 212334976 /nfs/dbraw/zinc/33/49/76/212334976.db2.gz GHMNCFVNGJNFHU-OAHLLOKOSA-N 1 0 339.664 3.740 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000022784739 212323194 /nfs/dbraw/zinc/32/31/94/212323194.db2.gz UVIMXNIJMVTZLJ-NSHDSACASA-N 1 0 337.366 3.841 50 0 EHAARO CCSC[C@@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000206792313 241052227 /nfs/dbraw/zinc/05/22/27/241052227.db2.gz IRHDAFZYWHWIDM-SFHVURJKSA-N 1 0 347.528 3.900 50 0 EHAARO CCNc1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000216077675 241162735 /nfs/dbraw/zinc/16/27/35/241162735.db2.gz KOWUZGDYMUVLHB-MRXNPFEDSA-N 1 0 330.863 3.941 50 0 EHAARO CCCn1ccnc1CN1CCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000216202960 241174542 /nfs/dbraw/zinc/17/45/42/241174542.db2.gz MRIJCZBOSRZRLJ-IBGZPJMESA-N 1 0 326.488 3.692 50 0 EHAARO Cn1ccnc1CCC[N@H+](C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215439957 241125313 /nfs/dbraw/zinc/12/53/13/241125313.db2.gz KMKGESLSCHCURV-INIZCTEOSA-N 1 0 333.501 3.788 50 0 EHAARO O=C(CC[N@@H+]1CCO[C@H]2CCC[C@H]21)Nc1c(Cl)cccc1Cl ZINC000230082133 242227615 /nfs/dbraw/zinc/22/76/15/242227615.db2.gz QBNJXXSBQIQISL-KGLIPLIRSA-N 1 0 343.254 3.575 50 0 EHAARO Cc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C)CC2)s1 ZINC000020920399 212188550 /nfs/dbraw/zinc/18/85/50/212188550.db2.gz KXDZTOZOHXYYRF-UHFFFAOYSA-N 1 0 328.481 3.599 50 0 EHAARO Cc1nc(CC[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cs1 ZINC000244873238 243090503 /nfs/dbraw/zinc/09/05/03/243090503.db2.gz WMJGJIAPSDLGDJ-KRWDZBQOSA-N 1 0 326.469 3.718 50 0 EHAARO CN1CC[NH+](CCCCOc2ccc(Cc3ccccc3)cc2)CC1 ZINC000020653002 212160066 /nfs/dbraw/zinc/16/00/66/212160066.db2.gz BYSRLFWJDHRRNL-UHFFFAOYSA-N 1 0 338.495 3.684 50 0 EHAARO COc1cc(CNCC[NH+](C)C)c(Cl)cc1OCc1ccccc1 ZINC000020500608 212140045 /nfs/dbraw/zinc/14/00/45/212140045.db2.gz XOQQXLSITYFBPP-UHFFFAOYSA-N 1 0 348.874 3.579 50 0 EHAARO CN(C)c1ncc(C[NH+]2CCC(Cc3ccccc3F)CC2)s1 ZINC000020455926 212131887 /nfs/dbraw/zinc/13/18/87/212131887.db2.gz DEZAWESRQAYPGQ-UHFFFAOYSA-N 1 0 333.476 3.803 50 0 EHAARO COc1ccccc1C[NH2+]CC(O)(c1ccccc1)c1ccccc1 ZINC000020219121 212113997 /nfs/dbraw/zinc/11/39/97/212113997.db2.gz GDZXUIMWDFQDGK-UHFFFAOYSA-N 1 0 333.431 3.721 50 0 EHAARO Cc1c([C@@H](C)[NH2+]Cc2cccnc2)cnn1-c1ccc(F)cc1F ZINC000019741884 212060028 /nfs/dbraw/zinc/06/00/28/212060028.db2.gz AWCMXXXIZMFKTP-GFCCVEGCSA-N 1 0 328.366 3.705 50 0 EHAARO Cc1n[nH]cc1C[NH2+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000078552688 217074209 /nfs/dbraw/zinc/07/42/09/217074209.db2.gz YPSZRSZQANRIHK-LJQANCHMSA-N 1 0 349.413 3.738 50 0 EHAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000078710970 217107513 /nfs/dbraw/zinc/10/75/13/217107513.db2.gz HFPOVOGZZHZILD-MOPGFXCFSA-N 1 0 340.467 3.754 50 0 EHAARO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000078939492 217152844 /nfs/dbraw/zinc/15/28/44/217152844.db2.gz NBNVQFTZDNJGHH-ZDUSSCGKSA-N 1 0 347.256 3.530 50 0 EHAARO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)co2)cc1F ZINC000080961333 217344281 /nfs/dbraw/zinc/34/42/81/217344281.db2.gz UGPIMUXLEUAYRV-ZDUSSCGKSA-N 1 0 344.365 3.723 50 0 EHAARO Cc1cc(C(=O)NCC[NH+]2CCCCC2)sc1-c1ccccc1 ZINC000013327192 211545746 /nfs/dbraw/zinc/54/57/46/211545746.db2.gz BODKKPBPJULHNM-UHFFFAOYSA-N 1 0 328.481 3.939 50 0 EHAARO CSc1ccc(Cl)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000089493831 217805575 /nfs/dbraw/zinc/80/55/75/217805575.db2.gz YVDIUYKXCHSVOX-CYBMUJFWSA-N 1 0 338.904 3.620 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000089949111 217895150 /nfs/dbraw/zinc/89/51/50/217895150.db2.gz OOORNHGEQDVECP-CZUORRHYSA-N 1 0 349.544 3.567 50 0 EHAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2cccnc2)C1 ZINC000012297744 211335495 /nfs/dbraw/zinc/33/54/95/211335495.db2.gz BLBADUBWTBTCEX-LJQANCHMSA-N 1 0 330.859 3.552 50 0 EHAARO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)o1 ZINC000012197803 211317631 /nfs/dbraw/zinc/31/76/31/211317631.db2.gz ADPRHUUZWKLORV-OAHLLOKOSA-N 1 0 341.407 3.666 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2oc3c(ccc(C)c3C)c2C)C1 ZINC000012195247 211316778 /nfs/dbraw/zinc/31/67/78/211316778.db2.gz SUTYGWBBHWLPLD-INIZCTEOSA-N 1 0 328.456 3.914 50 0 EHAARO O=C(c1cccc(Cl)c1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012057342 211284858 /nfs/dbraw/zinc/28/48/58/211284858.db2.gz PUACFPAZUVVCHV-LJQANCHMSA-N 1 0 332.875 3.678 50 0 EHAARO C[C@H](CCCC(C)(C)O)[NH2+]Cc1cn(C)nc1-c1ccccc1F ZINC000012057055 211284686 /nfs/dbraw/zinc/28/46/86/211284686.db2.gz OUCWRBMEMUOKDX-CQSZACIVSA-N 1 0 333.451 3.646 50 0 EHAARO OCC1(C[C@H]2CCCCO2)CC[NH+](CCCc2ccccc2)CC1 ZINC000011996884 211277982 /nfs/dbraw/zinc/27/79/82/211277982.db2.gz DZSJNOHDBQSDMK-HXUWFJFHSA-N 1 0 331.500 3.653 50 0 EHAARO Cc1[nH]c2ccc(C[NH2+]C3CCN(Cc4ccccn4)CC3)cc2c1C ZINC000011874076 211262802 /nfs/dbraw/zinc/26/28/02/211262802.db2.gz NXIKYRCRFUTECL-UHFFFAOYSA-N 1 0 348.494 3.934 50 0 EHAARO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3nsnc3c1)C2 ZINC000091587042 218027010 /nfs/dbraw/zinc/02/70/10/218027010.db2.gz RYZGVMZMSYWKAB-DLBZAZTESA-N 1 0 342.512 3.554 50 0 EHAARO Cc1cccnc1[C@@H]([NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1)C1CC1 ZINC000091707689 218052413 /nfs/dbraw/zinc/05/24/13/218052413.db2.gz VAVAUBAAKOWQMU-FQEVSTJZSA-N 1 0 337.398 3.612 50 0 EHAARO Cc1[nH]c2c(c1CC(=O)NCC[NH+]1CCCCCC1)c(C)ccc2C ZINC000091665603 218044242 /nfs/dbraw/zinc/04/42/42/218044242.db2.gz ZAWMEEGVQOPQTQ-UHFFFAOYSA-N 1 0 341.499 3.628 50 0 EHAARO CCc1cc(C[NH+]2CCC(c3nccn3CC3CCC3)CC2)on1 ZINC000091817714 218069495 /nfs/dbraw/zinc/06/94/95/218069495.db2.gz XWPBTYSMUJGMAB-UHFFFAOYSA-N 1 0 328.460 3.613 50 0 EHAARO CC(=O)c1cc(C[N@@H+]2CC[C@H](Cc3cccc(CO)c3)C2)cs1 ZINC000091724524 218054020 /nfs/dbraw/zinc/05/40/20/218054020.db2.gz HCZUBFGFLYHGMI-MRXNPFEDSA-N 1 0 329.465 3.508 50 0 EHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(F)c(F)cc1Cl)C2 ZINC000091846187 218076519 /nfs/dbraw/zinc/07/65/19/218076519.db2.gz HJNLGWMMTHWNBW-VXGBXAGGSA-N 1 0 342.817 3.565 50 0 EHAARO O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](CC1CCC1)CC2 ZINC000091943215 218092593 /nfs/dbraw/zinc/09/25/93/218092593.db2.gz GAUYZWZPXDXILM-UHFFFAOYSA-N 1 0 348.437 3.579 50 0 EHAARO O=C1CCC2(CC[NH2+]CC2)CN1CC1(c2ccccc2F)CCCC1 ZINC000092099141 218119540 /nfs/dbraw/zinc/11/95/40/218119540.db2.gz IYYUBHMEJAYOCA-UHFFFAOYSA-N 1 0 344.474 3.630 50 0 EHAARO CC(C)[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2C1CCCC1 ZINC000009683064 211113101 /nfs/dbraw/zinc/11/31/01/211113101.db2.gz ZNIZCMXEYXUWBB-UHFFFAOYSA-N 1 0 327.472 3.697 50 0 EHAARO c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)c2)nc1 ZINC000093507518 218228987 /nfs/dbraw/zinc/22/89/87/218228987.db2.gz AGLVPLDYYMJADS-WIYYLYMNSA-N 1 0 338.451 3.662 50 0 EHAARO Cc1nnc([C@H](C)N(C)CC2(C)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000095351046 218284866 /nfs/dbraw/zinc/28/48/66/218284866.db2.gz IFNMTJOUHBFYFN-INIZCTEOSA-N 1 0 342.487 3.673 50 0 EHAARO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCC(C)CC1)c1cnccn1 ZINC000095419245 218359221 /nfs/dbraw/zinc/35/92/21/218359221.db2.gz FUFZRUMWBGZAGW-NVXWUHKLSA-N 1 0 330.501 3.662 50 0 EHAARO CC(C)Oc1ncccc1C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000095415408 218352965 /nfs/dbraw/zinc/35/29/65/218352965.db2.gz HOGCPXRZOONSJC-UHFFFAOYSA-N 1 0 325.387 3.846 50 0 EHAARO NC(=O)c1csc(C[NH2+][C@H](c2cc3ccccc3o2)C2CC2)c1 ZINC000095427540 218369938 /nfs/dbraw/zinc/36/99/38/218369938.db2.gz ZJRGPWNZDDWYFO-KRWDZBQOSA-N 1 0 326.421 3.834 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)c(F)c(F)c1 ZINC000095420494 218360706 /nfs/dbraw/zinc/36/07/06/218360706.db2.gz IIUQBYDTHWOEOJ-UWVGGRQHSA-N 1 0 340.311 3.639 50 0 EHAARO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(N2CCCC2=O)cc1 ZINC000095421938 218364032 /nfs/dbraw/zinc/36/40/32/218364032.db2.gz HYPUWYBJRLNLQK-KUHUBIRLSA-N 1 0 336.435 3.857 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@@H](C)CCc3ccc(O)cc3)CC2)n1 ZINC000095421824 218364207 /nfs/dbraw/zinc/36/42/07/218364207.db2.gz AIBNOALTNOLTGP-AWEZNQCLSA-N 1 0 345.512 3.737 50 0 EHAARO CCCC[NH2+]C[C@H](O)CO[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000006936584 210746188 /nfs/dbraw/zinc/74/61/88/210746188.db2.gz AMAPPELIBOZYKL-LEWJYISDSA-N 1 0 327.468 3.852 50 0 EHAARO Cc1ccc(C)c(NC(=O)Cc2nc(C[NH2+]CC(C)C)cs2)c1 ZINC000006949258 210749105 /nfs/dbraw/zinc/74/91/05/210749105.db2.gz KMQANTHGYIISKN-UHFFFAOYSA-N 1 0 331.485 3.687 50 0 EHAARO O=C1C[C@@H]([C@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccccc1 ZINC000005015848 210362112 /nfs/dbraw/zinc/36/21/12/210362112.db2.gz MIXFAAAACQFFCU-MSOLQXFVSA-N 1 0 338.451 3.736 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(OC)c(Br)c2)cc1 ZINC000005005530 210359429 /nfs/dbraw/zinc/35/94/29/210359429.db2.gz CATXFPQJBNWVGL-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000097233906 219001494 /nfs/dbraw/zinc/00/14/94/219001494.db2.gz FHIODAQWAJXSJX-ZIAGYGMSSA-N 1 0 339.505 3.577 50 0 EHAARO COc1ccccc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12 ZINC000299780835 258089376 /nfs/dbraw/zinc/08/93/76/258089376.db2.gz CZXWAFYDZVTQNU-HLAWJBBLSA-N 1 0 345.483 3.634 50 0 EHAARO Cc1ccc([C@@H]2CC(c3ccccc3O)=NC3(CC[NH+](C)CC3)N2)cc1 ZINC000065298468 258062947 /nfs/dbraw/zinc/06/29/47/258062947.db2.gz JGZMMFSIVHRAQR-IBGZPJMESA-N 1 0 349.478 3.646 50 0 biogenic EHAARO Cc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n([C@H](C)C2CC2)n1 ZINC000299760030 258077100 /nfs/dbraw/zinc/07/71/00/258077100.db2.gz PZNRUDHSVHXRLL-CYBMUJFWSA-N 1 0 347.507 3.593 50 0 EHAARO Cc1ccc(C(=O)N2CCC(CC[NH+]3CCCC3)CC2)n1C(F)F ZINC000299762532 258079416 /nfs/dbraw/zinc/07/94/16/258079416.db2.gz MYBRMDBDJNUCNN-UHFFFAOYSA-N 1 0 339.430 3.530 50 0 EHAARO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](c3ccccc3)C1(C)C)CC2 ZINC000123501229 222288150 /nfs/dbraw/zinc/28/81/50/222288150.db2.gz SAHDQMYOYITBSI-KZNAEPCWSA-N 1 0 338.499 3.888 50 0 EHAARO COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000216547449 536876090 /nfs/dbraw/zinc/87/60/90/536876090.db2.gz YPFHMCSJJWSNGB-LJQANCHMSA-N 1 0 341.451 3.621 50 0 EHAARO COc1ccc(-c2ccc(C[N@H+](C)CCCc3nccn3C)o2)cc1 ZINC000215631249 536896029 /nfs/dbraw/zinc/89/60/29/536896029.db2.gz OBHWPOYDVVFCSD-UHFFFAOYSA-N 1 0 339.439 3.753 50 0 EHAARO C[C@H]([NH2+]CCCc1ccc(Br)cc1F)c1cnccn1 ZINC000095422595 564140068 /nfs/dbraw/zinc/14/00/68/564140068.db2.gz PJHIJSSPMXSKQI-NSHDSACASA-N 1 0 338.224 3.662 50 0 EHAARO Clc1ccc(-c2noc(CSC3=[NH+]C[C@@H]4CCC[C@H]4N3)n2)cc1 ZINC000000137822 563241239 /nfs/dbraw/zinc/24/12/39/563241239.db2.gz SFJSSMLTPZMPFS-WCQYABFASA-N 1 0 348.859 3.751 50 0 EHAARO CC(=O)N1CCC([NH2+]CCC(c2ccccc2)c2ccccc2)CC1 ZINC000000213298 563261482 /nfs/dbraw/zinc/26/14/82/563261482.db2.gz TZLHXHYKIPEIKC-UHFFFAOYSA-N 1 0 336.479 3.809 50 0 EHAARO CC[NH+](CC)CCCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000001834229 563413771 /nfs/dbraw/zinc/41/37/71/563413771.db2.gz YOGRCFGKZFSFHV-OAQYLSRUSA-N 1 0 347.499 3.730 50 0 EHAARO CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)C[NH2+]C ZINC000001844839 563414204 /nfs/dbraw/zinc/41/42/04/563414204.db2.gz IKACRWYHQXOSGM-UTKZUKDTSA-N 1 0 325.452 3.933 50 0 endogenous,in-man EHAARO CC[NH+](CC)CCN(C)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000002162627 563424748 /nfs/dbraw/zinc/42/47/48/563424748.db2.gz LLLMAZNQYCELAP-UHFFFAOYSA-N 1 0 338.451 3.724 50 0 EHAARO O[C@H](C[NH2+]Cc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002927620 563463863 /nfs/dbraw/zinc/46/38/63/563463863.db2.gz CDKKRSGGFNLVQB-GOSISDBHSA-N 1 0 330.431 3.945 50 0 EHAARO Cc1occc1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000071909556 563575150 /nfs/dbraw/zinc/57/51/50/563575150.db2.gz YWZYBQDSJICKBQ-OAHLLOKOSA-N 1 0 341.455 3.613 50 0 EHAARO CCOC(=O)C1CC[NH+](CCOc2ccc(Cl)c(C)c2C)CC1 ZINC000006703491 563581131 /nfs/dbraw/zinc/58/11/31/563581131.db2.gz WIROBGVXURJDBZ-UHFFFAOYSA-N 1 0 339.863 3.611 50 0 EHAARO Cc1ccc(SCC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000032728520 563707886 /nfs/dbraw/zinc/70/78/86/563707886.db2.gz BUSHSTZTSQJZGH-SFHVURJKSA-N 1 0 346.471 3.645 50 0 EHAARO O=C(Cc1cccs1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000032769035 563729859 /nfs/dbraw/zinc/72/98/59/563729859.db2.gz CBTBCPDXQSDXGV-UHFFFAOYSA-N 1 0 328.481 3.593 50 0 EHAARO Cc1ccc2c(CSC3=[NH+][C@H]4CCCC[C@@H]4N3)cc(=O)oc2c1C ZINC000014182582 563747836 /nfs/dbraw/zinc/74/78/36/563747836.db2.gz JJTMBOBZLJNTHY-HOTGVXAUSA-N 1 0 342.464 3.913 50 0 EHAARO CC[N@@H+]1CCC[C@](C(=O)NCc2cccs2)(c2ccccc2)CC1 ZINC000065226083 563764158 /nfs/dbraw/zinc/76/41/58/563764158.db2.gz WFLKWGOECQDCOQ-HXUWFJFHSA-N 1 0 342.508 3.808 50 0 EHAARO OC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000015065189 563775047 /nfs/dbraw/zinc/77/50/47/563775047.db2.gz CXHUYXOFHYSHJL-KRWDZBQOSA-N 1 0 347.462 3.948 50 0 EHAARO Fc1cccc(N[C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000015067006 563775065 /nfs/dbraw/zinc/77/50/65/563775065.db2.gz GSIQZZLFSWRGJU-MRXNPFEDSA-N 1 0 342.443 3.907 50 0 EHAARO Cc1ccccc1-c1cnc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)s1 ZINC000127116461 563822959 /nfs/dbraw/zinc/82/29/59/563822959.db2.gz ICWHKNVSZNYIHK-AWEZNQCLSA-N 1 0 344.484 3.534 50 0 EHAARO CCC(CC)[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020254786 563859088 /nfs/dbraw/zinc/85/90/88/563859088.db2.gz IYJLFYFYLBCFHJ-FQEVSTJZSA-N 1 0 333.495 3.601 50 0 EHAARO CCOc1ccc(Cl)c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)n1 ZINC000069873121 563862612 /nfs/dbraw/zinc/86/26/12/563862612.db2.gz KSERDQXQDOWANB-UHFFFAOYSA-N 1 0 347.846 3.756 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2cc1O)c1ccsc1 ZINC000025329877 563883353 /nfs/dbraw/zinc/88/33/53/563883353.db2.gz HQUFLKQOVKMVPB-QGZVFWFLSA-N 1 0 340.448 3.640 50 0 EHAARO COc1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c1OC ZINC000025356153 563883736 /nfs/dbraw/zinc/88/37/36/563883736.db2.gz BNQSEAKUQSAOGK-OAHLLOKOSA-N 1 0 337.423 3.740 50 0 EHAARO COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000027749433 563899489 /nfs/dbraw/zinc/89/94/89/563899489.db2.gz WSPFPHWIXOFNET-HXUWFJFHSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO O=c1c2ccc(F)cc2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032541117 563913915 /nfs/dbraw/zinc/91/39/15/563913915.db2.gz VKWWACLTUCFTOV-KRWDZBQOSA-N 1 0 343.446 3.723 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000269263432 563920759 /nfs/dbraw/zinc/92/07/59/563920759.db2.gz KAZFBJCDLHBSKX-UNJBNNCHSA-N 1 0 341.282 3.683 50 0 EHAARO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000071915861 563932509 /nfs/dbraw/zinc/93/25/09/563932509.db2.gz UKGHDXPLLDGSOP-VQIMIIECSA-N 1 0 338.455 3.598 50 0 EHAARO Cc1ncc(C[N@H+](C)C[C@H](O)c2ccc(OC(F)(F)F)cc2)s1 ZINC000058005472 563936531 /nfs/dbraw/zinc/93/65/31/563936531.db2.gz YLOHGKZYXZXZCK-AWEZNQCLSA-N 1 0 346.374 3.516 50 0 EHAARO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000058201492 563939656 /nfs/dbraw/zinc/93/96/56/563939656.db2.gz CCIXNIJPHOSKLV-FQEVSTJZSA-N 1 0 337.467 3.598 50 0 EHAARO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2csc(C(C)C)n2)c1 ZINC000058280276 563941487 /nfs/dbraw/zinc/94/14/87/563941487.db2.gz VQSLXDYKAANXFS-UHFFFAOYSA-N 1 0 345.512 3.577 50 0 EHAARO Cc1cccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)Oc2ccccc2)c1 ZINC000058356701 563943524 /nfs/dbraw/zinc/94/35/24/563943524.db2.gz UXVMZEDILWDCBP-LJQANCHMSA-N 1 0 345.464 3.541 50 0 EHAARO CC1CCN(C(=O)C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)CC1 ZINC000058402183 563944887 /nfs/dbraw/zinc/94/48/87/563944887.db2.gz QZWJLXLHWACYIJ-UHFFFAOYSA-N 1 0 339.483 3.606 50 0 EHAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 ZINC000058406619 563945062 /nfs/dbraw/zinc/94/50/62/563945062.db2.gz RXXDTNDINGJELR-ZDUSSCGKSA-N 1 0 340.920 3.811 50 0 EHAARO Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000096435330 563952457 /nfs/dbraw/zinc/95/24/57/563952457.db2.gz JLXZQICAHNUBPQ-SFHVURJKSA-N 1 0 345.487 3.622 50 0 EHAARO Cc1cc2cc(CNC3CC[NH+](C[C@H]4CCOC4)CC3)oc2cc1C ZINC000096453983 563953840 /nfs/dbraw/zinc/95/38/40/563953840.db2.gz BRHWAGYLNHUOKE-QGZVFWFLSA-N 1 0 342.483 3.640 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)c1nc(C(C)C)ncc1Cl ZINC000096482513 563955275 /nfs/dbraw/zinc/95/52/75/563955275.db2.gz QSZGWPYPRCQTLY-UHFFFAOYSA-N 1 0 332.835 3.615 50 0 EHAARO c1ccc(CNc2ncc(C[N@H+]3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3)cn2)cc1 ZINC000071735631 563964864 /nfs/dbraw/zinc/96/48/64/563964864.db2.gz PDUQYEZCAQXBIR-FGYAAKKASA-N 1 0 334.467 3.567 50 0 EHAARO CCc1[nH]c2ccc(CNC(=O)[C@H]3CCCCC[N@@H+]3C)cc2c1C ZINC000071721696 563964877 /nfs/dbraw/zinc/96/48/77/563964877.db2.gz IXBFTDXGSPLBJP-LJQANCHMSA-N 1 0 327.472 3.529 50 0 EHAARO CC[NH+](CC)Cc1cc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c(C)o1 ZINC000071767979 563965576 /nfs/dbraw/zinc/96/55/76/563965576.db2.gz SRMNLUGFFSUGEH-FDCRZUCXSA-N 1 0 330.472 3.548 50 0 EHAARO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(Cl)cc1 ZINC000097034243 563966905 /nfs/dbraw/zinc/96/69/05/563966905.db2.gz JVHXYBBXHNRBJZ-OAUYIBNBSA-N 1 0 326.831 3.870 50 0 EHAARO OC[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000097143587 563968226 /nfs/dbraw/zinc/96/82/26/563968226.db2.gz UFQWGXKSRFFOTG-IOJLRTSASA-N 1 0 345.870 3.793 50 0 EHAARO COc1ccc2ccccc2c1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000097159477 563968326 /nfs/dbraw/zinc/96/83/26/563968326.db2.gz HVTBRFWJMCLXTL-UHFFFAOYSA-N 1 0 344.418 3.923 50 0 EHAARO Cc1nc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077339630 563969032 /nfs/dbraw/zinc/96/90/32/563969032.db2.gz QNNPNRYSQYURPO-SFHVURJKSA-N 1 0 343.496 3.881 50 0 EHAARO C/C=C/C[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077534972 563970232 /nfs/dbraw/zinc/97/02/32/563970232.db2.gz MKAJTFZMAPBIEV-ATKOVBFVSA-N 1 0 326.484 3.510 50 0 EHAARO COc1ccc(/C=C/C[N@@H+]2CCCC[C@H]2CCc2nccn2C)cc1 ZINC000077554917 563970324 /nfs/dbraw/zinc/97/03/24/563970324.db2.gz CITLRPNRMJCOIU-UEKDZROGSA-N 1 0 339.483 3.929 50 0 EHAARO CC(C)Oc1ccccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000097037775 563971302 /nfs/dbraw/zinc/97/13/02/563971302.db2.gz ZHSQIGYWPABERX-UHFFFAOYSA-N 1 0 325.456 3.945 50 0 EHAARO O=C1Nc2ccccc2NC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000082121928 563972529 /nfs/dbraw/zinc/97/25/29/563972529.db2.gz HCQMLIDQZYFSBB-UHFFFAOYSA-N 1 0 341.842 3.739 50 0 EHAARO Cc1ccccc1NC(=O)N1CCC(C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000033312157 563973555 /nfs/dbraw/zinc/97/35/55/563973555.db2.gz WPUKTLCWXRWYLT-INIZCTEOSA-N 1 0 329.488 3.971 50 0 EHAARO Cc1ccc(NC(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000033312154 563973582 /nfs/dbraw/zinc/97/35/82/563973582.db2.gz QXLKZDCTPFEFCJ-QGZVFWFLSA-N 1 0 329.488 3.971 50 0 EHAARO CC(C)[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)C[C@H]1[NH+](C)C ZINC000095517605 563977330 /nfs/dbraw/zinc/97/73/30/563977330.db2.gz XTOBRDPDSUXYHI-JKSUJKDBSA-N 1 0 330.394 3.603 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000257365546 563993330 /nfs/dbraw/zinc/99/33/30/563993330.db2.gz LTOOEIHGCIZVQD-FRGNPEFRSA-N 1 0 349.425 3.744 50 0 EHAARO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000257365678 563993360 /nfs/dbraw/zinc/99/33/60/563993360.db2.gz FYJMLROVGZYTSJ-RDJZCZTQSA-N 1 0 337.427 3.549 50 0 EHAARO CCC[NH+]1CCC(N(C)C(=O)c2sc(C(C)(C)C)nc2C)CC1 ZINC000061413151 563994215 /nfs/dbraw/zinc/99/42/15/563994215.db2.gz ZJCKJEHVQHHLSO-UHFFFAOYSA-N 1 0 337.533 3.695 50 0 EHAARO C[NH+]1CCC(CCC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000426555411 563996327 /nfs/dbraw/zinc/99/63/27/563996327.db2.gz GCGIMTFGKNCUAG-UHFFFAOYSA-N 1 0 342.405 3.700 50 0 EHAARO Cc1csc(-c2ccc(C(=O)N(CC[NH+](C)C)C(C)C)cc2)n1 ZINC000151810777 564004742 /nfs/dbraw/zinc/00/47/42/564004742.db2.gz VFLGEHNKJWTKEQ-UHFFFAOYSA-N 1 0 331.485 3.531 50 0 EHAARO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2[nH]ccc2c1 ZINC000409413925 564012251 /nfs/dbraw/zinc/01/22/51/564012251.db2.gz GIFXCILEIQULKK-UHFFFAOYSA-N 1 0 349.434 3.895 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1F ZINC000107323603 564026850 /nfs/dbraw/zinc/02/68/50/564026850.db2.gz YDYFHXSTGXRCCL-VFVRVIDISA-N 1 0 336.426 3.653 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@H](C)c1ccsc1 ZINC000108083417 564027668 /nfs/dbraw/zinc/02/76/68/564027668.db2.gz KCLQVFQRRTZEIZ-LJHODMEESA-N 1 0 340.492 3.995 50 0 EHAARO CC(C)N(C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000108146047 564027877 /nfs/dbraw/zinc/02/78/77/564027877.db2.gz FFKSPTIXWZPDAW-BBRMVZONSA-N 1 0 341.858 3.522 50 0 EHAARO CN(C)C(=O)COc1cccc(C[NH2+]Cc2cccc3ccccc32)c1 ZINC000048745621 564032134 /nfs/dbraw/zinc/03/21/34/564032134.db2.gz JMVMYUHWBHKQFU-UHFFFAOYSA-N 1 0 348.446 3.597 50 0 EHAARO Cc1cccc(C[C@@H](C)NC(=O)C2([NH+]3CCCCC3)CCCCC2)n1 ZINC000221278242 564036128 /nfs/dbraw/zinc/03/61/28/564036128.db2.gz XQLKVRAKJMCRMQ-GOSISDBHSA-N 1 0 343.515 3.626 50 0 EHAARO CSc1ncc(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cn1 ZINC000223879719 564041030 /nfs/dbraw/zinc/04/10/30/564041030.db2.gz ZOESAXVWTIPQAC-HNNXBMFYSA-N 1 0 331.460 3.792 50 0 EHAARO OC[C@@H](NCc1ccc(Br)o1)c1ccc(Cl)c(F)c1 ZINC000241587949 564052042 /nfs/dbraw/zinc/05/20/42/564052042.db2.gz OYJLJOPDHVGZJA-GFCCVEGCSA-N 1 0 348.599 3.658 50 0 EHAARO CCOC[C@H]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073672043 564061014 /nfs/dbraw/zinc/06/10/14/564061014.db2.gz MQLPCSBTINAJPY-INIZCTEOSA-N 1 0 339.439 3.714 50 0 EHAARO COc1cc(C)c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1OC ZINC000083472302 564063304 /nfs/dbraw/zinc/06/33/04/564063304.db2.gz NDDNYOSNDRFBCE-UWJYYQICSA-N 1 0 341.451 3.880 50 0 EHAARO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC(c2ccccc2)CC1 ZINC000084525558 564068499 /nfs/dbraw/zinc/06/84/99/564068499.db2.gz ZAWZYYDRVMMSCA-UHFFFAOYSA-N 1 0 348.446 3.552 50 0 EHAARO O=C(Nc1ncc(-c2ccccc2)s1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000084564636 564068760 /nfs/dbraw/zinc/06/87/60/564068760.db2.gz PUFDEOFFLAFSNN-HUUCEWRRSA-N 1 0 342.468 3.558 50 0 EHAARO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1sccc1Br ZINC000185057906 564072425 /nfs/dbraw/zinc/07/24/25/564072425.db2.gz QZYTZUYZLXJCSS-GXSJLCMTSA-N 1 0 330.247 3.705 50 0 EHAARO C[S@](=O)c1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000085307297 564072491 /nfs/dbraw/zinc/07/24/91/564072491.db2.gz UFITUWFARCFVLL-XMMPIXPASA-N 1 0 348.556 3.558 50 0 EHAARO Cc1ccc(-c2ncc(C[NH2+][C@H]3c4ccccc4C[C@H]3O)s2)cc1 ZINC000085333758 564072679 /nfs/dbraw/zinc/07/26/79/564072679.db2.gz YYJRGZPWUNFCBD-MOPGFXCFSA-N 1 0 336.460 3.866 50 0 EHAARO Nc1nc(Cl)cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000063737704 564076710 /nfs/dbraw/zinc/07/67/10/564076710.db2.gz FAYUCBGEHPTDGW-UHFFFAOYSA-N 1 0 345.878 3.700 50 0 EHAARO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016377676 564081644 /nfs/dbraw/zinc/08/16/44/564081644.db2.gz UCTPXLNORDGYFX-GZBFAFLISA-N 1 0 328.378 3.527 50 0 EHAARO Brc1ccc([C@@H](Cc2ccccn2)[NH2+][C@@H]2CCOC2)cc1 ZINC000346162951 564081674 /nfs/dbraw/zinc/08/16/74/564081674.db2.gz CNTBJFBSUGDZPU-IAGOWNOFSA-N 1 0 347.256 3.506 50 0 EHAARO Cc1ccc(NC(=O)N2CCC[C@@H](Oc3ccncc3)C2)cc1C ZINC000575611199 564082648 /nfs/dbraw/zinc/08/26/48/564082648.db2.gz CDDFINPAGKYNBO-GOSISDBHSA-N 1 0 325.412 3.774 50 0 EHAARO COc1ccc([C@H]2C[NH2+]CCc3c(Cl)c(OC)c(OC)cc32)cc1 ZINC000034065191 564084068 /nfs/dbraw/zinc/08/40/68/564084068.db2.gz MYTZRTXHMVXREA-MRXNPFEDSA-N 1 0 347.842 3.643 50 0 EHAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000090540956 564084640 /nfs/dbraw/zinc/08/46/40/564084640.db2.gz UUJUXCSTNKTQKE-ZYSHUDEJSA-N 1 0 333.497 3.717 50 0 EHAARO COc1ccc([C@@H]([NH2+]C2CCOCC2)c2ccccc2OC)cc1 ZINC000090772234 564086469 /nfs/dbraw/zinc/08/64/69/564086469.db2.gz DPOQNDOMXYFHSF-HXUWFJFHSA-N 1 0 327.424 3.562 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@@H](C)[C@@H]3COc4ccccc43)CC2)n1 ZINC000090845030 564086860 /nfs/dbraw/zinc/08/68/60/564086860.db2.gz BFFHPDGSQVCJEA-YOEHRIQHSA-N 1 0 343.496 3.575 50 0 EHAARO COCc1cccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000245729990 564088821 /nfs/dbraw/zinc/08/88/21/564088821.db2.gz HTYUYRRLJDWJRK-OXQOHEQNSA-N 1 0 325.456 3.551 50 0 EHAARO c1n[nH]cc1[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000092809979 564089064 /nfs/dbraw/zinc/08/90/64/564089064.db2.gz VWLHBHGJOILVRJ-GOSISDBHSA-N 1 0 348.450 3.763 50 0 EHAARO Clc1ccc(-c2ccc(C[NH2+]C[C@H]3CCc4nncn4C3)o2)cc1 ZINC000075605616 564089782 /nfs/dbraw/zinc/08/97/82/564089782.db2.gz ADFCWKXNVGLTLQ-CYBMUJFWSA-N 1 0 342.830 3.544 50 0 EHAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC000089375343 564089919 /nfs/dbraw/zinc/08/99/19/564089919.db2.gz WLJWOZWZZKPKTJ-MSOLQXFVSA-N 1 0 327.497 3.869 50 0 EHAARO CC(C)c1noc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192077241 564089993 /nfs/dbraw/zinc/08/99/93/564089993.db2.gz HPGPYDITURIIHT-UKRRQHHQSA-N 1 0 339.798 3.605 50 0 EHAARO CCc1nc2ccccc2c(NC(=O)C[NH+]2CCC(C)CC2)c1C ZINC000006711298 564090758 /nfs/dbraw/zinc/09/07/58/564090758.db2.gz VZDWFCYNGDKFKC-UHFFFAOYSA-N 1 0 325.456 3.776 50 0 biogenic EHAARO COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(OC)c1OC(F)F ZINC000006560878 564092127 /nfs/dbraw/zinc/09/21/27/564092127.db2.gz AUKBGYSOGCDDDG-UHFFFAOYSA-N 1 0 337.366 3.903 50 0 EHAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000064590861 564092603 /nfs/dbraw/zinc/09/26/03/564092603.db2.gz XSFBNZQVAAAKKT-UHFFFAOYSA-N 1 0 339.414 3.554 50 0 EHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC2CCCCC2)s1 ZINC000426646972 564094303 /nfs/dbraw/zinc/09/43/03/564094303.db2.gz FIFIKCVMTABFTL-UHFFFAOYSA-N 1 0 337.533 3.710 50 0 EHAARO CCc1cc(Cl)ccc1NC(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000426674373 564094351 /nfs/dbraw/zinc/09/43/51/564094351.db2.gz YOYDBAHLUQBWBT-OAHLLOKOSA-N 1 0 332.835 3.909 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000006882186 564100661 /nfs/dbraw/zinc/10/06/61/564100661.db2.gz ABFYATCPCMNGPM-HNNXBMFYSA-N 1 0 349.434 3.709 50 0 EHAARO CCCC[NH2+]C[C@@H](O)CO[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000006936580 564101853 /nfs/dbraw/zinc/10/18/53/564101853.db2.gz AMAPPELIBOZYKL-RTWAWAEBSA-N 1 0 327.468 3.852 50 0 EHAARO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC000170070139 564105181 /nfs/dbraw/zinc/10/51/81/564105181.db2.gz BTZLNNULIIMHLU-RTWAWAEBSA-N 1 0 349.478 3.552 50 0 EHAARO CCSc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000170591713 564108830 /nfs/dbraw/zinc/10/88/30/564108830.db2.gz RMMOZHBHVYIDDS-OAHLLOKOSA-N 1 0 333.501 3.748 50 0 EHAARO CC(C)(C)c1nc2cc(NC(=O)C3CC[NH+](C4CC4)CC3)ccc2o1 ZINC000170615866 564110014 /nfs/dbraw/zinc/11/00/14/564110014.db2.gz SUMSXKHNSBHBJQ-UHFFFAOYSA-N 1 0 341.455 3.938 50 0 EHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000076057709 564115117 /nfs/dbraw/zinc/11/51/17/564115117.db2.gz AZKIADNHMUETQB-DYVFJYSZSA-N 1 0 332.419 3.555 50 0 EHAARO CCCN(CC[NH+](C)C)C(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000089958893 564115854 /nfs/dbraw/zinc/11/58/54/564115854.db2.gz ZHNYMKAZPNFNDJ-HXUWFJFHSA-N 1 0 340.467 3.607 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2SC(C)C)C1 ZINC000089960853 564115914 /nfs/dbraw/zinc/11/59/14/564115914.db2.gz SOSRGLVZICSBNK-HNNXBMFYSA-N 1 0 335.517 3.993 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]CCc2nc(-c3ccccn3)cs2)c(C)n1 ZINC000090044362 564116176 /nfs/dbraw/zinc/11/61/76/564116176.db2.gz VCWDSGBGAPVFIP-LBPRGKRZSA-N 1 0 339.468 3.505 50 0 EHAARO CSC1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CCOCC1 ZINC000090113820 564116279 /nfs/dbraw/zinc/11/62/79/564116279.db2.gz PREGHAZMVIVDPM-CQSZACIVSA-N 1 0 327.490 3.864 50 0 EHAARO COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000221865905 564117691 /nfs/dbraw/zinc/11/76/91/564117691.db2.gz BBEFYVLAPSZLPP-UIAACRFSSA-N 1 0 338.451 3.695 50 0 EHAARO COc1ccc(-c2cc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)sc2C)cc1 ZINC000237405390 564117714 /nfs/dbraw/zinc/11/77/14/564117714.db2.gz MMKCNJJZBXDGAV-DOMZBBRYSA-N 1 0 344.480 3.684 50 0 EHAARO COc1ccc(-c2cc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)sc2C)cc1 ZINC000237405175 564117716 /nfs/dbraw/zinc/11/77/16/564117716.db2.gz MMKCNJJZBXDGAV-IUODEOHRSA-N 1 0 344.480 3.684 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000252492647 564119604 /nfs/dbraw/zinc/11/96/04/564119604.db2.gz MRKKQYVAEFSEQB-NQIIRXRSSA-N 1 0 349.478 3.689 50 0 EHAARO c1nnc([C@@H]2CCC[N@@H+](CCSC3CCCCC3)C2)n1C1CC1 ZINC000252495791 564119652 /nfs/dbraw/zinc/11/96/52/564119652.db2.gz PAFAULYVLZWLBE-OAHLLOKOSA-N 1 0 334.533 3.858 50 0 EHAARO C[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(Cl)s1 ZINC000252499624 564119845 /nfs/dbraw/zinc/11/98/45/564119845.db2.gz SCYMDXDFDXDXOC-NSHDSACASA-N 1 0 334.872 3.581 50 0 EHAARO C[NH2+]C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000170677531 564121381 /nfs/dbraw/zinc/12/13/81/564121381.db2.gz YALGCBFDAKOAOC-KDOFPFPSSA-N 1 0 330.859 3.596 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C)c1 ZINC000195529442 564123588 /nfs/dbraw/zinc/12/35/88/564123588.db2.gz LVHQGMXFEAFZEM-UXHICEINSA-N 1 0 325.452 3.880 50 0 EHAARO CCc1nc(C)cc(N2CCC[C@@H]2c2cc(OC)ccc2OC)n1 ZINC000253419303 564130940 /nfs/dbraw/zinc/13/09/40/564130940.db2.gz LDPLZPMQXSAKRK-MRXNPFEDSA-N 1 0 327.428 3.706 50 0 EHAARO CC[NH+](CC)Cc1nc2c(c(=O)[nH]1)C(CC)(CC)Cc1ccccc1-2 ZINC000013119456 564136047 /nfs/dbraw/zinc/13/60/47/564136047.db2.gz NSGYIRUDWOZKRF-UHFFFAOYSA-N 1 0 339.483 3.893 50 0 EHAARO COc1ccc2sc(/C=C/c3ccc4c(c3)OCO4)[n+](C)c2c1 ZINC000013361822 564136243 /nfs/dbraw/zinc/13/62/43/564136243.db2.gz LTTQZHNMLVEYBB-XBXARRHUSA-N 1 0 326.397 3.634 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)[C@@H](C)C1 ZINC000078897309 564137368 /nfs/dbraw/zinc/13/73/68/564137368.db2.gz LRNPDSCZSIVMKO-OXJNMPFZSA-N 1 0 344.499 3.745 50 0 EHAARO CC1CCN(c2c3ccccc3oc(=O)c2C[NH+]2CCCC2)CC1 ZINC000020177758 564138841 /nfs/dbraw/zinc/13/88/41/564138841.db2.gz PEPNXGQCOWYINT-UHFFFAOYSA-N 1 0 326.440 3.625 50 0 EHAARO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1O ZINC000095466692 564141034 /nfs/dbraw/zinc/14/10/34/564141034.db2.gz CELKOTBIWUOQPF-CVEARBPZSA-N 1 0 345.405 3.857 50 0 EHAARO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000095968006 564143128 /nfs/dbraw/zinc/14/31/28/564143128.db2.gz PVRSDEODIZQDRU-OLZOCXBDSA-N 1 0 327.428 3.830 50 0 EHAARO CC(C)Oc1ncccc1C[NH2+][C@@H](C)CCc1n[nH]c2ccccc12 ZINC000096008169 564144578 /nfs/dbraw/zinc/14/45/78/564144578.db2.gz KUWXCAHYYYILQS-HNNXBMFYSA-N 1 0 338.455 3.856 50 0 EHAARO CCOc1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000096026553 564144962 /nfs/dbraw/zinc/14/49/62/564144962.db2.gz FTXZUZQLYJWBEX-UHFFFAOYSA-N 1 0 333.476 3.863 50 0 EHAARO O[C@H](C[NH2+]Cc1csc(-c2cccs2)n1)c1cccc(F)c1 ZINC000096403970 564147200 /nfs/dbraw/zinc/14/72/00/564147200.db2.gz SEKHMYPPGVAATO-CQSZACIVSA-N 1 0 334.441 3.834 50 0 EHAARO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000096476411 564148436 /nfs/dbraw/zinc/14/84/36/564148436.db2.gz YIXVOPFFROGIKW-QWJLCTJOSA-N 1 0 347.480 3.853 50 0 EHAARO C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(OCc2nccn2C)cc1 ZINC000096479282 564148566 /nfs/dbraw/zinc/14/85/66/564148566.db2.gz RCFQAZVHWTWOSF-WMLDXEAASA-N 1 0 331.485 3.545 50 0 EHAARO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000226170362 564151655 /nfs/dbraw/zinc/15/16/55/564151655.db2.gz FFWOYTOSUZFZMF-QWFCFKBJSA-N 1 0 349.515 3.544 50 0 EHAARO CCC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CC1CC1 ZINC000002645864 564151788 /nfs/dbraw/zinc/15/17/88/564151788.db2.gz ARYYTFWWDVPXAL-CQSZACIVSA-N 1 0 332.271 3.855 50 0 EHAARO Cc1sc2ncnc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2c1C ZINC000007980964 564161706 /nfs/dbraw/zinc/16/17/06/564161706.db2.gz VSXRMURGJRAOCU-INIZCTEOSA-N 1 0 338.480 3.995 50 0 in-vitro EHAARO C[C@@H]1CCc2sc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2C1 ZINC000007981255 564161740 /nfs/dbraw/zinc/16/17/40/564161740.db2.gz SUWMPCSGCGUEOZ-PBHICJAKSA-N 1 0 342.508 3.906 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1F ZINC000066970497 564164868 /nfs/dbraw/zinc/16/48/68/564164868.db2.gz BLNWLARMLAZKBF-HNNXBMFYSA-N 1 0 344.430 3.522 50 0 EHAARO COc1cc(OC)c2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008717259 564166696 /nfs/dbraw/zinc/16/66/96/564166696.db2.gz YZXNEKQFBJISDQ-LBPRGKRZSA-N 1 0 330.428 3.640 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000069585697 564170695 /nfs/dbraw/zinc/17/06/95/564170695.db2.gz UDLCVVUVZHRAIT-UXHICEINSA-N 1 0 339.483 3.576 50 0 EHAARO O=C(c1ccccn1)N1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000071841969 564175861 /nfs/dbraw/zinc/17/58/61/564175861.db2.gz SERBAIDFBWKPPS-NRFANRHFSA-N 1 0 349.478 3.598 50 0 EHAARO Cc1nc2ccccc2cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172419256 1032668729 /nfs/dbraw/zinc/66/87/29/1032668729.db2.gz JAISHYFVKROVBZ-UHFFFAOYSA-N 1 0 337.467 3.634 50 0 EHAARO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000019635590 1018038526 /nfs/dbraw/zinc/03/85/26/1018038526.db2.gz KGZNAOHDVRKGAE-FQEVSTJZSA-N 1 0 327.516 3.524 50 0 EHAARO CC(C)(CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000262105749 1023289265 /nfs/dbraw/zinc/28/92/65/1023289265.db2.gz UCSOJHZBWNBINN-UHFFFAOYSA-N 1 0 343.496 3.917 50 0 EHAARO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3sncc3c2)CC1 ZINC000194296224 1025203151 /nfs/dbraw/zinc/20/31/51/1025203151.db2.gz UNCIVPUQUVRLDC-UHFFFAOYSA-N 1 0 346.500 3.882 50 0 EHAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc(-c2ccccc2)[nH]n1 ZINC000029415630 1027503988 /nfs/dbraw/zinc/50/39/88/1027503988.db2.gz XTSSAOKFOZVHHP-UHFFFAOYSA-N 1 0 346.434 3.925 50 0 EHAARO CCCO[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2F)C1 ZINC000023251338 1034513286 /nfs/dbraw/zinc/51/32/86/1034513286.db2.gz GXXFXVLSCZFEGF-INIZCTEOSA-N 1 0 347.434 3.615 50 0 EHAARO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000194928793 1035135699 /nfs/dbraw/zinc/13/56/99/1035135699.db2.gz HXUZQDGZFDNJPL-FQEVSTJZSA-N 1 0 343.471 3.636 50 0 EHAARO O=C(Nc1cccc(-c2cnco2)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177683877 1035320546 /nfs/dbraw/zinc/32/05/46/1035320546.db2.gz IHOQRKKTULLTCP-MRXNPFEDSA-N 1 0 339.439 3.935 50 0 EHAARO O=c1c2ccccc2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032577714 1035977909 /nfs/dbraw/zinc/97/79/09/1035977909.db2.gz WPJSUSAEMWUDBL-KRWDZBQOSA-N 1 0 325.456 3.584 50 0 EHAARO c1cn(C[C@H]2CC[NH2+]C2)nc1-c1cccc(-c2ccc3c(c2)OCO3)c1 ZINC000023580832 1035993344 /nfs/dbraw/zinc/99/33/44/1035993344.db2.gz ZTNZMOKPQKGKSQ-HNNXBMFYSA-N 1 0 347.418 3.555 50 0 EHAARO COC1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCCCC1 ZINC000187444424 1037352371 /nfs/dbraw/zinc/35/23/71/1037352371.db2.gz LZNHTGWWWGZWSR-LJQANCHMSA-N 1 0 333.472 3.683 50 0 EHAARO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000330877609 1040889311 /nfs/dbraw/zinc/88/93/11/1040889311.db2.gz XPNBYKIRIXCQFW-AEFFLSMTSA-N 1 0 332.488 3.526 50 0 EHAARO CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000333283533 1041728918 /nfs/dbraw/zinc/72/89/18/1041728918.db2.gz MXBQFZYGHRDCTB-KURKYZTESA-N 1 0 346.519 3.532 50 0 EHAARO CC(C)c1cc(Br)ccc1OCC[NH2+]C[C@H]1CCCO1 ZINC000004870310 1042555204 /nfs/dbraw/zinc/55/52/04/1042555204.db2.gz VQDDONSKHABMBD-CQSZACIVSA-N 1 0 342.277 3.720 50 0 EHAARO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(OC)cn1 ZINC000888098569 1043261719 /nfs/dbraw/zinc/26/17/19/1043261719.db2.gz LFSFPGHUKCTCSW-FUHWJXTLSA-N 1 0 329.444 3.561 50 0 EHAARO CCOc1ccc2c(c1)[C@@H](Nc1cc(C)nc(C3CC3)n1)CCO2 ZINC000185939998 1127205412 /nfs/dbraw/zinc/20/54/12/1127205412.db2.gz RFNLFKZTAPZGKB-INIZCTEOSA-N 1 0 325.412 3.997 50 0 EHAARO Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]CCn1cccn1 ZINC000180434280 1124002300 /nfs/dbraw/zinc/00/23/00/1124002300.db2.gz JIUVIKIOTAPXDX-CYBMUJFWSA-N 1 0 326.227 3.693 50 0 EHAARO Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cnn2ccccc12 ZINC000180970239 1124470665 /nfs/dbraw/zinc/47/06/65/1124470665.db2.gz IDASYRDYZPVDAK-INIZCTEOSA-N 1 0 327.815 3.991 50 0 EHAARO Cc1ccc(C(=O)N2CCC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)s1 ZINC000575545303 1131568869 /nfs/dbraw/zinc/56/88/69/1131568869.db2.gz GBKQXZRHUMWBDY-OAHLLOKOSA-N 1 0 329.469 3.916 50 0 EHAARO Cc1cnc(-c2ccncc2)n1CC1C[NH+](Cc2cccc(C)c2)C1 ZINC000575550612 1131572842 /nfs/dbraw/zinc/57/28/42/1131572842.db2.gz XGKSQKYAACBWBY-UHFFFAOYSA-N 1 0 332.451 3.694 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581805791 1132367343 /nfs/dbraw/zinc/36/73/43/1132367343.db2.gz FVXMPSFDEKMUFW-SFHVURJKSA-N 1 0 338.455 3.616 50 0 EHAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000581808224 1132370895 /nfs/dbraw/zinc/37/08/95/1132370895.db2.gz YILZOLNVGDQOCM-LJQANCHMSA-N 1 0 337.467 3.865 50 0 EHAARO COCCCn1c(C)cnc1[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581815726 1132372130 /nfs/dbraw/zinc/37/21/30/1132372130.db2.gz HBZQFWQAKKDJIZ-LJQANCHMSA-N 1 0 327.472 3.526 50 0 EHAARO COc1ccc(-n2ccnc2CN2CCC[C@H]2c2ccccn2)cc1 ZINC000065497881 1137217709 /nfs/dbraw/zinc/21/77/09/1137217709.db2.gz QTONDIGWCRCYOZ-IBGZPJMESA-N 1 0 334.423 3.613 50 0 EHAARO COCC[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C(C)(C)C ZINC000511007185 1137471288 /nfs/dbraw/zinc/47/12/88/1137471288.db2.gz AMXPVTLRQMEMQI-BPVAQJAMSA-N 1 0 344.499 3.860 50 0 EHAARO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000952980640 1137484828 /nfs/dbraw/zinc/48/48/28/1137484828.db2.gz DYOQEFCCVQNSJM-INIZCTEOSA-N 1 0 326.488 3.666 50 0 EHAARO Cc1cc(C)c(C[N@H+](C)CC[C@@H]2CCCCO2)c(-n2cccn2)c1 ZINC000952968175 1137485003 /nfs/dbraw/zinc/48/50/03/1137485003.db2.gz AWJYSOQQNSTGID-SFHVURJKSA-N 1 0 327.472 3.880 50 0 EHAARO O=C([C@H]1CCC[N@H+](CCCc2ccccc2)C1)N1CCCCCC1 ZINC000004745278 210267332 /nfs/dbraw/zinc/26/73/32/210267332.db2.gz NZRUILYHRIXQRG-FQEVSTJZSA-N 1 0 328.500 3.734 50 0 EHAARO Cc1cc(NC(=O)CC[NH+]2CCC(C)CC2)ccc1Br ZINC000004743706 210267127 /nfs/dbraw/zinc/26/71/27/210267127.db2.gz HJGASNMDSFLJJP-UHFFFAOYSA-N 1 0 339.277 3.818 50 0 EHAARO O=C(C[NH2+]Cc1cccc2ccccc21)Nc1ccc(F)c(F)c1 ZINC000052537549 214131964 /nfs/dbraw/zinc/13/19/64/214131964.db2.gz VRYMIEODZZHJJM-UHFFFAOYSA-N 1 0 326.346 3.846 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(-c3ccccc3)cs2)N1 ZINC000054426073 214236660 /nfs/dbraw/zinc/23/66/60/214236660.db2.gz YVGMOKFZIMIURU-QGZVFWFLSA-N 1 0 345.431 3.861 50 0 EHAARO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000055119289 214275715 /nfs/dbraw/zinc/27/57/15/214275715.db2.gz PSCFPHSUQYMRID-QGZVFWFLSA-N 1 0 344.499 3.666 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(C)=O)cc1 ZINC000055132956 214278167 /nfs/dbraw/zinc/27/81/67/214278167.db2.gz NXQBVJHNMDOLEE-HXUWFJFHSA-N 1 0 329.415 3.801 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCc2sccc2C1 ZINC000055903262 214348015 /nfs/dbraw/zinc/34/80/15/214348015.db2.gz RCKBDYPCNFDMTE-MRXNPFEDSA-N 1 0 346.521 3.922 50 0 EHAARO CC(C)(C)c1cc(C[NH+]2CCC(C(N)=O)CC2)cc(C(C)(C)C)c1O ZINC000004680880 210246723 /nfs/dbraw/zinc/24/67/23/210246723.db2.gz BJPLVTCIPJVRBG-UHFFFAOYSA-N 1 0 346.515 3.685 50 0 EHAARO C[NH+](C)CCN(C(=O)c1cccc(F)c1)c1nc2ccccc2s1 ZINC000004585266 210226743 /nfs/dbraw/zinc/22/67/43/210226743.db2.gz LYLMIYSLJZHIKV-UHFFFAOYSA-N 1 0 343.427 3.644 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2F)N3)C1 ZINC000004555583 210220910 /nfs/dbraw/zinc/22/09/10/210220910.db2.gz LUZUWNJJYXLVAP-HNNXBMFYSA-N 1 0 331.416 3.694 50 0 EHAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCCN2CCOCC2)o1 ZINC000004488006 210200776 /nfs/dbraw/zinc/20/07/76/210200776.db2.gz OHZICGAFMASLMI-UHFFFAOYSA-N 1 0 348.874 3.720 50 0 EHAARO CCOc1c(Cl)cc(C(=O)NCC[NH+]2CCCCC2)cc1Cl ZINC000004278516 210159882 /nfs/dbraw/zinc/15/98/82/210159882.db2.gz WZWVHFXBDWSRHH-UHFFFAOYSA-N 1 0 345.270 3.608 50 0 EHAARO [NH3+]C[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004240482 210149984 /nfs/dbraw/zinc/14/99/84/210149984.db2.gz ITGBZJASSQWWSB-HNNXBMFYSA-N 1 0 336.435 3.749 50 0 EHAARO CC[NH+]1CCC(CNC(=O)c2cccc3c4c([nH]c32)CCCC4)CC1 ZINC000066454209 215042996 /nfs/dbraw/zinc/04/29/96/215042996.db2.gz LABVXRWNGFSTMP-UHFFFAOYSA-N 1 0 339.483 3.508 50 0 EHAARO COc1ccc([C@H](CNC(=O)c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000003363673 210019114 /nfs/dbraw/zinc/01/91/14/210019114.db2.gz BVHMPXWBWMAZPV-FQEVSTJZSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO Cc1noc(C)c1C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067400478 215140989 /nfs/dbraw/zinc/14/09/89/215140989.db2.gz UQHDWABTTBDYFM-GOSISDBHSA-N 1 0 334.847 3.890 50 0 EHAARO CSc1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000042763127 213532171 /nfs/dbraw/zinc/53/21/71/213532171.db2.gz GMJCOWFBTYHREP-UHFFFAOYSA-N 1 0 326.893 3.666 50 0 EHAARO Cc1nc(CC[NH3+])cc(NCc2csc3ccc(Cl)cc23)n1 ZINC000067696671 215189395 /nfs/dbraw/zinc/18/93/95/215189395.db2.gz LLGQRXGZXRKRNP-UHFFFAOYSA-N 1 0 332.860 3.766 50 0 EHAARO CCC(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000067770680 215207193 /nfs/dbraw/zinc/20/71/93/215207193.db2.gz VKTXGBIPKTUHOP-QFIPXVFZSA-N 1 0 342.527 3.980 50 0 EHAARO Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3-n3cccn3)nc2c1C ZINC000067878470 215237801 /nfs/dbraw/zinc/23/78/01/215237801.db2.gz CJJYGJCYDBJHPI-UHFFFAOYSA-N 1 0 331.423 3.655 50 0 EHAARO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)[C@@H](C)Cc3ncccc3C)cc2c1 ZINC000067909128 215248860 /nfs/dbraw/zinc/24/88/60/215248860.db2.gz OGGFMQLLZWCHIF-INIZCTEOSA-N 1 0 335.451 3.603 50 0 EHAARO [NH3+]CCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000001891572 209804065 /nfs/dbraw/zinc/80/40/65/209804065.db2.gz PONHRBTZRGJPRN-UHFFFAOYSA-N 1 0 332.256 3.950 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@H](C)n1cccn1 ZINC000069372185 215391620 /nfs/dbraw/zinc/39/16/20/215391620.db2.gz LPSBFILJSCURKY-IRXDYDNUSA-N 1 0 336.439 3.596 50 0 EHAARO O=C(NCCC[NH+]1CCCCC1)Nc1ccc(C(F)(F)F)cc1 ZINC000040097871 213263617 /nfs/dbraw/zinc/26/36/17/213263617.db2.gz NYTXARFBVJHRLD-UHFFFAOYSA-N 1 0 329.366 3.703 50 0 EHAARO COc1cccc(-c2noc3c2C[N@@H+]([C@H](C)Cc2cccnc2)CC3)c1 ZINC000039500307 213237905 /nfs/dbraw/zinc/23/79/05/213237905.db2.gz QCIAZJXSRDUNTN-OAHLLOKOSA-N 1 0 349.434 3.735 50 0 EHAARO O=C(NCC[NH+]1CCCCC1)c1cncc(-c2cccc(Cl)c2)c1 ZINC000036346979 213085111 /nfs/dbraw/zinc/08/51/11/213085111.db2.gz DVYHVECGIJMYKT-UHFFFAOYSA-N 1 0 343.858 3.618 50 0 EHAARO Cc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036098733 213064799 /nfs/dbraw/zinc/06/47/99/213064799.db2.gz QPYZXIMXQWXHFD-FQEVSTJZSA-N 1 0 327.468 3.954 50 0 EHAARO Clc1ccc2cccnc2c1C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071876376 215907461 /nfs/dbraw/zinc/90/74/61/215907461.db2.gz ITRWCULNRLTCFV-OAHLLOKOSA-N 1 0 341.846 3.534 50 0 EHAARO Cc1c[nH+]ccc1NCCNc1cc(-c2ccccc2)nc2ccnn21 ZINC000072150960 216039300 /nfs/dbraw/zinc/03/93/00/216039300.db2.gz MKTDDPFJJHCFAH-UHFFFAOYSA-N 1 0 344.422 3.624 50 0 EHAARO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC000072153247 216041762 /nfs/dbraw/zinc/04/17/62/216041762.db2.gz YIZSDYLXVDLVNH-KRWDZBQOSA-N 1 0 338.451 3.956 50 0 EHAARO Cc1nc2ccccc2nc1C[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000072165583 216053891 /nfs/dbraw/zinc/05/38/91/216053891.db2.gz YIGHQYXRXRDVNZ-UHFFFAOYSA-N 1 0 343.434 3.756 50 0 EHAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000072253564 216083578 /nfs/dbraw/zinc/08/35/78/216083578.db2.gz RHQGAFMUXKLTGV-LJQANCHMSA-N 1 0 335.455 3.560 50 0 EHAARO Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000072299577 216138736 /nfs/dbraw/zinc/13/87/36/216138736.db2.gz QLAYVVJWFGQWSO-QGZVFWFLSA-N 1 0 343.496 3.533 50 0 EHAARO CC(=O)c1cccc(C[N@@H+]2CCCC23CCN(c2ccccn2)CC3)c1 ZINC000072407664 216197867 /nfs/dbraw/zinc/19/78/67/216197867.db2.gz PXUUYALHAOABCZ-UHFFFAOYSA-N 1 0 349.478 3.919 50 0 EHAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+](C)C)c(F)c1 ZINC000072435830 216231141 /nfs/dbraw/zinc/23/11/41/216231141.db2.gz SANYGTMTBPCTNC-UHFFFAOYSA-N 1 0 325.387 3.749 50 0 EHAARO Cc1cnccc1C[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000072453862 216241166 /nfs/dbraw/zinc/24/11/66/216241166.db2.gz JGKILJSCHCDDPJ-UHFFFAOYSA-N 1 0 328.366 3.690 50 0 EHAARO CN(Cc1cccc(OCC[NH+]2CCCCC2)c1)Cc1ccccn1 ZINC000215859956 241150315 /nfs/dbraw/zinc/15/03/15/241150315.db2.gz ZJKWOLVCDNJOTP-UHFFFAOYSA-N 1 0 339.483 3.578 50 0 EHAARO Cc1cccc(-c2ncc(C[NH+]3CCC(c4nccn4C)CC3)cn2)c1 ZINC000215543585 241132627 /nfs/dbraw/zinc/13/26/27/241132627.db2.gz XBWWKOOSAKSALT-UHFFFAOYSA-N 1 0 347.466 3.565 50 0 EHAARO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2ccc(-c3cc[nH]n3)s2)C1 ZINC000215648696 241135747 /nfs/dbraw/zinc/13/57/47/241135747.db2.gz RWIQRPKMJGGQOP-LJQANCHMSA-N 1 0 339.464 3.540 50 0 EHAARO c1ccc(Oc2cccc(OCCCCN3CC[NH2+]CC3)c2)cc1 ZINC000022032662 212272451 /nfs/dbraw/zinc/27/24/51/212272451.db2.gz FWXQQZHAIIHDAR-UHFFFAOYSA-N 1 0 326.440 3.543 50 0 EHAARO O=C(NC1CCCCC1)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000021663503 212239135 /nfs/dbraw/zinc/23/91/35/212239135.db2.gz BKTSQPJAKFIZLM-UHFFFAOYSA-N 1 0 347.528 3.722 50 0 EHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000021720753 212244073 /nfs/dbraw/zinc/24/40/73/212244073.db2.gz FEYFGXAIGUQFHD-MRXNPFEDSA-N 1 0 328.412 3.669 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2onc(-c3ccc(C)cc3)c21 ZINC000021715155 212241413 /nfs/dbraw/zinc/24/14/13/212241413.db2.gz BIAJXFGUDMKGBV-UHFFFAOYSA-N 1 0 339.443 3.737 50 0 EHAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000021102256 212207226 /nfs/dbraw/zinc/20/72/26/212207226.db2.gz IKQHROAGINSHAE-UHFFFAOYSA-N 1 0 345.443 3.616 50 0 EHAARO C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000253530121 244007247 /nfs/dbraw/zinc/00/72/47/244007247.db2.gz GLWKVBMAXIHLJD-UKUMXFBISA-N 1 0 349.559 3.732 50 0 biogenic EHAARO C[C@H]1CCC[N@H+](CCC(=O)N(C)Cc2cc3ccccc3s2)C1 ZINC000020271923 212115740 /nfs/dbraw/zinc/11/57/40/212115740.db2.gz HAKDYQIYGSXLNP-HNNXBMFYSA-N 1 0 330.497 3.982 50 0 EHAARO Clc1cccc(-n2cc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cn2)c1 ZINC000020272546 212115835 /nfs/dbraw/zinc/11/58/35/212115835.db2.gz WYISYACMYIEPDV-LJQANCHMSA-N 1 0 344.890 3.586 50 0 EHAARO CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(-c3ccco3)c2)C[C@H]1C(C)C ZINC000077319719 216871659 /nfs/dbraw/zinc/87/16/59/216871659.db2.gz WSZFOJCOOSQLPX-RBUKOAKNSA-N 1 0 326.440 3.539 50 0 EHAARO c1[nH]c2ccccc2c1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019909549 212082778 /nfs/dbraw/zinc/08/27/78/212082778.db2.gz WSJVQTJWVHONKW-UHFFFAOYSA-N 1 0 344.462 3.967 50 0 in-vitro EHAARO Cn1cc(CC[N@H+](C)Cc2c[nH]nc2-c2cccc3ccccc32)cn1 ZINC000019837763 212074702 /nfs/dbraw/zinc/07/47/02/212074702.db2.gz DHZJHXYFQZCZQF-UHFFFAOYSA-N 1 0 345.450 3.638 50 0 EHAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)cc[nH+]1 ZINC000077519147 216926836 /nfs/dbraw/zinc/92/68/36/216926836.db2.gz AJOCTLPDCNMBKH-FQEVSTJZSA-N 1 0 327.472 3.542 50 0 EHAARO OCC[C@H]1C[N@@H+](C2CCCCCCC2)CCN1Cc1ccccc1 ZINC000019741773 212060357 /nfs/dbraw/zinc/06/03/57/212060357.db2.gz HPENFZOLAKXISO-NRFANRHFSA-N 1 0 330.516 3.668 50 0 EHAARO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000079099648 217193559 /nfs/dbraw/zinc/19/35/59/217193559.db2.gz ZZVSTCDPBUPIKY-CYBMUJFWSA-N 1 0 332.831 3.547 50 0 EHAARO Cc1cc(NC(=O)[C@@H]([NH2+]CCc2cccs2)c2ccccc2)no1 ZINC000014169127 211699329 /nfs/dbraw/zinc/69/93/29/211699329.db2.gz NZYFMEYXBDHWKX-KRWDZBQOSA-N 1 0 341.436 3.557 50 0 EHAARO CC(C)[N@H+](C)CC(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000089869460 217866308 /nfs/dbraw/zinc/86/63/08/217866308.db2.gz CXTVCZMBBONGKN-HNNXBMFYSA-N 1 0 343.496 3.694 50 0 EHAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000012459315 211388427 /nfs/dbraw/zinc/38/84/27/211388427.db2.gz URKBFPYXDLNGIK-MRXNPFEDSA-N 1 0 345.874 3.830 50 0 EHAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000012439768 211380987 /nfs/dbraw/zinc/38/09/87/211380987.db2.gz MWXJVFDLCNUUAN-UHFFFAOYSA-N 1 0 340.471 3.705 50 0 EHAARO CC[NH+](CC)C[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421951 211376302 /nfs/dbraw/zinc/37/63/02/211376302.db2.gz KFAPOBCKSGZWIB-AWEZNQCLSA-N 1 0 334.891 3.876 50 0 EHAARO Cc1ccc(C)c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000012225024 211325708 /nfs/dbraw/zinc/32/57/08/211325708.db2.gz PRXCDYZMVWLTGA-XJABCFGWSA-N 1 0 338.495 3.984 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000012170161 211311203 /nfs/dbraw/zinc/31/12/03/211311203.db2.gz VTOTZHZPJYFTJL-OWFIIGRXSA-N 1 0 349.559 3.948 50 0 EHAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](C(C)C)C1 ZINC000012208344 211321158 /nfs/dbraw/zinc/32/11/58/211321158.db2.gz KAVCUINNWJFGAH-SFHVURJKSA-N 1 0 325.399 3.561 50 0 EHAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 ZINC000012073489 211285925 /nfs/dbraw/zinc/28/59/25/211285925.db2.gz UOCAFXNMIYTDTM-GOSISDBHSA-N 1 0 339.483 3.813 50 0 EHAARO C[C@@H](CCCC(C)(C)O)[NH2+]Cc1cn(C)nc1-c1ccccc1F ZINC000012057054 211284593 /nfs/dbraw/zinc/28/45/93/211284593.db2.gz OUCWRBMEMUOKDX-AWEZNQCLSA-N 1 0 333.451 3.646 50 0 EHAARO CCCCc1nc2cc(C(=O)N(CC)CC[NH+](CC)CC)ccc2o1 ZINC000012023127 211279730 /nfs/dbraw/zinc/27/97/30/211279730.db2.gz FEPBRTFSWCYUTN-UHFFFAOYSA-N 1 0 345.487 3.974 50 0 EHAARO OCC1(C[C@@H]2CCCCO2)CC[NH+](CCCc2ccccc2)CC1 ZINC000011996882 211277640 /nfs/dbraw/zinc/27/76/40/211277640.db2.gz DZSJNOHDBQSDMK-FQEVSTJZSA-N 1 0 331.500 3.653 50 0 EHAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011934365 211273080 /nfs/dbraw/zinc/27/30/80/211273080.db2.gz PQEPVQJRYDRCKI-QGZVFWFLSA-N 1 0 329.440 3.890 50 0 EHAARO C[NH+](C)[C@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@H]1CCCO ZINC000091475712 218012336 /nfs/dbraw/zinc/01/23/36/218012336.db2.gz CLRMSTQURDMHBQ-CJNGLKHVSA-N 1 0 345.314 3.518 50 0 EHAARO COCCN1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816236 211250407 /nfs/dbraw/zinc/25/04/07/211250407.db2.gz PJGGMAGHNIDVNI-FQEVSTJZSA-N 1 0 344.524 3.836 50 0 EHAARO Cc1nc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc(N)[nH+]1 ZINC000091656689 218041123 /nfs/dbraw/zinc/04/11/23/218041123.db2.gz WDYABRIWZCCZFM-HXUWFJFHSA-N 1 0 340.471 3.696 50 0 EHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)C3CC3)CC2)C1 ZINC000092077557 218116480 /nfs/dbraw/zinc/11/64/80/218116480.db2.gz JDMIWNRSBLYJLL-IBGZPJMESA-N 1 0 326.484 3.515 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCc1ccccc1Cl ZINC000010311017 211161613 /nfs/dbraw/zinc/16/16/13/211161613.db2.gz ZDXOOOPBRTXNHX-GOSISDBHSA-N 1 0 328.843 3.793 50 0 EHAARO COc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c(SC)cc1OC ZINC000092810671 218170310 /nfs/dbraw/zinc/17/03/10/218170310.db2.gz PHJKRTYANPUEHP-UHFFFAOYSA-N 1 0 347.484 3.528 50 0 EHAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCc2sccc2C1 ZINC000010037013 211144442 /nfs/dbraw/zinc/14/44/42/211144442.db2.gz LVSGUIRUYZENDW-AWEZNQCLSA-N 1 0 332.494 3.531 50 0 EHAARO Cc1cccnc1CN1CCC[C@@H]([N@H+](C)Cc2ncccc2C)CC1 ZINC000093208434 218203734 /nfs/dbraw/zinc/20/37/34/218203734.db2.gz IYCKLPBCVJHUDV-LJQANCHMSA-N 1 0 338.499 3.580 50 0 EHAARO CCCCn1nc(C)c(C[NH2+]CCCC(=O)OC(C)(C)C)c1Cl ZINC000095405182 218340039 /nfs/dbraw/zinc/34/00/39/218340039.db2.gz ZSUUZJYKBRJBND-UHFFFAOYSA-N 1 0 343.899 3.857 50 0 EHAARO CCCc1noc(-c2cccc(C[NH2+]Cc3cccc4c[nH]nc43)c2)n1 ZINC000095409411 218345623 /nfs/dbraw/zinc/34/56/23/218345623.db2.gz VPJVWRAYUUCPSL-UHFFFAOYSA-N 1 0 347.422 3.855 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cc(F)cc(F)c1 ZINC000095419484 218359340 /nfs/dbraw/zinc/35/93/40/218359340.db2.gz PQNYILCKKQWOKL-OAHLLOKOSA-N 1 0 346.421 3.648 50 0 EHAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000095420652 218361865 /nfs/dbraw/zinc/36/18/65/218361865.db2.gz NQBYACFLRUVTGD-INIZCTEOSA-N 1 0 340.442 3.669 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCSc3ccccc32)cn1 ZINC000095420604 218362411 /nfs/dbraw/zinc/36/24/11/218362411.db2.gz CPIIPXMSGZNCQE-KRWDZBQOSA-N 1 0 336.464 3.902 50 0 EHAARO CNC(=O)c1ccc(OC)c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c1 ZINC000096150372 218627802 /nfs/dbraw/zinc/62/78/02/218627802.db2.gz RWHMIJKCEHHXDT-OAHLLOKOSA-N 1 0 338.451 3.879 50 0 EHAARO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)n1cccn1)C1CCOCC1 ZINC000096479135 218854863 /nfs/dbraw/zinc/85/48/63/218854863.db2.gz MQOIBUWZIAIBDU-KSSFIOAISA-N 1 0 333.863 3.531 50 0 EHAARO O[C@@H](COc1ccccc1F)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004990825 210352911 /nfs/dbraw/zinc/35/29/11/210352911.db2.gz CFPXAXQIAUXUOU-LJQANCHMSA-N 1 0 343.442 3.520 50 0 EHAARO Cc1cccc(C2CC([NH2+]Cc3ccccc3CS(C)(=O)=O)C2)c1 ZINC000154239234 224224245 /nfs/dbraw/zinc/22/42/45/224224245.db2.gz AZTJMIXKUOPWSQ-UHFFFAOYSA-N 1 0 343.492 3.575 50 0 EHAARO COc1cc2c(cc1OC)CN(c1cc[nH+]cc1-c1cccnc1)CC2 ZINC000328586890 258046327 /nfs/dbraw/zinc/04/63/27/258046327.db2.gz AIFQRFBZZPLIKV-UHFFFAOYSA-N 1 0 347.418 3.724 50 0 EHAARO Cc1cccc(CSCC(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000039983291 258059499 /nfs/dbraw/zinc/05/94/99/258059499.db2.gz CBYFKDOJKFAYMP-UHFFFAOYSA-N 1 0 342.508 3.606 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccccc3C)C2)cc1=O ZINC000072161301 258064493 /nfs/dbraw/zinc/06/44/93/258064493.db2.gz WVMBKBAYWVZBDL-KRWDZBQOSA-N 1 0 340.467 3.949 50 0 EHAARO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)CCS2 ZINC000191527087 533299775 /nfs/dbraw/zinc/29/97/75/533299775.db2.gz DUMWDXLEKLVEEM-WQVCFCJDSA-N 1 0 333.453 3.927 50 0 EHAARO c1csc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)c1 ZINC000048744119 132429448 /nfs/dbraw/zinc/42/94/48/132429448.db2.gz QOVCWEDTOFTETC-UHFFFAOYSA-N 1 0 335.476 3.996 50 0 EHAARO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1(C)C ZINC000230109799 535371926 /nfs/dbraw/zinc/37/19/26/535371926.db2.gz DJLXGWSJBPPVIH-JFIYKMOQSA-N 1 0 330.472 3.771 50 0 EHAARO CCOC(=O)C1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1 ZINC000000277730 563271429 /nfs/dbraw/zinc/27/14/29/563271429.db2.gz RYACGFJYHXWAHD-UHFFFAOYSA-N 1 0 327.424 3.624 50 0 EHAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000002734590 563447285 /nfs/dbraw/zinc/44/72/85/563447285.db2.gz WUQFXZOONVASPJ-IBGZPJMESA-N 1 0 340.442 3.696 50 0 EHAARO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000071915629 563619283 /nfs/dbraw/zinc/61/92/83/563619283.db2.gz SACHRFHLVBQJIM-IBGZPJMESA-N 1 0 341.430 3.520 50 0 EHAARO O=C(CC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1)N1CCCC1 ZINC000012584684 563663876 /nfs/dbraw/zinc/66/38/76/563663876.db2.gz NVAXIDBBESLKRZ-JUGMSXHOSA-N 1 0 344.474 3.954 50 0 EHAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2CCO)c(C)o1 ZINC000012611919 563664904 /nfs/dbraw/zinc/66/49/04/563664904.db2.gz ZJJFZODRBDUAHC-INIZCTEOSA-N 1 0 344.455 3.786 50 0 EHAARO COCc1ccc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)o1 ZINC000012704889 563667898 /nfs/dbraw/zinc/66/78/98/563667898.db2.gz JXOVYWFJGZSNCS-OAQYLSRUSA-N 1 0 343.467 3.633 50 0 EHAARO CC(=O)c1cccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)c1 ZINC000012701337 563667959 /nfs/dbraw/zinc/66/79/59/563667959.db2.gz PXXKYOHXVKMEKF-CQSZACIVSA-N 1 0 346.434 3.900 50 0 EHAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000014232919 563753182 /nfs/dbraw/zinc/75/31/82/563753182.db2.gz CLNSBHWVSDAEIB-MRXNPFEDSA-N 1 0 335.488 3.823 50 0 EHAARO CSCC[C@@H](C)[N@@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000015064825 563774754 /nfs/dbraw/zinc/77/47/54/563774754.db2.gz SVUUCCCTDHFLLR-GFCCVEGCSA-N 1 0 346.452 3.570 50 0 EHAARO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]C2CCOCC2)cc1C ZINC000015075344 563776449 /nfs/dbraw/zinc/77/64/49/563776449.db2.gz KGTPTEIKPZVKQT-LJQANCHMSA-N 1 0 325.456 3.635 50 0 EHAARO C[N@H+](CCC1CCOCC1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000015077700 563776825 /nfs/dbraw/zinc/77/68/25/563776825.db2.gz PEEZPWFSXNEPOB-UHFFFAOYSA-N 1 0 335.835 3.639 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000032912070 563804895 /nfs/dbraw/zinc/80/48/95/563804895.db2.gz PRDDOLCVXYLAGN-INIZCTEOSA-N 1 0 346.833 3.874 50 0 EHAARO CC[NH+]1CCC(NC(=O)c2c(C)onc2-c2ccccc2Cl)CC1 ZINC000016603458 563816423 /nfs/dbraw/zinc/81/64/23/563816423.db2.gz GWKNCUDKZIUSNL-UHFFFAOYSA-N 1 0 347.846 3.518 50 0 EHAARO CCOc1ccc(Cl)cc1C[NH2+]C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000018086770 563848151 /nfs/dbraw/zinc/84/81/51/563848151.db2.gz AXJHCAXAKVXIRX-BAUKFBFWSA-N 1 0 335.875 3.912 50 0 EHAARO CCn1c2ccccc2nc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072015444 563860440 /nfs/dbraw/zinc/86/04/40/563860440.db2.gz PHLKEVFDWYJFOJ-IBGZPJMESA-N 1 0 348.450 3.659 50 0 EHAARO COc1cccc2cc(C[NH2+]CCc3ccc4c(c3)OCO4)oc21 ZINC000025048077 563880326 /nfs/dbraw/zinc/88/03/26/563880326.db2.gz QRSUNAPZHGQUSD-UHFFFAOYSA-N 1 0 325.364 3.502 50 0 EHAARO C[NH+](C)C1(CNC(=O)CCn2ccc3ccccc32)CCCCCC1 ZINC000025443933 563885180 /nfs/dbraw/zinc/88/51/80/563885180.db2.gz CADGSJFOSJROML-UHFFFAOYSA-N 1 0 341.499 3.802 50 0 EHAARO COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793187 563899500 /nfs/dbraw/zinc/89/95/00/563899500.db2.gz KQEVVYFYVBOLIT-FQEVSTJZSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO CCOCc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000030902778 563911595 /nfs/dbraw/zinc/91/15/95/563911595.db2.gz WAJLJQYXQOQNHS-UHFFFAOYSA-N 1 0 327.453 3.965 50 0 EHAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)cs1 ZINC000072298423 563912403 /nfs/dbraw/zinc/91/24/03/563912403.db2.gz RKOPPLBPBSFRHI-ZDUSSCGKSA-N 1 0 340.290 3.894 50 0 EHAARO CN(CCCC[NH+](C)C)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000072305868 563915399 /nfs/dbraw/zinc/91/53/99/563915399.db2.gz NLJZPCBUZPRJNA-UHFFFAOYSA-N 1 0 332.473 3.616 50 0 EHAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000023281839 563918454 /nfs/dbraw/zinc/91/84/54/563918454.db2.gz HIBJOKIZBDTURP-OAHLLOKOSA-N 1 0 344.842 3.830 50 0 EHAARO Cc1nccn1C[C@H]1CCC[N@@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000043089163 563925215 /nfs/dbraw/zinc/92/52/15/563925215.db2.gz YHNKFBGZWZSVCW-AEFFLSMTSA-N 1 0 337.471 3.514 50 0 EHAARO Cn1ccc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000044917280 563928305 /nfs/dbraw/zinc/92/83/05/563928305.db2.gz NTLJHPUMPYJSDI-UHFFFAOYSA-N 1 0 347.462 3.573 50 0 EHAARO Cc1cccc(CSCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000033028900 563931655 /nfs/dbraw/zinc/93/16/55/563931655.db2.gz QHOKAXSUIWJWPY-IBGZPJMESA-N 1 0 342.508 3.647 50 0 EHAARO Cc1nc2ccc(C(=O)Nc3ccccc3C[NH+](C)C)cc2nc1C ZINC000058005018 563936465 /nfs/dbraw/zinc/93/64/65/563936465.db2.gz UIWJJJXYAZPRAA-UHFFFAOYSA-N 1 0 334.423 3.561 50 0 EHAARO O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000058224916 563940316 /nfs/dbraw/zinc/94/03/16/563940316.db2.gz PCKCZMYLQHBTHT-IBGZPJMESA-N 1 0 345.389 3.593 50 0 EHAARO COc1ccc([C@H](C)CC[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000096478419 563955153 /nfs/dbraw/zinc/95/51/53/563955153.db2.gz VARGGZKFLBRVTA-QGZVFWFLSA-N 1 0 339.483 3.842 50 0 EHAARO Cc1ccc(C[N@H+](CCCO)Cc2ccc3cccc(O)c3n2)s1 ZINC000063856462 563956251 /nfs/dbraw/zinc/95/62/51/563956251.db2.gz DSHAMUNOLURQHH-UHFFFAOYSA-N 1 0 342.464 3.695 50 0 EHAARO CCc1nccc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 ZINC000065396643 563959749 /nfs/dbraw/zinc/95/97/49/563959749.db2.gz IJPZLADMZLWZJA-LEWJYISDSA-N 1 0 347.462 3.543 50 0 EHAARO Cc1csc(SCc2nc(C3CC3)nn2-c2cc[nH+]cc2C)n1 ZINC000065429734 563960811 /nfs/dbraw/zinc/96/08/11/563960811.db2.gz CPQKFANBXHAVBP-UHFFFAOYSA-N 1 0 343.481 3.905 50 0 EHAARO CC[N@@H+]1CCC[C@H]1Cn1ccnc1-c1cnc(C2CCCCC2)nc1 ZINC000071575378 563964575 /nfs/dbraw/zinc/96/45/75/563964575.db2.gz DUOOYWXMECECRW-SFHVURJKSA-N 1 0 339.487 3.872 50 0 EHAARO COCc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cn1 ZINC000071614752 563964675 /nfs/dbraw/zinc/96/46/75/563964675.db2.gz WBOLNEOPRBPBRK-KRWDZBQOSA-N 1 0 343.446 3.607 50 0 EHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)CCC(F)(F)F ZINC000077354041 563969149 /nfs/dbraw/zinc/96/91/49/563969149.db2.gz AZPLHJULPRJIQY-UHFFFAOYSA-N 1 0 342.405 3.700 50 0 EHAARO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OC3CCCC3)cc2)C[C@H]1C(C)C ZINC000077393575 563969434 /nfs/dbraw/zinc/96/94/34/563969434.db2.gz RGAJDZBIZDTIOW-LEWJYISDSA-N 1 0 344.499 3.601 50 0 EHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3cc4ccccc4o3)C2)CN1C1CC1 ZINC000077503746 563970030 /nfs/dbraw/zinc/97/00/30/563970030.db2.gz GSXDVHHZBCEMII-OAQYLSRUSA-N 1 0 338.451 3.800 50 0 EHAARO COc1ccccc1/C=C/C[N@@H+]1CCCC[C@H]1CCn1ccnc1 ZINC000077516450 563970131 /nfs/dbraw/zinc/97/01/31/563970131.db2.gz VDGJVXROOXVNCZ-FNQPIQQGSA-N 1 0 325.456 3.850 50 0 EHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000077541745 563970279 /nfs/dbraw/zinc/97/02/79/563970279.db2.gz FOYPLVUPKVKTKO-GOSISDBHSA-N 1 0 349.482 3.888 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H](C[C@H](C)O)c2ccccc2)c1 ZINC000097228491 563970625 /nfs/dbraw/zinc/97/06/25/563970625.db2.gz IOSBXVZHCTUGDU-FTRWYGJKSA-N 1 0 340.467 3.850 50 0 EHAARO c1c(CC[NH2+][C@@H](c2ccccc2)c2ccncc2)nc2ccccn12 ZINC000097233868 563970785 /nfs/dbraw/zinc/97/07/85/563970785.db2.gz XYZPTVSIPQRAEH-NRFANRHFSA-N 1 0 328.419 3.651 50 0 EHAARO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C3OCCO3)cc2)cc1 ZINC000097016948 563970967 /nfs/dbraw/zinc/97/09/67/563970967.db2.gz LLDVLEFAAIOMFR-HNNXBMFYSA-N 1 0 327.424 3.982 50 0 EHAARO CC(C)c1cnc(-c2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2)o1 ZINC000097052165 563971825 /nfs/dbraw/zinc/97/18/25/563971825.db2.gz GGSOAMYDOZHVIG-UHFFFAOYSA-N 1 0 342.443 3.634 50 0 EHAARO CC[C@H]1CN(C(=O)c2ccc(-c3ccco3)cc2)CC[N@@H+]1C(C)C ZINC000082127117 563972547 /nfs/dbraw/zinc/97/25/47/563972547.db2.gz ZYHPYQLNUWYBSZ-SFHVURJKSA-N 1 0 326.440 3.891 50 0 EHAARO CS(=O)(=O)c1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000096163163 563979895 /nfs/dbraw/zinc/97/98/95/563979895.db2.gz BHRXWXSSLGABFI-UHFFFAOYSA-N 1 0 329.465 3.743 50 0 EHAARO CC(C)CC[N@H+](C)C1CCN(C(=S)Nc2ccccc2F)CC1 ZINC000000261682 563989750 /nfs/dbraw/zinc/98/97/50/563989750.db2.gz VJUSIEVPTUCKCN-UHFFFAOYSA-N 1 0 337.508 3.965 50 0 EHAARO C[C@H](CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1C(F)(F)F ZINC000237416232 563992177 /nfs/dbraw/zinc/99/21/77/563992177.db2.gz FQULFCMFMSWKTK-RDBSUJKOSA-N 1 0 342.405 3.785 50 0 EHAARO Cn1c2ccccc2nc1[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1 ZINC000408514309 563992845 /nfs/dbraw/zinc/99/28/45/563992845.db2.gz CQEIKGLZZGTEBU-OXQOHEQNSA-N 1 0 335.451 3.679 50 0 EHAARO Cc1oc2nc(C[NH2+][C@H]3CCC[C@H]3c3ccccc3)nc(N)c2c1C ZINC000133810991 563996478 /nfs/dbraw/zinc/99/64/78/563996478.db2.gz XICBFCIABKVPGB-HOTGVXAUSA-N 1 0 336.439 3.848 50 0 EHAARO COc1ccc([C@@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1F ZINC000033883907 563999899 /nfs/dbraw/zinc/99/98/99/563999899.db2.gz RZXCWNNAJOUUQF-FXAWDEMLSA-N 1 0 329.415 3.747 50 0 EHAARO C[C@H]1C[C@H]1c1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000078756207 564000935 /nfs/dbraw/zinc/00/09/35/564000935.db2.gz KMEREEMGHFGIQE-XJKSGUPXSA-N 1 0 332.488 3.761 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000005452025 564004180 /nfs/dbraw/zinc/00/41/80/564004180.db2.gz MKVUIKWSPDAFCI-OAHLLOKOSA-N 1 0 336.435 3.525 50 0 EHAARO C[C@@H](CC[C@@H]1CC1(Cl)Cl)[NH2+]Cc1nncn1-c1ccccc1 ZINC000583650748 564018273 /nfs/dbraw/zinc/01/82/73/564018273.db2.gz AGGRYYFKNADSCU-QWHCGFSZSA-N 1 0 339.270 3.719 50 0 EHAARO O[C@](c1ccccc1)(c1ccccc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000000499320 564018415 /nfs/dbraw/zinc/01/84/15/564018415.db2.gz AZEBCQMVERBYRZ-AZUAARDMSA-N 1 0 327.855 3.918 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)c1ccncc1)C(=O)Nc1ccccc1Br ZINC000181605308 564024341 /nfs/dbraw/zinc/02/43/41/564024341.db2.gz OZPBMGFWLFRILD-NWDGAFQWSA-N 1 0 348.244 3.522 50 0 EHAARO Cc1sc2ncnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1C ZINC000054290218 564026500 /nfs/dbraw/zinc/02/65/00/564026500.db2.gz HCOOCEPUQLAJGA-UHFFFAOYSA-N 1 0 338.480 3.630 50 0 EHAARO Cc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)c2cccs2)cc1 ZINC000107135966 564026831 /nfs/dbraw/zinc/02/68/31/564026831.db2.gz LHXUSGKUSRRYOD-DNVCBOLYSA-N 1 0 328.481 3.604 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000107347577 564026892 /nfs/dbraw/zinc/02/68/92/564026892.db2.gz AZVIFFSLBDTHGX-YADHBBJMSA-N 1 0 348.490 3.915 50 0 EHAARO C[C@@H]1[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000108178634 564028018 /nfs/dbraw/zinc/02/80/18/564028018.db2.gz PUMFLHQMSYNRJX-IOMROCGXSA-N 1 0 336.479 3.817 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccoc3)cc2)C1 ZINC000048310006 564030752 /nfs/dbraw/zinc/03/07/52/564030752.db2.gz NIJUDZNVQNDFLN-IYBDPMFKSA-N 1 0 326.440 3.688 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccoc2)C1 ZINC000048343391 564031281 /nfs/dbraw/zinc/03/12/81/564031281.db2.gz CNOQWFCFKIURQC-HOTGVXAUSA-N 1 0 326.440 3.688 50 0 EHAARO CCOc1ccc(/C=C/C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000048355635 564031432 /nfs/dbraw/zinc/03/14/32/564031432.db2.gz KVBDFLXTTRVWOA-DHZHZOJOSA-N 1 0 342.483 3.575 50 0 EHAARO COc1cc(C)c([C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)cc1OC ZINC000048712945 564032080 /nfs/dbraw/zinc/03/20/80/564032080.db2.gz JSYQVWGJKHUUOS-CQSZACIVSA-N 1 0 331.460 3.815 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cn1 ZINC000048782285 564032192 /nfs/dbraw/zinc/03/21/92/564032192.db2.gz JMSCAOVKRXGGDV-UHFFFAOYSA-N 1 0 346.356 3.884 50 0 EHAARO CCC[NH+]1CCN(Cc2cnc(-c3ccc4ccccc4c3)nc2)CC1 ZINC000215934395 564033673 /nfs/dbraw/zinc/03/36/73/564033673.db2.gz FCAGSSXRMZUOGU-UHFFFAOYSA-N 1 0 346.478 3.824 50 0 EHAARO CCNc1ncc(C[N@H+](Cc2cccnc2)C2CCCCC2)cn1 ZINC000220318596 564035851 /nfs/dbraw/zinc/03/58/51/564035851.db2.gz HRASBJYNSDZBSS-UHFFFAOYSA-N 1 0 325.460 3.638 50 0 EHAARO CC(C)OCc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000032674933 564036098 /nfs/dbraw/zinc/03/60/98/564036098.db2.gz CJABPBZYLBWEMV-FQEVSTJZSA-N 1 0 340.467 3.644 50 0 EHAARO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000222291204 564036779 /nfs/dbraw/zinc/03/67/79/564036779.db2.gz CJUATAKIBQBBEQ-WBVHZDCISA-N 1 0 334.423 3.757 50 0 EHAARO Cc1nnsc1CN(C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000222387813 564036842 /nfs/dbraw/zinc/03/68/42/564036842.db2.gz XTIZCQAPMKCGEC-UHFFFAOYSA-N 1 0 336.530 3.526 50 0 EHAARO O=C(O[C@@H]1CCc2cccnc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000225604166 564048302 /nfs/dbraw/zinc/04/83/02/564048302.db2.gz JVYFALCMWKTLIV-LJQANCHMSA-N 1 0 336.435 3.912 50 0 EHAARO O[C@H](c1ccc(F)cc1)C1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000225638644 564048812 /nfs/dbraw/zinc/04/88/12/564048812.db2.gz USSXGFOVFLPNGE-JOCHJYFZSA-N 1 0 339.454 3.986 50 0 EHAARO Brc1ccccc1-c1nnc(C[NH+]2CCCCCC2)o1 ZINC000030824643 564049837 /nfs/dbraw/zinc/04/98/37/564049837.db2.gz VMJBRZDFTIBXBH-UHFFFAOYSA-N 1 0 336.233 3.875 50 0 EHAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1nc(C)cc(-c2ccccc2)n1 ZINC000244858651 564052307 /nfs/dbraw/zinc/05/23/07/564052307.db2.gz VPKVVBMELXTWBC-UHFFFAOYSA-N 1 0 349.482 3.857 50 0 EHAARO O=C(CCc1ccccc1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971579 564058851 /nfs/dbraw/zinc/05/88/51/564058851.db2.gz YCZJXEFFBHGKHC-UHFFFAOYSA-N 1 0 342.508 3.709 50 0 EHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3[nH]c4ccccc4c3C)[C@H]2C1 ZINC000299774269 564060810 /nfs/dbraw/zinc/06/08/10/564060810.db2.gz BHJJWVFKQWGFBL-UIAACRFSSA-N 1 0 328.456 3.635 50 0 EHAARO Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@H](C)c1ccsc1 ZINC000083473584 564063302 /nfs/dbraw/zinc/06/33/02/564063302.db2.gz AVLMOXLIPGCGAK-ZDUSSCGKSA-N 1 0 342.468 3.871 50 0 EHAARO CC[NH+](CC)[C@H](C(=O)N[C@H]1CCCc2occc21)c1ccccc1 ZINC000084771155 564070116 /nfs/dbraw/zinc/07/01/16/564070116.db2.gz GDKXGTXTHQUTMN-HKUYNNGSSA-N 1 0 326.440 3.856 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2ccc3c(c2)CCCC3)C2CC2)CC1 ZINC000084789034 564070213 /nfs/dbraw/zinc/07/02/13/564070213.db2.gz RUDQUELDUIOUNV-UHFFFAOYSA-N 1 0 326.484 3.654 50 0 EHAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1sccc1Br ZINC000185057923 564072430 /nfs/dbraw/zinc/07/24/30/564072430.db2.gz QZYTZUYZLXJCSS-MWLCHTKSSA-N 1 0 330.247 3.705 50 0 EHAARO C[C@@H]([NH2+]C1CCSCC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000090605412 564084886 /nfs/dbraw/zinc/08/48/86/564084886.db2.gz KTZAIRKEMYJSLB-DNVCBOLYSA-N 1 0 335.513 3.797 50 0 EHAARO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccnc(OCC(F)F)c1)CCC2 ZINC000091411500 564087626 /nfs/dbraw/zinc/08/76/26/564087626.db2.gz CZYXBDZIFJDDER-LBPRGKRZSA-N 1 0 339.411 3.658 50 0 EHAARO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)C[C@@H]2[C@H]1c1ccccc1 ZINC000241466207 564088351 /nfs/dbraw/zinc/08/83/51/564088351.db2.gz NVOFFOINPHZWON-LKUPVBHCSA-N 1 0 345.446 3.543 50 0 EHAARO O=C(C[NH2+]CCc1ccc(F)cc1)Nc1c(Cl)cccc1Cl ZINC000002647474 564089139 /nfs/dbraw/zinc/08/91/39/564089139.db2.gz QTUDXWYYTVNSRJ-UHFFFAOYSA-N 1 0 341.213 3.903 50 0 EHAARO C[S@@](=O)c1ccc(CNc2ccccc2C[NH+]2CCCC2)cc1 ZINC000089493232 564090794 /nfs/dbraw/zinc/09/07/94/564090794.db2.gz YVMFVTSCGBUCIV-QHCPKHFHSA-N 1 0 328.481 3.632 50 0 EHAARO Cc1ccccc1Cn1ccnc1CN(CC1CC1)C(=O)NC(C)C ZINC000035979847 564093226 /nfs/dbraw/zinc/09/32/26/564093226.db2.gz FDHGHLYYQHEALN-UHFFFAOYSA-N 1 0 340.471 3.570 50 0 EHAARO CCn1c([C@H]2CC[N@H+](Cc3sccc3C)C2)nc2cccnc21 ZINC000065285336 564104312 /nfs/dbraw/zinc/10/43/12/564104312.db2.gz ZMZIRLCBRJFSDQ-AWEZNQCLSA-N 1 0 326.469 3.811 50 0 EHAARO CCC[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)Cn3nc(C)cc3C)c2C1 ZINC000065542728 564107337 /nfs/dbraw/zinc/10/73/37/564107337.db2.gz PGNSZHDOYSVCLW-OAHLLOKOSA-N 1 0 340.471 3.643 50 0 EHAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007447532 564108647 /nfs/dbraw/zinc/10/86/47/564108647.db2.gz VIXLMQVGBJMOKM-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO C[C@H]1CCO[C@@H]([C@@H]([N@@H+]2CCSC3(CCCCC3)C2)C(C)(C)O)C1 ZINC000170607460 564109633 /nfs/dbraw/zinc/10/96/33/564109633.db2.gz SSOPRBFADJMCSV-GVDBMIGSSA-N 1 0 341.561 3.693 50 0 EHAARO Cc1cc(F)cc2[nH]c(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cc21 ZINC000170629542 564110621 /nfs/dbraw/zinc/11/06/21/564110621.db2.gz VQILOOCDHZBUFU-ZDUSSCGKSA-N 1 0 345.462 3.856 50 0 EHAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000089688815 564113056 /nfs/dbraw/zinc/11/30/56/564113056.db2.gz NFTONVCQSVEDDH-OAHLLOKOSA-N 1 0 343.446 3.798 50 0 EHAARO O=C1CCCN1C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 ZINC000193008937 564114198 /nfs/dbraw/zinc/11/41/98/564114198.db2.gz GIMDBLWRXVWUHS-MRXNPFEDSA-N 1 0 334.872 3.855 50 0 EHAARO O=c1ccccn1CCCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089878802 564114641 /nfs/dbraw/zinc/11/46/41/564114641.db2.gz XPRBBRMJQQKOKE-UHFFFAOYSA-N 1 0 341.842 3.620 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@H](CC)C1 ZINC000089948845 564115765 /nfs/dbraw/zinc/11/57/65/564115765.db2.gz ZZOTZXQRPSQNCS-QAPCUYQASA-N 1 0 328.456 3.868 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H](CC)C1 ZINC000089948907 564115770 /nfs/dbraw/zinc/11/57/70/564115770.db2.gz YBAZYAUSNUIWBM-GDBMZVCRSA-N 1 0 342.405 3.832 50 0 EHAARO CCOc1cc(Cl)ccc1NC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000089960850 564115893 /nfs/dbraw/zinc/11/58/93/564115893.db2.gz AOGDUTAUPLGFRS-CYBMUJFWSA-N 1 0 339.867 3.544 50 0 EHAARO Clc1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000076395576 564116562 /nfs/dbraw/zinc/11/65/62/564116562.db2.gz IWNODKUOITZRSO-HNNXBMFYSA-N 1 0 326.831 3.762 50 0 EHAARO O=C1NC2(CCCCCCC2)C(=O)N1C[N@H+](C1CC1)C1CCCCC1 ZINC000170639380 564117646 /nfs/dbraw/zinc/11/76/46/564117646.db2.gz CCMVLQQZEKGSHF-UHFFFAOYSA-N 1 0 347.503 3.776 50 0 EHAARO Cc1cc([C@@H]2CCCN2CC(=O)N2CCC[C@H]2c2ccsc2)no1 ZINC000252498258 564119731 /nfs/dbraw/zinc/11/97/31/564119731.db2.gz YCLOZOSKXOUBFE-IRXDYDNUSA-N 1 0 345.468 3.545 50 0 EHAARO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1O ZINC000252510848 564120054 /nfs/dbraw/zinc/12/00/54/564120054.db2.gz CELKOTBIWUOQPF-HZPDHXFCSA-N 1 0 345.405 3.857 50 0 EHAARO C[NH2+]Cc1ccccc1NC(=O)c1cc(Oc2ccccc2)ccn1 ZINC000170676343 564121344 /nfs/dbraw/zinc/12/13/44/564121344.db2.gz AKMUOEPJHHAUDO-UHFFFAOYSA-N 1 0 333.391 3.846 50 0 EHAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 ZINC000194961061 564122637 /nfs/dbraw/zinc/12/26/37/564122637.db2.gz VEXKQRSQEWGHCT-RBZFPXEDSA-N 1 0 342.414 3.675 50 0 EHAARO C[C@H]1c2ccsc2CCN1CC(=O)NCc1cccc(Cl)c1 ZINC000007878937 564124317 /nfs/dbraw/zinc/12/43/17/564124317.db2.gz FYQKCMAZPVAYPY-LBPRGKRZSA-N 1 0 334.872 3.637 50 0 EHAARO CN(C)c1ccc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000013143405 564136073 /nfs/dbraw/zinc/13/60/73/564136073.db2.gz RBXMSAUXWFTAFL-OALUTQOASA-N 1 0 342.870 3.934 50 0 EHAARO FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000278712214 564138702 /nfs/dbraw/zinc/13/87/02/564138702.db2.gz OSUQEXHDNOFSJR-ZDUSSCGKSA-N 1 0 349.360 3.684 50 0 EHAARO C[C@H]([NH2+]Cc1ccnc(OC2CCC(C)CC2)c1)c1cnn(C)c1 ZINC000095422410 564140112 /nfs/dbraw/zinc/14/01/12/564140112.db2.gz ZIZLXELUXWOYOQ-CSLYMUCUSA-N 1 0 328.460 3.623 50 0 EHAARO CC[C@H](CSC)[N@H+](C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000095459554 564140731 /nfs/dbraw/zinc/14/07/31/564140731.db2.gz GRRQLKFVYNJENZ-QGZVFWFLSA-N 1 0 347.532 3.584 50 0 EHAARO COC[C@H]([NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C)C1CC1 ZINC000095466641 564141057 /nfs/dbraw/zinc/14/10/57/564141057.db2.gz IEANMTUEEWFUBU-SFHVURJKSA-N 1 0 332.488 3.887 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000095971524 564143414 /nfs/dbraw/zinc/14/34/14/564143414.db2.gz DUEXNAPTRLTRLA-LSDHHAIUSA-N 1 0 330.378 3.817 50 0 EHAARO CN1CCN(C(=O)Nc2cccc3cccnc32)[C@@H](c2ccccc2)C1 ZINC000096286618 564146356 /nfs/dbraw/zinc/14/63/56/564146356.db2.gz LWGVAOGHOBBRPG-LJQANCHMSA-N 1 0 346.434 3.755 50 0 EHAARO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000096403421 564147171 /nfs/dbraw/zinc/14/71/71/564147171.db2.gz CZEKVIUECITOCN-UHFFFAOYSA-N 1 0 345.450 3.604 50 0 EHAARO CSc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000096405710 564147307 /nfs/dbraw/zinc/14/73/07/564147307.db2.gz UBTRIKCZIHTMRC-UHFFFAOYSA-N 1 0 348.443 3.535 50 0 EHAARO C[N@@H+]1CCC[C@@H](CNC(=O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096409954 564147577 /nfs/dbraw/zinc/14/75/77/564147577.db2.gz JSNCTWAZEPCIQY-HOCLYGCPSA-N 1 0 340.389 3.615 50 0 EHAARO O=C(NCc1ccccc1)C1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000097055511 564149333 /nfs/dbraw/zinc/14/93/33/564149333.db2.gz SJHMQUPNFWFQII-OAQYLSRUSA-N 1 0 348.490 3.745 50 0 EHAARO Cc1ccccc1C1CC([NH2+]C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000097084820 564149382 /nfs/dbraw/zinc/14/93/82/564149382.db2.gz IHGHKVSSMSHXGU-UHFFFAOYSA-N 1 0 349.478 3.530 50 0 EHAARO Cc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c(N2CCCC2)n1 ZINC000097237440 564149590 /nfs/dbraw/zinc/14/95/90/564149590.db2.gz LJHDYGNTSDDOJL-MRXNPFEDSA-N 1 0 327.476 3.618 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccncc1 ZINC000057153606 564153328 /nfs/dbraw/zinc/15/33/28/564153328.db2.gz YLLVFNMVCPYWCN-LEWJYISDSA-N 1 0 349.478 3.657 50 0 EHAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(OC)cc2)CC1 ZINC000003060209 564154845 /nfs/dbraw/zinc/15/48/45/564154845.db2.gz AHRCLBDOMXQPIL-CQSZACIVSA-N 1 0 335.517 3.587 50 0 EHAARO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)CCS2 ZINC000163085542 564156490 /nfs/dbraw/zinc/15/64/90/564156490.db2.gz CWHGOOZLIUNIPB-FZMZJTMJSA-N 1 0 348.409 3.836 50 0 EHAARO Cc1csc2nc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)cc(=O)n12 ZINC000007988367 564161923 /nfs/dbraw/zinc/16/19/23/564161923.db2.gz FUBOTKKOYJQDHI-QGZVFWFLSA-N 1 0 339.464 3.574 50 0 EHAARO CC(=O)c1c(F)cccc1N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171365529 564164144 /nfs/dbraw/zinc/16/41/44/564164144.db2.gz CIUVLNRBTMNVSJ-OAHLLOKOSA-N 1 0 327.403 3.670 50 0 EHAARO COc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)c1 ZINC000008613190 564166085 /nfs/dbraw/zinc/16/60/85/564166085.db2.gz CHHARMHHFVNUFC-GOSISDBHSA-N 1 0 330.472 3.566 50 0 EHAARO CCc1ccc(C(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000244983872 564168605 /nfs/dbraw/zinc/16/86/05/564168605.db2.gz IUULYNDUKZRTNO-UHFFFAOYSA-N 1 0 346.540 3.586 50 0 EHAARO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cccc(N2CCCC2=O)c1 ZINC000071831337 564175705 /nfs/dbraw/zinc/17/57/05/564175705.db2.gz DQZFLCJGRCZKIJ-OAHLLOKOSA-N 1 0 340.471 3.616 50 0 EHAARO c1ccc([C@@H](CC2CCC2)[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1 ZINC000655753397 1017535827 /nfs/dbraw/zinc/53/58/27/1017535827.db2.gz ZYVZNIQVAKXAAF-LEWJYISDSA-N 1 0 328.500 3.761 50 0 EHAARO C[C@H](CC[NH+]1CCC(c2nc(N(C)C)no2)CC1)c1ccccc1 ZINC000194752379 1033434253 /nfs/dbraw/zinc/43/42/53/1033434253.db2.gz CTDRNNBMJDZNIF-OAHLLOKOSA-N 1 0 328.460 3.509 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]C/C=C/c1ccccc1OC ZINC000084736236 1036238914 /nfs/dbraw/zinc/23/89/14/1036238914.db2.gz JYNBPCYJPAOBCO-FDGXHLLTSA-N 1 0 344.499 3.581 50 0 EHAARO Cc1ccc2c(c1)ncn(CCC1CC[NH+](C3CCCC3)CC1)c2=O ZINC000032541473 1037230833 /nfs/dbraw/zinc/23/08/33/1037230833.db2.gz NFAPSLRPNGTCGC-UHFFFAOYSA-N 1 0 339.483 3.750 50 0 EHAARO COc1ccc(C[N@H+](C)C2CSCCSC2)c2cccnc12 ZINC000032547886 1037406727 /nfs/dbraw/zinc/40/67/27/1037406727.db2.gz RFKPPTNJSUBABX-UHFFFAOYSA-N 1 0 334.510 3.524 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000047527595 1041701997 /nfs/dbraw/zinc/70/19/97/1041701997.db2.gz MLXIALPUFNNWEO-UHFFFAOYSA-N 1 0 347.846 3.598 50 0 EHAARO CCO[C@@H](C[NH2+]Cc1sccc1C1OCCO1)c1ccccc1 ZINC000888097868 1043255865 /nfs/dbraw/zinc/25/58/65/1043255865.db2.gz RDRPJLAXIVJWGC-INIZCTEOSA-N 1 0 333.453 3.661 50 0 EHAARO COc1cc2c(c(C[NH2+]CC3(C(F)(F)F)CCC3)c1)O[C@H](C)C2 ZINC000513002287 1122745936 /nfs/dbraw/zinc/74/59/36/1122745936.db2.gz WSTCKQWLFPUUKZ-LLVKDONJSA-N 1 0 329.362 3.841 50 0 EHAARO COc1ccccc1C1(C[NH2+][C@@H](C)Cc2cnccn2)CCCC1 ZINC000453067763 1129145978 /nfs/dbraw/zinc/14/59/78/1129145978.db2.gz MLIVOUYHHRRFRV-INIZCTEOSA-N 1 0 325.456 3.518 50 0 EHAARO CC[C@@H](C(=O)N(C)Cc1ccc(OC)c2ccccc12)[N@H+](C)CC ZINC000822541574 1131002019 /nfs/dbraw/zinc/00/20/19/1131002019.db2.gz GPZOEAYEFGBBLL-SFHVURJKSA-N 1 0 328.456 3.537 50 0 EHAARO COCCn1c(C)cnc1C[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000575317568 1131541196 /nfs/dbraw/zinc/54/11/96/1131541196.db2.gz NVEDWUHMBKAWDB-FQEVSTJZSA-N 1 0 341.499 3.601 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000575550338 1131573178 /nfs/dbraw/zinc/57/31/78/1131573178.db2.gz VJLDUTWAVWTLEQ-SFHVURJKSA-N 1 0 346.434 3.704 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)NCc2ccc(C)cc2)C1 ZINC000581807658 1132370772 /nfs/dbraw/zinc/37/07/72/1132370772.db2.gz LTZJXKOKZGKYTH-SFHVURJKSA-N 1 0 338.455 3.534 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)Nc2ccccc2F)C1 ZINC000581808526 1132370804 /nfs/dbraw/zinc/37/08/04/1132370804.db2.gz XMSAXVFDFDDFRS-AWEZNQCLSA-N 1 0 328.391 3.687 50 0 EHAARO COCCn1c(C)cnc1C[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000581815380 1132371918 /nfs/dbraw/zinc/37/19/18/1132371918.db2.gz APRZHIPXYDZJHM-LJQANCHMSA-N 1 0 333.520 3.673 50 0 EHAARO C[N@H+](Cc1ccccc1N1CCCC1)[C@H]1CCc2ccccc2NC1=O ZINC000191851312 1136813970 /nfs/dbraw/zinc/81/39/70/1136813970.db2.gz YRPCOPIVJKBNDV-NRFANRHFSA-N 1 0 349.478 3.672 50 0 EHAARO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000585084696 1136975377 /nfs/dbraw/zinc/97/53/77/1136975377.db2.gz UWPZBRICFRCRSN-LJQANCHMSA-N 1 0 338.455 3.938 50 0 EHAARO COc1ccc([C@H]2OCC[C@@H]2[NH2+]CCc2ccc(C(C)C)cc2)cn1 ZINC000952845816 1137482490 /nfs/dbraw/zinc/48/24/90/1137482490.db2.gz UUXBNJXHHSDLCL-PZJWPPBQSA-N 1 0 340.467 3.876 50 0 EHAARO CC(C)c1nccn1CCC[NH2+]Cc1ccc2cccc(F)c2n1 ZINC000952972209 1137484270 /nfs/dbraw/zinc/48/42/70/1137484270.db2.gz VCAHKEOCMQMOBA-UHFFFAOYSA-N 1 0 326.419 3.874 50 0 EHAARO Cc1ccc2cc(C[NH2+]CCOc3ccccc3F)c(=O)[nH]c2c1 ZINC000952967007 1137484797 /nfs/dbraw/zinc/48/47/97/1137484797.db2.gz GKKNIICQELYLSM-UHFFFAOYSA-N 1 0 326.371 3.557 50 0 EHAARO CC(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2ccco2)C1 ZINC000952967978 1137484929 /nfs/dbraw/zinc/48/49/29/1137484929.db2.gz DRLKZTNOFXSXEQ-QGZVFWFLSA-N 1 0 326.440 3.683 50 0 EHAARO Cc1ccccc1O[C@H](C(=O)N(C)CC[N@H+](C)C1CCCC1)C(C)C ZINC000952989746 1137485924 /nfs/dbraw/zinc/48/59/24/1137485924.db2.gz XZZSWRBNZHDSOL-FQEVSTJZSA-N 1 0 346.515 3.731 50 0 EHAARO Cc1ccccc1-c1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)c1 ZINC000097604310 219041021 /nfs/dbraw/zinc/04/10/21/219041021.db2.gz CVGJPIGIKARCJE-UXHICEINSA-N 1 0 334.463 3.763 50 0 EHAARO C[C@@H](CCc1ccccc1)[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000052829359 214149359 /nfs/dbraw/zinc/14/93/59/214149359.db2.gz VWVIVIIWZNYVAL-KRWDZBQOSA-N 1 0 337.467 3.753 50 0 EHAARO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000052829385 214149428 /nfs/dbraw/zinc/14/94/28/214149428.db2.gz LZAUIFKKCZTABK-ZDUSSCGKSA-N 1 0 345.393 3.772 50 0 EHAARO Cc1[nH]c2ccc(C[NH2+]C3CCN(Cc4cccnc4)CC3)cc2c1C ZINC000055168515 214283334 /nfs/dbraw/zinc/28/33/34/214283334.db2.gz JWRXJEBHMVUAAP-UHFFFAOYSA-N 1 0 348.494 3.934 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(-n2cccn2)cc1 ZINC000055183299 214285130 /nfs/dbraw/zinc/28/51/30/214285130.db2.gz QTTSYZYVECSWSE-SFHVURJKSA-N 1 0 341.480 3.707 50 0 EHAARO CCOc1ccc(C[N@H+](Cc2cccc3c2OCO3)C2CC2)cc1 ZINC000055211781 214289541 /nfs/dbraw/zinc/28/95/41/214289541.db2.gz BYTXJZBSSMHHOT-UHFFFAOYSA-N 1 0 325.408 3.979 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccccc2Cn2cccn2)c1 ZINC000055269718 214297976 /nfs/dbraw/zinc/29/79/76/214297976.db2.gz MOZAYXHLVTXVIR-GOSISDBHSA-N 1 0 334.467 3.698 50 0 EHAARO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc([C@H]2CCCO2)s1 ZINC000055393231 214316732 /nfs/dbraw/zinc/31/67/32/214316732.db2.gz BZVUHQQFWLFZBA-QGZVFWFLSA-N 1 0 333.501 3.991 50 0 EHAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CCc1ccc(Cl)s1 ZINC000055407777 214321054 /nfs/dbraw/zinc/32/10/54/214321054.db2.gz CHNZCKPBXMHSCD-CHWSQXEVSA-N 1 0 328.909 3.571 50 0 EHAARO Cc1c2cc(Cl)ccc2[nH]c1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000097805531 219057749 /nfs/dbraw/zinc/05/77/49/219057749.db2.gz ZRPNPRGZYBWNTR-UHFFFAOYSA-N 1 0 329.835 3.627 50 0 EHAARO CN(C)C(=O)Cc1nc(C[N@@H+]2CCCC3(C2)CCCCCC3)cs1 ZINC000098015865 219069362 /nfs/dbraw/zinc/06/93/62/219069362.db2.gz ICEBTNPRFDUBLU-UHFFFAOYSA-N 1 0 349.544 3.710 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2sccc2C)N3)C1 ZINC000004556404 210220239 /nfs/dbraw/zinc/22/02/39/210220239.db2.gz JSYZUKXDGDEWIW-AWEZNQCLSA-N 1 0 333.482 3.925 50 0 EHAARO C[C@H]1CCC[N@H+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000004173718 210139879 /nfs/dbraw/zinc/13/98/79/210139879.db2.gz BOXSZJJSGYKFPP-VVHWVUDUSA-N 1 0 335.532 3.702 50 0 EHAARO CC[C@@H]1[C@H](O)C[C@H](c2ccc(OC)cc2)[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000004133165 210129696 /nfs/dbraw/zinc/12/96/96/210129696.db2.gz WBWWKIRERSPQIP-XRXFAXGQSA-N 1 0 341.451 3.867 50 0 EHAARO S=C(NCC1([NH+]2CCCCC2)CCCCC1)NC1CCCCC1 ZINC000003330907 210009916 /nfs/dbraw/zinc/00/99/16/210009916.db2.gz IQAXOVUDAORORJ-UHFFFAOYSA-N 1 0 337.577 3.972 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2cc[nH]c2c1 ZINC000042999699 213548377 /nfs/dbraw/zinc/54/83/77/213548377.db2.gz HLGMMDWTESYVPM-UHFFFAOYSA-N 1 0 333.435 3.562 50 0 EHAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCc1cn[nH]c1)CCO2 ZINC000067514003 215156762 /nfs/dbraw/zinc/15/67/62/215156762.db2.gz PCCDKLPGDWVWMS-UHFFFAOYSA-N 1 0 349.434 3.528 50 0 EHAARO C[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2nn(C)c3ccccc32)c1 ZINC000067643640 215172836 /nfs/dbraw/zinc/17/28/36/215172836.db2.gz VUXZGBIXGBWHPT-OAHLLOKOSA-N 1 0 348.450 3.810 50 0 EHAARO CC(C)C(=O)N1CCC([NH2+][C@@H](C)CCc2c[nH]c3ccccc23)CC1 ZINC000067674626 215179217 /nfs/dbraw/zinc/17/92/17/215179217.db2.gz ZGHBDCSQTHRYFL-INIZCTEOSA-N 1 0 341.499 3.726 50 0 EHAARO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)Nc3ccccc3)C2)oc1C ZINC000067920683 215249788 /nfs/dbraw/zinc/24/97/88/215249788.db2.gz AKMKFNNEWSTBIH-INIZCTEOSA-N 1 0 327.428 3.540 50 0 EHAARO Oc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[NH2+]C2 ZINC000067966074 215262717 /nfs/dbraw/zinc/26/27/17/215262717.db2.gz AIPAWNGNGOIWDW-UHFFFAOYSA-N 1 0 344.720 3.608 50 0 EHAARO C[C@H](Nc1ncnc2c1CC[NH2+]C2)c1ccc(-c2ccccc2)cc1 ZINC000067981865 215265661 /nfs/dbraw/zinc/26/56/61/215265661.db2.gz JVNNIIFICFFELG-HNNXBMFYSA-N 1 0 330.435 3.962 50 0 EHAARO C[C@H](SCc1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000040141910 213272226 /nfs/dbraw/zinc/27/22/26/213272226.db2.gz YSXYSFVUGHAGII-WMLDXEAASA-N 1 0 348.537 3.789 50 0 EHAARO CC1CC[NH+](CCCNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000040043410 213254240 /nfs/dbraw/zinc/25/42/40/213254240.db2.gz YSBLRRGMFRLXIA-UHFFFAOYSA-N 1 0 328.378 3.557 50 0 EHAARO COc1ccc(C[NH2+]CCc2c(C)[nH]c3ccc(F)cc32)cc1OC ZINC000036657745 213108814 /nfs/dbraw/zinc/10/88/14/213108814.db2.gz YORSVSCSEGJFFA-UHFFFAOYSA-N 1 0 342.414 3.965 50 0 EHAARO CCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000036099974 213067010 /nfs/dbraw/zinc/06/70/10/213067010.db2.gz SWUCPYOQKYJQAH-HXUWFJFHSA-N 1 0 327.468 3.955 50 0 EHAARO COc1cc(Br)c(C[NH2+]Cc2cccs2)cc1OC ZINC000034991920 213003635 /nfs/dbraw/zinc/00/36/35/213003635.db2.gz DSPNXCDRCOFBJP-UHFFFAOYSA-N 1 0 342.258 3.818 50 0 EHAARO CC(C)[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000071828286 215859220 /nfs/dbraw/zinc/85/92/20/215859220.db2.gz XZEQURYVIXIIOX-SNVBAGLBSA-N 1 0 340.221 3.713 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000072144129 216030500 /nfs/dbraw/zinc/03/05/00/216030500.db2.gz CIHYUTMCWPJETA-SFHVURJKSA-N 1 0 332.536 3.695 50 0 EHAARO Cc1ccccc1-c1cccc(CN2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000072156214 216045141 /nfs/dbraw/zinc/04/51/41/216045141.db2.gz JJEMHHIXXFEFEK-FQEVSTJZSA-N 1 0 338.495 3.672 50 0 EHAARO Cc1ccccc1-c1cccc(CN2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000072156213 216046158 /nfs/dbraw/zinc/04/61/58/216046158.db2.gz JJEMHHIXXFEFEK-HXUWFJFHSA-N 1 0 338.495 3.672 50 0 EHAARO Fc1ccccc1C[N@@H+]1CCC[C@@]2(CCN(c3nccs3)C2)C1 ZINC000072168331 216058641 /nfs/dbraw/zinc/05/86/41/216058641.db2.gz OTRAJUGJBODBSQ-GOSISDBHSA-N 1 0 331.460 3.775 50 0 EHAARO C[C@@]12c3ccccc3CCN1C(=O)OC21CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000105568 209423959 /nfs/dbraw/zinc/42/39/59/209423959.db2.gz GYBHSJDARJTSAO-IBGZPJMESA-N 1 0 328.456 3.590 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(c2cc(N3CCCC3)ncn2)CC1 ZINC000072411099 216204344 /nfs/dbraw/zinc/20/43/44/216204344.db2.gz JLZNDTXMHGJLRQ-UHFFFAOYSA-N 1 0 336.483 3.765 50 0 EHAARO Cn1ncc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1C1CC1 ZINC000072463285 216245203 /nfs/dbraw/zinc/24/52/03/216245203.db2.gz BHQUIKCYPGVQFF-HNNXBMFYSA-N 1 0 335.455 3.553 50 0 EHAARO COc1ccc(OC)c2c(C)cc(NCC(C)(C)C[NH+](C)C)nc12 ZINC000023550209 212383006 /nfs/dbraw/zinc/38/30/06/212383006.db2.gz LYGIDBSIKXEHDR-UHFFFAOYSA-N 1 0 331.460 3.560 50 0 EHAARO Cc1nc[nH]c1C[NH2+][C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000023373601 212372595 /nfs/dbraw/zinc/37/25/95/212372595.db2.gz NUTMYJCJTPTFHC-HXUWFJFHSA-N 1 0 340.515 3.671 50 0 EHAARO C[C@@H]([NH2+]CCCOC1CCOCC1)c1cc(Br)cs1 ZINC000194106364 240439697 /nfs/dbraw/zinc/43/96/97/240439697.db2.gz TXQIFVDICHLYCL-LLVKDONJSA-N 1 0 348.306 3.747 50 0 EHAARO C[NH+]1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)nc2)CC1 ZINC000215123790 241109469 /nfs/dbraw/zinc/10/94/69/241109469.db2.gz ZEQHQASIDVBGFJ-UHFFFAOYSA-N 1 0 335.373 3.515 50 0 EHAARO CC(=O)Nc1ccc2nc(C[N@@H+]3CCC[C@H]3c3ccccn3)ccc2c1 ZINC000215752411 241142969 /nfs/dbraw/zinc/14/29/69/241142969.db2.gz KSOWXYYGIVLFCR-NRFANRHFSA-N 1 0 346.434 3.925 50 0 EHAARO OCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000215925119 241156789 /nfs/dbraw/zinc/15/67/89/241156789.db2.gz LMJOIFNOYTWIBQ-HXUWFJFHSA-N 1 0 329.415 3.924 50 0 EHAARO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000216528018 241198068 /nfs/dbraw/zinc/19/80/68/241198068.db2.gz JVGFUBANCKELCT-MSOLQXFVSA-N 1 0 338.451 3.955 50 0 EHAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000229502791 242169895 /nfs/dbraw/zinc/16/98/95/242169895.db2.gz HVMIASPINQGXDM-CZUORRHYSA-N 1 0 339.391 3.888 50 0 EHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=S)NC2CCCCC2)C1 ZINC000229766675 242198610 /nfs/dbraw/zinc/19/86/10/242198610.db2.gz ZIMFDRZGALDRAC-MAUKXSAKSA-N 1 0 331.529 3.619 50 0 EHAARO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000237531153 242677452 /nfs/dbraw/zinc/67/74/52/242677452.db2.gz SBOLSCORAJTBHR-UHTWSYAYSA-N 1 0 342.361 3.789 50 0 EHAARO CC[C@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021169740 212214629 /nfs/dbraw/zinc/21/46/29/212214629.db2.gz HWDBQBWUEQGVFN-VXKWHMMOSA-N 1 0 339.479 3.709 50 0 EHAARO COc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170366 212213783 /nfs/dbraw/zinc/21/37/83/212213783.db2.gz NUQXOADNRIMCSS-QGZVFWFLSA-N 1 0 330.472 3.566 50 0 EHAARO Cc1csc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000242338986 243016812 /nfs/dbraw/zinc/01/68/12/243016812.db2.gz ZDZJXJPXGLQMPJ-UHFFFAOYSA-N 1 0 349.887 3.751 50 0 EHAARO CN1CC[NH+](CCCCOc2ccc3ccccc3c2Cl)CC1 ZINC000020653059 212160309 /nfs/dbraw/zinc/16/03/09/212160309.db2.gz VQKSCDZVXYSDFN-UHFFFAOYSA-N 1 0 332.875 3.900 50 0 EHAARO Brc1cccc(OCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000020323195 212119616 /nfs/dbraw/zinc/11/96/16/212119616.db2.gz BGVQTTPXHRMOIF-UHFFFAOYSA-N 1 0 332.241 3.886 50 0 EHAARO Clc1cc(Br)ccc1OCCCC[NH+]1CCOCC1 ZINC000020118106 212103027 /nfs/dbraw/zinc/10/30/27/212103027.db2.gz QOORRGSUVLRXIF-UHFFFAOYSA-N 1 0 348.668 3.594 50 0 EHAARO COc1cccc(C[NH2+]CCN(C)C)c1OCc1ccc(Cl)cc1 ZINC000019871855 212077138 /nfs/dbraw/zinc/07/71/38/212077138.db2.gz MUDVDLHBJLARKY-UHFFFAOYSA-N 1 0 348.874 3.579 50 0 EHAARO CCS[C@H]1CCCC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078289736 217038696 /nfs/dbraw/zinc/03/86/96/217038696.db2.gz UORVURVVGQMPDW-GJZGRUSLSA-N 1 0 341.565 3.659 50 0 EHAARO Cc1ccc([C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)c2cccs2)cc1 ZINC000078725981 217108530 /nfs/dbraw/zinc/10/85/30/217108530.db2.gz LHXUSGKUSRRYOD-HNAYVOBHSA-N 1 0 328.481 3.604 50 0 EHAARO CC(C)Cc1nnc([C@@H](C)N2CCC[N@H+](Cc3ccccc3)CC2)o1 ZINC000078921892 217149010 /nfs/dbraw/zinc/14/90/10/217149010.db2.gz VZGFLBWYELKZCD-QGZVFWFLSA-N 1 0 342.487 3.537 50 0 EHAARO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C)o1 ZINC000110619636 220049048 /nfs/dbraw/zinc/04/90/48/220049048.db2.gz NPLDBIMXCMZUEE-RHSMWYFYSA-N 1 0 332.469 3.771 50 0 EHAARO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1occc1Br ZINC000089513173 217807624 /nfs/dbraw/zinc/80/76/24/217807624.db2.gz QSVCYZHDRSIYBC-LLVKDONJSA-N 1 0 329.282 3.956 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 ZINC000012348586 211353716 /nfs/dbraw/zinc/35/37/16/211353716.db2.gz YTYHTFYEFFWFPV-AWEZNQCLSA-N 1 0 326.824 3.573 50 0 EHAARO C/C=C/c1ccc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000012343374 211352780 /nfs/dbraw/zinc/35/27/80/211352780.db2.gz MHZQKMXGLYPPHD-CZIQXLRQSA-N 1 0 333.472 3.997 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012314967 211343514 /nfs/dbraw/zinc/34/35/14/211343514.db2.gz QUXHAIUKNQRNNR-VYFWZWAVSA-N 1 0 330.447 3.606 50 0 EHAARO OCc1ccc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3F)C2)o1 ZINC000012302390 211340494 /nfs/dbraw/zinc/34/04/94/211340494.db2.gz XAMJDVBVVACBGF-AWEZNQCLSA-N 1 0 335.394 3.895 50 0 EHAARO c1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)n(-c2ccccn2)c1 ZINC000012200720 211318894 /nfs/dbraw/zinc/31/88/94/211318894.db2.gz LBIXRKJANFFQLP-IBGZPJMESA-N 1 0 332.451 3.949 50 0 EHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccsc3)C2)cc1OC ZINC000012196646 211317729 /nfs/dbraw/zinc/31/77/29/211317729.db2.gz SSQYWVCICUXZCY-INIZCTEOSA-N 1 0 345.464 3.860 50 0 EHAARO O=C(CC1=CCCCC1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011956285 211273661 /nfs/dbraw/zinc/27/36/61/211273661.db2.gz FFWHCDRJURXMFX-FQEVSTJZSA-N 1 0 326.484 3.700 50 0 EHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2)oc1C ZINC000011933937 211269426 /nfs/dbraw/zinc/26/94/26/211269426.db2.gz CHAARZMQOXIAEJ-INIZCTEOSA-N 1 0 330.428 3.660 50 0 EHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c(C)c1 ZINC000011873265 211261311 /nfs/dbraw/zinc/26/13/11/211261311.db2.gz KNNYDXSOUIECEM-KRWDZBQOSA-N 1 0 338.451 3.802 50 0 EHAARO Fc1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC000091691621 218048239 /nfs/dbraw/zinc/04/82/39/218048239.db2.gz PETBKWFABRXPIR-UHFFFAOYSA-N 1 0 332.806 3.896 50 0 EHAARO Cc1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2cccc(C)c2C)[nH]n1 ZINC000011817921 211249721 /nfs/dbraw/zinc/24/97/21/211249721.db2.gz ZXKDXUOOUXCXRR-SFHVURJKSA-N 1 0 335.455 3.688 50 0 EHAARO O=C(Nc1cccc(Cl)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091724314 218053162 /nfs/dbraw/zinc/05/31/62/218053162.db2.gz JNTJADZRCWHALX-RHSMWYFYSA-N 1 0 333.863 3.678 50 0 EHAARO O=C(c1ccc2occc2c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000091779094 218064373 /nfs/dbraw/zinc/06/43/73/218064373.db2.gz AMMCTTLCGGHFPY-GOSISDBHSA-N 1 0 326.440 3.913 50 0 EHAARO FC(F)(F)c1nccc(NC2(C[NH+]3CCCC3)CCCCC2)n1 ZINC000091914704 218088390 /nfs/dbraw/zinc/08/83/90/218088390.db2.gz HBZGRHQOOZKBOE-UHFFFAOYSA-N 1 0 328.382 3.706 50 0 EHAARO C[N@H+](C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010383916 211169050 /nfs/dbraw/zinc/16/90/50/211169050.db2.gz FVSKGYLVKWJXTA-UQTNFYOXSA-N 1 0 335.532 3.845 50 0 EHAARO O[C@@H](c1ccc(F)cc1)C1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093280053 218210782 /nfs/dbraw/zinc/21/07/82/218210782.db2.gz GIJQBZVIOHXAAV-FQEVSTJZSA-N 1 0 339.414 3.648 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccccc1F ZINC000009315892 211066832 /nfs/dbraw/zinc/06/68/32/211066832.db2.gz SXFOZTKIHIRWJG-INIZCTEOSA-N 1 0 331.391 3.767 50 0 EHAARO Cc1ccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1Cl ZINC000008988623 211027377 /nfs/dbraw/zinc/02/73/77/211027377.db2.gz BWZVXNAWMWPDMS-KRWDZBQOSA-N 1 0 345.874 3.943 50 0 EHAARO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H](O)c1c(F)cccc1F ZINC000095415526 218354039 /nfs/dbraw/zinc/35/40/39/218354039.db2.gz WVIPRQZSPJMSDF-HWPZZCPQSA-N 1 0 338.423 3.901 50 0 EHAARO COCCOc1ncccc1C[NH2+][C@@H]1C[C@@H](C)Sc2ccccc21 ZINC000095420361 218360925 /nfs/dbraw/zinc/36/09/25/218360925.db2.gz UVHDNAWSYJUKJG-RHSMWYFYSA-N 1 0 344.480 3.822 50 0 EHAARO OCCOc1ccccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000095423110 218365363 /nfs/dbraw/zinc/36/53/63/218365363.db2.gz CVLWYLYMEDTDEO-MRXNPFEDSA-N 1 0 333.428 3.524 50 0 EHAARO CC[C@]1(C)C[C@@](CC(=O)O[C@H](C)C[NH+](C)C)(c2ccccc2)CCO1 ZINC000005686590 210516533 /nfs/dbraw/zinc/51/65/33/210516533.db2.gz BQVOKFAZPLBWCA-DUXKGJEZSA-N 1 0 347.499 3.787 50 0 EHAARO O=C(/C=C\c1cccs1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000096926284 218900369 /nfs/dbraw/zinc/90/03/69/218900369.db2.gz CLXQNIZSZZRKFW-RXQFDZFGSA-N 1 0 326.465 3.715 50 0 EHAARO C[C@@H](C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000005045780 210372972 /nfs/dbraw/zinc/37/29/72/210372972.db2.gz POCKRBZBJVJKGH-MSOLQXFVSA-N 1 0 328.500 3.761 50 0 EHAARO O[C@@H](COCc1ccccc1)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004951753 210337878 /nfs/dbraw/zinc/33/78/78/210337878.db2.gz OGNPTZCLZHLBHT-JOCHJYFZSA-N 1 0 339.479 3.519 50 0 EHAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000097232104 219000061 /nfs/dbraw/zinc/00/00/61/219000061.db2.gz IYZUBVFXRPFSIQ-LBTNJELSSA-N 1 0 327.428 3.673 50 0 EHAARO C[C@@H](Nc1cc(C(N)=O)ccc1C[NH+](C)C)c1ccccc1Cl ZINC000097232215 219000413 /nfs/dbraw/zinc/00/04/13/219000413.db2.gz NQAYZQMJDWTTGH-GFCCVEGCSA-N 1 0 331.847 3.674 50 0 EHAARO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC000097374484 219018504 /nfs/dbraw/zinc/01/85/04/219018504.db2.gz MDCKLQPEDTUZEP-LBPRGKRZSA-N 1 0 347.459 3.531 50 0 EHAARO COc1ccc([C@](C)(O)[C@H](c2ccccc2)[C@@H]2CCCC[NH2+]2)cc1 ZINC000004782914 210277255 /nfs/dbraw/zinc/27/72/55/210277255.db2.gz HGOAFHCXOPDXNZ-HBMCJLEFSA-N 1 0 325.452 3.829 50 0 EHAARO C[C@@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000129296789 533133032 /nfs/dbraw/zinc/13/30/32/533133032.db2.gz RVEUVKUYIXDYIB-NEPJUHHUSA-N 1 0 344.286 3.648 50 0 EHAARO CO[C@@H](c1nnc([C@H](C)C[NH+]2CCCCCC2)o1)c1ccccc1 ZINC000521393910 257948910 /nfs/dbraw/zinc/94/89/10/257948910.db2.gz ZKLDLMAUYJIXQK-NVXWUHKLSA-N 1 0 329.444 3.785 50 0 EHAARO O=C(CC[NH+]1CCCCCCC1)NCc1cnc2ccccc2c1 ZINC000299781940 258090527 /nfs/dbraw/zinc/09/05/27/258090527.db2.gz WYTDPTHWAAYOKL-UHFFFAOYSA-N 1 0 325.456 3.507 50 0 EHAARO Cc1ccsc1C[N@H+]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000299790341 258096026 /nfs/dbraw/zinc/09/60/26/258096026.db2.gz AWUKBMHUVGENMZ-UHFFFAOYSA-N 1 0 348.899 3.944 50 0 EHAARO Cc1cccnc1-c1cccc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000299799277 258103192 /nfs/dbraw/zinc/10/31/92/258103192.db2.gz FCGDNKUFOGWMGB-QFIPXVFZSA-N 1 0 349.478 3.615 50 0 EHAARO CCCC[NH2+][C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000299765065 258080426 /nfs/dbraw/zinc/08/04/26/258080426.db2.gz ZZHLDWJDYCYONA-KRWDZBQOSA-N 1 0 326.488 3.995 50 0 EHAARO CC[NH+](CC)CCN(C)C(=O)c1cccc(-c2cccc(F)c2O)c1 ZINC000299767837 258082322 /nfs/dbraw/zinc/08/23/22/258082322.db2.gz VZNBQQRYFRIEAS-UHFFFAOYSA-N 1 0 344.430 3.612 50 0 EHAARO CC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543926 132196198 /nfs/dbraw/zinc/19/61/98/132196198.db2.gz WJFBUVJAQMOTFG-UHFFFAOYSA-N 1 0 343.858 3.621 50 0 EHAARO Cc1cnccc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000122038442 222001756 /nfs/dbraw/zinc/00/17/56/222001756.db2.gz HVGZUQAUHKHKTN-INIZCTEOSA-N 1 0 338.455 3.737 50 0 EHAARO CC(C)c1cc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)no1 ZINC000123815014 222335238 /nfs/dbraw/zinc/33/52/38/222335238.db2.gz UUZDFIBKKMMWGQ-UHFFFAOYSA-N 1 0 341.455 3.535 50 0 EHAARO Cc1nc(CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cs1 ZINC000278981550 526811373 /nfs/dbraw/zinc/81/13/73/526811373.db2.gz ZCFUTHFLJNAWSM-UHFFFAOYSA-N 1 0 332.444 3.728 50 0 EHAARO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)CC1 ZINC000242389479 535266753 /nfs/dbraw/zinc/26/67/53/535266753.db2.gz ZXNCERLUXYCWSH-CQSZACIVSA-N 1 0 349.441 3.623 50 0 EHAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(Br)s1 ZINC000072298427 563912379 /nfs/dbraw/zinc/91/23/79/563912379.db2.gz XMWSPNYGOAKZKC-LBPRGKRZSA-N 1 0 340.290 3.894 50 0 EHAARO C[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000196406 563988227 /nfs/dbraw/zinc/98/82/27/563988227.db2.gz CQQUVPWMVQOMTM-AWEZNQCLSA-N 1 0 333.284 3.519 50 0 EHAARO CCOC(=O)CCCCCC(=O)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514933 563435908 /nfs/dbraw/zinc/43/59/08/563435908.db2.gz AICCLHCURZZEKV-UHFFFAOYSA-N 1 0 329.440 3.755 50 0 EHAARO Cc1occc1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000071909555 563575173 /nfs/dbraw/zinc/57/51/73/563575173.db2.gz YWZYBQDSJICKBQ-HNNXBMFYSA-N 1 0 341.455 3.613 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCCOc2cccc(C)c2C)CC1 ZINC000006701295 563579755 /nfs/dbraw/zinc/57/97/55/563579755.db2.gz UWJUMWIJVZXNMB-UHFFFAOYSA-N 1 0 333.472 3.738 50 0 EHAARO Cc1ccccc1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006741082 563584349 /nfs/dbraw/zinc/58/43/49/563584349.db2.gz PJLSROGORFYARE-UHFFFAOYSA-N 1 0 338.495 3.722 50 0 EHAARO C[C@H]1C[C@H](N(C)C(=O)Nc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000071915862 563620079 /nfs/dbraw/zinc/62/00/79/563620079.db2.gz UKGHDXPLLDGSOP-QFBILLFUSA-N 1 0 338.455 3.598 50 0 EHAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[NH+]1CCCCC1 ZINC000008579154 563632975 /nfs/dbraw/zinc/63/29/75/563632975.db2.gz VQHMUUVWKHRDLT-UHFFFAOYSA-N 1 0 335.245 3.997 50 0 EHAARO CCCO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000012705526 563667813 /nfs/dbraw/zinc/66/78/13/563667813.db2.gz GCRXGEMRISJXQX-INIZCTEOSA-N 1 0 331.435 3.617 50 0 EHAARO COc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c(C(C)(C)C)c1 ZINC000013147655 563691267 /nfs/dbraw/zinc/69/12/67/563691267.db2.gz UNIOPIHHZCUNIF-JKSUJKDBSA-N 1 0 335.488 3.607 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc2ccccc2n1 ZINC000032721269 563703243 /nfs/dbraw/zinc/70/32/43/563703243.db2.gz PDLBHELPGNEERP-OAQYLSRUSA-N 1 0 345.446 3.802 50 0 EHAARO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1F ZINC000014118935 563742836 /nfs/dbraw/zinc/74/28/36/563742836.db2.gz PDSQRJYJYRGHCR-UHFFFAOYSA-N 1 0 348.462 3.753 50 0 EHAARO C[NH+](C)C1(CNC(=O)Nc2ccc(F)cc2F)CCCCCC1 ZINC000014161690 563745866 /nfs/dbraw/zinc/74/58/66/563745866.db2.gz KXYZIZBEEIMFPJ-UHFFFAOYSA-N 1 0 325.403 3.741 50 0 EHAARO Cc1ccc2c(CSC3=[NH+][C@@H]4CCCC[C@@H]4N3)cc(=O)oc2c1C ZINC000014182580 563747820 /nfs/dbraw/zinc/74/78/20/563747820.db2.gz JJTMBOBZLJNTHY-IYBDPMFKSA-N 1 0 342.464 3.913 50 0 EHAARO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000014949722 563767576 /nfs/dbraw/zinc/76/75/76/563767576.db2.gz RVROWFMVSKZQIE-KRWDZBQOSA-N 1 0 327.453 3.623 50 0 EHAARO CCn1ncc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1C ZINC000014949039 563767742 /nfs/dbraw/zinc/76/77/42/563767742.db2.gz HAXNYXKWJFGLGJ-INIZCTEOSA-N 1 0 345.874 3.960 50 0 EHAARO O=C(c1ccc(OC2CC[NH+](C3CCC3)CC2)cc1)N1CCCCC1 ZINC000014957035 563768160 /nfs/dbraw/zinc/76/81/60/563768160.db2.gz JEFCZMAJSNEBDJ-UHFFFAOYSA-N 1 0 342.483 3.708 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)ccc1O ZINC000014961540 563768491 /nfs/dbraw/zinc/76/84/91/563768491.db2.gz CBMZNXOJNCRXJA-QGZVFWFLSA-N 1 0 330.403 3.616 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CCCC4)C3)C2)c1 ZINC000014979773 563770114 /nfs/dbraw/zinc/77/01/14/563770114.db2.gz OBAIFXBJEHRPCO-QFIPXVFZSA-N 1 0 340.511 4.000 50 0 EHAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccncc2)C1)Nc1ccccc1F ZINC000015065045 563775186 /nfs/dbraw/zinc/77/51/86/563775186.db2.gz YPIBQFVRASVRFI-MRXNPFEDSA-N 1 0 341.430 3.852 50 0 EHAARO CSc1ccsc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187243319 563851236 /nfs/dbraw/zinc/85/12/36/563851236.db2.gz SFWQNYDVNRUVPA-DOMZBBRYSA-N 1 0 334.510 3.891 50 0 EHAARO CSc1ccsc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187243301 563851280 /nfs/dbraw/zinc/85/12/80/563851280.db2.gz SFWQNYDVNRUVPA-WFASDCNBSA-N 1 0 334.510 3.891 50 0 EHAARO Cc1cccc(N2CC[NH+](C[C@H](O)c3c[nH]c4ccccc43)CC2)c1C ZINC000020441976 563859405 /nfs/dbraw/zinc/85/94/05/563859405.db2.gz CXYDHYZSZVSNFY-QFIPXVFZSA-N 1 0 349.478 3.640 50 0 EHAARO Cn1ccnc1C[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000023478427 563866868 /nfs/dbraw/zinc/86/68/68/563866868.db2.gz AFKSHSNQHFGSAL-UHFFFAOYSA-N 1 0 346.478 3.846 50 0 EHAARO COc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cc(OC)c1 ZINC000025356558 563883707 /nfs/dbraw/zinc/88/37/07/563883707.db2.gz IEIYQAQVAZSTJJ-OAHLLOKOSA-N 1 0 337.423 3.740 50 0 EHAARO CC(C)[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000026179824 563890240 /nfs/dbraw/zinc/89/02/40/563890240.db2.gz RHUQTNAQBJSWMH-QGZVFWFLSA-N 1 0 331.504 3.992 50 0 EHAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2ccccc2o1 ZINC000026299585 563890787 /nfs/dbraw/zinc/89/07/87/563890787.db2.gz QCHYFPRHVLVHIN-CQSZACIVSA-N 1 0 333.395 3.602 50 0 EHAARO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cc(F)cc(F)c1 ZINC000029177820 563905301 /nfs/dbraw/zinc/90/53/01/563905301.db2.gz FVBJGWSSEUGGBN-SFHVURJKSA-N 1 0 330.378 3.532 50 0 EHAARO O=C(C[N@@H+]1CCC[C@]2(CC=CCC2)C1)NCC1(c2ccccc2)CC1 ZINC000072284969 563906381 /nfs/dbraw/zinc/90/63/81/563906381.db2.gz NCHWXQHXASSVKG-OAQYLSRUSA-N 1 0 338.495 3.657 50 0 EHAARO CCOC(=O)C[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000033732082 563916421 /nfs/dbraw/zinc/91/64/21/563916421.db2.gz HRWUEUOAAKJSEV-LVCYWYKZSA-N 1 0 337.419 3.601 50 0 EHAARO O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCc2ccccc2C1 ZINC000004725560 563918870 /nfs/dbraw/zinc/91/88/70/563918870.db2.gz GAMBLTJTRFYZES-UHFFFAOYSA-N 1 0 340.511 3.864 50 0 EHAARO Cc1ccn2c(C[NH2+][C@H]3CCCc4c3cnn4C(C)(C)C)cnc2c1 ZINC000076042769 563921397 /nfs/dbraw/zinc/92/13/97/563921397.db2.gz MAQHTONMBUJXCD-KRWDZBQOSA-N 1 0 337.471 3.761 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000044932068 563928372 /nfs/dbraw/zinc/92/83/72/563928372.db2.gz REMFUMOUCFIMBZ-UHFFFAOYSA-N 1 0 340.442 3.663 50 0 EHAARO COc1cccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)c1 ZINC000058014181 563936637 /nfs/dbraw/zinc/93/66/37/563936637.db2.gz ZUJCQJFPTOTSIK-UHFFFAOYSA-N 1 0 325.387 3.618 50 0 EHAARO COc1ccc(CCC2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)cc1 ZINC000058083632 563937307 /nfs/dbraw/zinc/93/73/07/563937307.db2.gz KUBPJOHQUCBDAO-KRWDZBQOSA-N 1 0 346.515 3.501 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccc2cnccc21)C1CCCCC1 ZINC000058109460 563937552 /nfs/dbraw/zinc/93/75/52/563937552.db2.gz STGWJXHFMHCICB-IBGZPJMESA-N 1 0 340.471 3.867 50 0 EHAARO Cc1c(O)ccc2c(C[NH2+][C@H](C)c3ccc(F)c(F)c3)cc(=O)oc12 ZINC000058144840 563937715 /nfs/dbraw/zinc/93/77/15/563937715.db2.gz ABCDJNKWRDCUNG-LLVKDONJSA-N 1 0 345.345 3.936 50 0 EHAARO C[C@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc2ccccc21 ZINC000058162120 563938520 /nfs/dbraw/zinc/93/85/20/563938520.db2.gz SZDSTBGHJAGHNT-INIZCTEOSA-N 1 0 337.467 3.781 50 0 EHAARO O[C@H](C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1cccc(F)c1 ZINC000096424360 563951908 /nfs/dbraw/zinc/95/19/08/563951908.db2.gz NVMJGZJHVPTZPB-LJQANCHMSA-N 1 0 339.414 3.615 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(-c2cccnc2)cc1 ZINC000096447557 563953478 /nfs/dbraw/zinc/95/34/78/563953478.db2.gz PGUBVHCRPDUTMS-OAHLLOKOSA-N 1 0 331.419 3.698 50 0 EHAARO Cc1ccc(C[N@H+](CCCO)Cc2cccc3cnccc32)s1 ZINC000063834105 563956042 /nfs/dbraw/zinc/95/60/42/563956042.db2.gz IVPKFOJGCLWPDI-UHFFFAOYSA-N 1 0 326.465 3.989 50 0 EHAARO Cc1nn(C)c(C)c1C[N@@H+](Cc1cccn1-c1cccnc1)C(C)C ZINC000063857757 563956257 /nfs/dbraw/zinc/95/62/57/563956257.db2.gz GIIFXFRWHRBJHQ-UHFFFAOYSA-N 1 0 337.471 3.633 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1 ZINC000065396047 563959658 /nfs/dbraw/zinc/95/96/58/563959658.db2.gz LHEGAOVTRACPDQ-MRVPVSSYSA-N 1 0 330.240 3.567 50 0 EHAARO C[N@H+](CCC(=O)NC1CCCCC1)Cc1cccc2ncccc12 ZINC000065398955 563959838 /nfs/dbraw/zinc/95/98/38/563959838.db2.gz CFVWGISHALXASI-UHFFFAOYSA-N 1 0 325.456 3.506 50 0 EHAARO CCn1cc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c(C)n1 ZINC000065426363 563960635 /nfs/dbraw/zinc/96/06/35/563960635.db2.gz DCBPNIIUCQROIN-FCHUYYIVSA-N 1 0 349.478 3.715 50 0 EHAARO Cc1cccc2c(C[NH+]3CCN(c4nccc5occc54)CC3)c[nH]c21 ZINC000067431746 563962269 /nfs/dbraw/zinc/96/22/69/563962269.db2.gz GIKZVBGJAMIQFR-UHFFFAOYSA-N 1 0 346.434 3.940 50 0 EHAARO CC(C)[C@@H]1C[N@H+](CCCCF)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071552272 563964559 /nfs/dbraw/zinc/96/45/59/563964559.db2.gz GGUXTZZSRIPPCW-SFHVURJKSA-N 1 0 338.442 3.634 50 0 EHAARO CC(C)[C@@H]1CN(Cc2ccc(O)c(Cl)c2)CCC[N@@H+]1CC1CC1 ZINC000071721286 563964801 /nfs/dbraw/zinc/96/48/01/563964801.db2.gz CYJPZVRURVGRHE-SFHVURJKSA-N 1 0 336.907 3.988 50 0 EHAARO CC(C)(O)C[N@@H+]1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071746983 563965008 /nfs/dbraw/zinc/96/50/08/563965008.db2.gz HWEXCJGGAIQLDD-FQEVSTJZSA-N 1 0 339.479 3.680 50 0 EHAARO CC(C)[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CCC[N@@H+]1CC1CC1 ZINC000071748102 563965036 /nfs/dbraw/zinc/96/50/36/563965036.db2.gz DOLMULJDBJDOPY-FQEVSTJZSA-N 1 0 339.483 3.750 50 0 EHAARO CC(C)n1cnnc1C1CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000097082876 563967270 /nfs/dbraw/zinc/96/72/70/563967270.db2.gz MLBFJGXXGMMHKO-AWEZNQCLSA-N 1 0 339.443 3.941 50 0 EHAARO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000097110960 563967990 /nfs/dbraw/zinc/96/79/90/563967990.db2.gz ZKENRCJREWNSMN-UKRRQHHQSA-N 1 0 338.377 3.650 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1F ZINC000077323820 563968999 /nfs/dbraw/zinc/96/89/99/563968999.db2.gz PORBKDSCWZSNOG-HXUWFJFHSA-N 1 0 348.437 3.640 50 0 EHAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)CN1C1CC1 ZINC000077343382 563969088 /nfs/dbraw/zinc/96/90/88/563969088.db2.gz CLQJLCIODHGLAZ-OAQYLSRUSA-N 1 0 337.467 3.535 50 0 EHAARO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cccc(Br)n1 ZINC000585134644 563971856 /nfs/dbraw/zinc/97/18/56/563971856.db2.gz DISLHERCYFVCFQ-HIFRSBDPSA-N 1 0 349.272 3.661 50 0 EHAARO CC(C)N1C[C@@]2(CCCN(c3cc[nH+]c4ccccc43)C2)CCC1=O ZINC000082120701 563972477 /nfs/dbraw/zinc/97/24/77/563972477.db2.gz ZJTVZOAUKHGQKJ-NRFANRHFSA-N 1 0 337.467 3.852 50 0 EHAARO COc1ccccc1N1CCC([NH2+]Cc2cccn2C2CC2)CC1 ZINC000585140159 563973388 /nfs/dbraw/zinc/97/33/88/563973388.db2.gz FFROURAMRGUQSV-UHFFFAOYSA-N 1 0 325.456 3.590 50 0 EHAARO CCCc1nc(C)cc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)n1 ZINC000095506225 563977134 /nfs/dbraw/zinc/97/71/34/563977134.db2.gz IBFWVEDEYMEBND-AWEZNQCLSA-N 1 0 345.516 3.514 50 0 EHAARO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2nnc(-c3cccnc3)o2)C1 ZINC000095522110 563977424 /nfs/dbraw/zinc/97/74/24/563977424.db2.gz OHPHRKNKFWZYPA-HXUWFJFHSA-N 1 0 334.423 3.685 50 0 EHAARO C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc32)CC1 ZINC000000190853 563988141 /nfs/dbraw/zinc/98/81/41/563988141.db2.gz ZDYMTKHBFSGCKG-UHFFFAOYSA-N 1 0 338.842 3.702 50 0 EHAARO CC[NH+]1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc32)CC1 ZINC000000306993 563990896 /nfs/dbraw/zinc/99/08/96/563990896.db2.gz KHYJVMZGHNYTNP-UHFFFAOYSA-N 1 0 332.451 3.747 50 0 EHAARO C(=C/[C@@H]1CCCN1Cc1noc(C2CCOCC2)n1)\c1ccccc1 ZINC000253425710 563999209 /nfs/dbraw/zinc/99/92/09/563999209.db2.gz LPMUQOBVCPOJPJ-BLGFXRMMSA-N 1 0 339.439 3.641 50 0 EHAARO C[C@@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC[N@@H+]1C ZINC000182863327 564001263 /nfs/dbraw/zinc/00/12/63/564001263.db2.gz WOAVPRXAFSJWMU-VQIMIIECSA-N 1 0 344.503 3.989 50 0 EHAARO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2C)cc1 ZINC000151876316 564004818 /nfs/dbraw/zinc/00/48/18/564004818.db2.gz XFCJGVSPPGCBCM-HZPDHXFCSA-N 1 0 346.496 3.623 50 0 EHAARO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)cc1 ZINC000151876388 564004842 /nfs/dbraw/zinc/00/48/42/564004842.db2.gz XFCJGVSPPGCBCM-CVEARBPZSA-N 1 0 346.496 3.623 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000000528398 564012510 /nfs/dbraw/zinc/01/25/10/564012510.db2.gz MZHHQHDJNHIRME-UHFFFAOYSA-N 1 0 343.858 3.734 50 0 EHAARO FC(F)(F)c1ccc([C@H]2CN(Cc3cncs3)CCO2)cc1 ZINC000180775764 564013550 /nfs/dbraw/zinc/01/35/50/564013550.db2.gz SIGKZSSILSSSCO-CQSZACIVSA-N 1 0 328.359 3.735 50 0 EHAARO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000014141817 564021466 /nfs/dbraw/zinc/02/14/66/564021466.db2.gz WBYVESQELBLVNO-ZDUSSCGKSA-N 1 0 336.357 3.672 50 0 EHAARO c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000108489218 564028286 /nfs/dbraw/zinc/02/82/86/564028286.db2.gz KIHPVFXNHLCTQG-SZMVWBNQSA-N 1 0 335.538 3.661 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000046049966 564029359 /nfs/dbraw/zinc/02/93/59/564029359.db2.gz UBLMNYOLHUZHID-UHFFFAOYSA-N 1 0 329.271 3.844 50 0 EHAARO Cc1ccccc1C[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000048314444 564030880 /nfs/dbraw/zinc/03/08/80/564030880.db2.gz SUJMZMWXWXRERU-UHFFFAOYSA-N 1 0 330.229 3.695 50 0 EHAARO Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)c1 ZINC000048744721 564032143 /nfs/dbraw/zinc/03/21/43/564032143.db2.gz BKQKBAAWAWPQAI-INIZCTEOSA-N 1 0 338.451 3.503 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1F ZINC000024084140 564036426 /nfs/dbraw/zinc/03/64/26/564036426.db2.gz PGVNAYOLBOJYIK-LBPRGKRZSA-N 1 0 349.402 3.711 50 0 EHAARO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000222291154 564036775 /nfs/dbraw/zinc/03/67/75/564036775.db2.gz CJUATAKIBQBBEQ-RDJZCZTQSA-N 1 0 334.423 3.757 50 0 EHAARO CN(Cc1ccccc1Cl)c1cc(C2CC([NH3+])C2)nc(C2CC2)n1 ZINC000223617913 564040458 /nfs/dbraw/zinc/04/04/58/564040458.db2.gz MNKIRQIYZXJDJR-UHFFFAOYSA-N 1 0 342.874 3.849 50 0 EHAARO C[S@@](=O)CC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000225395355 564046402 /nfs/dbraw/zinc/04/64/02/564046402.db2.gz GZEAGKCQZFNURH-HXUWFJFHSA-N 1 0 332.252 3.722 50 0 EHAARO Fc1ccc(C2(C[NH2+][C@H](Cn3cncn3)C3CC3)CCCCC2)cc1 ZINC000225406545 564046466 /nfs/dbraw/zinc/04/64/66/564046466.db2.gz FWQCXCGLISVGOD-LJQANCHMSA-N 1 0 342.462 3.688 50 0 EHAARO CCCCc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000225521488 564047521 /nfs/dbraw/zinc/04/75/21/564047521.db2.gz UKBFUVMTXCTDOG-UHFFFAOYSA-N 1 0 340.471 3.991 50 0 EHAARO CCCCN(C)c1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000241564191 564052039 /nfs/dbraw/zinc/05/20/39/564052039.db2.gz OSBNNCCSBRJLQU-XLIONFOSSA-N 1 0 343.515 3.622 50 0 EHAARO CN(CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000012541031 564058653 /nfs/dbraw/zinc/05/86/53/564058653.db2.gz NFTMQRQEUWUOLW-UHFFFAOYSA-N 1 0 338.430 3.832 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)cc3)c(C)c2)CC1 ZINC000012545298 564058830 /nfs/dbraw/zinc/05/88/30/564058830.db2.gz JOFSRFAGZMJNPI-UHFFFAOYSA-N 1 0 337.467 3.698 50 0 EHAARO CCOc1ccc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CCCC2)cc1 ZINC000534655209 564061435 /nfs/dbraw/zinc/06/14/35/564061435.db2.gz AMEUOCWGPSAMJD-MRXNPFEDSA-N 1 0 347.503 3.662 50 0 EHAARO COc1cc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1OC ZINC000083472301 564063268 /nfs/dbraw/zinc/06/32/68/564063268.db2.gz NDDNYOSNDRFBCE-DYESRHJHSA-N 1 0 341.451 3.880 50 0 EHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000012756617 564067327 /nfs/dbraw/zinc/06/73/27/564067327.db2.gz MUBWPVUEIFXKDS-IBGZPJMESA-N 1 0 325.408 3.819 50 0 EHAARO CS[C@H]1CCC[C@@H]1[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000084200152 564067357 /nfs/dbraw/zinc/06/73/57/564067357.db2.gz SKCLLAYNYOHHQW-HOTGVXAUSA-N 1 0 342.549 3.849 50 0 EHAARO Cc1nnc2n1C[C@H](C[NH2+]Cc1cc(-c3cccs3)cs1)CC2 ZINC000084296911 564067706 /nfs/dbraw/zinc/06/77/06/564067706.db2.gz UWKPJHWPDIWHJH-ZDUSSCGKSA-N 1 0 344.509 3.729 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000012772065 564068963 /nfs/dbraw/zinc/06/89/63/564068963.db2.gz JXQZNBOLFRVMGY-INIZCTEOSA-N 1 0 338.785 3.651 50 0 EHAARO CCc1ccccc1NC(=O)CN(Cc1ccccc1F)C1CC1 ZINC000012779976 564069773 /nfs/dbraw/zinc/06/97/73/564069773.db2.gz RMFYAPUVPIFLJH-UHFFFAOYSA-N 1 0 326.415 3.991 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000084736377 564069950 /nfs/dbraw/zinc/06/99/50/564069950.db2.gz JURFAVRHTWMNKQ-YJBOKZPZSA-N 1 0 327.472 3.541 50 0 EHAARO CC(C)[NH+](CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(C)C ZINC000012816365 564073165 /nfs/dbraw/zinc/07/31/65/564073165.db2.gz BJDAECCHSXRRKQ-UHFFFAOYSA-N 1 0 340.895 3.732 50 0 EHAARO CC(C)c1nccn1CC1CCN(C(=O)NCc2cccs2)CC1 ZINC000085436359 564073204 /nfs/dbraw/zinc/07/32/04/564073204.db2.gz WJDBGAHOZWFDNG-UHFFFAOYSA-N 1 0 346.500 3.690 50 0 EHAARO Cc1ccc(NC(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)cc1C ZINC000085473237 564073514 /nfs/dbraw/zinc/07/35/14/564073514.db2.gz BFPSADLSXDPLDX-GOSISDBHSA-N 1 0 347.528 3.739 50 0 EHAARO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000248627496 564075516 /nfs/dbraw/zinc/07/55/16/564075516.db2.gz QCNAYWGTQWLYAL-ZIAGYGMSSA-N 1 0 328.485 3.753 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)CCCc1c[nH]c2ccccc12 ZINC000012922060 564078390 /nfs/dbraw/zinc/07/83/90/564078390.db2.gz FGUDVDOJZPXFRY-UHFFFAOYSA-N 1 0 349.478 3.869 50 0 EHAARO Cc1noc(C)c1C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575621658 564083947 /nfs/dbraw/zinc/08/39/47/564083947.db2.gz QKFZRAIKJICJRI-HNNXBMFYSA-N 1 0 343.452 3.539 50 0 EHAARO C[C@H](Cc1ccsc1)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000090667683 564085840 /nfs/dbraw/zinc/08/58/40/564085840.db2.gz CQIMUYSRYCMGAF-HZPDHXFCSA-N 1 0 329.513 3.889 50 0 EHAARO C[C@@H](NC(=O)NCc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000013005483 564086395 /nfs/dbraw/zinc/08/63/95/564086395.db2.gz NGBDGVDROOTNSX-XLIONFOSSA-N 1 0 337.467 3.711 50 0 EHAARO COc1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(Cl)c1 ZINC000239539178 564088172 /nfs/dbraw/zinc/08/81/72/564088172.db2.gz AVQRSXCEGMQWEE-KBAYOESNSA-N 1 0 335.875 3.828 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)[C@H]1COc2ccccc21 ZINC000246510586 564089227 /nfs/dbraw/zinc/08/92/27/564089227.db2.gz UAKSUFWQJPDQSL-IFZUDLHKSA-N 1 0 329.465 3.639 50 0 EHAARO CSc1ccc(Cl)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000089493833 564090805 /nfs/dbraw/zinc/09/08/05/564090805.db2.gz YVDIUYKXCHSVOX-ZDUSSCGKSA-N 1 0 338.904 3.620 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC000006588984 564092362 /nfs/dbraw/zinc/09/23/62/564092362.db2.gz BRHWMJGSMSDOEK-IBGZPJMESA-N 1 0 334.419 3.578 50 0 EHAARO Brc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000006599592 564092583 /nfs/dbraw/zinc/09/25/83/564092583.db2.gz ROVDJGSWVWVURM-UHFFFAOYSA-N 1 0 349.272 3.796 50 0 EHAARO Cc1nc2ccccn2c1C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000089547721 564092811 /nfs/dbraw/zinc/09/28/11/564092811.db2.gz WOMLVOPFQYMLEC-UHFFFAOYSA-N 1 0 339.414 3.577 50 0 EHAARO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC000006605403 564093114 /nfs/dbraw/zinc/09/31/14/564093114.db2.gz TZCTZRCNJIEPCK-UONOGXRCSA-N 1 0 336.863 3.799 50 0 EHAARO CCn1cc(CN(C)Cc2ccc(C[NH+]3CCCC3)s2)c(C)n1 ZINC000426392728 564093610 /nfs/dbraw/zinc/09/36/10/564093610.db2.gz GCDGCODLYOWGFO-UHFFFAOYSA-N 1 0 332.517 3.501 50 0 EHAARO Cc1cnccc1-c1cccc(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000426486410 564093887 /nfs/dbraw/zinc/09/38/87/564093887.db2.gz PMDPGGFLLQLCSN-KRWDZBQOSA-N 1 0 349.478 3.756 50 0 EHAARO O=C(NCC1CCCCC1)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818100 564096528 /nfs/dbraw/zinc/09/65/28/564096528.db2.gz MOOKXAKXOBGLEX-UHFFFAOYSA-N 1 0 330.447 3.654 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2o1 ZINC000064968370 564098736 /nfs/dbraw/zinc/09/87/36/564098736.db2.gz CHJPPIZFEUZJCO-AWEZNQCLSA-N 1 0 329.444 3.555 50 0 EHAARO Cc1scc(-c2nnc(SCC[NH+]3CCCCC3)n2C)c1C ZINC000006825328 564098921 /nfs/dbraw/zinc/09/89/21/564098921.db2.gz MTGZDBFOUBWHPS-UHFFFAOYSA-N 1 0 336.530 3.738 50 0 EHAARO Cc1cc(N2CCC([NH2+]Cc3cc(C)c(C)cc3C)CC2)nc(C)n1 ZINC000170021713 564104839 /nfs/dbraw/zinc/10/48/39/564104839.db2.gz MAOPMHOKQJATAY-UHFFFAOYSA-N 1 0 338.499 3.777 50 0 EHAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C(C)C ZINC000065322486 564105261 /nfs/dbraw/zinc/10/52/61/564105261.db2.gz PGLGLLGOKBISDR-UHFFFAOYSA-N 1 0 328.460 3.952 50 0 EHAARO Cn1cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c(C(F)F)n1 ZINC000170598069 564109195 /nfs/dbraw/zinc/10/91/95/564109195.db2.gz IIAATOBMKDOMPA-CYBMUJFWSA-N 1 0 337.439 3.972 50 0 EHAARO C[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013320478 564111458 /nfs/dbraw/zinc/11/14/58/564111458.db2.gz ANUAADBCQRQPKC-UHFFFAOYSA-N 1 0 335.757 3.575 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249679994 564111692 /nfs/dbraw/zinc/11/16/92/564111692.db2.gz AAZAVONODRBHGA-JONQDZQNSA-N 1 0 346.437 3.830 50 0 EHAARO CC(C)C(=O)NC1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000170633015 564116381 /nfs/dbraw/zinc/11/63/81/564116381.db2.gz XMEZNTWYUGFBCB-UHFFFAOYSA-N 1 0 331.847 3.629 50 0 EHAARO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000252500757 564119850 /nfs/dbraw/zinc/11/98/50/564119850.db2.gz TVALGJWBVOLPHO-QXAKKESOSA-N 1 0 346.540 3.755 50 0 EHAARO CCCC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000065909675 564122188 /nfs/dbraw/zinc/12/21/88/564122188.db2.gz YEMCEUMIDQOUBW-UHFFFAOYSA-N 1 0 342.405 3.928 50 0 EHAARO C[C@H]1c2ccsc2CCN1CC(=O)NCc1ccccc1Cl ZINC000007878323 564124321 /nfs/dbraw/zinc/12/43/21/564124321.db2.gz PWRCMWDGFZNNCO-LBPRGKRZSA-N 1 0 334.872 3.637 50 0 EHAARO CC(C)(C)c1cnc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)s1 ZINC000253429632 564131281 /nfs/dbraw/zinc/13/12/81/564131281.db2.gz UHFWLFGXIAUDFG-WBMJQRKESA-N 1 0 326.531 3.585 50 0 EHAARO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccoc2Cl)cc1 ZINC000225497108 564135369 /nfs/dbraw/zinc/13/53/69/564135369.db2.gz XRNKOXCHRFBUNI-MRXNPFEDSA-N 1 0 348.830 3.509 50 0 EHAARO COc1cccc(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccc(Cl)cc2)c1 ZINC000013142160 564136060 /nfs/dbraw/zinc/13/60/60/564136060.db2.gz HVRINZSEISPUSB-MSOLQXFVSA-N 1 0 329.827 3.877 50 0 EHAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000078897979 564137377 /nfs/dbraw/zinc/13/73/77/564137377.db2.gz LEKAMMQRPQIESZ-GUYCJALGSA-N 1 0 328.481 3.638 50 0 EHAARO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cncc(F)c3)CC2)cs1 ZINC000095422299 564140043 /nfs/dbraw/zinc/14/00/43/564140043.db2.gz MQKJYZHMSLVJCE-ZDUSSCGKSA-N 1 0 348.491 3.548 50 0 EHAARO Cc1nccn1CCCCNC(=O)[C@@H](C)CSCc1ccccc1 ZINC000095431012 564140336 /nfs/dbraw/zinc/14/03/36/564140336.db2.gz SCXNVJPINXFTCM-INIZCTEOSA-N 1 0 345.512 3.657 50 0 EHAARO Cc1cc(C)n(C[C@@H](C)C[NH2+][C@@H](c2ccccc2)c2ccccn2)n1 ZINC000095466211 564141038 /nfs/dbraw/zinc/14/10/38/564141038.db2.gz POCVITKHUARUBH-KKSFZXQISA-N 1 0 334.467 3.910 50 0 EHAARO CCc1ccccc1NC(=O)C[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000095940804 564142012 /nfs/dbraw/zinc/14/20/12/564142012.db2.gz FPKCVMBDZGJWFH-INIZCTEOSA-N 1 0 325.456 3.536 50 0 EHAARO C[C@H]([NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccs1 ZINC000095969306 564143361 /nfs/dbraw/zinc/14/33/61/564143361.db2.gz DYZSEWUSBKPHLM-RDJZCZTQSA-N 1 0 328.481 3.632 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccccc1C(F)(F)F ZINC000095971515 564143431 /nfs/dbraw/zinc/14/34/31/564143431.db2.gz KNUQXZYJODYFBI-UHFFFAOYSA-N 1 0 336.357 3.996 50 0 EHAARO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCCN(c2ccccc2F)C1=O ZINC000095983739 564143793 /nfs/dbraw/zinc/14/37/93/564143793.db2.gz JFXBYXLZTNCKGB-KDOFPFPSSA-N 1 0 344.405 3.681 50 0 EHAARO CCc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(C)cc1O ZINC000095996990 564144274 /nfs/dbraw/zinc/14/42/74/564144274.db2.gz SCFVBHPICGTROJ-UHFFFAOYSA-N 1 0 341.451 3.839 50 0 EHAARO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156648726 564146915 /nfs/dbraw/zinc/14/69/15/564146915.db2.gz AUQPOWMCYBTVAZ-GFCCVEGCSA-N 1 0 340.349 3.575 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2cccs2)cc1Cn1cccn1 ZINC000096476367 564148430 /nfs/dbraw/zinc/14/84/30/564148430.db2.gz ZZXREYCAIKMQRG-AWEZNQCLSA-N 1 0 327.453 3.852 50 0 EHAARO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000097139730 564149460 /nfs/dbraw/zinc/14/94/60/564149460.db2.gz HLJSWSCAHWOLBK-UHFFFAOYSA-N 1 0 328.419 3.769 50 0 EHAARO CN(CC(=O)N(C1CCCCC1)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000002638900 564151636 /nfs/dbraw/zinc/15/16/36/564151636.db2.gz AAFYMMBIRDRMAT-UHFFFAOYSA-N 1 0 349.563 3.506 50 0 EHAARO CC(=O)c1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000057315485 564153522 /nfs/dbraw/zinc/15/35/22/564153522.db2.gz BDNDWMIAFDOVPY-GFCCVEGCSA-N 1 0 330.815 3.832 50 0 EHAARO CC[N@H+](Cc1cccs1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000057318507 564153588 /nfs/dbraw/zinc/15/35/88/564153588.db2.gz UDKVJROITWCYQS-UHFFFAOYSA-N 1 0 329.421 3.885 50 0 EHAARO CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000057861395 564156258 /nfs/dbraw/zinc/15/62/58/564156258.db2.gz WCVCZEROBMZLKI-KRWDZBQOSA-N 1 0 327.428 3.785 50 0 EHAARO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CCS2 ZINC000163085767 564156479 /nfs/dbraw/zinc/15/64/79/564156479.db2.gz CWHGOOZLIUNIPB-RISCZKNCSA-N 1 0 348.409 3.836 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000032398784 564161347 /nfs/dbraw/zinc/16/13/47/564161347.db2.gz CTSJZHVMJXYXHJ-UHFFFAOYSA-N 1 0 328.843 3.518 50 0 EHAARO O=C(Cc1c[nH]c2ccccc12)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007989764 564161973 /nfs/dbraw/zinc/16/19/73/564161973.db2.gz JHUHYPSZEOXUED-UHFFFAOYSA-N 1 0 333.435 3.945 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000008325399 564164415 /nfs/dbraw/zinc/16/44/15/564164415.db2.gz AINTZJVTAZVIBW-OAHLLOKOSA-N 1 0 333.819 3.892 50 0 EHAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000069485730 564169811 /nfs/dbraw/zinc/16/98/11/564169811.db2.gz MCTJOVGINRSMSP-HOCLYGCPSA-N 1 0 342.405 3.569 50 0 EHAARO Fc1cccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000069630126 564171065 /nfs/dbraw/zinc/17/10/65/564171065.db2.gz NIXSRPIHELLZIW-OAHLLOKOSA-N 1 0 338.386 3.650 50 0 EHAARO CC(C)(C)n1cc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)cn1 ZINC000069712063 564171724 /nfs/dbraw/zinc/17/17/24/564171724.db2.gz BTCRJPWCWJBWBP-UHFFFAOYSA-N 1 0 328.460 3.644 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000069845338 564172464 /nfs/dbraw/zinc/17/24/64/564172464.db2.gz JXQBLDVQTDKJNI-HOTGVXAUSA-N 1 0 342.405 3.733 50 0 EHAARO Cc1cc(F)ccc1C[NH2+]Cc1cccc(C(=O)N2CCCC2)c1 ZINC000071792528 564175347 /nfs/dbraw/zinc/17/53/47/564175347.db2.gz QUHWZTIUFHPYIZ-UHFFFAOYSA-N 1 0 326.415 3.660 50 0 EHAARO CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)C1 ZINC000071870815 564176170 /nfs/dbraw/zinc/17/61/70/564176170.db2.gz LNEWLEVAAXETEU-PMPSAXMXSA-N 1 0 343.496 3.783 50 0 EHAARO Nc1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000066341711 568415422 /nfs/dbraw/zinc/41/54/22/568415422.db2.gz JATSJQDJFUHEDO-UHFFFAOYSA-N 1 0 335.373 3.610 50 0 EHAARO C/C=C\c1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000096635239 1032351385 /nfs/dbraw/zinc/35/13/85/1032351385.db2.gz ZQQSNXDRBULUOO-MPYGFJLXSA-N 1 0 333.472 3.733 50 0 EHAARO CC(C)[N@@H+]1CC2(CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1ccccc1 ZINC000257188321 1032706439 /nfs/dbraw/zinc/70/64/39/1032706439.db2.gz MOQRLZMLYCRPHC-IBGZPJMESA-N 1 0 338.451 3.967 50 0 EHAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000022078363 1017588822 /nfs/dbraw/zinc/58/88/22/1017588822.db2.gz FUTZHFNMNGFUOM-GCJKJVERSA-N 1 0 336.479 3.934 50 0 EHAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000022078371 1017589158 /nfs/dbraw/zinc/58/91/58/1017589158.db2.gz FUTZHFNMNGFUOM-PGRDOPGGSA-N 1 0 336.479 3.934 50 0 EHAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000575549681 1025982087 /nfs/dbraw/zinc/98/20/87/1025982087.db2.gz LQFUAVQPZFSTIT-UHFFFAOYSA-N 1 0 325.456 3.686 50 0 EHAARO OCC[C@@H]1CN(C/C(Cl)=C/c2ccccc2)CC[N@@H+]1C1CCCC1 ZINC000022932602 1026446374 /nfs/dbraw/zinc/44/63/74/1026446374.db2.gz QGZBQKDNTGJNSX-BKHFDQEPSA-N 1 0 348.918 3.578 50 0 EHAARO Cc1ncccc1C[NH2+]C1CCC(Oc2ncccc2Cl)CC1 ZINC000186514540 1027490440 /nfs/dbraw/zinc/49/04/40/1027490440.db2.gz LGPLBLMBVJKOSP-UHFFFAOYSA-N 1 0 331.847 3.918 50 0 EHAARO O=C(Nc1ccccc1OC1CCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171524267 1034439047 /nfs/dbraw/zinc/43/90/47/1034439047.db2.gz MXWCZSINWLDJSH-INIZCTEOSA-N 1 0 343.471 3.710 50 0 EHAARO [NH3+]C1(c2nc(-c3cccc(N4CCCC4=O)c3)cs2)CCCC1 ZINC000434658663 1039319835 /nfs/dbraw/zinc/31/98/35/1039319835.db2.gz HFQVGPYCOXESSU-UHFFFAOYSA-N 1 0 327.453 3.665 50 0 EHAARO Cn1cc(NC(=O)C2C[NH+](C3CCCCC3)C2)c(C2CCCCC2)n1 ZINC000333788285 1041740758 /nfs/dbraw/zinc/74/07/58/1041740758.db2.gz WYEXVUVXLOGRIL-UHFFFAOYSA-N 1 0 344.503 3.671 50 0 EHAARO COCc1csc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000888102133 1043288111 /nfs/dbraw/zinc/28/81/11/1043288111.db2.gz DHERQZZJXIIXQI-MRXNPFEDSA-N 1 0 344.480 3.745 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)/C=C\c1cccc(Cl)c1)c1ccccc1 ZINC000033689705 1122980105 /nfs/dbraw/zinc/98/01/05/1122980105.db2.gz FEEBVMWXLMFHPL-YUIUBULTSA-N 1 0 328.843 3.772 50 0 EHAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@H+](Cc1cc3ccccc3o1)C2 ZINC000012763619 1129460197 /nfs/dbraw/zinc/46/01/97/1129460197.db2.gz JLOUNMNXJGAAJD-NRFANRHFSA-N 1 0 338.451 3.657 50 0 EHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)CCCO2 ZINC000828166655 1131424068 /nfs/dbraw/zinc/42/40/68/1131424068.db2.gz UYYFPLZXPAUKGJ-UHFFFAOYSA-N 1 0 336.435 3.860 50 0 EHAARO COc1ccc2[nH]c(C[N@H+](CCCO)Cc3cccs3)c(C)c2c1 ZINC000828752909 1131444253 /nfs/dbraw/zinc/44/42/53/1131444253.db2.gz MJAFIUXCTUZXPU-UHFFFAOYSA-N 1 0 344.480 3.931 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)Cc2cccs2)CC1 ZINC000581787805 1132356765 /nfs/dbraw/zinc/35/67/65/1132356765.db2.gz CXEBUQCWJDWYRI-KRWDZBQOSA-N 1 0 334.529 3.794 50 0 EHAARO C[NH+]1CCC(Cc2ccc(CN(CC3CC3)C(=O)C3CC3)cc2)CC1 ZINC000581810265 1132371520 /nfs/dbraw/zinc/37/15/20/1132371520.db2.gz JRKGFSSAZRJMCJ-UHFFFAOYSA-N 1 0 340.511 3.720 50 0 EHAARO CC(C)C(=O)N1CCC(Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000581810027 1132371720 /nfs/dbraw/zinc/37/17/20/1132371720.db2.gz BRJCDSQBGNIJPB-UHFFFAOYSA-N 1 0 328.500 3.720 50 0 EHAARO C[C@H](CC1CC1)[NH+]1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 ZINC000048187603 1134714740 /nfs/dbraw/zinc/71/47/40/1134714740.db2.gz OLUGRNKHJGPQOB-CQSZACIVSA-N 1 0 328.435 3.910 50 0 EHAARO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cccnc1N(C)C ZINC000585084380 1136973131 /nfs/dbraw/zinc/97/31/31/1136973131.db2.gz TYXSWJRDUQKXNQ-LJQANCHMSA-N 1 0 325.456 3.666 50 0 EHAARO O[C@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CCC1 ZINC000585133490 1137021627 /nfs/dbraw/zinc/02/16/27/1137021627.db2.gz JOYLYALKXNJCEU-KRWDZBQOSA-N 1 0 327.428 3.556 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)c1ccnn1C ZINC000192732506 1137456668 /nfs/dbraw/zinc/45/66/68/1137456668.db2.gz IXSJMXAUQYIBDU-ZDUSSCGKSA-N 1 0 326.375 3.597 50 0 EHAARO CCSc1ncc(C[N@H+](Cc2ccccc2C)[C@@H](C)COC)cn1 ZINC000952868212 1137482977 /nfs/dbraw/zinc/48/29/77/1137482977.db2.gz FMKOPMZNFFXUDA-INIZCTEOSA-N 1 0 345.512 3.934 50 0 EHAARO COc1cccc(C)c1C(=O)N(CC[NH+](C)C)Cc1ccc(C)cc1 ZINC000952971886 1137484205 /nfs/dbraw/zinc/48/42/05/1137484205.db2.gz GPWUQDPKOJLLNW-UHFFFAOYSA-N 1 0 340.467 3.516 50 0 EHAARO CC(C)n1ccc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)n1 ZINC000952979939 1137484799 /nfs/dbraw/zinc/48/47/99/1137484799.db2.gz SKTFKJUYDYTIFN-UHFFFAOYSA-N 1 0 326.444 3.702 50 0 EHAARO O=C(NCc1cc2ccccc2o1)C1([NH+]2CCCC2)CCCCC1 ZINC000952968443 1137485073 /nfs/dbraw/zinc/48/50/73/1137485073.db2.gz MUEPGQSGDINMJB-UHFFFAOYSA-N 1 0 326.440 3.848 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCSCc1ccccc1Cl ZINC000097637917 219043386 /nfs/dbraw/zinc/04/33/86/219043386.db2.gz JBNKCKHKUOHWQR-MRXNPFEDSA-N 1 0 340.920 3.564 50 0 EHAARO Cc1cc(NC(=O)CC[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)no1 ZINC000051406996 214092066 /nfs/dbraw/zinc/09/20/66/214092066.db2.gz VARPVCMUGIJPHW-UHFFFAOYSA-N 1 0 342.226 3.750 50 0 EHAARO C[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCCC1 ZINC000053814318 214200801 /nfs/dbraw/zinc/20/08/01/214200801.db2.gz VMRIGXPIJFPMIP-IBGZPJMESA-N 1 0 328.481 3.828 50 0 EHAARO CN(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 ZINC000053945847 214207882 /nfs/dbraw/zinc/20/78/82/214207882.db2.gz MSSSSGHHGIYLOC-INIZCTEOSA-N 1 0 344.459 3.670 50 0 EHAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@H]1c1cc(C)no1)=C2 ZINC000097713576 219050436 /nfs/dbraw/zinc/05/04/36/219050436.db2.gz AECXIIGAQXGMDU-INIZCTEOSA-N 1 0 326.396 3.605 50 0 EHAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1ccc(NC(C)=O)cc1 ZINC000055182716 214284572 /nfs/dbraw/zinc/28/45/72/214284572.db2.gz ZQLVPNVUHSJDBA-UHFFFAOYSA-N 1 0 326.440 3.602 50 0 EHAARO C[NH+]1CCC(CCNC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000055272039 214298670 /nfs/dbraw/zinc/29/86/70/214298670.db2.gz ZVZFBVVEIXNAFD-DLIHROTGSA-N 1 0 332.532 3.831 50 0 EHAARO COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1OCC[NH+](C)C ZINC000055271894 214299232 /nfs/dbraw/zinc/29/92/32/214299232.db2.gz ZEXQOSJXDWCAFI-UHFFFAOYSA-N 1 0 339.439 3.796 50 0 EHAARO Clc1ccccc1COc1ccccc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097766460 219055600 /nfs/dbraw/zinc/05/56/00/219055600.db2.gz FDJRHRSCGRZGNV-UHFFFAOYSA-N 1 0 339.826 3.955 50 0 EHAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1 ZINC000004679640 210245453 /nfs/dbraw/zinc/24/54/53/210245453.db2.gz HPGINHCJNCLLRW-MRXNPFEDSA-N 1 0 340.442 3.915 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000049622780 214022591 /nfs/dbraw/zinc/02/25/91/214022591.db2.gz JDLPEWZIDQHKHD-NRFANRHFSA-N 1 0 332.447 3.743 50 0 EHAARO O[C@H](C[NH2+]Cc1ccccc1)COc1ccc(Cl)cc1Cl ZINC000004302951 210163626 /nfs/dbraw/zinc/16/36/26/210163626.db2.gz XEMHKBCCOZNPBO-CQSZACIVSA-N 1 0 326.223 3.523 50 0 EHAARO O[C@@H](C[NH2+]CCc1ccc(Cl)cc1Cl)COc1ccccc1 ZINC000003311834 210003295 /nfs/dbraw/zinc/00/32/95/210003295.db2.gz JCAAXTHZODTZFD-HNNXBMFYSA-N 1 0 340.250 3.565 50 0 EHAARO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccco3)C2)cc1C ZINC000067676066 215182358 /nfs/dbraw/zinc/18/23/58/215182358.db2.gz SYHAGSPWSGGBDP-MRXNPFEDSA-N 1 0 327.428 3.540 50 0 EHAARO Cc1ccc(C2(O)CC[NH+](CCCCOc3ccccc3)CC2)nc1 ZINC000067725554 215196374 /nfs/dbraw/zinc/19/63/74/215196374.db2.gz XKBOPPYLBLSJKH-UHFFFAOYSA-N 1 0 340.467 3.533 50 0 EHAARO C[C@@H](Sc1ccccn1)c1nc(CCC[NH+]2CCC(C)CC2)no1 ZINC000127079596 222789189 /nfs/dbraw/zinc/78/91/89/222789189.db2.gz QXAXNJOWVUFKTQ-OAHLLOKOSA-N 1 0 346.500 3.982 50 0 EHAARO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069325890 215378556 /nfs/dbraw/zinc/37/85/56/215378556.db2.gz QAJQMZPHLNQYEM-SFHVURJKSA-N 1 0 328.843 3.621 50 0 EHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000069377224 215393831 /nfs/dbraw/zinc/39/38/31/215393831.db2.gz CUYYIPTWALRXFD-SOLBZPMBSA-N 1 0 337.467 3.712 50 0 EHAARO CN(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccsc1 ZINC000040091389 213262868 /nfs/dbraw/zinc/26/28/68/213262868.db2.gz SAWLNXPFQDOUFR-KRWDZBQOSA-N 1 0 344.459 3.670 50 0 EHAARO CSc1ccccc1C(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038583862 213216445 /nfs/dbraw/zinc/21/64/45/213216445.db2.gz SKFHNNSEKAWARV-UHFFFAOYSA-N 1 0 344.480 3.644 50 0 EHAARO CCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)[NH+]2CCCCC2)c1=O ZINC000038545829 213213322 /nfs/dbraw/zinc/21/33/22/213213322.db2.gz WLVRGIXULOYCSQ-FQEVSTJZSA-N 1 0 340.467 3.766 50 0 EHAARO CCOc1ccc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036847556 213123187 /nfs/dbraw/zinc/12/31/87/213123187.db2.gz OHQMANMYSVAPKK-GJZGRUSLSA-N 1 0 335.517 3.635 50 0 EHAARO Cc1c(CNC(=O)c2ccc([C@@H]3CC[NH2+]C3)cc2)oc2ccccc12 ZINC000072129015 216019698 /nfs/dbraw/zinc/01/96/98/216019698.db2.gz WQKKXTHADLGNOQ-QGZVFWFLSA-N 1 0 334.419 3.748 50 0 EHAARO C[NH+]1CCC(N(Cc2cccnc2)Cc2cc(F)ccc2Cl)CC1 ZINC000072122367 216014677 /nfs/dbraw/zinc/01/46/77/216014677.db2.gz OHSWRAXKOUUMKL-UHFFFAOYSA-N 1 0 347.865 3.971 50 0 EHAARO C[NH+](C)CCNc1cc(-c2cnc3ccccc3c2)c2cc[nH]c2n1 ZINC000072133376 216022405 /nfs/dbraw/zinc/02/24/05/216022405.db2.gz IHFOPPYZEURNBT-UHFFFAOYSA-N 1 0 331.423 3.752 50 0 EHAARO CC(C)c1nccc(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)n1 ZINC000072168532 216059051 /nfs/dbraw/zinc/05/90/51/216059051.db2.gz ZTSNLXDJDPKBPV-UHFFFAOYSA-N 1 0 349.482 3.866 50 0 EHAARO CN1C[C@@]2(CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)OC1=O ZINC000072429832 216222737 /nfs/dbraw/zinc/22/27/37/216222737.db2.gz QOYQJKUVFLEIOK-OAQYLSRUSA-N 1 0 336.435 3.770 50 0 EHAARO C[C@@H](O)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072438664 216234463 /nfs/dbraw/zinc/23/44/63/216234463.db2.gz GRAQQGQJDLBUCX-MRXNPFEDSA-N 1 0 341.499 3.947 50 0 EHAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)C[C@H]2C=CCC2)CC1 ZINC000072453418 216241617 /nfs/dbraw/zinc/24/16/17/216241617.db2.gz UZUJIHWQOXGZJF-IBGZPJMESA-N 1 0 326.484 3.508 50 0 EHAARO c1ccc(C[N@@H+]2CCC[C@H](Nc3nccc(C4CCCC4)n3)C2)nc1 ZINC000072474710 216252064 /nfs/dbraw/zinc/25/20/64/216252064.db2.gz PZZSYKBLSHVZEV-SFHVURJKSA-N 1 0 337.471 3.606 50 0 EHAARO CN(Cc1ccc(Cl)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000026179704 212510348 /nfs/dbraw/zinc/51/03/48/212510348.db2.gz DGPKPRMXWMJYSX-UHFFFAOYSA-N 1 0 337.895 3.791 50 0 EHAARO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000073104292 216350441 /nfs/dbraw/zinc/35/04/41/216350441.db2.gz LZMNIUSXWXUGHX-YESZJQIVSA-N 1 0 342.483 3.659 50 0 EHAARO COc1ccc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)cc1F ZINC000023373125 212372084 /nfs/dbraw/zinc/37/20/84/212372084.db2.gz MTTNCEAOECIPGF-GOSISDBHSA-N 1 0 334.479 3.969 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1(c2ccccc2)CCC1 ZINC000023174995 212357854 /nfs/dbraw/zinc/35/78/54/212357854.db2.gz UHSYQDSWZHTPNP-UHFFFAOYSA-N 1 0 348.490 3.889 50 0 EHAARO O=C(Nc1ccccc1)C1CC[NH+](CCOc2ccccc2F)CC1 ZINC000023039710 212343614 /nfs/dbraw/zinc/34/36/14/212343614.db2.gz UJZGGOFSMGNING-UHFFFAOYSA-N 1 0 342.414 3.555 50 0 EHAARO OCCC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216311631 241182386 /nfs/dbraw/zinc/18/23/86/241182386.db2.gz NBMVZKBJRYYVFC-GOSISDBHSA-N 1 0 345.874 3.924 50 0 EHAARO COCC[N@@H+](Cc1ccccc1-c1ccc(C)o1)C[C@@H]1CCCO1 ZINC000216523331 241197965 /nfs/dbraw/zinc/19/79/65/241197965.db2.gz YWMNXMIUZQOKJP-SFHVURJKSA-N 1 0 329.440 3.882 50 0 EHAARO CC(C)c1ccc(NC(=O)C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1 ZINC000022029712 212272435 /nfs/dbraw/zinc/27/24/35/212272435.db2.gz VESOLZMCSGPSLG-FQEVSTJZSA-N 1 0 339.483 3.641 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000022010259 212270325 /nfs/dbraw/zinc/27/03/25/212270325.db2.gz FDNQELKSTVNRLJ-VXGBXAGGSA-N 1 0 330.501 3.630 50 0 EHAARO Cc1ccc(C)c(NC(=O)NC[C@H]2C[N@@H+](C)C[C@@H]2c2cccs2)c1 ZINC000227150495 242121871 /nfs/dbraw/zinc/12/18/71/242121871.db2.gz HQXXJXUBJQJMPH-HOTGVXAUSA-N 1 0 343.496 3.832 50 0 EHAARO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000229963863 242220110 /nfs/dbraw/zinc/22/01/10/242220110.db2.gz SIWHKQFZCQBYBS-NHYWBVRUSA-N 1 0 342.270 3.941 50 0 EHAARO C[N@@H+]1C[C@H](CNC(=O)Nc2ccccc2Cl)[C@H](c2cccs2)C1 ZINC000230134461 242236862 /nfs/dbraw/zinc/23/68/62/242236862.db2.gz ZQBHOSGLZDBSEY-QWHCGFSZSA-N 1 0 349.887 3.868 50 0 EHAARO COc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170372 212214165 /nfs/dbraw/zinc/21/41/65/212214165.db2.gz NUQXOADNRIMCSS-KRWDZBQOSA-N 1 0 330.472 3.566 50 0 EHAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1cccc2c1CCCC2 ZINC000021175303 212214286 /nfs/dbraw/zinc/21/42/86/212214286.db2.gz ZJOIMZJTKXJFDA-INIZCTEOSA-N 1 0 341.499 3.951 50 0 EHAARO [NH3+]CC1CCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000238033151 242906691 /nfs/dbraw/zinc/90/66/91/242906691.db2.gz VGQHMSNWQMGHDH-DUXPYHPUSA-N 1 0 346.780 3.569 50 0 EHAARO COc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)ccc1C ZINC000242242289 243013599 /nfs/dbraw/zinc/01/35/99/243013599.db2.gz XTODWYOCPRMONP-UHFFFAOYSA-N 1 0 344.499 3.665 50 0 EHAARO COc1ccc(F)cc1-c1cccc(-c2ccn(CC[NH+](C)C)n2)c1 ZINC000020906975 212185468 /nfs/dbraw/zinc/18/54/68/212185468.db2.gz IJFLDAFGJWHOGO-UHFFFAOYSA-N 1 0 339.414 3.926 50 0 EHAARO C[N@@H+](Cc1ccc2c3c1cccc3C(=O)OC2)C[C@H]1CCCCO1 ZINC000244773728 243077412 /nfs/dbraw/zinc/07/74/12/243077412.db2.gz PFJHGMJHLSQUHO-MRXNPFEDSA-N 1 0 325.408 3.511 50 0 EHAARO Fc1ccc(F)c(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000020783653 212171773 /nfs/dbraw/zinc/17/17/73/212171773.db2.gz KBFBIOPKBPODKV-IBGZPJMESA-N 1 0 342.433 3.686 50 0 EHAARO Cc1cc(C)n([C@H](C)C[NH+]2CCC(Oc3ccccc3F)CC2)n1 ZINC000020537758 212145069 /nfs/dbraw/zinc/14/50/69/212145069.db2.gz KQTUOOTYJYGNSY-MRXNPFEDSA-N 1 0 331.435 3.743 50 0 EHAARO CC(C)Cc1ccc(CN2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000020271636 212115434 /nfs/dbraw/zinc/11/54/34/212115434.db2.gz NNELRUWPWKKZIM-NRFANRHFSA-N 1 0 330.516 3.618 50 0 EHAARO CCC(CC)[NH+]1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000019888732 212079563 /nfs/dbraw/zinc/07/95/63/212079563.db2.gz BXBRWFHXWZMSSV-UHFFFAOYSA-N 1 0 340.467 3.551 50 0 EHAARO COc1ccc(OC)c(CN2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000019842218 212075779 /nfs/dbraw/zinc/07/57/79/212075779.db2.gz VECYEWFWYAZMIJ-UHFFFAOYSA-N 1 0 332.488 3.544 50 0 EHAARO Cc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000049581328 214020271 /nfs/dbraw/zinc/02/02/71/214020271.db2.gz PPUJVWBPSGBIEB-ROUUACIJSA-N 1 0 340.467 3.572 50 0 EHAARO c1cc(C2CCCC2)sc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000019225600 212007430 /nfs/dbraw/zinc/00/74/30/212007430.db2.gz QLQUJIKZMHWSTQ-QGZVFWFLSA-N 1 0 334.529 3.702 50 0 EHAARO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000078710953 217106499 /nfs/dbraw/zinc/10/64/99/217106499.db2.gz HFPOVOGZZHZILD-RBUKOAKNSA-N 1 0 340.467 3.754 50 0 EHAARO O=C(CC[N@@H+]1CCO[C@H]2CCC[C@@H]21)Nc1c(Cl)cccc1Cl ZINC000079354309 217213412 /nfs/dbraw/zinc/21/34/12/217213412.db2.gz QBNJXXSBQIQISL-KBPBESRZSA-N 1 0 343.254 3.575 50 0 EHAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccc(Br)cc1)(C3)C2 ZINC000013728154 211623416 /nfs/dbraw/zinc/62/34/16/211623416.db2.gz VXVDFVYPRDAVHR-CBHXASLJSA-N 1 0 336.273 3.622 50 0 EHAARO CSCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012457541 211388643 /nfs/dbraw/zinc/38/86/43/211388643.db2.gz SLDGDGCSRGQPFI-IBGZPJMESA-N 1 0 348.556 3.719 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012443723 211384732 /nfs/dbraw/zinc/38/47/32/211384732.db2.gz MLXSETSLNLJVDP-IAILITGJSA-N 1 0 348.437 3.746 50 0 EHAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000089937353 217887977 /nfs/dbraw/zinc/88/79/77/217887977.db2.gz STHVDXLEQPUMKF-WQGACYEGSA-N 1 0 328.378 3.613 50 0 EHAARO Cc1c(C)n(C[C@H](O)C[NH2+]Cc2ccccc2)c2ccc(F)cc12 ZINC000012422007 211376611 /nfs/dbraw/zinc/37/66/11/211376611.db2.gz WPWUNFUMDOILHK-GOSISDBHSA-N 1 0 326.415 3.548 50 0 EHAARO CCCC[N@H+](C)Cc1cc2ccc(C)cc2n(Cc2ccccn2)c1=O ZINC000012244308 211330616 /nfs/dbraw/zinc/33/06/16/211330616.db2.gz AZRKVWLAFRPZJZ-UHFFFAOYSA-N 1 0 349.478 3.985 50 0 EHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1)NC1CC1 ZINC000012092846 211290148 /nfs/dbraw/zinc/29/01/48/211290148.db2.gz XFDUVTNYDSOTKB-LBPRGKRZSA-N 1 0 326.893 3.672 50 0 EHAARO CC[C@H]1C[N@H+](Cc2cccc3nccnc23)Cc2cc(OC)ccc2O1 ZINC000012049110 211282559 /nfs/dbraw/zinc/28/25/59/211282559.db2.gz NZUJGDKYJDYYPG-KRWDZBQOSA-N 1 0 349.434 3.812 50 0 EHAARO CC(C)Cc1ccc(C[NH+]2CCC3(CCC(=O)N(C)C3)CC2)cc1 ZINC000091694764 218048908 /nfs/dbraw/zinc/04/89/08/218048908.db2.gz IQTUZTYJKPEKLP-UHFFFAOYSA-N 1 0 328.500 3.720 50 0 EHAARO O=C(CCc1cccc(F)c1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011662868 211230496 /nfs/dbraw/zinc/23/04/96/211230496.db2.gz SQJQHHWZHHSWTR-HXUWFJFHSA-N 1 0 346.490 3.919 50 0 EHAARO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010360048 211167035 /nfs/dbraw/zinc/16/70/35/211167035.db2.gz ANSBRVJBCUJYNY-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO c1coc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)c1 ZINC000009910012 211133832 /nfs/dbraw/zinc/13/38/32/211133832.db2.gz QSCJHFWZYITNRK-UHFFFAOYSA-N 1 0 344.418 3.876 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000009917192 211132934 /nfs/dbraw/zinc/13/29/34/211132934.db2.gz QTPDNVDSXQYEOU-UHFFFAOYSA-N 1 0 337.250 3.985 50 0 EHAARO CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(OC)cc1 ZINC000095348766 218282799 /nfs/dbraw/zinc/28/27/99/218282799.db2.gz KOLHYVQFWFAXGS-GOSISDBHSA-N 1 0 340.402 3.656 50 0 EHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N(Cc1ccsc1)Cc1cccnc1 ZINC000095356221 218289199 /nfs/dbraw/zinc/28/91/99/218289199.db2.gz GUTSYZWXZMHQSF-GOSISDBHSA-N 1 0 343.496 3.546 50 0 EHAARO CC[NH+]1CCC(CC(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000095373321 218306836 /nfs/dbraw/zinc/30/68/36/218306836.db2.gz ARMFLQJBYBAQMD-FQEVSTJZSA-N 1 0 326.440 3.607 50 0 EHAARO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1C ZINC000008862583 211012412 /nfs/dbraw/zinc/01/24/12/211012412.db2.gz FIWMFYSVJBEHMF-SFHVURJKSA-N 1 0 328.481 3.932 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc(F)cc1Cl ZINC000095419760 218359728 /nfs/dbraw/zinc/35/97/28/218359728.db2.gz AZSPKAFOKPMQSB-ZDUSSCGKSA-N 1 0 344.821 3.970 50 0 EHAARO c1c(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)nc2n1CCCC2 ZINC000095420217 218360671 /nfs/dbraw/zinc/36/06/71/218360671.db2.gz QDFMBRHLUUJGAC-SFHVURJKSA-N 1 0 337.467 3.798 50 0 EHAARO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc2ccccc2n1 ZINC000095422223 218363966 /nfs/dbraw/zinc/36/39/66/218363966.db2.gz KLFZYGPTEBLUNK-IERDGZPVSA-N 1 0 347.462 3.585 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2nccn2CC(C)C)c(C)c1 ZINC000095423179 218365967 /nfs/dbraw/zinc/36/59/67/218365967.db2.gz FPGZZVBZMQHZML-KRWDZBQOSA-N 1 0 342.487 3.663 50 0 EHAARO COc1ccc(CNc2ccccc2C[NH+]2CCSCC2)cc1O ZINC000095428863 218370671 /nfs/dbraw/zinc/37/06/71/218370671.db2.gz VFSYCPNNXWNOTJ-UHFFFAOYSA-N 1 0 344.480 3.562 50 0 EHAARO c1csc(-c2nnc(CN3CCC(Nc4ccccc4)CC3)o2)c1 ZINC000095431819 218373741 /nfs/dbraw/zinc/37/37/41/218373741.db2.gz KVYQAQPHUXLFRR-UHFFFAOYSA-N 1 0 340.452 3.875 50 0 EHAARO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1 ZINC000005115228 210390966 /nfs/dbraw/zinc/39/09/66/210390966.db2.gz JNUZMURKBMOXSG-UHFFFAOYSA-N 1 0 349.456 3.705 50 0 EHAARO CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccccc1 ZINC000005019690 210363422 /nfs/dbraw/zinc/36/34/22/210363422.db2.gz RJFTYWSTYDUSLZ-LJQANCHMSA-N 1 0 341.451 3.933 50 0 EHAARO Cc1n[nH]c(CN2CCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1Cl ZINC000097294760 219009903 /nfs/dbraw/zinc/00/99/03/219009903.db2.gz UJPLQEAUXNJNCA-KRWDZBQOSA-N 1 0 332.879 3.770 50 0 EHAARO C[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000004834198 210292548 /nfs/dbraw/zinc/29/25/48/210292548.db2.gz RLVBTSREZWKFDM-CQSZACIVSA-N 1 0 332.271 3.998 50 0 EHAARO CCC(CC)c1cc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCCC3)C2)on1 ZINC000328591322 258044172 /nfs/dbraw/zinc/04/41/72/258044172.db2.gz AELJPTRWCFTUQZ-HZPDHXFCSA-N 1 0 333.476 3.715 50 0 EHAARO c1ccc(CCc2nnc3n2CC[N@@H+](CC2CCCCC2)CC3)cc1 ZINC000299771976 258084023 /nfs/dbraw/zinc/08/40/23/258084023.db2.gz YOUNISUDHGIYFT-UHFFFAOYSA-N 1 0 338.499 3.502 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(-c3ccco3)cc2)C1 ZINC000299790845 258096844 /nfs/dbraw/zinc/09/68/44/258096844.db2.gz BTPLQSBXZJEPQR-QGZVFWFLSA-N 1 0 327.428 3.895 50 0 EHAARO CCn1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cn1 ZINC000299792713 258098107 /nfs/dbraw/zinc/09/81/07/258098107.db2.gz GCIPLYMFAFHLEI-KSZLIROESA-N 1 0 349.438 3.646 50 0 EHAARO C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000129296590 533600041 /nfs/dbraw/zinc/60/00/41/533600041.db2.gz RVEUVKUYIXDYIB-RYUDHWBXSA-N 1 0 344.286 3.648 50 0 EHAARO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000170048434 226600439 /nfs/dbraw/zinc/60/04/39/226600439.db2.gz PBYTXVZQHWVBSU-XHDPSFHLSA-N 1 0 341.282 3.659 50 0 EHAARO COCc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)ccc1F ZINC000095422704 522924994 /nfs/dbraw/zinc/92/49/94/522924994.db2.gz MAKAGAWUCAFKLZ-HNNXBMFYSA-N 1 0 344.430 3.787 50 0 EHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000237411356 563992137 /nfs/dbraw/zinc/99/21/37/563992137.db2.gz CUEVRMZPALJCFS-AAEUAGOBSA-N 1 0 329.271 3.512 50 0 EHAARO O[C@H](C[NH2+]CCc1ccccc1)Cn1c2ccccc2c2ccccc21 ZINC000002057087 563420152 /nfs/dbraw/zinc/42/01/52/563420152.db2.gz ULYPFEFNGKFKSF-LJQANCHMSA-N 1 0 344.458 3.988 50 0 EHAARO COc1ccc(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005525652 563536879 /nfs/dbraw/zinc/53/68/79/563536879.db2.gz BJLIVVSDLXNEDM-QZTJIDSGSA-N 1 0 329.827 3.877 50 0 EHAARO C[NH+]1CCC(NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1 ZINC000006007760 563557002 /nfs/dbraw/zinc/55/70/02/563557002.db2.gz DWDVPTQFMDYVRM-AWEZNQCLSA-N 1 0 334.529 3.723 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1C ZINC000006420774 563568137 /nfs/dbraw/zinc/56/81/37/563568137.db2.gz MUHCYJOKPSUXSL-UHFFFAOYSA-N 1 0 335.407 3.712 50 0 EHAARO CCCCOc1cccc(OCC[NH+]2CCC(C(=O)OCC)CC2)c1 ZINC000006701566 563579707 /nfs/dbraw/zinc/57/97/07/563579707.db2.gz CIRKGODNPWWRCS-UHFFFAOYSA-N 1 0 349.471 3.519 50 0 EHAARO Cc1cccc(-c2cc(C(=O)NCCC[NH+](C)C)c3ccccc3n2)c1 ZINC000002748671 563611721 /nfs/dbraw/zinc/61/17/21/563611721.db2.gz KUGNTWCCYYMQPS-UHFFFAOYSA-N 1 0 347.462 3.892 50 0 EHAARO Cc1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1 ZINC000013786840 563723230 /nfs/dbraw/zinc/72/32/30/563723230.db2.gz JOCGJERZLFHJNE-UHFFFAOYSA-N 1 0 335.402 3.719 50 0 EHAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)no1 ZINC000014139627 563744893 /nfs/dbraw/zinc/74/48/93/563744893.db2.gz KJVBPRRLSGOQOY-BDJLRTHQSA-N 1 0 333.819 3.704 50 0 EHAARO OC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000015065188 563775168 /nfs/dbraw/zinc/77/51/68/563775168.db2.gz CXHUYXOFHYSHJL-QGZVFWFLSA-N 1 0 347.462 3.948 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCCOc2ccc(Cl)cc2)CC1 ZINC000016489524 563813347 /nfs/dbraw/zinc/81/33/47/563813347.db2.gz MSPRWMSPQYRASP-UHFFFAOYSA-N 1 0 339.863 3.774 50 0 EHAARO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000016694826 563821106 /nfs/dbraw/zinc/82/11/06/563821106.db2.gz IRFGDSBZVSCWLP-MRXNPFEDSA-N 1 0 334.419 3.914 50 0 EHAARO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCc2sccc2C1 ZINC000022549933 563863450 /nfs/dbraw/zinc/86/34/50/563863450.db2.gz SUVWMZQQNHJZBA-HKUYNNGSSA-N 1 0 343.492 3.561 50 0 EHAARO COc1ccccc1C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000022742467 563864054 /nfs/dbraw/zinc/86/40/54/563864054.db2.gz VACPBPZJSJVMNK-UHFFFAOYSA-N 1 0 341.842 3.883 50 0 EHAARO Fc1ccc(N2CCN([C@H]3CCC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000022914572 563865342 /nfs/dbraw/zinc/86/53/42/563865342.db2.gz BOFDCVVTLUVPAE-NRFANRHFSA-N 1 0 345.506 3.745 50 0 EHAARO Cc1cc(NC(=O)[C@H]([NH2+]C2CCC(C)CC2)c2ccccc2)no1 ZINC000028622045 563903547 /nfs/dbraw/zinc/90/35/47/563903547.db2.gz BGOZIKOXUGGHFT-PVCYVWKFSA-N 1 0 327.428 3.831 50 0 EHAARO O=C(/C=C/c1ccccc1)NCCCC[N@@H+]1CCc2ccccc2C1 ZINC000028870000 563904287 /nfs/dbraw/zinc/90/42/87/563904287.db2.gz GQPJBOOQHWEOKT-OUKQBFOZSA-N 1 0 334.463 3.655 50 0 world EHAARO CCN(C(=O)C[N@H+](CC)[C@H](Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000072304911 563914453 /nfs/dbraw/zinc/91/44/53/563914453.db2.gz STBVSWIFTOAGTA-HXUWFJFHSA-N 1 0 328.500 3.649 50 0 EHAARO CCCCc1nc(C)c(C(=O)NCC2CC[NH+](CCC)CC2)s1 ZINC000058159290 563938313 /nfs/dbraw/zinc/93/83/13/563938313.db2.gz KPGFJHYICFCDAZ-UHFFFAOYSA-N 1 0 337.533 3.646 50 0 EHAARO CC1CC[NH+](Cc2ccccc2CNC(=O)OCC(F)(F)F)CC1 ZINC000058183421 563939280 /nfs/dbraw/zinc/93/92/80/563939280.db2.gz FMDUJIMNAGSLRI-UHFFFAOYSA-N 1 0 344.377 3.707 50 0 EHAARO CCOc1ccccc1-c1nnc(SC[C@H]2CCC[N@H+](C)C2)o1 ZINC000058425659 563946027 /nfs/dbraw/zinc/94/60/27/563946027.db2.gz BFJMFOMDOMYJSC-ZDUSSCGKSA-N 1 0 333.457 3.569 50 0 EHAARO CN(C(=O)CCC1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000058426021 563946047 /nfs/dbraw/zinc/94/60/47/563946047.db2.gz QOKRHOKGXFTVQT-UHFFFAOYSA-N 1 0 343.515 3.517 50 0 EHAARO CC[NH+](CC)Cc1ccccc1NCC(=O)N1CCc2ccccc21 ZINC000059803470 563949325 /nfs/dbraw/zinc/94/93/25/563949325.db2.gz FWBVBGLKAOIYPQ-UHFFFAOYSA-N 1 0 337.467 3.530 50 0 EHAARO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1 ZINC000096478524 563955148 /nfs/dbraw/zinc/95/51/48/563955148.db2.gz VAMJGZVKODYWBY-RRFJBIMHSA-N 1 0 329.488 3.758 50 0 EHAARO c1nc2ccccc2n1-c1ccc(N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000063883002 563956520 /nfs/dbraw/zinc/95/65/20/563956520.db2.gz DAICQRGWDQQJCU-UHFFFAOYSA-N 1 0 346.478 3.994 50 0 EHAARO FC(F)(F)c1cccc(C[C@H]2CN(Cc3ccncc3)CCO2)c1 ZINC000065405810 563960118 /nfs/dbraw/zinc/96/01/18/563960118.db2.gz BEQFOGJUESVQGW-KRWDZBQOSA-N 1 0 336.357 3.544 50 0 EHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1scnc1-c1ccccc1 ZINC000065433578 563960884 /nfs/dbraw/zinc/96/08/84/563960884.db2.gz ROBHAPRGFOOGLI-INIZCTEOSA-N 1 0 343.496 3.691 50 0 EHAARO c1ccc2nc(C[NH+]3CCC(Cc4noc(C5CC5)n4)CC3)ccc2c1 ZINC000065488749 563961493 /nfs/dbraw/zinc/96/14/93/563961493.db2.gz IPIBCTGASKQFPQ-UHFFFAOYSA-N 1 0 348.450 3.950 50 0 EHAARO CCCCc1c(-c2ccccc2)ncn1CC[N@@H+]1CCC[C@@H](CO)C1 ZINC000065509007 563961795 /nfs/dbraw/zinc/96/17/95/563961795.db2.gz MQYNNNBPNFZQDJ-GOSISDBHSA-N 1 0 341.499 3.597 50 0 EHAARO FC(F)(F)c1ccn([C@@H]2CCC[N@H+](CCCc3ccncc3)C2)n1 ZINC000360609576 563963390 /nfs/dbraw/zinc/96/33/90/563963390.db2.gz DTPZKMKVOFJXBA-OAHLLOKOSA-N 1 0 338.377 3.567 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000043722713 563963649 /nfs/dbraw/zinc/96/36/49/563963649.db2.gz DIIQIOUPVIEQBD-ZOBUZTSGSA-N 1 0 335.492 3.706 50 0 EHAARO COc1ccccc1NC(=O)N1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071416167 563964364 /nfs/dbraw/zinc/96/43/64/563964364.db2.gz ZPYMVARCELTKTJ-GOSISDBHSA-N 1 0 345.487 3.669 50 0 EHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071589593 563964632 /nfs/dbraw/zinc/96/46/32/563964632.db2.gz RAHKHPBSLRWZOF-HNNXBMFYSA-N 1 0 333.426 3.852 50 0 EHAARO COc1ccc(C(O)(c2ccc(OC)cc2)[C@H]([NH3+])c2ccccc2)cc1 ZINC000071769239 563965553 /nfs/dbraw/zinc/96/55/53/563965553.db2.gz FMXHUQVRXDIDLF-OAQYLSRUSA-N 1 0 349.430 3.640 50 0 EHAARO CC(C)(C)OC(=O)N1CCCCC[C@@H]2[NH2+]C[C@@H](c3ccccc3)[C@@H]21 ZINC000077010518 563968556 /nfs/dbraw/zinc/96/85/56/563968556.db2.gz DXJJSIDGMCWRNC-BZSNNMDCSA-N 1 0 330.472 3.922 50 0 EHAARO CCCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)o1 ZINC000077302479 563968882 /nfs/dbraw/zinc/96/88/82/563968882.db2.gz MZKVXLHTGHQQOJ-FQEVSTJZSA-N 1 0 330.472 3.599 50 0 EHAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1-n1cccn1 ZINC000077323232 563968966 /nfs/dbraw/zinc/96/89/66/563968966.db2.gz UKIQOHQHEZDLAD-SFHVURJKSA-N 1 0 331.435 3.793 50 0 EHAARO Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077354079 563969121 /nfs/dbraw/zinc/96/91/21/563969121.db2.gz JZRZYQUAUXHDCQ-QGZVFWFLSA-N 1 0 343.496 3.881 50 0 EHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=S)Nc1ccccc1 ZINC000000052683 563970709 /nfs/dbraw/zinc/97/07/09/563970709.db2.gz ZFZIIGPUWLXOFS-IEBWSBKVSA-N 1 0 337.492 4.000 50 0 biogenic EHAARO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cccc(Br)n1 ZINC000585134645 563971847 /nfs/dbraw/zinc/97/18/47/563971847.db2.gz DISLHERCYFVCFQ-UKRRQHHQSA-N 1 0 349.272 3.661 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000008553362 563974086 /nfs/dbraw/zinc/97/40/86/563974086.db2.gz GEVHASPEKHFKMQ-HIFRSBDPSA-N 1 0 343.389 3.912 50 0 EHAARO COCC[C@]1(CO)CCC[N@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000091327184 563975326 /nfs/dbraw/zinc/97/53/26/563975326.db2.gz MPGPSMMVNVDAAS-OAQYLSRUSA-N 1 0 347.499 3.619 50 0 EHAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000095531318 563977563 /nfs/dbraw/zinc/97/75/63/563977563.db2.gz BTWFSAJDZWCOOU-IBGZPJMESA-N 1 0 338.495 3.857 50 0 EHAARO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)sc1-c1cccc(Cl)c1 ZINC000178519821 563983877 /nfs/dbraw/zinc/98/38/77/563983877.db2.gz WDHONMSTHLCAQM-LBPRGKRZSA-N 1 0 334.872 3.798 50 0 EHAARO O=C(CC[NH+]1CCCCC1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000000269567 563989955 /nfs/dbraw/zinc/98/99/55/563989955.db2.gz VVKWWKVILPKLNU-UHFFFAOYSA-N 1 0 332.778 3.669 50 0 EHAARO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000000317175 563991050 /nfs/dbraw/zinc/99/10/50/563991050.db2.gz AVLVRCOPRKBXPU-QGZVFWFLSA-N 1 0 344.499 3.556 50 0 EHAARO CCn1c(C)cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCCCC2)c1=O ZINC000024022866 563991395 /nfs/dbraw/zinc/99/13/95/563991395.db2.gz VAGZEQLXTLLQAW-IBGZPJMESA-N 1 0 344.430 3.597 50 0 EHAARO CC(C)(C)Oc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1 ZINC000156057632 564008703 /nfs/dbraw/zinc/00/87/03/564008703.db2.gz FFJHYYFHQOSKHC-UHFFFAOYSA-N 1 0 343.471 3.732 50 0 EHAARO O=C(NC1CC[NH+](Cc2cccc3cccnc32)CC1)c1ccccc1 ZINC000014708472 564013092 /nfs/dbraw/zinc/01/30/92/564013092.db2.gz WQEHHECOENAGEZ-UHFFFAOYSA-N 1 0 345.446 3.629 50 0 EHAARO O[C@H](C[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000106632771 564026564 /nfs/dbraw/zinc/02/65/64/564026564.db2.gz FMZGXERDRMQOEO-FUHWJXTLSA-N 1 0 333.378 3.811 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccccn1 ZINC000106633125 564026570 /nfs/dbraw/zinc/02/65/70/564026570.db2.gz UYNICMVNRLBHPN-CTNGQTDRSA-N 1 0 349.478 3.657 50 0 EHAARO C[C@@H](Cc1nnc(SCC[N@@H+]2CC[C@@H](C)C2)o1)c1ccccc1 ZINC000107075228 564026801 /nfs/dbraw/zinc/02/68/01/564026801.db2.gz NJPBDOVIJOJABW-CABCVRRESA-N 1 0 331.485 3.850 50 0 EHAARO Cc1nc2ccccc2n(CCC[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c1=O ZINC000108395065 564028260 /nfs/dbraw/zinc/02/82/60/564028260.db2.gz UDYFDXMQQUYTQI-BFYDXBDKSA-N 1 0 327.472 3.509 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(C)nc2)cc1OCc1cccnc1 ZINC000047825879 564029692 /nfs/dbraw/zinc/02/96/92/564029692.db2.gz IZFPPWCSDHYKDQ-UHFFFAOYSA-N 1 0 349.434 3.662 50 0 EHAARO Cc1oc(-c2ccccc2)nc1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000048261122 564030302 /nfs/dbraw/zinc/03/03/02/564030302.db2.gz LFSWGJDVPQMKPD-KRWDZBQOSA-N 1 0 325.412 3.636 50 0 EHAARO Cc1c(C(=O)NC2CC[NH+](C3CC3)CC2)sc2nc(C)cc(C)c12 ZINC000048253881 564030477 /nfs/dbraw/zinc/03/04/77/564030477.db2.gz IIFXBMGFOVPNHH-UHFFFAOYSA-N 1 0 343.496 3.578 50 0 EHAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008062842 564034649 /nfs/dbraw/zinc/03/46/49/564034649.db2.gz VGWZCWNQVGAXNE-UHFFFAOYSA-N 1 0 337.250 3.985 50 0 EHAARO COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OCc1ccccc1 ZINC000000810264 564034787 /nfs/dbraw/zinc/03/47/87/564034787.db2.gz WKBSWIILZSNFDE-GOSISDBHSA-N 1 0 327.424 3.543 50 0 EHAARO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(Cl)cc1 ZINC000221718398 564036373 /nfs/dbraw/zinc/03/63/73/564036373.db2.gz JVHXYBBXHNRBJZ-JLZZUVOBSA-N 1 0 326.831 3.870 50 0 EHAARO CC[C@@H](Cn1ccnc1)NC(=O)C1c2ccccc2-c2ccccc21 ZINC000223751930 564040772 /nfs/dbraw/zinc/04/07/72/564040772.db2.gz YYSUFDHMORHXIW-HNNXBMFYSA-N 1 0 331.419 3.590 50 0 EHAARO COc1cc2c(cc1C[N@@H+]1CCN(C)[C@H](c3ccccc3)C1)CCC2 ZINC000225337727 564046073 /nfs/dbraw/zinc/04/60/73/564046073.db2.gz FAWVUDNETSKOPX-NRFANRHFSA-N 1 0 336.479 3.673 50 0 EHAARO COc1ccc(C)cc1NC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000225389531 564046349 /nfs/dbraw/zinc/04/63/49/564046349.db2.gz PZPWCQDNRRDEFT-DNVCBOLYSA-N 1 0 341.455 3.817 50 0 EHAARO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000240551707 564051784 /nfs/dbraw/zinc/05/17/84/564051784.db2.gz GVMGBYIZLTYKPN-XLIONFOSSA-N 1 0 340.467 3.644 50 0 EHAARO Cc1cccc(CC(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000252489042 564053395 /nfs/dbraw/zinc/05/33/95/564053395.db2.gz JDXWGHZXQZULTH-HXUWFJFHSA-N 1 0 336.479 3.566 50 0 EHAARO CCOc1cc(F)ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000183283016 564056907 /nfs/dbraw/zinc/05/69/07/564056907.db2.gz XSRYIFVWPQZWKL-UHFFFAOYSA-N 1 0 329.419 3.696 50 0 EHAARO CC(C)[N@H+](C)CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000063465436 564057620 /nfs/dbraw/zinc/05/76/20/564057620.db2.gz BDRXOGSBEIOVHX-UHFFFAOYSA-N 1 0 343.496 3.968 50 0 EHAARO Cc1cccn2cc(CSc3nnc(Cc4ccccc4)n3C)nc12 ZINC000044177007 564059676 /nfs/dbraw/zinc/05/96/76/564059676.db2.gz FGOWHMGGIVWXEW-UHFFFAOYSA-N 1 0 349.463 3.654 50 0 EHAARO CSc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000299763944 564060753 /nfs/dbraw/zinc/06/07/53/564060753.db2.gz HPWNJZBKZVFPEY-MRXNPFEDSA-N 1 0 333.501 3.891 50 0 EHAARO Cc1cnc(C)c(NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000534672446 564061595 /nfs/dbraw/zinc/06/15/95/564061595.db2.gz PBFQLODUEBVFEI-QGZVFWFLSA-N 1 0 330.863 3.996 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000012697562 564063386 /nfs/dbraw/zinc/06/33/86/564063386.db2.gz WAUVNKJYZMPVJR-CHWSQXEVSA-N 1 0 332.271 3.998 50 0 EHAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc3cc(F)ccc3o2)cn1 ZINC000083843491 564063707 /nfs/dbraw/zinc/06/37/07/564063707.db2.gz YRUBQYLGPLCTQN-BFUOFWGJSA-N 1 0 343.402 3.656 50 0 EHAARO O=C([C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1)N1CCCCC1 ZINC000084519359 564068404 /nfs/dbraw/zinc/06/84/04/564068404.db2.gz YULCXUABPQKFET-VXKWHMMOSA-N 1 0 348.490 3.887 50 0 EHAARO CC(C)C[N@H+](Cc1cc2c(cc1Br)OCCO2)C1CC1 ZINC000084544221 564068640 /nfs/dbraw/zinc/06/86/40/564068640.db2.gz JXMOZWAVORMGBA-UHFFFAOYSA-N 1 0 340.261 3.841 50 0 EHAARO CC(C)Cc1ccc(CC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000084575175 564068766 /nfs/dbraw/zinc/06/87/66/564068766.db2.gz JKRZUAYCDLUHKH-HXUWFJFHSA-N 1 0 330.516 3.522 50 0 EHAARO CCS[C@H]1CC[C@@]1(O)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000084811870 564070379 /nfs/dbraw/zinc/07/03/79/564070379.db2.gz PHMDZWVVBPCUJP-DZGCQCFKSA-N 1 0 340.539 3.608 50 0 EHAARO Cc1cc(NC(=O)Cc2cn3ccccc3n2)ccc1Br ZINC000012814068 564073065 /nfs/dbraw/zinc/07/30/65/564073065.db2.gz LKCVTHJPIMXVFC-UHFFFAOYSA-N 1 0 344.212 3.586 50 0 EHAARO Cc1ccc(NC(=O)N2CCCSC[C@@H]2C[NH+]2CCCC2)cc1C ZINC000085473235 564073507 /nfs/dbraw/zinc/07/35/07/564073507.db2.gz BFPSADLSXDPLDX-SFHVURJKSA-N 1 0 347.528 3.739 50 0 EHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 ZINC000015862259 564076992 /nfs/dbraw/zinc/07/69/92/564076992.db2.gz NAZZOHQQZACNPO-UHFFFAOYSA-N 1 0 336.435 3.786 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccoc1)c1csc2ccccc21 ZINC000575620222 564083863 /nfs/dbraw/zinc/08/38/63/564083863.db2.gz JCVXUEFCZXDFLZ-OZSKJFCKSA-N 1 0 340.448 3.927 50 0 EHAARO CCCCC[NH+](CCCCC)C[C@@H](C)NC(=O)c1cnn(CC)c1 ZINC000006398446 564085534 /nfs/dbraw/zinc/08/55/34/564085534.db2.gz PLHWMIMXHHHQSQ-QGZVFWFLSA-N 1 0 336.524 3.704 50 0 EHAARO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000090801731 564086571 /nfs/dbraw/zinc/08/65/71/564086571.db2.gz UKYRPYRAXXZEAT-QFBILLFUSA-N 1 0 347.466 3.505 50 0 EHAARO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000241126106 564088288 /nfs/dbraw/zinc/08/82/88/564088288.db2.gz JJOBIIVVFDDVKW-YOEHRIQHSA-N 1 0 344.480 3.599 50 0 EHAARO c1n[nH]cc1[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000092809978 564089050 /nfs/dbraw/zinc/08/90/50/564089050.db2.gz VWLHBHGJOILVRJ-SFHVURJKSA-N 1 0 348.450 3.763 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c(C)n1 ZINC000089510113 564091103 /nfs/dbraw/zinc/09/11/03/564091103.db2.gz SPOMWLMZUJIAHQ-LLVKDONJSA-N 1 0 347.846 3.759 50 0 EHAARO NC(=O)c1cnc(-c2ccc(C3([NH3+])CCC3)cc2)c(-c2ccccc2)c1 ZINC000084705544 564091386 /nfs/dbraw/zinc/09/13/86/564091386.db2.gz GIRZDHCBMNHMEH-UHFFFAOYSA-N 1 0 343.430 3.852 50 0 EHAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000006548464 564091865 /nfs/dbraw/zinc/09/18/65/564091865.db2.gz JROHMIXUKIDNSI-UHFFFAOYSA-N 1 0 336.357 3.697 50 0 EHAARO Cc1ccn2c(=O)cc(C[N@@H+](Cc3ccccc3)CC(C)C)nc2c1 ZINC000064590822 564092623 /nfs/dbraw/zinc/09/26/23/564092623.db2.gz UPMHXMJDLCVPFD-UHFFFAOYSA-N 1 0 335.451 3.661 50 0 EHAARO C[C@H](NC(=O)CN(C)CCOc1ccccc1)c1cccc(Cl)c1 ZINC000016695710 564092997 /nfs/dbraw/zinc/09/29/97/564092997.db2.gz MMBPTKJYOJFYOU-HNNXBMFYSA-N 1 0 346.858 3.528 50 0 EHAARO Cc1ccc(F)cc1-c1ccc(C(=O)N(C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000426527964 564094001 /nfs/dbraw/zinc/09/40/01/564094001.db2.gz PKILOBWJEPNBNY-INIZCTEOSA-N 1 0 340.442 3.873 50 0 EHAARO CCc1oc(C(=O)N[C@@H](C)Cc2ccsc2)cc1C[NH+]1CCCC1 ZINC000426597348 564094190 /nfs/dbraw/zinc/09/41/90/564094190.db2.gz DDZPKGAZQLBFHB-AWEZNQCLSA-N 1 0 346.496 3.860 50 0 EHAARO CC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccccc1 ZINC000169677946 564098163 /nfs/dbraw/zinc/09/81/63/564098163.db2.gz TVOIJOLZYLXWOQ-IEBWSBKVSA-N 1 0 343.467 3.736 50 0 EHAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000155629464 564098590 /nfs/dbraw/zinc/09/85/90/564098590.db2.gz OQSKUFRKIJOMHG-LBPRGKRZSA-N 1 0 349.887 3.752 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCC[N@H+](C)C3CCCCC3)cc2o1 ZINC000064968390 564098721 /nfs/dbraw/zinc/09/87/21/564098721.db2.gz OXOWLKFRWPJCIW-UHFFFAOYSA-N 1 0 343.471 3.946 50 0 EHAARO COc1cccc(C(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccc(Cl)cc2)c1 ZINC000036386778 564100137 /nfs/dbraw/zinc/10/01/37/564100137.db2.gz HVRINZSEISPUSB-ROUUACIJSA-N 1 0 329.827 3.877 50 0 EHAARO CCc1ccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000006877142 564100331 /nfs/dbraw/zinc/10/03/31/564100331.db2.gz KANRJJUZOJJMED-UHFFFAOYSA-N 1 0 329.488 3.979 50 0 EHAARO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2)c1 ZINC000037213021 564108761 /nfs/dbraw/zinc/10/87/61/564108761.db2.gz JZNZJIQZFSDLPJ-OXQOHEQNSA-N 1 0 338.451 3.710 50 0 EHAARO c1ccc2nc(C[N@@H+]3CCC[C@H](c4noc(C5CC5)n4)C3)ccc2c1 ZINC000089873150 564114571 /nfs/dbraw/zinc/11/45/71/564114571.db2.gz PZGHKTPNBINQBZ-INIZCTEOSA-N 1 0 334.423 3.875 50 0 EHAARO COC(=O)c1ccc([C@@H](C)[N@H+](C)CCOc2ccc(Cl)cc2)o1 ZINC000089905011 564115056 /nfs/dbraw/zinc/11/50/56/564115056.db2.gz OKAYXLBMATWTGZ-GFCCVEGCSA-N 1 0 337.803 3.791 50 0 EHAARO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000076089861 564115640 /nfs/dbraw/zinc/11/56/40/564115640.db2.gz OPNIRPSCAOHBSL-SFTDATJTSA-N 1 0 338.451 3.733 50 0 EHAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cn3cccc(C)c3n2)cc1 ZINC000090044930 564116178 /nfs/dbraw/zinc/11/61/78/564116178.db2.gz AERIIEOVUOPCQS-INIZCTEOSA-N 1 0 345.450 3.988 50 0 EHAARO Fc1ccc(N2CC[NH+](CC[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000003812549 564119163 /nfs/dbraw/zinc/11/91/63/564119163.db2.gz UKOCGOXTVCIACM-OAQYLSRUSA-N 1 0 340.442 3.652 50 0 in-vitro EHAARO C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000252490723 564119469 /nfs/dbraw/zinc/11/94/69/564119469.db2.gz KZQPGAWBYCKPMV-ZIAGYGMSSA-N 1 0 348.491 3.821 50 0 EHAARO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c2cc1C ZINC000252514487 564120256 /nfs/dbraw/zinc/12/02/56/564120256.db2.gz CPQHCQLMUCIOGS-CDHQVMDDSA-N 1 0 341.451 3.655 50 0 EHAARO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000170650285 564120334 /nfs/dbraw/zinc/12/03/34/564120334.db2.gz QIMIVHJFEUPXIA-KURKYZTESA-N 1 0 343.515 3.760 50 0 EHAARO CC[NH2+]CCNC(=O)c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000170676814 564121347 /nfs/dbraw/zinc/12/13/47/564121347.db2.gz NJWOIANVBZKOIC-UHFFFAOYSA-N 1 0 336.794 3.611 50 0 EHAARO COC(C)(C)c1csc([C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000253392566 564130441 /nfs/dbraw/zinc/13/04/41/564130441.db2.gz NBUOSSWCUYZHMC-HNNXBMFYSA-N 1 0 332.469 3.598 50 0 EHAARO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000253397403 564130544 /nfs/dbraw/zinc/13/05/44/564130544.db2.gz XBXOBYOAKIALQH-CVEARBPZSA-N 1 0 327.476 3.553 50 0 EHAARO C[N@H+](CCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499789 564132755 /nfs/dbraw/zinc/13/27/55/564132755.db2.gz NINCEUANGIAEBE-YGZDAZCWSA-N 1 0 349.559 3.683 50 0 biogenic EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)c(F)c1 ZINC000007946687 564135481 /nfs/dbraw/zinc/13/54/81/564135481.db2.gz AUQCTHPXYOXYCL-UHFFFAOYSA-N 1 0 328.431 3.906 50 0 EHAARO CS[C@@H]1CC[C@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000078966734 564137478 /nfs/dbraw/zinc/13/74/78/564137478.db2.gz GYJNVQBBOJWAGX-UONOGXRCSA-N 1 0 346.496 3.851 50 0 EHAARO Cc1nc(CN2CCC(C[NH2+][C@@H](C)Cc3ccsc3)CC2)cs1 ZINC000095422295 564140039 /nfs/dbraw/zinc/14/00/39/564140039.db2.gz FXDRWVMUBNFXGZ-AWEZNQCLSA-N 1 0 349.569 3.946 50 0 EHAARO Cc1nc(CN2CCC(C[NH2+][C@H](C)Cc3ccsc3)CC2)cs1 ZINC000095422296 564140064 /nfs/dbraw/zinc/14/00/64/564140064.db2.gz FXDRWVMUBNFXGZ-CQSZACIVSA-N 1 0 349.569 3.946 50 0 EHAARO Cc1ccccc1[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)C1CC1 ZINC000095462808 564140873 /nfs/dbraw/zinc/14/08/73/564140873.db2.gz FFEJNZDWAMYHKT-JXFKEZNVSA-N 1 0 343.492 3.898 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)C1(N2CCOCC2)CCCC1)c1c(F)cccc1F ZINC000095941419 564142058 /nfs/dbraw/zinc/14/20/58/564142058.db2.gz LXYVSSNOEAEFRV-CABCVRRESA-N 1 0 338.442 3.649 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNc1nc(-c2ccncc2)nc2ccccc21 ZINC000095947365 564142269 /nfs/dbraw/zinc/14/22/69/564142269.db2.gz QDVRWRAQVADAHX-MRXNPFEDSA-N 1 0 333.439 3.588 50 0 EHAARO COc1cccc([C@H](CO)[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000095975164 564143547 /nfs/dbraw/zinc/14/35/47/564143547.db2.gz OUMMUOOCZQXSBA-INIZCTEOSA-N 1 0 343.320 3.676 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)CNc1c(C)cccc1C)c1ccco1 ZINC000096970127 564149070 /nfs/dbraw/zinc/14/90/70/564149070.db2.gz UOTFIGXXOZPBGP-KRWDZBQOSA-N 1 0 343.471 3.508 50 0 EHAARO Fc1ccc([C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)cc1 ZINC000097021379 564149137 /nfs/dbraw/zinc/14/91/37/564149137.db2.gz SQDVGCZMAIJVAC-AQNXPRMDSA-N 1 0 325.431 3.527 50 0 EHAARO COc1ncccc1C[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000097159811 564149441 /nfs/dbraw/zinc/14/94/41/564149441.db2.gz REIWHGVLEUCKHB-UHFFFAOYSA-N 1 0 334.379 3.516 50 0 EHAARO Cn1cccc1[C@H]1CCC[N@@H+]1[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057369651 564153778 /nfs/dbraw/zinc/15/37/78/564153778.db2.gz AYWSYBGARSBCCX-UXHICEINSA-N 1 0 337.467 3.526 50 0 EHAARO Cc1cccn2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)nc12 ZINC000002960803 564153841 /nfs/dbraw/zinc/15/38/41/564153841.db2.gz WDKQXAIWQZHPGR-UHFFFAOYSA-N 1 0 333.313 3.592 50 0 EHAARO COc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)cc1 ZINC000003058389 564154798 /nfs/dbraw/zinc/15/47/98/564154798.db2.gz UMXCXNBMSWPWKV-UHFFFAOYSA-N 1 0 347.528 3.731 50 0 EHAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(OC)c2)CC1 ZINC000003060171 564154824 /nfs/dbraw/zinc/15/48/24/564154824.db2.gz BCSDSNZEZWYDSX-AWEZNQCLSA-N 1 0 335.517 3.587 50 0 EHAARO C[NH+]1CCC(c2nnc(Cc3c(Cl)cccc3Cl)[nH]2)CC1 ZINC000670452714 564159664 /nfs/dbraw/zinc/15/96/64/564159664.db2.gz PEQMEYYEGBKPEW-UHFFFAOYSA-N 1 0 325.243 3.512 50 0 EHAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2sccc2Cl)C1 ZINC000670460040 564160985 /nfs/dbraw/zinc/16/09/85/564160985.db2.gz DCJRVGPPLCYONB-AWEZNQCLSA-N 1 0 348.899 3.929 50 0 EHAARO Cc1cnc(-c2cccc(NC(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)c2)o1 ZINC000066974220 564164905 /nfs/dbraw/zinc/16/49/05/564164905.db2.gz JWMKGPGQDSGQBZ-OAHLLOKOSA-N 1 0 342.443 3.502 50 0 EHAARO C[C@H]([NH2+]Cc1ccccc1OCc1cccnc1)[C@H](C)n1cccn1 ZINC000069415994 564169268 /nfs/dbraw/zinc/16/92/68/564169268.db2.gz CGDRNNCNMVMATP-IRXDYDNUSA-N 1 0 336.439 3.596 50 0 EHAARO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000069535139 564170322 /nfs/dbraw/zinc/17/03/22/564170322.db2.gz KDKGDUOUJNJIJP-UHFFFAOYSA-N 1 0 325.403 3.551 50 0 EHAARO Cn1cc(C[NH2+]Cc2ccc(F)c(Cl)c2)c(-c2ccncc2)n1 ZINC000069630044 564171075 /nfs/dbraw/zinc/17/10/75/564171075.db2.gz CYQCXOWDWWIQQU-UHFFFAOYSA-N 1 0 330.794 3.564 50 0 EHAARO CC(C)n1c2ccccc2nc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000069705758 564171656 /nfs/dbraw/zinc/17/16/56/564171656.db2.gz HRCFVHADWPBDGW-SFHVURJKSA-N 1 0 327.403 3.580 50 0 EHAARO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(F)cc3cccnc32)cc1 ZINC000069744752 564171978 /nfs/dbraw/zinc/17/19/78/564171978.db2.gz BAUNJXJPYUNFDW-IBGZPJMESA-N 1 0 340.398 3.548 50 0 EHAARO C[C@H](C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1)[NH+]1CCCC1 ZINC000077525014 564176751 /nfs/dbraw/zinc/17/67/51/564176751.db2.gz ZHAMAWZSRLWVIG-QGZVFWFLSA-N 1 0 338.451 3.922 50 0 EHAARO CCCOc1cccc2c(NC3CC[NH+](CCOC)CC3)ccnc12 ZINC000194707423 1032420135 /nfs/dbraw/zinc/42/01/35/1032420135.db2.gz RWDSLBSDHMQGLR-UHFFFAOYSA-N 1 0 343.471 3.546 50 0 EHAARO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc2ccncc2s1 ZINC000657933667 1033683401 /nfs/dbraw/zinc/68/34/01/1033683401.db2.gz WIIKZGUZOUXCDV-SECBINFHSA-N 1 0 340.374 3.899 50 0 EHAARO CC1(C)CCC(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000179438563 1034305273 /nfs/dbraw/zinc/30/52/73/1034305273.db2.gz CSKBENKLIZEGDQ-LJQANCHMSA-N 1 0 328.500 3.841 50 0 EHAARO O=c1c2ccc(Cl)cc2ncn1CC1([NH+]2CCCCC2)CCCC1 ZINC000032511851 1036618822 /nfs/dbraw/zinc/61/88/22/1036618822.db2.gz JIOMGTAPUHOKAK-UHFFFAOYSA-N 1 0 345.874 3.849 50 0 EHAARO COC1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCCCC1 ZINC000187444406 1037353504 /nfs/dbraw/zinc/35/35/04/1037353504.db2.gz LZNHTGWWWGZWSR-IBGZPJMESA-N 1 0 333.472 3.683 50 0 EHAARO CC(C)[N@@H+]1CC2(CCN(C(=O)c3ccoc3)CC2)[C@H]1c1ccccc1 ZINC000257188322 1038478402 /nfs/dbraw/zinc/47/84/02/1038478402.db2.gz MOQRLZMLYCRPHC-LJQANCHMSA-N 1 0 338.451 3.967 50 0 EHAARO Clc1ccc([C@H](Cc2cccnc2)[NH2+]CC2=CCCOC2)cc1 ZINC000348248777 1040410444 /nfs/dbraw/zinc/41/04/44/1040410444.db2.gz XMTJIOXHMIHFTK-IBGZPJMESA-N 1 0 328.843 3.955 50 0 EHAARO Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000106136223 1041570926 /nfs/dbraw/zinc/57/09/26/1041570926.db2.gz CRDMMPKFDURCLO-KGLIPLIRSA-N 1 0 343.446 3.533 50 0 EHAARO O=C(/C=C/c1cccs1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000032217091 1121022342 /nfs/dbraw/zinc/02/23/42/1121022342.db2.gz CLXQNIZSZZRKFW-DOJUMQAQSA-N 1 0 326.465 3.715 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)n1 ZINC000181141562 1131047128 /nfs/dbraw/zinc/04/71/28/1131047128.db2.gz OLDKURQDDFNQQI-OAHLLOKOSA-N 1 0 336.439 3.655 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)o1 ZINC000065287795 1131537479 /nfs/dbraw/zinc/53/74/79/1131537479.db2.gz RWSALXCJZUSYCO-GOSISDBHSA-N 1 0 336.439 3.607 50 0 EHAARO Cc1ccsc1C[N@H+]1CC[C@H](n2c(C)cnc2C2CCOCC2)C1 ZINC000575550770 1131573164 /nfs/dbraw/zinc/57/31/64/1131573164.db2.gz XZPOWZNGSZOEFN-KRWDZBQOSA-N 1 0 345.512 3.902 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000581807393 1132369898 /nfs/dbraw/zinc/36/98/98/1132369898.db2.gz IKTVWPDOUSYEGH-QGZVFWFLSA-N 1 0 346.434 3.704 50 0 EHAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)c2ccccc2F)CC1 ZINC000581817050 1132374620 /nfs/dbraw/zinc/37/46/20/1132374620.db2.gz XPJHYBHHSSQLMN-UHFFFAOYSA-N 1 0 343.446 3.836 50 0 EHAARO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000585117703 1137010493 /nfs/dbraw/zinc/01/04/93/1137010493.db2.gz TUYRVEDVHBUJRO-OCBCSQNSSA-N 1 0 334.822 3.925 50 0 EHAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000585120926 1137012438 /nfs/dbraw/zinc/01/24/38/1137012438.db2.gz XKSFAMJZTQWFQX-FQEVSTJZSA-N 1 0 337.467 3.561 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)c1ccnn1C ZINC000192732514 1137456549 /nfs/dbraw/zinc/45/65/49/1137456549.db2.gz IXSJMXAUQYIBDU-CYBMUJFWSA-N 1 0 326.375 3.597 50 0 EHAARO CCc1cc(N2CC[C@@H](OCc3ccncc3)C2)c2ccccc2[nH+]1 ZINC000192901385 1137456888 /nfs/dbraw/zinc/45/68/88/1137456888.db2.gz WGEHZHXFRPPTRN-GOSISDBHSA-N 1 0 333.435 3.988 50 0 EHAARO CC(C)Oc1ccc(C[N@H+](C)[C@H](c2ccccn2)C2CC2)cc1CO ZINC000952860323 1137482660 /nfs/dbraw/zinc/48/26/60/1137482660.db2.gz MHCKDWQYMJCRNA-NRFANRHFSA-N 1 0 340.467 3.944 50 0 EHAARO CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000952979938 1137484836 /nfs/dbraw/zinc/48/48/36/1137484836.db2.gz POKFMJZXKOYZBA-UHFFFAOYSA-N 1 0 347.846 3.847 50 0 EHAARO COc1ccc(/C=C/C[N@H+](Cc2c(C)nn(C)c2C)C2CC2)cc1 ZINC000952990427 1137485725 /nfs/dbraw/zinc/48/57/25/1137485725.db2.gz QJILCGDKHTUWOW-AATRIKPKSA-N 1 0 325.456 3.723 50 0 EHAARO Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)ccc1Br ZINC000004743655 210266834 /nfs/dbraw/zinc/26/68/34/210266834.db2.gz NWLWWFSYPYQXJE-GFCCVEGCSA-N 1 0 339.277 3.818 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@H](C)Cc2ccccc2)c2ccccc2n1 ZINC000051330928 214089236 /nfs/dbraw/zinc/08/92/36/214089236.db2.gz CEHHNKULQCVZBC-OAHLLOKOSA-N 1 0 333.435 3.703 50 0 EHAARO CC[N@H+](CCc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000052968733 214158040 /nfs/dbraw/zinc/15/80/40/214158040.db2.gz NSOWYSLQMOTNFJ-UHFFFAOYSA-N 1 0 347.418 3.734 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccs1 ZINC000055132699 214277557 /nfs/dbraw/zinc/27/75/57/214277557.db2.gz ATHYGXMZNHSWPZ-ZDUSSCGKSA-N 1 0 331.441 3.504 50 0 EHAARO CCOc1cccc(C[N@H+](CCO)Cc2cnc3ccccc3c2)c1 ZINC000055226242 214292478 /nfs/dbraw/zinc/29/24/78/214292478.db2.gz GGQHFCIMZLNXFD-UHFFFAOYSA-N 1 0 336.435 3.628 50 0 EHAARO CCOc1ccccc1OCC[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000055243022 214293848 /nfs/dbraw/zinc/29/38/48/214293848.db2.gz HVYVPQFJOGDGPK-UHFFFAOYSA-N 1 0 342.439 3.555 50 0 EHAARO CC(=O)Oc1c(C)cc(C[NH2+][C@H](C)c2nc3ccccc3[nH]2)cc1C ZINC000055369000 214312973 /nfs/dbraw/zinc/31/29/73/214312973.db2.gz BPRNJKKNNROYNA-CQSZACIVSA-N 1 0 337.423 3.956 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cc3c(cc2Cl)OCO3)c1 ZINC000055401804 214319144 /nfs/dbraw/zinc/31/91/44/214319144.db2.gz WMBJQVVSFGGPAP-ZDUSSCGKSA-N 1 0 332.831 3.835 50 0 EHAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2Oc2ccc(F)cc2)C1 ZINC000097784785 219057173 /nfs/dbraw/zinc/05/71/73/219057173.db2.gz YYOFPYAAMBPXOO-HNNXBMFYSA-N 1 0 343.402 3.786 50 0 EHAARO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000058084698 214477360 /nfs/dbraw/zinc/47/73/60/214477360.db2.gz JFLMQKHRQMZKGV-OCCSQVGLSA-N 1 0 345.512 3.574 50 0 EHAARO CCC[NH+]1CCC(N(C)C(=O)c2oc3c(cccc3OC)c2C)CC1 ZINC000058370925 214565145 /nfs/dbraw/zinc/56/51/45/214565145.db2.gz GSOUGFMXZQTELZ-UHFFFAOYSA-N 1 0 344.455 3.696 50 0 EHAARO CCCCCOc1cccc(NC(=O)O[C@H]2C[NH+]3CCC2CC3)c1 ZINC000004566629 210221624 /nfs/dbraw/zinc/22/16/24/210221624.db2.gz QCSWLZIYGJLXQK-SFHVURJKSA-N 1 0 332.444 3.898 50 0 EHAARO COc1ccc(-c2noc(C[NH+]3[C@@H](C)CCC[C@@H]3C)n2)cc1OC ZINC000004487211 210201909 /nfs/dbraw/zinc/20/19/09/210201909.db2.gz IVQNNXPHXLZQCV-STQMWFEESA-N 1 0 331.416 3.517 50 0 EHAARO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc2c(cccc2F)s1 ZINC000004359762 210180582 /nfs/dbraw/zinc/18/05/82/210180582.db2.gz CJOWVGDYVAIVBQ-UHFFFAOYSA-N 1 0 347.415 3.627 50 0 EHAARO Cc1ccccc1C(=O)NCC1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000065455843 214915388 /nfs/dbraw/zinc/91/53/88/214915388.db2.gz GFZAJYYJGRTYRZ-UHFFFAOYSA-N 1 0 338.426 3.696 50 0 EHAARO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000066676295 215067069 /nfs/dbraw/zinc/06/70/69/215067069.db2.gz KPICXBLPXODKJH-SFHVURJKSA-N 1 0 326.484 3.713 50 0 EHAARO CC1CC[NH+](CCCNC(=O)CCc2ccc(Cl)s2)CC1 ZINC000044355712 213619280 /nfs/dbraw/zinc/61/92/80/213619280.db2.gz AQYFIXDBTQTJEW-UHFFFAOYSA-N 1 0 328.909 3.572 50 0 EHAARO c1cn(-c2ccc(C[NH2+]Cc3cnc(-c4ccccc4)s3)cn2)cn1 ZINC000066971426 215100086 /nfs/dbraw/zinc/10/00/86/215100086.db2.gz WVPZEDXXLLSMCV-UHFFFAOYSA-N 1 0 347.447 3.681 50 0 EHAARO Cc1cc[nH+]c(NCCn2cnc(-c3ccccc3)c2-c2ncc[nH]2)c1 ZINC000067447252 215147172 /nfs/dbraw/zinc/14/71/72/215147172.db2.gz JELCUMSNRGCXJG-UHFFFAOYSA-N 1 0 344.422 3.756 50 0 EHAARO CC(C)C[C@H]1C[N@H+](Cc2cccc(Cn3cccn3)c2)CC[C@@]1(C)O ZINC000067740390 215199236 /nfs/dbraw/zinc/19/92/36/215199236.db2.gz OUMPZOVUUOEJAW-LEWJYISDSA-N 1 0 341.499 3.550 50 0 EHAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000067834389 215223949 /nfs/dbraw/zinc/22/39/49/215223949.db2.gz QEBAIHMBYDYBEF-ZDUSSCGKSA-N 1 0 340.452 3.563 50 0 EHAARO Clc1ccccc1-c1cc(C2CCN([C@@H]3CCC[NH2+]C3)CC2)[nH]n1 ZINC000067920287 215249468 /nfs/dbraw/zinc/24/94/68/215249468.db2.gz LLEUZHNBPOCIQA-OAHLLOKOSA-N 1 0 344.890 3.662 50 0 EHAARO Oc1cccc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 ZINC000067934060 215252665 /nfs/dbraw/zinc/25/26/65/215252665.db2.gz WSWWPYQOSZUHMT-FCHUYYIVSA-N 1 0 333.431 3.896 50 0 EHAARO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000040497563 213322333 /nfs/dbraw/zinc/32/23/33/213322333.db2.gz KROGSIVFNARDNJ-ZDUSSCGKSA-N 1 0 327.815 3.541 50 0 EHAARO Cc1csc2nc(C[N@@H+](C)[C@@H](C)c3ccc(Cl)cc3)cc(=O)n12 ZINC000040063167 213256811 /nfs/dbraw/zinc/25/68/11/213256811.db2.gz XXKFAWIGPQLTQC-LBPRGKRZSA-N 1 0 347.871 3.911 50 0 EHAARO Cn1c(-c2ccc(Br)cc2)c[nH+]c1NCc1cccnc1 ZINC000000819078 209690941 /nfs/dbraw/zinc/69/09/41/209690941.db2.gz XGRDDAXHCITUGZ-UHFFFAOYSA-N 1 0 343.228 3.857 50 0 EHAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COCc1ccccc1 ZINC000036099375 213064865 /nfs/dbraw/zinc/06/48/65/213064865.db2.gz MGPIXFHJVZJICS-APWZRJJASA-N 1 0 333.497 3.926 50 0 EHAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)Cc1ccccc1 ZINC000036095960 213062762 /nfs/dbraw/zinc/06/27/62/213062762.db2.gz POHFEOGFYTZEJA-LJQANCHMSA-N 1 0 343.467 3.519 50 0 EHAARO C[NH+]1CCC(N(Cc2cccnc2)Cc2cccc(Cl)c2)CC1 ZINC000072130675 216021366 /nfs/dbraw/zinc/02/13/66/216021366.db2.gz NQKLAZNHFMNDDD-UHFFFAOYSA-N 1 0 329.875 3.831 50 0 EHAARO O=C(N1CCC[C@@H]([NH+]2CCCC2)C1)C1(c2ccc(Cl)cc2)CCC1 ZINC000072144160 216030944 /nfs/dbraw/zinc/03/09/44/216030944.db2.gz DYTPHYNXKPLEDO-GOSISDBHSA-N 1 0 346.902 3.849 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000129372498 223049052 /nfs/dbraw/zinc/04/90/52/223049052.db2.gz LZTPYZUNFXVPAW-LSDHHAIUSA-N 1 0 338.377 3.786 50 0 EHAARO CCOC(=O)c1c2cc(OC)ccc2oc1C[N@@H+]1CCCC[C@H]1C ZINC000000054437 209391898 /nfs/dbraw/zinc/39/18/98/209391898.db2.gz IXEWQDWLSGEPBF-CYBMUJFWSA-N 1 0 331.412 3.993 50 0 EHAARO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000073104295 216350685 /nfs/dbraw/zinc/35/06/85/216350685.db2.gz LZMNIUSXWXUGHX-BRWVUGGUSA-N 1 0 342.483 3.659 50 0 EHAARO COC(=O)c1ccc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000023360324 212370697 /nfs/dbraw/zinc/37/06/97/212370697.db2.gz YJOHCRPXMUWLEK-FQEVSTJZSA-N 1 0 344.499 3.608 50 0 EHAARO CCn1c(C)cc(O)c([C@H](c2cccs2)[NH+]2CCC(C)CC2)c1=O ZINC000022697542 212317190 /nfs/dbraw/zinc/31/71/90/212317190.db2.gz RYCTXYPXUCHORG-SFHVURJKSA-N 1 0 346.496 3.765 50 0 EHAARO OCCC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216311672 241182071 /nfs/dbraw/zinc/18/20/71/241182071.db2.gz NBMVZKBJRYYVFC-SFHVURJKSA-N 1 0 345.874 3.924 50 0 EHAARO CN(CC[NH+]1CCCCCC1)C(=O)c1cc2c(cccc2Cl)[nH]1 ZINC000216414446 241192447 /nfs/dbraw/zinc/19/24/47/241192447.db2.gz NWXBJCVDZOCCLA-UHFFFAOYSA-N 1 0 333.863 3.769 50 0 EHAARO Cc1cc(OCc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)cc(C)c1Cl ZINC000219477083 241387008 /nfs/dbraw/zinc/38/70/08/241387008.db2.gz KUKPAIQQFQOLQN-BETUJISGSA-N 1 0 346.862 3.667 50 0 EHAARO CCc1ccc(CNc2ccc(Cl)c(C[N@H+](C)CCO)c2)cc1 ZINC000225836112 242057575 /nfs/dbraw/zinc/05/75/75/242057575.db2.gz BMFQEKISRCRMTH-UHFFFAOYSA-N 1 0 332.875 3.939 50 0 EHAARO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2CC)ccc1O ZINC000021720956 212243634 /nfs/dbraw/zinc/24/36/34/212243634.db2.gz DGKJVZXCGJSWMU-OAHLLOKOSA-N 1 0 330.428 3.987 50 0 EHAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cccc2Cl)[nH]1 ZINC000230209918 242249586 /nfs/dbraw/zinc/24/95/86/242249586.db2.gz ZIAOWARRTKNEFG-ACJLOTCBSA-N 1 0 345.874 3.816 50 0 biogenic EHAARO CCC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000021102279 212207418 /nfs/dbraw/zinc/20/74/18/212207418.db2.gz LMXZQNSLSBQNAA-UHFFFAOYSA-N 1 0 341.480 3.785 50 0 EHAARO O=C(Nc1ccncc1)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000020730216 212166412 /nfs/dbraw/zinc/16/64/12/212166412.db2.gz XMPYRSBZXNOTJO-UHFFFAOYSA-N 1 0 343.430 3.742 50 0 EHAARO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)cc2c1 ZINC000253536515 244012590 /nfs/dbraw/zinc/01/25/90/244012590.db2.gz HJBPZLMAGGEWDS-OAHLLOKOSA-N 1 0 336.439 3.660 50 0 EHAARO COc1cccc(OC)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(C)C)C1 ZINC000020452760 212131132 /nfs/dbraw/zinc/13/11/32/212131132.db2.gz ZIHCFNAOCRPBIZ-HNNXBMFYSA-N 1 0 343.471 3.930 50 0 EHAARO CS[C@@H]1CCCCCCCC[C@@H]2COC[C@@H]2[C@@H]1[NH+]1CCOCC1 ZINC000020111413 212102302 /nfs/dbraw/zinc/10/23/02/212102302.db2.gz BAGWWHWHYXXQCV-HCXYKTFWSA-N 1 0 341.561 3.816 50 0 biogenic EHAARO Cc1cc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)cc(C)[nH+]1 ZINC000077389991 216891683 /nfs/dbraw/zinc/89/16/83/216891683.db2.gz WVEYFXKJFGXKGS-NRFANRHFSA-N 1 0 341.499 3.850 50 0 EHAARO C[NH+]1CCN([C@H]2Cc3ccccc3Sc3cc(F)ccc32)CC1 ZINC000019802281 212070245 /nfs/dbraw/zinc/07/02/45/212070245.db2.gz JHVUZQFWNDBWDL-KRWDZBQOSA-N 1 0 328.456 3.822 50 0 EHAARO Cc1cccc(N2C[C@@](O)(c3ccc(C)cc3C)[N+]3=C2CCCC3)c1 ZINC000017180354 211958624 /nfs/dbraw/zinc/95/86/24/211958624.db2.gz MADQYXXUKSEWQJ-JOCHJYFZSA-N 1 0 335.471 3.872 50 0 EHAARO CCC[NH+]1CCC(NC(=O)c2cc3c(s2)CC[C@H](CC)C3)CC1 ZINC000016605822 211919382 /nfs/dbraw/zinc/91/93/82/211919382.db2.gz BJFPYMJMNLSJTJ-AWEZNQCLSA-N 1 0 334.529 3.867 50 0 EHAARO Fc1cccc(NC(=S)N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000013691016 211612523 /nfs/dbraw/zinc/61/25/23/211612523.db2.gz YUHOJNNEBQAJSN-KRWDZBQOSA-N 1 0 335.492 3.863 50 0 EHAARO Cc1nn(C)c(C)c1CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089505836 217805938 /nfs/dbraw/zinc/80/59/38/217805938.db2.gz YXQFAGJXYUNZAT-UHFFFAOYSA-N 1 0 328.847 3.571 50 0 EHAARO COCC1CC[NH+](Cc2nc(-c3cc(F)ccc3F)oc2C)CC1 ZINC000012712620 211437602 /nfs/dbraw/zinc/43/76/02/211437602.db2.gz GNIVDLXUYSIBDD-UHFFFAOYSA-N 1 0 336.382 3.787 50 0 EHAARO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000089885205 217871414 /nfs/dbraw/zinc/87/14/14/217871414.db2.gz RRPFUQYBRJXITG-QAPCUYQASA-N 1 0 343.446 3.547 50 0 EHAARO CC(C)C[NH+](CC(C)C)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000012422053 211376585 /nfs/dbraw/zinc/37/65/85/211376585.db2.gz ADXWNWVBVVCJEJ-KGMASTOKSA-N 1 0 337.548 3.947 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@H]2CCCO)cc1C ZINC000012302737 211339621 /nfs/dbraw/zinc/33/96/21/211339621.db2.gz AYTZJAXWAMTSDS-IBGZPJMESA-N 1 0 327.472 3.821 50 0 EHAARO COc1ccc([C@H](CNC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000012062595 211285054 /nfs/dbraw/zinc/28/50/54/211285054.db2.gz HIFFGYRGVBBGKT-KRWDZBQOSA-N 1 0 344.480 3.714 50 0 EHAARO CC(C)c1nc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cs1 ZINC000012058297 211284786 /nfs/dbraw/zinc/28/47/86/211284786.db2.gz IFFPORYURIADGG-LJQANCHMSA-N 1 0 347.528 3.605 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccc2[nH]ccc2c1 ZINC000012025788 211281768 /nfs/dbraw/zinc/28/17/68/211281768.db2.gz CALHODQEOAZDFJ-IBGZPJMESA-N 1 0 339.483 3.942 50 0 EHAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011937495 211272481 /nfs/dbraw/zinc/27/24/81/211272481.db2.gz ONKZAMARCNMZDO-HXUWFJFHSA-N 1 0 343.515 3.697 50 0 EHAARO Fc1cccc(Cl)c1CSc1nnc(C2CC[NH2+]CC2)o1 ZINC000011903944 211266756 /nfs/dbraw/zinc/26/67/56/211266756.db2.gz IMBAZCHJRPNLKJ-UHFFFAOYSA-N 1 0 327.812 3.621 50 0 EHAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000091586683 218025607 /nfs/dbraw/zinc/02/56/07/218025607.db2.gz BCEXIMBVZMLYSN-IBGZPJMESA-N 1 0 332.447 3.792 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](CCc3ccc(OC)cc3)C2)cn1 ZINC000011840469 211253883 /nfs/dbraw/zinc/25/38/83/211253883.db2.gz CCRUTBGJVLNWPA-GOSISDBHSA-N 1 0 327.472 3.756 50 0 EHAARO CCn1ccnc1[C@H]1CCC[N@H+](CCCOc2cccc(OC)c2)C1 ZINC000091604756 218031478 /nfs/dbraw/zinc/03/14/78/218031478.db2.gz NCYIYUVYLSFLJB-KRWDZBQOSA-N 1 0 343.471 3.560 50 0 EHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N(C)C1CCCCC1)C[C@H](C)O2 ZINC000011783868 211248226 /nfs/dbraw/zinc/24/82/26/211248226.db2.gz LLNXANHLYDQUAP-KRWDZBQOSA-N 1 0 344.499 3.759 50 0 EHAARO CCC(CC)[NH+]1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000091746402 218058619 /nfs/dbraw/zinc/05/86/19/218058619.db2.gz HFPTYYNFJOROPZ-UHFFFAOYSA-N 1 0 343.515 3.517 50 0 EHAARO Cc1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000091792923 218066847 /nfs/dbraw/zinc/06/68/47/218066847.db2.gz VIAGVMVRPZQTLJ-AZUAARDMSA-N 1 0 339.458 3.626 50 0 EHAARO OCc1cccc(C[C@H]2CC[N@H+](Cc3ccc(OC(F)F)cc3)C2)c1 ZINC000091951464 218093552 /nfs/dbraw/zinc/09/35/52/218093552.db2.gz QDDWFFUGTRTSON-QGZVFWFLSA-N 1 0 347.405 3.845 50 0 EHAARO CC[N@@H+](Cc1ccccc1)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434767 211172887 /nfs/dbraw/zinc/17/28/87/211172887.db2.gz FLVQWHBHFYORRA-SWXIYASGSA-N 1 0 343.511 3.855 50 0 EHAARO C[C@@H]([NH2+]C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010383888 211168922 /nfs/dbraw/zinc/16/89/22/211168922.db2.gz BBNIUQHMXMTCJF-PIJQQVESSA-N 1 0 343.511 3.931 50 0 EHAARO COc1ccc(-c2noc(NCCC[N@H+](C)C3CCCCC3)n2)cc1 ZINC000009726833 211120058 /nfs/dbraw/zinc/12/00/58/211120058.db2.gz ZBEWKILJOAQVKI-UHFFFAOYSA-N 1 0 344.459 3.812 50 0 EHAARO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093864312 218253935 /nfs/dbraw/zinc/25/39/35/218253935.db2.gz XSKJBAYFFMLYAY-SFHVURJKSA-N 1 0 349.438 3.512 50 0 EHAARO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000009305651 211063545 /nfs/dbraw/zinc/06/35/45/211063545.db2.gz HGZNFTWAKJSZJA-HNNXBMFYSA-N 1 0 348.830 3.509 50 0 EHAARO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062772 211038016 /nfs/dbraw/zinc/03/80/16/211038016.db2.gz UPTOKXPMPKXHHZ-UHFFFAOYSA-N 1 0 338.451 3.936 50 0 EHAARO Cc1ncsc1C[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095360889 218294554 /nfs/dbraw/zinc/29/45/54/218294554.db2.gz BCEMJHDFBHCPKJ-INIZCTEOSA-N 1 0 330.501 3.828 50 0 EHAARO CN(CC[C@H]1CCCCO1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095376987 218310156 /nfs/dbraw/zinc/31/01/56/218310156.db2.gz RVNTWHOUUIULNV-HXUWFJFHSA-N 1 0 344.499 3.704 50 0 EHAARO Cc1nc2ncccc2c(N(C)Cc2ccccc2C[NH+]2CCCC2)n1 ZINC000095387113 218318999 /nfs/dbraw/zinc/31/89/99/218318999.db2.gz RLWSDTZBEKNLNK-UHFFFAOYSA-N 1 0 347.466 3.565 50 0 EHAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cccc4cccnc43)C2)c1 ZINC000095402541 218337445 /nfs/dbraw/zinc/33/74/45/218337445.db2.gz ZCLQWEITICGFBB-KRWDZBQOSA-N 1 0 347.462 3.860 50 0 EHAARO C[C@@H](c1ccco1)N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000095409971 218346589 /nfs/dbraw/zinc/34/65/89/218346589.db2.gz QSORPQHWIGLBDM-YTTRVJOFSA-N 1 0 331.460 3.530 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1N(C)C ZINC000095420072 218360541 /nfs/dbraw/zinc/36/05/41/218360541.db2.gz YDEOYRSEJSCOLJ-HNNXBMFYSA-N 1 0 342.462 3.738 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1F ZINC000095420519 218361566 /nfs/dbraw/zinc/36/15/66/218361566.db2.gz AKNKYKMZEMUXRM-INIZCTEOSA-N 1 0 328.431 3.509 50 0 EHAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cn3ccsc3n2)c(C)c1 ZINC000095421024 218362314 /nfs/dbraw/zinc/36/23/14/218362314.db2.gz BJGAKJOIQNSYOP-CQSZACIVSA-N 1 0 342.468 3.520 50 0 EHAARO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000095420653 218362385 /nfs/dbraw/zinc/36/23/85/218362385.db2.gz NQBYACFLRUVTGD-MRXNPFEDSA-N 1 0 340.442 3.669 50 0 EHAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c(C)c1 ZINC000095423056 218365072 /nfs/dbraw/zinc/36/50/72/218365072.db2.gz DMWPBCUQMFHEAL-YLJYHZDGSA-N 1 0 340.467 3.734 50 0 EHAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(C)c1 ZINC000095422985 218365336 /nfs/dbraw/zinc/36/53/36/218365336.db2.gz LKUMSAXESHRGGK-BEFAXECRSA-N 1 0 346.496 3.579 50 0 EHAARO C[C@H](C[C@@H](C)[NH2+]CC1(c2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000095455518 218398492 /nfs/dbraw/zinc/39/84/92/218398492.db2.gz QLFYYPJFPUXHQI-HZPDHXFCSA-N 1 0 332.488 4.000 50 0 EHAARO O[C@@H](C[NH2+]CCC1=CCCCC1)CO[C@H]1CCCc2ccccc21 ZINC000007777151 210844538 /nfs/dbraw/zinc/84/45/38/210844538.db2.gz LGUIMFRNFPBGFE-FPOVZHCZSA-N 1 0 329.484 3.922 50 0 EHAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccc(F)cc1 ZINC000005019158 210364181 /nfs/dbraw/zinc/36/41/81/210364181.db2.gz PXDAJQVGPZMSMR-GOSISDBHSA-N 1 0 345.414 3.682 50 0 EHAARO Cc1cccnc1[C@@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)C1CC1 ZINC000097570955 219036693 /nfs/dbraw/zinc/03/66/93/219036693.db2.gz ZIPSUPXUROCWSA-IBGZPJMESA-N 1 0 343.515 3.904 50 0 EHAARO O=C(Nc1cc(Cl)ccc1F)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000119772356 221397537 /nfs/dbraw/zinc/39/75/37/221397537.db2.gz FTPAPZZYOCFURW-CYBMUJFWSA-N 1 0 339.842 3.819 50 0 EHAARO CCCCN(CCCC)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000408520995 257979504 /nfs/dbraw/zinc/97/95/04/257979504.db2.gz DXLWHJWYPYUOGB-KRWDZBQOSA-N 1 0 326.550 3.633 50 0 EHAARO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1)c1ccc(F)cc1F ZINC000299754059 258005927 /nfs/dbraw/zinc/00/59/27/258005927.db2.gz SYMHHTHZAYNWNH-FASAQXTFSA-N 1 0 349.425 4.000 50 0 EHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000299740079 258010002 /nfs/dbraw/zinc/01/00/02/258010002.db2.gz VMXZXVHDVDMKLG-ZBFHGGJFSA-N 1 0 342.414 3.817 50 0 EHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3[nH]c4ccccc4c3C)[C@H]2C1 ZINC000299780936 258089350 /nfs/dbraw/zinc/08/93/50/258089350.db2.gz BHJJWVFKQWGFBL-RYGJVYDSSA-N 1 0 328.456 3.635 50 0 EHAARO COc1cccc([C@H]2CCN2C(=O)Nc2c(C)cc(C)nc2C)c1 ZINC000299786095 258093209 /nfs/dbraw/zinc/09/32/09/258093209.db2.gz PDJRSTXRPDEUJT-QGZVFWFLSA-N 1 0 325.412 3.994 50 0 EHAARO O=C(NCCCc1ccco1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299793800 258098513 /nfs/dbraw/zinc/09/85/13/258098513.db2.gz IDRCMSJOYCDRIE-ZCNNSNEGSA-N 1 0 338.451 3.554 50 0 EHAARO Cc1ccc([C@H]2CC(c3ccccc3O)=NC3(CC[NH+](C)CC3)N2)cc1 ZINC000065298470 258062921 /nfs/dbraw/zinc/06/29/21/258062921.db2.gz JGZMMFSIVHRAQR-LJQANCHMSA-N 1 0 349.478 3.646 50 0 biogenic EHAARO COc1cccc(SCC(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1 ZINC000089585394 258066196 /nfs/dbraw/zinc/06/61/96/258066196.db2.gz CJKSZYBRSCCRHP-UHFFFAOYSA-N 1 0 344.480 3.796 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2[nH]ccc2c1)c1ccco1 ZINC000096164920 258067808 /nfs/dbraw/zinc/06/78/08/258067808.db2.gz INDJASDHNCABOI-KRWDZBQOSA-N 1 0 340.427 3.966 50 0 EHAARO COc1ccc(C[N@H+]2CC[C@H](OC)C2)cc1OCc1cccc(F)c1 ZINC000215990091 258072225 /nfs/dbraw/zinc/07/22/25/258072225.db2.gz HZSHCBZZJKNKHP-SFHVURJKSA-N 1 0 345.414 3.634 50 0 EHAARO O=C(NCc1ccsc1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299760196 258077227 /nfs/dbraw/zinc/07/72/27/258077227.db2.gz OWEBQYHEYQCCOM-KSZLIROESA-N 1 0 326.465 3.590 50 0 EHAARO OCCCC[NH2+]C1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000063855860 132806207 /nfs/dbraw/zinc/80/62/07/132806207.db2.gz CUWQWIWANPRLHC-UHFFFAOYSA-N 1 0 342.458 3.824 50 0 EHAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000002894018 135658837 /nfs/dbraw/zinc/65/88/37/135658837.db2.gz PYAZUZXYRQWQLD-KRWDZBQOSA-N 1 0 342.458 3.978 50 0 EHAARO [NH3+]Cc1ccc(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)o1 ZINC000163029791 225910934 /nfs/dbraw/zinc/91/09/34/225910934.db2.gz BTRDGPUJLVIMJU-UHFFFAOYSA-N 1 0 330.403 3.505 50 0 EHAARO CC(C)c1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)no1 ZINC000123414819 222273728 /nfs/dbraw/zinc/27/37/28/222273728.db2.gz BBNYAOLJZYXZID-KRWDZBQOSA-N 1 0 341.455 3.535 50 0 EHAARO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1NC(C)=O ZINC000129584171 533692212 /nfs/dbraw/zinc/69/22/12/533692212.db2.gz MVPUGKRPNYKDOT-ZIAGYGMSSA-N 1 0 344.377 3.864 50 0 EHAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCc1ccco1 ZINC000036100796 521683694 /nfs/dbraw/zinc/68/36/94/521683694.db2.gz JMRZNSGZJNQYBZ-LJQANCHMSA-N 1 0 331.456 3.686 50 0 EHAARO CCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COCc1ccccc1 ZINC000036101469 521683747 /nfs/dbraw/zinc/68/37/47/521683747.db2.gz OMQXRPWQTRIRDF-GOSISDBHSA-N 1 0 333.497 3.846 50 0 EHAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3ccc(F)cc3C)c(F)c2)C1 ZINC000178992370 522091508 /nfs/dbraw/zinc/09/15/08/522091508.db2.gz QLLDHTNAVWIATG-CQSZACIVSA-N 1 0 344.405 3.622 50 0 EHAARO C[C@@H]1C[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000239782564 525266365 /nfs/dbraw/zinc/26/63/65/525266365.db2.gz CPFWFKKCCDAZME-MUJYYYPQSA-N 1 0 340.508 3.569 50 0 EHAARO COc1ccc(/C=C/C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1 ZINC000215874414 536596572 /nfs/dbraw/zinc/59/65/72/536596572.db2.gz PQTKIJYJLMFTEQ-KOXUSJRISA-N 1 0 338.451 3.785 50 0 EHAARO Cc1nc([C@@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000089709060 564113354 /nfs/dbraw/zinc/11/33/54/564113354.db2.gz GRPVRPNOKKOFJI-GFCCVEGCSA-N 1 0 339.505 3.749 50 0 EHAARO CC(C)[NH2+]Cc1cc(-c2ccc(Br)c(Cl)c2)n[nH]1 ZINC000725264793 564177738 /nfs/dbraw/zinc/17/77/38/564177738.db2.gz XUSKOFZMKGWLFI-UHFFFAOYSA-N 1 0 328.641 3.991 50 0 EHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212359 563261287 /nfs/dbraw/zinc/26/12/87/563261287.db2.gz UKVLMUAKVYCBPY-LJQANCHMSA-N 1 0 344.499 3.700 50 0 EHAARO CC[NH+](CC)C[C@H](O)CN1c2ccccc2Sc2ccccc21 ZINC000000351090 563289469 /nfs/dbraw/zinc/28/94/69/563289469.db2.gz HKIGNQYJMXLHTG-HNNXBMFYSA-N 1 0 328.481 3.992 50 0 EHAARO CCOC(=O)c1ccc(C(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000002515057 563435948 /nfs/dbraw/zinc/43/59/48/563435948.db2.gz KCPDVUTXEGGRHS-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000002586028 563443621 /nfs/dbraw/zinc/44/36/21/563443621.db2.gz MOJZPKOBKCXNKG-YJBOKZPZSA-N 1 0 343.398 3.669 50 0 investigational EHAARO S=C(NCCC[NH2+]C1CCCCC1)Nc1ccc(Cl)cc1 ZINC000003131665 563474111 /nfs/dbraw/zinc/47/41/11/563474111.db2.gz OGVANQSRPQICLP-UHFFFAOYSA-N 1 0 325.909 3.939 50 0 EHAARO c1ccc(N2CCN(C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000004561149 563505384 /nfs/dbraw/zinc/50/53/84/563505384.db2.gz NEMCWDJPSWVJBV-UHFFFAOYSA-N 1 0 327.516 3.606 50 0 EHAARO C[C@@H]1CCC[C@@H]([NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)C1 ZINC000004712151 563508833 /nfs/dbraw/zinc/50/88/33/563508833.db2.gz SVKBQAXMGBRMLF-DENIHFKCSA-N 1 0 341.543 3.852 50 0 EHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000004983227 563517320 /nfs/dbraw/zinc/51/73/20/563517320.db2.gz JNNOZAJRQJFDJQ-UHFFFAOYSA-N 1 0 345.446 3.844 50 0 EHAARO COc1ccc(OC)c(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000043637228 563625161 /nfs/dbraw/zinc/62/51/61/563625161.db2.gz PCSGTUMOGUKIOM-UHFFFAOYSA-N 1 0 341.386 3.523 50 0 EHAARO CC(C)=CCSc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071921771 563627222 /nfs/dbraw/zinc/62/72/22/563627222.db2.gz JJGZJIYABRFPKP-INIZCTEOSA-N 1 0 344.524 3.959 50 0 EHAARO CCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCC(C)CC1)n2C ZINC000008625010 563633573 /nfs/dbraw/zinc/63/35/73/563633573.db2.gz YFJJJDIUZFLDGR-UHFFFAOYSA-N 1 0 342.487 3.586 50 0 EHAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(C)cc1 ZINC000013540617 563700849 /nfs/dbraw/zinc/70/08/49/563700849.db2.gz SXAYOOJEVALNGH-GOSISDBHSA-N 1 0 333.391 3.785 50 0 EHAARO O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)c1ccccc1Cl ZINC000013786694 563723274 /nfs/dbraw/zinc/72/32/74/563723274.db2.gz HKIXXGDEMDMYRU-UHFFFAOYSA-N 1 0 337.830 3.925 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1ccc(F)cc1 ZINC000014949525 563767689 /nfs/dbraw/zinc/76/76/89/563767689.db2.gz TVHQRVHWIWEYBU-FQEVSTJZSA-N 1 0 340.442 3.653 50 0 EHAARO COCc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)o1 ZINC000015066156 563775091 /nfs/dbraw/zinc/77/50/91/563775091.db2.gz PHNSJTATBQDPIV-AWEZNQCLSA-N 1 0 336.382 3.781 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc2c1OCO2 ZINC000015066076 563775231 /nfs/dbraw/zinc/77/52/31/563775231.db2.gz PNSJLVVZLLBBET-QGZVFWFLSA-N 1 0 340.423 3.500 50 0 EHAARO CCCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000015831642 563793359 /nfs/dbraw/zinc/79/33/59/563793359.db2.gz OCKQMTWWFWAOAJ-SFHVURJKSA-N 1 0 342.439 3.635 50 0 EHAARO COc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000015831544 563793392 /nfs/dbraw/zinc/79/33/92/563793392.db2.gz JFAVOKUBCREHTB-SFHVURJKSA-N 1 0 344.499 3.956 50 0 EHAARO O=C(c1ccccc1F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017071558 563834629 /nfs/dbraw/zinc/83/46/29/563834629.db2.gz AFTHWYIDLBNSDI-UHFFFAOYSA-N 1 0 342.458 3.552 50 0 EHAARO CCC(CC)[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020254784 563859129 /nfs/dbraw/zinc/85/91/29/563859129.db2.gz IYJLFYFYLBCFHJ-HXUWFJFHSA-N 1 0 333.495 3.601 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000043182775 563859752 /nfs/dbraw/zinc/85/97/52/563859752.db2.gz KXKUPVFOCRDBPL-AWEZNQCLSA-N 1 0 337.895 3.821 50 0 EHAARO Cc1ccc(CNC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000072001814 563860005 /nfs/dbraw/zinc/86/00/05/563860005.db2.gz HOTYGZRLINAZJE-IBGZPJMESA-N 1 0 343.446 3.545 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 ZINC000043268990 563861340 /nfs/dbraw/zinc/86/13/40/563861340.db2.gz LNESCTMHMZGEIY-ZDUSSCGKSA-N 1 0 341.839 3.965 50 0 EHAARO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000070036400 563903236 /nfs/dbraw/zinc/90/32/36/563903236.db2.gz GAMITSXCTYRIEH-QGZVFWFLSA-N 1 0 338.451 3.533 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1Cl ZINC000029838537 563908670 /nfs/dbraw/zinc/90/86/70/563908670.db2.gz SLCARSWUHJGIKT-UHFFFAOYSA-N 1 0 328.843 3.518 50 0 EHAARO Cc1c(C[NH2+]CC(C)(C)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000030905994 563911656 /nfs/dbraw/zinc/91/16/56/563911656.db2.gz FAKCPGSLLJMZSW-UHFFFAOYSA-N 1 0 349.478 3.552 50 0 EHAARO C[N@@H+]1CCCC[C@H]1CCn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000032590384 563913977 /nfs/dbraw/zinc/91/39/77/563913977.db2.gz ZZRCAQFRSBSYLJ-LBPRGKRZSA-N 1 0 340.254 3.578 50 0 EHAARO COc1ccc(C(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000036386776 563920276 /nfs/dbraw/zinc/92/02/76/563920276.db2.gz BJLIVVSDLXNEDM-ROUUACIJSA-N 1 0 329.827 3.877 50 0 EHAARO COc1ccccc1OCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000051379568 563931764 /nfs/dbraw/zinc/93/17/64/563931764.db2.gz DFKKTIMLHAWQBQ-UHFFFAOYSA-N 1 0 339.435 3.669 50 0 EHAARO Cc1nc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)s1 ZINC000269866611 563932640 /nfs/dbraw/zinc/93/26/40/563932640.db2.gz SSDJXCHSFBUJOK-RDJZCZTQSA-N 1 0 341.480 3.516 50 0 EHAARO COc1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000058164900 563938634 /nfs/dbraw/zinc/93/86/34/563938634.db2.gz RVLFPHAHJRLWTH-LLVKDONJSA-N 1 0 336.794 3.605 50 0 EHAARO COc1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1F ZINC000058169403 563938849 /nfs/dbraw/zinc/93/88/49/563938849.db2.gz COYGCSCFOMRZDN-UHFFFAOYSA-N 1 0 349.450 3.610 50 0 EHAARO CCC[NH+](CCC)CCCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000058423905 563945949 /nfs/dbraw/zinc/94/59/49/563945949.db2.gz BMWJNJBIRUOMDC-UHFFFAOYSA-N 1 0 345.487 3.654 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccco2)[C@@H]1c1cccs1 ZINC000096423090 563951785 /nfs/dbraw/zinc/95/17/85/563951785.db2.gz OLGQEWYLKUJKMS-UTCUSRJNSA-N 1 0 330.453 3.554 50 0 EHAARO OCC1CC[NH+](Cc2cccc(NCc3ccc(Cl)o3)c2)CC1 ZINC000096461409 563954043 /nfs/dbraw/zinc/95/40/43/563954043.db2.gz FWEUXNDZHZWGQS-UHFFFAOYSA-N 1 0 334.847 3.749 50 0 EHAARO CCc1c(C)nn(C)c1NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000065398271 563959835 /nfs/dbraw/zinc/95/98/35/563959835.db2.gz DDATWBMBZBXOBW-UHFFFAOYSA-N 1 0 342.487 3.774 50 0 EHAARO CC(C)([NH3+])C(=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071745991 563964964 /nfs/dbraw/zinc/96/49/64/563964964.db2.gz HUDLDTOZECRFIK-CYBMUJFWSA-N 1 0 342.405 3.614 50 0 EHAARO CC[N@@H+]1CCC[C@H](c2nccn2Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000071750870 563965102 /nfs/dbraw/zinc/96/51/02/563965102.db2.gz KPSMQJYUTNMHPF-ZDUSSCGKSA-N 1 0 343.862 3.660 50 0 EHAARO COc1ccc2cc([C@H]3C[N@H+](CCCCCCO)CCO3)ccc2c1 ZINC000071752484 563965202 /nfs/dbraw/zinc/96/52/02/563965202.db2.gz BWSGUMRVGRVVNC-OAQYLSRUSA-N 1 0 343.467 3.774 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c(C)n1 ZINC000097016624 563966708 /nfs/dbraw/zinc/96/67/08/563966708.db2.gz GSFDYLDSQXRVAM-DOMZBBRYSA-N 1 0 346.425 3.549 50 0 EHAARO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cn2cccnc2n1)c1ccc(Cl)cc1 ZINC000097034245 563966918 /nfs/dbraw/zinc/96/69/18/563966918.db2.gz JVHXYBBXHNRBJZ-CSMYWGQOSA-N 1 0 326.831 3.870 50 0 EHAARO Cc1cccc(C2CC([NH2+]C3CCN(C(=O)c4ccncc4)CC3)C2)c1 ZINC000097108526 563967955 /nfs/dbraw/zinc/96/79/55/563967955.db2.gz VRQJWPUOKXVCMB-UHFFFAOYSA-N 1 0 349.478 3.530 50 0 EHAARO COc1ccc(F)c(F)c1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077286256 563968706 /nfs/dbraw/zinc/96/87/06/563968706.db2.gz XPJQACOSLPTYSJ-OAHLLOKOSA-N 1 0 338.442 3.814 50 0 EHAARO Cc1ccc([C@@H]2CN(C(=O)c3sccc3Cl)C[C@H]2[NH+](C)C)cc1 ZINC000077321136 563968947 /nfs/dbraw/zinc/96/89/47/563968947.db2.gz FIKKLAMKESNJBW-GOEBONIOSA-N 1 0 348.899 3.880 50 0 EHAARO Cc1cccc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n1 ZINC000077357946 563969180 /nfs/dbraw/zinc/96/91/80/563969180.db2.gz PKBDGHDDKUXIPD-FQEVSTJZSA-N 1 0 337.467 3.819 50 0 EHAARO Cc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)s1 ZINC000077408180 563969505 /nfs/dbraw/zinc/96/95/05/563969505.db2.gz ZNVSWLHVTDENBE-QGZVFWFLSA-N 1 0 343.496 3.881 50 0 EHAARO c1coc(-c2ncc(CN3CCCC[C@@H]3CC[NH+]3CCCC3)cn2)c1 ZINC000077469895 563969810 /nfs/dbraw/zinc/96/98/10/563969810.db2.gz HYENRSXGGOXDDL-GOSISDBHSA-N 1 0 340.471 3.577 50 0 EHAARO CCSCCC(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077458732 563969843 /nfs/dbraw/zinc/96/98/43/563969843.db2.gz PRKHEFIIOPHTEQ-SFHVURJKSA-N 1 0 334.529 3.945 50 0 EHAARO CC(C)C[C@@H](O)C1CCN(Cc2c[nH]c(CC3CCCC3)n2)CC1 ZINC000077505298 563970044 /nfs/dbraw/zinc/97/00/44/563970044.db2.gz QQCOYFJJSUDGRG-LJQANCHMSA-N 1 0 333.520 3.761 50 0 EHAARO C[NH+](C)[C@H]1CCCCN(Cc2cccc(OCc3ccccn3)c2)C1 ZINC000082114500 563972401 /nfs/dbraw/zinc/97/24/01/563972401.db2.gz UMBKHQQHTVWPOY-FQEVSTJZSA-N 1 0 339.483 3.577 50 0 EHAARO Cc1cc(C)cc(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c1 ZINC000082119920 563972442 /nfs/dbraw/zinc/97/24/42/563972442.db2.gz UCCRSBJPHYIYIZ-UHFFFAOYSA-N 1 0 335.451 3.702 50 0 EHAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc(C)o3)cc2)C[C@H]1C ZINC000091643607 563975577 /nfs/dbraw/zinc/97/55/77/563975577.db2.gz RIBRMDKJLOSZKN-IIBYNOLFSA-N 1 0 343.467 3.864 50 0 EHAARO Cc1csc(C(C)(C)[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000072662961 563976138 /nfs/dbraw/zinc/97/61/38/563976138.db2.gz LIQALFBGPBFMPH-CYBMUJFWSA-N 1 0 339.505 3.533 50 0 EHAARO Clc1cccc(COc2ccccc2-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000097173274 563981380 /nfs/dbraw/zinc/98/13/80/563981380.db2.gz VGYYFYDZQXIWIF-UHFFFAOYSA-N 1 0 339.826 3.955 50 0 EHAARO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000060842733 563981629 /nfs/dbraw/zinc/98/16/29/563981629.db2.gz CJDIMZPSNQATLE-HNNXBMFYSA-N 1 0 345.874 3.835 50 0 EHAARO CS[C@@H]1CCCCCCCC[C@@H]2COC[C@@H]2[C@H]1[NH+]1CCOCC1 ZINC000247808143 563981796 /nfs/dbraw/zinc/98/17/96/563981796.db2.gz BAGWWHWHYXXQCV-FCGDIQPGSA-N 1 0 341.561 3.816 50 0 biogenic EHAARO C[NH+]1CCN(c2nc(-c3cccc(Cl)c3)nc3ccccc32)CC1 ZINC000000149826 563987374 /nfs/dbraw/zinc/98/73/74/563987374.db2.gz BNVQHPGDANQULX-UHFFFAOYSA-N 1 0 338.842 3.702 50 0 EHAARO COc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1F ZINC000237344199 563991882 /nfs/dbraw/zinc/99/18/82/563991882.db2.gz ZAMWBGADFXARAN-UHFFFAOYSA-N 1 0 333.378 3.769 50 0 EHAARO C[C@@]1(O)CC[N@H+](C[C@@H]2CCCO[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000408524659 563993257 /nfs/dbraw/zinc/99/32/57/563993257.db2.gz XDRMUIFAYDSHSY-BHYGNILZSA-N 1 0 343.389 3.630 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000248154534 563995362 /nfs/dbraw/zinc/99/53/62/563995362.db2.gz VEZHBPAPBRQEEP-WBMJQRKESA-N 1 0 349.887 3.609 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4ccnc(C)n4)C3)C2)c1 ZINC000426503335 563996195 /nfs/dbraw/zinc/99/61/95/563996195.db2.gz PDFDUKKIKGPNIN-NRFANRHFSA-N 1 0 336.483 3.586 50 0 EHAARO COc1ccc2[nH]cc(C3CC[NH+](Cc4cc(C)no4)CC3)c2c1 ZINC000066436617 563999445 /nfs/dbraw/zinc/99/94/45/563999445.db2.gz HVLSZDKHGUAJMV-UHFFFAOYSA-N 1 0 325.412 3.853 50 0 EHAARO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1 ZINC000155793801 564008338 /nfs/dbraw/zinc/00/83/38/564008338.db2.gz TXWMFEWPNHRFCQ-MRXNPFEDSA-N 1 0 343.471 3.732 50 0 EHAARO C[N@H+](Cc1ccccc1NC(=O)c1cnsn1)C1CCCCC1 ZINC000047414650 564026290 /nfs/dbraw/zinc/02/62/90/564026290.db2.gz ZJTZCYYBRUMYFL-UHFFFAOYSA-N 1 0 330.457 3.555 50 0 EHAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@H](C)CCc2ccccc2)cn1 ZINC000107322528 564026845 /nfs/dbraw/zinc/02/68/45/564026845.db2.gz VJWFWOBUIZBDLG-YVWKXTFCSA-N 1 0 327.472 3.592 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000048236188 564030156 /nfs/dbraw/zinc/03/01/56/564030156.db2.gz SKLYDYKIXSWZMJ-HUUCEWRRSA-N 1 0 344.430 3.793 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccoc3)cc2)C1 ZINC000048310010 564030739 /nfs/dbraw/zinc/03/07/39/564030739.db2.gz NIJUDZNVQNDFLN-HZPDHXFCSA-N 1 0 326.440 3.688 50 0 EHAARO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CCC(O)CC1 ZINC000048686515 564032068 /nfs/dbraw/zinc/03/20/68/564032068.db2.gz MPNXOEQNDOKSSF-UHFFFAOYSA-N 1 0 333.863 3.536 50 0 EHAARO CC[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1OCC(=O)NC ZINC000048749804 564032187 /nfs/dbraw/zinc/03/21/87/564032187.db2.gz IRVGYLVTJUXZIH-QGZVFWFLSA-N 1 0 346.858 3.706 50 0 EHAARO O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000222623894 564037210 /nfs/dbraw/zinc/03/72/10/564037210.db2.gz AELXFAMUNVRGEO-UHFFFAOYSA-N 1 0 338.426 3.708 50 0 EHAARO Cc1c(C[N@H+](C)CCC(=O)NCc2cccs2)[nH]c2ccccc12 ZINC000252497604 564053522 /nfs/dbraw/zinc/05/35/22/564053522.db2.gz QKRNPQNEVIHRSP-UHFFFAOYSA-N 1 0 341.480 3.676 50 0 EHAARO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000058703594 564057769 /nfs/dbraw/zinc/05/77/69/564057769.db2.gz IPHXNDPJSAEZNK-UHFFFAOYSA-N 1 0 336.479 3.870 50 0 EHAARO COc1cccc(-c2ccc(OCC[NH+]3CCCC3)cc2)c1OC ZINC000534659647 564061477 /nfs/dbraw/zinc/06/14/77/564061477.db2.gz XOVCTKYWQFYBFR-UHFFFAOYSA-N 1 0 327.424 3.845 50 0 EHAARO CC[C@@H](CNC(=O)N1CCC(Sc2cccc(C)c2)CC1)[NH+](C)C ZINC000534649844 564061522 /nfs/dbraw/zinc/06/15/22/564061522.db2.gz MOAKBJONYYXUPM-INIZCTEOSA-N 1 0 349.544 3.601 50 0 EHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(F)cc(F)c1 ZINC000012730029 564063920 /nfs/dbraw/zinc/06/39/20/564063920.db2.gz XPZGJFWOMRAADO-UHFFFAOYSA-N 1 0 348.393 3.938 50 0 EHAARO Cc1nnc2n1C[C@@H](C[NH2+]Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000084296939 564067703 /nfs/dbraw/zinc/06/77/03/564067703.db2.gz BEGYKHZAWZFVPS-GOSISDBHSA-N 1 0 348.450 3.731 50 0 EHAARO O[C@H](C[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1)c1ccccc1Cl ZINC000084501587 564068294 /nfs/dbraw/zinc/06/82/94/564068294.db2.gz JUKXMLWUCHXNJI-XJKSGUPXSA-N 1 0 347.846 3.513 50 0 EHAARO O=C(OC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000084535872 564068525 /nfs/dbraw/zinc/06/85/25/564068525.db2.gz DIRBELBKSCRXAG-HNNXBMFYSA-N 1 0 331.362 3.644 50 0 EHAARO O=C(Cc1ccc(Cl)cc1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000012906048 564077819 /nfs/dbraw/zinc/07/78/19/564077819.db2.gz YLIOMKRCICWDSR-LJQANCHMSA-N 1 0 342.870 3.836 50 0 EHAARO COC(=O)C(C)(C)C(C)(C)[NH2+]Cc1csc(Br)c1 ZINC000075108069 564080220 /nfs/dbraw/zinc/08/02/20/564080220.db2.gz QVVOPIPBHWOQBR-UHFFFAOYSA-N 1 0 334.279 3.578 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000006246598 564083219 /nfs/dbraw/zinc/08/32/19/564083219.db2.gz NWSVPYWBKZKYPS-GFCCVEGCSA-N 1 0 345.484 3.772 50 0 EHAARO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000221818120 564084269 /nfs/dbraw/zinc/08/42/69/564084269.db2.gz SJPPVDJSRIFZNX-HUUCEWRRSA-N 1 0 337.427 3.709 50 0 EHAARO C[C@@H](NCc1nc(C2CC2)cs1)c1cccc(N2CCOC2=O)c1 ZINC000090460645 564084479 /nfs/dbraw/zinc/08/44/79/564084479.db2.gz IMNMGVAJGUXVNI-GFCCVEGCSA-N 1 0 343.452 3.828 50 0 EHAARO C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000090667443 564085815 /nfs/dbraw/zinc/08/58/15/564085815.db2.gz RAXBHTJREDDUTB-YJBOKZPZSA-N 1 0 331.504 3.543 50 0 EHAARO CN(C)c1ccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000239637052 564088199 /nfs/dbraw/zinc/08/81/99/564088199.db2.gz BIOFVXQBHPEJCN-ACDBMABISA-N 1 0 336.483 3.755 50 0 EHAARO CC(C)c1noc(CN[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000192077256 564090002 /nfs/dbraw/zinc/09/00/02/564090002.db2.gz HPGPYDITURIIHT-ZFWWWQNUSA-N 1 0 339.798 3.605 50 0 EHAARO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1nnc2ccccn21 ZINC000089511445 564091237 /nfs/dbraw/zinc/09/12/37/564091237.db2.gz JFNXDOGXBHOGOL-BQFCYCMXSA-N 1 0 336.439 3.548 50 0 EHAARO CC(C)(C[NH+]1CCCCC1)NC(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000426474241 564093827 /nfs/dbraw/zinc/09/38/27/564093827.db2.gz KHGTWYHLNQMGQW-QGZVFWFLSA-N 1 0 333.451 3.547 50 0 EHAARO [NH3+][C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)cc2)C1 ZINC000426628156 564094275 /nfs/dbraw/zinc/09/42/75/564094275.db2.gz FUWBPSAWPAGMFW-CABCVRRESA-N 1 0 332.806 3.756 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2o1 ZINC000064968359 564098720 /nfs/dbraw/zinc/09/87/20/564098720.db2.gz ANRLZNUVSAYXJE-UHFFFAOYSA-N 1 0 343.471 3.947 50 0 EHAARO Fc1ccc2c(c1)[C@@H]([NH2+]CC1CCC3(CC1)OCCO3)CCS2 ZINC000170091543 564105471 /nfs/dbraw/zinc/10/54/71/564105471.db2.gz TTWMMBVXFNJYCB-INIZCTEOSA-N 1 0 337.460 3.886 50 0 EHAARO CC(C)(C)n1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cn1 ZINC000065476317 564106302 /nfs/dbraw/zinc/10/63/02/564106302.db2.gz MXZBCYRSKFNNKP-LJQANCHMSA-N 1 0 341.455 3.650 50 0 EHAARO CCc1noc(C2CCC([NH2+]Cc3ccc4ncccc4c3)CC2)n1 ZINC000192975579 564111691 /nfs/dbraw/zinc/11/16/91/564111691.db2.gz QBFDFVSBRNEVDS-UHFFFAOYSA-N 1 0 336.439 3.996 50 0 EHAARO CC(C)N(CC[NH+](C)C)C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000089869563 564114605 /nfs/dbraw/zinc/11/46/05/564114605.db2.gz QFHASRKKRALPAP-GFCCVEGCSA-N 1 0 347.286 3.559 50 0 EHAARO C[N@H+](Cc1cc(F)cc(Br)c1)C1CCC(CO)CC1 ZINC000089924665 564115305 /nfs/dbraw/zinc/11/53/05/564115305.db2.gz UTDHIHBRPVOQIT-UHFFFAOYSA-N 1 0 330.241 3.571 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cnc(C(C)(C)C)s2)[C@H](CC)C1 ZINC000089949113 564115809 /nfs/dbraw/zinc/11/58/09/564115809.db2.gz LZHRHTVKLWXKEF-HIFRSBDPSA-N 1 0 337.533 3.567 50 0 EHAARO CCCc1ncc(CNc2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000089960535 564115858 /nfs/dbraw/zinc/11/58/58/564115858.db2.gz QMIHLIMLISBPCP-UHFFFAOYSA-N 1 0 348.491 3.599 50 0 EHAARO O=C(Nc1cccc(C[NH2+][C@@H](Cc2ccccn2)C2CC2)c1)C1CCC1 ZINC000122526903 564116605 /nfs/dbraw/zinc/11/66/05/564116605.db2.gz QEBNNTBAEZMDNX-NRFANRHFSA-N 1 0 349.478 3.931 50 0 EHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000237418918 564117733 /nfs/dbraw/zinc/11/77/33/564117733.db2.gz NMBFNKMPISMARW-TZMCWYRMSA-N 1 0 346.377 3.709 50 0 EHAARO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000252452614 564118561 /nfs/dbraw/zinc/11/85/61/564118561.db2.gz REZYYXDTEFBQPW-MJGOQNOKSA-N 1 0 345.464 3.528 50 0 EHAARO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252511210 564120110 /nfs/dbraw/zinc/12/01/10/564120110.db2.gz DZWFLHIDKSFIKW-AHRSYUTCSA-N 1 0 341.499 3.624 50 0 EHAARO C[C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000252536176 564120541 /nfs/dbraw/zinc/12/05/41/564120541.db2.gz HTUGCFWMWWSOBB-SKWUIDRYSA-N 1 0 332.463 3.604 50 0 EHAARO CCn1c2ccc(F)cc2c2nnc(SCC[NH+](CC)CC)nc21 ZINC000002231374 564124885 /nfs/dbraw/zinc/12/48/85/564124885.db2.gz ZPARHFBKHYMQHF-UHFFFAOYSA-N 1 0 347.463 3.572 50 0 aggregator EHAARO COc1ccc(CCNC(=[NH2+])NCCCSc2ccccc2)cc1 ZINC000066242601 564133819 /nfs/dbraw/zinc/13/38/19/564133819.db2.gz VWUBJMGCRHVWMZ-UHFFFAOYSA-N 1 0 343.496 3.534 50 0 EHAARO Cc1c2cc(F)ccc2oc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000007941595 564135317 /nfs/dbraw/zinc/13/53/17/564135317.db2.gz JYEUPGAPVRXFDL-UHFFFAOYSA-N 1 0 340.398 3.872 50 0 EHAARO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)cc1Cl ZINC000390833273 564138794 /nfs/dbraw/zinc/13/87/94/564138794.db2.gz FLESBVAIQRJOMB-NSHDSACASA-N 1 0 346.805 3.654 50 0 EHAARO Cc1cc(NC(=O)CC[NH2+][C@H]2c3ccccc3CCC2(C)C)no1 ZINC000095462672 564140846 /nfs/dbraw/zinc/14/08/46/564140846.db2.gz KNQZLMALTGTKGD-SFHVURJKSA-N 1 0 327.428 3.615 50 0 EHAARO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000095960100 564142704 /nfs/dbraw/zinc/14/27/04/564142704.db2.gz QPNBCVZTVXMEIK-CQSZACIVSA-N 1 0 341.842 3.743 50 0 EHAARO CC[C@H]([NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1)c1ccncc1 ZINC000095968439 564143212 /nfs/dbraw/zinc/14/32/12/564143212.db2.gz ZLNRPPRKVFZPIK-KSSFIOAISA-N 1 0 347.484 3.645 50 0 EHAARO C[C@H]([NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1)c1cnn(C)c1 ZINC000095969190 564143371 /nfs/dbraw/zinc/14/33/71/564143371.db2.gz NOQWNLAMRXCXLZ-AWEZNQCLSA-N 1 0 344.459 3.660 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000095971523 564143406 /nfs/dbraw/zinc/14/34/06/564143406.db2.gz DUEXNAPTRLTRLA-CABCVRRESA-N 1 0 330.378 3.817 50 0 EHAARO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000095984954 564143888 /nfs/dbraw/zinc/14/38/88/564143888.db2.gz HPSSAYKOTDTQJO-GOSISDBHSA-N 1 0 346.862 3.749 50 0 EHAARO Cn1cnnc1-c1cccc(NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000095990907 564144121 /nfs/dbraw/zinc/14/41/21/564144121.db2.gz CAIAGFFNAJOZJQ-UHFFFAOYSA-N 1 0 339.487 3.691 50 0 EHAARO CC[NH+](CC)CCOC(=O)COC(c1ccccc1)c1ccccc1 ZINC000096026571 564144956 /nfs/dbraw/zinc/14/49/56/564144956.db2.gz FMUPVYOVZZUQIS-UHFFFAOYSA-N 1 0 341.451 3.678 50 0 EHAARO C[C@@H]([NH2+]CC(C)(C)CC1CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000096479394 564148564 /nfs/dbraw/zinc/14/85/64/564148564.db2.gz CLQQOUIGXYXFAG-CMJOXMDJSA-N 1 0 337.529 3.918 50 0 EHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3[nH]c2=O)cc1 ZINC000097201209 564149548 /nfs/dbraw/zinc/14/95/48/564149548.db2.gz IWRNNMDTFZFPGC-FQEVSTJZSA-N 1 0 349.434 3.659 50 0 EHAARO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000097238358 564149623 /nfs/dbraw/zinc/14/96/23/564149623.db2.gz QONNYCNODVPBRE-GFCCVEGCSA-N 1 0 346.441 3.586 50 0 EHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCc3cc(F)ccc32)o1 ZINC000056996384 564153185 /nfs/dbraw/zinc/15/31/85/564153185.db2.gz RULIOZRJCFKYHY-QGZVFWFLSA-N 1 0 330.403 3.678 50 0 EHAARO Cc1nc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cs1 ZINC000058004895 564157112 /nfs/dbraw/zinc/15/71/12/564157112.db2.gz PBGWZPCHIGZYQX-UHFFFAOYSA-N 1 0 343.496 3.613 50 0 EHAARO Cc1ccc2ncccc2c1CNC(=O)[C@H](C)n1ccnc1C(C)C ZINC000670447803 564159102 /nfs/dbraw/zinc/15/91/02/564159102.db2.gz YGBYKUMXKRYCHJ-HNNXBMFYSA-N 1 0 336.439 3.741 50 0 EHAARO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000008324178 564164413 /nfs/dbraw/zinc/16/44/13/564164413.db2.gz SARCAMPDRUKEBY-LBPRGKRZSA-N 1 0 330.350 3.644 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000008394281 564165070 /nfs/dbraw/zinc/16/50/70/564165070.db2.gz WAUVNKJYZMPVJR-OLZOCXBDSA-N 1 0 332.271 3.998 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc2ccccc21 ZINC000008520518 564165577 /nfs/dbraw/zinc/16/55/77/564165577.db2.gz SFINGKFYGMSNJP-LJQANCHMSA-N 1 0 334.419 4.000 50 0 EHAARO C[C@H](CC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000069420267 564169406 /nfs/dbraw/zinc/16/94/06/564169406.db2.gz AVUQYNYJHQLGGY-QGZVFWFLSA-N 1 0 343.515 3.769 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1ccccc1F ZINC000069460703 564169714 /nfs/dbraw/zinc/16/97/14/564169714.db2.gz BWQFVRVZCJZIKD-KXBFYZLASA-N 1 0 339.414 3.974 50 0 EHAARO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000069519692 564170114 /nfs/dbraw/zinc/17/01/14/564170114.db2.gz CZUIOFVRUUDSMV-OAHLLOKOSA-N 1 0 345.468 3.871 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2ccc(F)cc2)CC1 ZINC000069581065 564170651 /nfs/dbraw/zinc/17/06/51/564170651.db2.gz YTIUMGJTAIIVAS-UHFFFAOYSA-N 1 0 341.430 3.513 50 0 EHAARO COc1ccc2c(C[N@@H+]3CC[C@@H](c4ccccc4)C3)cc(=O)oc2c1 ZINC000069664554 564171374 /nfs/dbraw/zinc/17/13/74/564171374.db2.gz RDNKQTPUSZYVAS-MRXNPFEDSA-N 1 0 335.403 3.791 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000069845341 564172462 /nfs/dbraw/zinc/17/24/62/564172462.db2.gz JXQBLDVQTDKJNI-HZPDHXFCSA-N 1 0 342.405 3.733 50 0 EHAARO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000070005069 564173216 /nfs/dbraw/zinc/17/32/16/564173216.db2.gz PQULVTUUGPQOAT-QGZVFWFLSA-N 1 0 340.402 3.650 50 0 EHAARO NC(=O)COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000071837054 564175812 /nfs/dbraw/zinc/17/58/12/564175812.db2.gz TUHNZOCSZDTJBC-UHFFFAOYSA-N 1 0 346.430 3.508 50 0 EHAARO O=C(c1ccco1)N1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000071841968 564175881 /nfs/dbraw/zinc/17/58/81/564175881.db2.gz WLTBDSUZAQGFNA-LJQANCHMSA-N 1 0 338.451 3.796 50 0 EHAARO CCn1nc(C)c(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c1C ZINC000020600277 1018188981 /nfs/dbraw/zinc/18/89/81/1018188981.db2.gz FYGPEHNOOPSZPG-FQEVSTJZSA-N 1 0 340.515 3.616 50 0 EHAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]C/C(C)=C\c2ccccc2)cn1 ZINC000229909918 1024205887 /nfs/dbraw/zinc/20/58/87/1024205887.db2.gz RCXIICJEUSNGQJ-WDGIYXAVSA-N 1 0 325.456 3.674 50 0 EHAARO COc1ccccc1-c1nc(C[N@H+](C)C[C@@H]2CCCOC2)cs1 ZINC000158040285 1033358425 /nfs/dbraw/zinc/35/84/25/1033358425.db2.gz XHEMWRXISZCPJC-AWEZNQCLSA-N 1 0 332.469 3.677 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(/C)c2ccccc2C(F)(F)F)C1 ZINC000158983626 1034010394 /nfs/dbraw/zinc/01/03/94/1034010394.db2.gz VNXOHRHSOMRESC-QLKUMGTLSA-N 1 0 340.389 3.567 50 0 EHAARO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)CCC2 ZINC000342314973 1035857896 /nfs/dbraw/zinc/85/78/96/1035857896.db2.gz OWICGAORPOOFSZ-NRFANRHFSA-N 1 0 336.479 3.999 50 0 EHAARO CC(C)CNC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257193849 1038543226 /nfs/dbraw/zinc/54/32/26/1038543226.db2.gz ZXMQUNCEHMNGEE-LJQANCHMSA-N 1 0 343.515 3.900 50 0 EHAARO COc1ccccc1[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cnc2cnccn12 ZINC000348818276 1040073262 /nfs/dbraw/zinc/07/32/62/1040073262.db2.gz RXXQHYACUMLYMY-MAUKXSAKSA-N 1 0 336.439 3.711 50 0 EHAARO C[NH2+]CC1CCN(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)CC1 ZINC000269149358 1128740739 /nfs/dbraw/zinc/74/07/39/1128740739.db2.gz MRUBCDOFWVBZOT-ACCUITESSA-N 1 0 340.389 3.567 50 0 EHAARO C[C@@H](c1ccco1)N1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011784070 1128983739 /nfs/dbraw/zinc/98/37/39/1128983739.db2.gz QZPHZCTYLSLPIU-YOEHRIQHSA-N 1 0 330.403 3.651 50 0 EHAARO Cc1nc2ccc(NC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)cc2o1 ZINC000174812385 1121603684 /nfs/dbraw/zinc/60/36/84/1121603684.db2.gz ULVBSFKNMLDDEY-INIZCTEOSA-N 1 0 342.443 3.522 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1O ZINC000012054932 1129309121 /nfs/dbraw/zinc/30/91/21/1129309121.db2.gz UIYZETAYHWXNDJ-OAHLLOKOSA-N 1 0 348.393 3.756 50 0 EHAARO COc1cccc(C[N@@H+]2CC[C@@H](Cc3ncc(C)n3C(C)C)C2)c1 ZINC000575547322 1131572016 /nfs/dbraw/zinc/57/20/16/1131572016.db2.gz ZCPVZVRADOKPCA-SFHVURJKSA-N 1 0 327.472 3.846 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)Cc2cccs2)CC1 ZINC000581787809 1132356478 /nfs/dbraw/zinc/35/64/78/1132356478.db2.gz CXEBUQCWJDWYRI-QGZVFWFLSA-N 1 0 334.529 3.794 50 0 EHAARO CNC(=O)c1cc[nH]c1[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000581800958 1132361611 /nfs/dbraw/zinc/36/16/11/1132361611.db2.gz QLMUJPOEQAYHIR-CYBMUJFWSA-N 1 0 349.837 3.546 50 0 EHAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)CC1CCCC1)CCO2 ZINC000581819940 1132375992 /nfs/dbraw/zinc/37/59/92/1132375992.db2.gz DOPJJCACNIFQPO-UHFFFAOYSA-N 1 0 344.499 3.830 50 0 EHAARO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585083678 1136970101 /nfs/dbraw/zinc/97/01/01/1136970101.db2.gz FTIAGAFMTHTCCU-MRXNPFEDSA-N 1 0 325.387 3.530 50 0 EHAARO COc1ccc([C@H]2OCC[C@@H]2[NH2+][C@H](C)c2ccc(F)cc2F)cn1 ZINC000585090425 1136994572 /nfs/dbraw/zinc/99/45/72/1136994572.db2.gz MQSJOTLTZLKYTP-DPZKZMLUSA-N 1 0 334.366 3.549 50 0 EHAARO O=C(c1ccc[nH]1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000585126622 1137017148 /nfs/dbraw/zinc/01/71/48/1137017148.db2.gz DKQKDVIBBQCFBP-UHFFFAOYSA-N 1 0 337.467 3.533 50 0 EHAARO O[C@@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CCC1 ZINC000585133491 1137021644 /nfs/dbraw/zinc/02/16/44/1137021644.db2.gz JOYLYALKXNJCEU-QGZVFWFLSA-N 1 0 327.428 3.556 50 0 EHAARO Cn1cc(C2CCN(Cc3nccc(Cl)c3Cl)CC2)cn1 ZINC000952883101 1137483519 /nfs/dbraw/zinc/48/35/19/1137483519.db2.gz WRXBAKYXSYBRPZ-UHFFFAOYSA-N 1 0 325.243 3.502 50 0 EHAARO CC[C@H](C)Oc1ccccc1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000952965621 1137483957 /nfs/dbraw/zinc/48/39/57/1137483957.db2.gz FEFGIPYPMYWISR-KRWDZBQOSA-N 1 0 344.499 3.889 50 0 EHAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2cccc(C(F)(F)F)c2)n1 ZINC000952969306 1137484010 /nfs/dbraw/zinc/48/40/10/1137484010.db2.gz ATQBESNMCRWTHO-ZDUSSCGKSA-N 1 0 325.378 3.740 50 0 EHAARO NC(=O)[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000952970979 1137484195 /nfs/dbraw/zinc/48/41/95/1137484195.db2.gz UJOFOQVSVHKUGZ-HZPDHXFCSA-N 1 0 330.815 3.510 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc(Br)ccn1 ZINC000952992737 1137485109 /nfs/dbraw/zinc/48/51/09/1137485109.db2.gz AAHGRGAWAOFPEH-LBPRGKRZSA-N 1 0 334.261 3.761 50 0 EHAARO FC(F)(F)c1c[nH]c([C@H]2CCC[N@H+](C[C@]34CCC[C@H]3OCC4)C2)n1 ZINC000952992854 1137485115 /nfs/dbraw/zinc/48/51/15/1137485115.db2.gz DWBYBMIRYDMRRV-JGGQBBKZSA-N 1 0 343.393 3.567 50 0 EHAARO COc1ccc(C[N@H+](Cc2c(C)nn(C)c2C)C2CC2)cc1Cl ZINC000952987738 1137485478 /nfs/dbraw/zinc/48/54/78/1137485478.db2.gz JGJIGNIOGIAAFE-UHFFFAOYSA-N 1 0 333.863 3.864 50 0 EHAARO Nc1[nH+]c2ccccc2n1CCCOc1ccc(Br)cc1 ZINC000004741777 210265363 /nfs/dbraw/zinc/26/53/63/210265363.db2.gz AWLKMCHZCZQCKC-UHFFFAOYSA-N 1 0 346.228 3.850 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@@H+](C)Cc3cccc4ccccc43)nc12 ZINC000053017158 214160480 /nfs/dbraw/zinc/16/04/80/214160480.db2.gz IUAMVRSTINLLJV-UHFFFAOYSA-N 1 0 343.430 3.788 50 0 EHAARO COc1ccc(C[NH+]2CCC(Cn3ccnc3C)CC2)c(C)c1C ZINC000097679866 219047069 /nfs/dbraw/zinc/04/70/69/219047069.db2.gz OHHJCUAEFYULCF-UHFFFAOYSA-N 1 0 327.472 3.729 50 0 EHAARO Cc1cc(C)c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c(-n2cccn2)c1 ZINC000097743552 219053679 /nfs/dbraw/zinc/05/36/79/219053679.db2.gz PIDGIBIVRQLCNX-SFHVURJKSA-N 1 0 347.466 3.659 50 0 EHAARO C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000055134037 214277527 /nfs/dbraw/zinc/27/75/27/214277527.db2.gz GQLYPSOHKZUYHQ-LBPRGKRZSA-N 1 0 335.386 3.943 50 0 EHAARO C[NH2+]C1CCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000097785095 219056877 /nfs/dbraw/zinc/05/68/77/219056877.db2.gz LZFHQPJIRAXVNG-UHFFFAOYSA-N 1 0 325.412 3.695 50 0 EHAARO CN(C)c1nc(Cl)c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000097819511 219058586 /nfs/dbraw/zinc/05/85/86/219058586.db2.gz UNMFCMPJKDGLHW-LBPRGKRZSA-N 1 0 339.867 3.991 50 0 EHAARO CC1(C)CC(NC(=O)N[C@H]2CCc3c2cccc3Cl)CC(C)(C)[NH2+]1 ZINC000056900282 214393696 /nfs/dbraw/zinc/39/36/96/214393696.db2.gz GGHYQRZNIRSVAB-INIZCTEOSA-N 1 0 349.906 3.936 50 0 EHAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1ccccc1OC ZINC000004679210 210244048 /nfs/dbraw/zinc/24/40/48/210244048.db2.gz VTWVRPFIIVAZND-UHFFFAOYSA-N 1 0 337.423 3.817 50 0 EHAARO CCN(CC)c1ccc2cc(C(=O)NCc3ccccc3)c(=[NH2+])oc2c1 ZINC000004645950 210237083 /nfs/dbraw/zinc/23/70/83/210237083.db2.gz MNFDHIMZDCZTPV-UHFFFAOYSA-N 1 0 349.434 3.688 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2)N3)C1 ZINC000004556157 210220959 /nfs/dbraw/zinc/22/09/59/210220959.db2.gz ZOQNUXFLROJACB-INIZCTEOSA-N 1 0 343.452 3.564 50 0 EHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(O)c2)N3)C1 ZINC000004554099 210220761 /nfs/dbraw/zinc/22/07/61/210220761.db2.gz GXIXPEXRYPYOFK-INIZCTEOSA-N 1 0 343.452 3.649 50 0 EHAARO C[NH+](C)CCN(C(=O)C1CCCCC1)c1nc2ccc(F)cc2s1 ZINC000004359160 210180620 /nfs/dbraw/zinc/18/06/20/210180620.db2.gz DWPFTKLRGLZJPO-UHFFFAOYSA-N 1 0 349.475 3.910 50 0 EHAARO CC1(C)CC(N[S@@](=O)c2ccc3ccccc3c2)CC(C)(C)[NH2+]1 ZINC000004294126 210162323 /nfs/dbraw/zinc/16/23/23/210162323.db2.gz SLXQDWNEMRJNFQ-HSZRJFAPSA-N 1 0 330.497 3.761 50 0 EHAARO Cc1sc2nc(CC[NH3+])nc(N[C@H](C)CCc3ccco3)c2c1C ZINC000065396849 214889443 /nfs/dbraw/zinc/88/94/43/214889443.db2.gz ZLFJSIWHMCUDEO-LLVKDONJSA-N 1 0 344.484 3.836 50 0 EHAARO O=C(Nc1ccc(Cl)cc1Cl)N1CCC([NH+]2CC=CC2)CC1 ZINC000101646303 219150085 /nfs/dbraw/zinc/15/00/85/219150085.db2.gz XIKOYJFFHUKURN-UHFFFAOYSA-N 1 0 340.254 3.862 50 0 EHAARO c1ccc(-c2noc(NCc3ccccc3C[NH+]3CCCC3)n2)cc1 ZINC000065529550 214947251 /nfs/dbraw/zinc/94/72/51/214947251.db2.gz VYHDDQYOVBTPEP-UHFFFAOYSA-N 1 0 334.423 3.945 50 0 EHAARO CC(C)CC[C@@H](CC(=O)NCCC[NH+](C)C)[C@H]1CCOC(C)(C)C1 ZINC000004086837 210116050 /nfs/dbraw/zinc/11/60/50/210116050.db2.gz CPICHSROJFREMV-ROUUACIJSA-N 1 0 340.552 3.702 50 0 biogenic EHAARO C[NH+](C)CCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000003328115 210008569 /nfs/dbraw/zinc/00/85/69/210008569.db2.gz KDRAANJSOLLKJE-UHFFFAOYSA-N 1 0 329.469 3.717 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1O ZINC000067667661 215176431 /nfs/dbraw/zinc/17/64/31/215176431.db2.gz HJXMBPIEJSISOA-UHFFFAOYSA-N 1 0 329.293 3.849 50 0 EHAARO COc1ccc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)cc1C(F)(F)F ZINC000067714529 215192093 /nfs/dbraw/zinc/19/20/93/215192093.db2.gz XCCQFCAXLRADMH-GFCCVEGCSA-N 1 0 341.304 3.782 50 0 EHAARO Cc1ccsc1C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2)C1 ZINC000067692209 215187802 /nfs/dbraw/zinc/18/78/02/215187802.db2.gz ACVQGDUDLDBOMC-HNNXBMFYSA-N 1 0 329.469 3.700 50 0 EHAARO CC[C@H]1CN(C(=O)c2ccc(-c3ccsc3)nc2)CC[N@@H+]1C(C)C ZINC000067740268 215199839 /nfs/dbraw/zinc/19/98/39/215199839.db2.gz PBFRKWPZSDNHKY-KRWDZBQOSA-N 1 0 343.496 3.755 50 0 EHAARO CCc1cnc(NCc2cccnc2N(C)Cc2ccccc2)nc1 ZINC000067757369 215204265 /nfs/dbraw/zinc/20/42/65/215204265.db2.gz PDGJSKVTEMDGBL-UHFFFAOYSA-N 1 0 333.439 3.683 50 0 EHAARO C[C@H]([NH2+]C1CCN(C(=O)c2cccnc2)CC1)c1ccccc1Cl ZINC000067774245 215209173 /nfs/dbraw/zinc/20/91/73/215209173.db2.gz CIYZDLLZIJTQHB-AWEZNQCLSA-N 1 0 343.858 3.690 50 0 EHAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(Cl)nn1 ZINC000067856522 215233695 /nfs/dbraw/zinc/23/36/95/215233695.db2.gz WKSKUKCGIXWLLK-UHFFFAOYSA-N 1 0 333.819 3.917 50 0 EHAARO COc1ccc2cc([C@H](C)Nc3nc(C)nc4c3CC[NH2+]C4)ccc2c1 ZINC000067955768 215259754 /nfs/dbraw/zinc/25/97/54/215259754.db2.gz BNIACFQGKAJFFY-ZDUSSCGKSA-N 1 0 348.450 3.766 50 0 EHAARO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cccs3)cc2F)CC1 ZINC000069534114 215465117 /nfs/dbraw/zinc/46/51/17/215465117.db2.gz FNSBZFLNQRTNME-UHFFFAOYSA-N 1 0 347.459 3.670 50 0 EHAARO COc1cccc(C[NH+]2CCC(NC(=O)CCC3CCCC3)CC2)c1 ZINC000040157504 213275792 /nfs/dbraw/zinc/27/57/92/213275792.db2.gz JFMPNHCVKRMGNB-UHFFFAOYSA-N 1 0 344.499 3.746 50 0 EHAARO C[NH+](C)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 ZINC000069535257 215466355 /nfs/dbraw/zinc/46/63/55/215466355.db2.gz AJMIJHGFSLDSQS-UHFFFAOYSA-N 1 0 344.405 3.798 50 0 EHAARO Cc1nc(-c2ccccc2)sc1C(=O)NCC[NH+]1CCCCCC1 ZINC000040074559 213259629 /nfs/dbraw/zinc/25/96/29/213259629.db2.gz XGHDYXFIOMEZPK-UHFFFAOYSA-N 1 0 343.496 3.724 50 0 EHAARO NC(=O)C1CC[NH+](Cc2cncc(-c3ccc4ccccc4c3)c2)CC1 ZINC000037554180 213156905 /nfs/dbraw/zinc/15/69/05/213156905.db2.gz CKSTXGRVGXVQKM-UHFFFAOYSA-N 1 0 345.446 3.599 50 0 EHAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)o1 ZINC000036097936 213065027 /nfs/dbraw/zinc/06/50/27/213065027.db2.gz HHDKOGIWZFVWBV-SFHVURJKSA-N 1 0 349.446 3.905 50 0 EHAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)COC(C)(C)C)c1 ZINC000036098678 213065161 /nfs/dbraw/zinc/06/51/61/213065161.db2.gz IKXDVGXKLLMNCI-SFHVURJKSA-N 1 0 331.456 3.766 50 0 EHAARO Cc1ccc(C)c(C[N@@H+](C[C@@H](O)COCc2ccco2)C(C)C)c1 ZINC000036103856 213068744 /nfs/dbraw/zinc/06/87/44/213068744.db2.gz VZZWHCFSLMGCKP-LJQANCHMSA-N 1 0 331.456 3.685 50 0 EHAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C ZINC000036096215 213063545 /nfs/dbraw/zinc/06/35/45/213063545.db2.gz FVJIPXPVFRQWST-IBGZPJMESA-N 1 0 337.504 3.577 50 0 EHAARO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CC[C@H]([NH+](C)C)C1 ZINC000071497693 215782271 /nfs/dbraw/zinc/78/22/71/215782271.db2.gz JGHHKGYIGQLLDW-IBGZPJMESA-N 1 0 335.451 3.939 50 0 EHAARO FC(F)(F)CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072133503 216022692 /nfs/dbraw/zinc/02/26/92/216022692.db2.gz ZJKYACFVMNFLNS-KZNAEPCWSA-N 1 0 338.417 3.891 50 0 EHAARO COc1ccc(-c2cc(N)nc3[nH]ccc32)cc1C[NH2+]C1CCCC1 ZINC000072143533 216029418 /nfs/dbraw/zinc/02/94/18/216029418.db2.gz YQQICRVUNXMDGN-UHFFFAOYSA-N 1 0 336.439 3.853 50 0 EHAARO Cn1ccc2cc(CN3CCC[N@H+](Cc4cccs4)CC3)ccc21 ZINC000072145143 216030436 /nfs/dbraw/zinc/03/04/36/216030436.db2.gz NGIUNPNSCVXKMR-UHFFFAOYSA-N 1 0 339.508 3.948 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)ccc1O ZINC000072152999 216041663 /nfs/dbraw/zinc/04/16/63/216041663.db2.gz GACWKHPVVFQUIJ-MRXNPFEDSA-N 1 0 345.414 3.831 50 0 EHAARO CC[C@@H](Nc1nc(-c2cccnc2)nc2c1C[NH2+]C2)c1cccs1 ZINC000072159228 216049438 /nfs/dbraw/zinc/04/94/38/216049438.db2.gz NSWXNKUVFSZGIJ-CQSZACIVSA-N 1 0 337.452 3.767 50 0 EHAARO Fc1ccc(CCNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)cc1 ZINC000072165325 216054338 /nfs/dbraw/zinc/05/43/38/216054338.db2.gz ORQLALDOFPICKE-UHFFFAOYSA-N 1 0 348.425 3.583 50 0 EHAARO CC[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)CC[N@@H+]1C(C)C ZINC000072167654 216057959 /nfs/dbraw/zinc/05/79/59/216057959.db2.gz LBXZYAGHIIKTAI-IBGZPJMESA-N 1 0 330.520 3.829 50 0 EHAARO C[N@H+](Cc1ccc(-c2ccccc2)s1)CC1(CO)CCOCC1 ZINC000072169498 216060317 /nfs/dbraw/zinc/06/03/17/216060317.db2.gz KVODLWBVYRTINW-UHFFFAOYSA-N 1 0 331.481 3.636 50 0 EHAARO Cc1ccc2occ(CN3CCC([NH+]4CCCCC4)CC3)c(=O)c2c1 ZINC000000212267 209487367 /nfs/dbraw/zinc/48/73/67/209487367.db2.gz IJALJPNSTZIKBV-UHFFFAOYSA-N 1 0 340.467 3.552 50 0 EHAARO CN1C[C@]2(CC[N@H+](Cc3cccc4c5ccccc5oc43)C2)OC1=O ZINC000072409631 216200840 /nfs/dbraw/zinc/20/08/40/216200840.db2.gz SZNAKMBWYYKKCO-FQEVSTJZSA-N 1 0 336.391 3.613 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1Cl ZINC000000067796 209398319 /nfs/dbraw/zinc/39/83/19/209398319.db2.gz DRMYZENYZVHLPK-UHFFFAOYSA-N 1 0 328.843 3.734 50 0 EHAARO CCNc1ccnc(N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000072458366 216244132 /nfs/dbraw/zinc/24/41/32/216244132.db2.gz LHDUAGBPOOLITO-INIZCTEOSA-N 1 0 345.878 3.638 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2cc1O)c1cccs1 ZINC000023819363 212396632 /nfs/dbraw/zinc/39/66/32/212396632.db2.gz RBNALHWAOCMDFM-INIZCTEOSA-N 1 0 340.448 3.640 50 0 EHAARO C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000023580728 212383062 /nfs/dbraw/zinc/38/30/62/212383062.db2.gz UDFTUGITYZYFBR-NSHDSACASA-N 1 0 338.238 3.553 50 0 EHAARO O=C(Cc1ccc(Cl)cc1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127953 212352139 /nfs/dbraw/zinc/35/21/39/212352139.db2.gz MHKBUITVLVMHCZ-UHFFFAOYSA-N 1 0 334.891 3.653 50 0 EHAARO Cc1noc(C(C)C)c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000022685293 212315812 /nfs/dbraw/zinc/31/58/12/212315812.db2.gz UVMGFKJKWAUDHX-QGZVFWFLSA-N 1 0 341.455 3.673 50 0 EHAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000022199296 212281745 /nfs/dbraw/zinc/28/17/45/212281745.db2.gz NFLPIFBLUDLTAU-OAHLLOKOSA-N 1 0 330.453 3.922 50 0 EHAARO CC(C)[N@@H+]1CCCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000215766771 241143130 /nfs/dbraw/zinc/14/31/30/241143130.db2.gz AGWKLNHPDQOLCD-UHFFFAOYSA-N 1 0 339.483 3.577 50 0 EHAARO CSc1ncc(C[NH+]2CCC3(CCc4ccccc43)CC2)cn1 ZINC000216187726 241172467 /nfs/dbraw/zinc/17/24/67/241172467.db2.gz WMSBDIZHYWTNBZ-UHFFFAOYSA-N 1 0 325.481 3.679 50 0 EHAARO Cc1nn(CCO)c(C)c1C[N@@H+]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000216307538 241180388 /nfs/dbraw/zinc/18/03/88/241180388.db2.gz WGFMPSWLZHGEAC-QGZVFWFLSA-N 1 0 347.890 3.525 50 0 EHAARO OCCOc1ccccc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000215465754 241125501 /nfs/dbraw/zinc/12/55/01/241125501.db2.gz VAWCYMZHCXGBBU-MRXNPFEDSA-N 1 0 331.843 3.701 50 0 EHAARO c1[nH]c2ccccc2c1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000022031785 212272824 /nfs/dbraw/zinc/27/28/24/212272824.db2.gz FBSGWYWDCQQCBK-UHFFFAOYSA-N 1 0 333.479 3.918 50 0 EHAARO O[C@H](c1cc2n(n1)CCC[N@H+](C/C=C/c1ccccc1)C2)C1CCC1 ZINC000218975212 241357811 /nfs/dbraw/zinc/35/78/11/241357811.db2.gz BDUNWBJJLLAUPJ-OWLMGLOSSA-N 1 0 337.467 3.636 50 0 EHAARO CC[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000225759561 242023290 /nfs/dbraw/zinc/02/32/90/242023290.db2.gz AGOJHLZNRXRQGA-DZFGPLHGSA-N 1 0 336.479 3.817 50 0 EHAARO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CCCc3ccccc3C2)C1 ZINC000225770491 242028901 /nfs/dbraw/zinc/02/89/01/242028901.db2.gz LZPUVCVYPYOPEU-GOSISDBHSA-N 1 0 334.463 3.597 50 0 EHAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)Nc1cccc2c1CCCC2 ZINC000021175309 212213901 /nfs/dbraw/zinc/21/39/01/212213901.db2.gz ZJOIMZJTKXJFDA-MRXNPFEDSA-N 1 0 341.499 3.951 50 0 EHAARO O=C(COc1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021148708 212211195 /nfs/dbraw/zinc/21/11/95/212211195.db2.gz LDPWZFYYYHZYFG-LJQANCHMSA-N 1 0 344.499 3.713 50 0 EHAARO Cc1oc2nc(C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)nc(N)c2c1C ZINC000133810337 223448418 /nfs/dbraw/zinc/44/84/18/223448418.db2.gz XICBFCIABKVPGB-HZPDHXFCSA-N 1 0 336.439 3.848 50 0 EHAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000020112206 212103531 /nfs/dbraw/zinc/10/35/31/212103531.db2.gz XQEGOSKIIOZULV-UONOGXRCSA-N 1 0 349.261 3.774 50 0 biogenic EHAARO C[NH+]1CCN([C@@H]2Cc3ccccc3Sc3cc(F)ccc32)CC1 ZINC000019802278 212069934 /nfs/dbraw/zinc/06/99/34/212069934.db2.gz JHVUZQFWNDBWDL-QGZVFWFLSA-N 1 0 328.456 3.822 50 0 EHAARO OCC1CCN([C@@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)CC1 ZINC000019792848 212068168 /nfs/dbraw/zinc/06/81/68/212068168.db2.gz PIXGWHSTYZZFJR-GOSISDBHSA-N 1 0 344.524 3.570 50 0 EHAARO CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]C3CCN(C)CC3)C2)cc1 ZINC000019742775 212060608 /nfs/dbraw/zinc/06/06/08/212060608.db2.gz XRXYYHWXDORXSE-JOCHJYFZSA-N 1 0 343.559 3.533 50 0 EHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000019595510 212050297 /nfs/dbraw/zinc/05/02/97/212050297.db2.gz RMRUQHBLWZNKLP-OAHLLOKOSA-N 1 0 341.484 3.599 50 0 EHAARO O=C(Nc1cccnc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019375398 212024296 /nfs/dbraw/zinc/02/42/96/212024296.db2.gz RVULDOSZJYLBSA-UHFFFAOYSA-N 1 0 343.430 3.892 50 0 EHAARO COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019363256 212021171 /nfs/dbraw/zinc/02/11/71/212021171.db2.gz UOMBRGFRARDBQJ-FGZHOGPDSA-N 1 0 336.479 3.663 50 0 EHAARO COc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000078765593 217116404 /nfs/dbraw/zinc/11/64/04/217116404.db2.gz MPIYPRSYPSYPDW-UHFFFAOYSA-N 1 0 348.830 3.541 50 0 EHAARO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000078870254 217135294 /nfs/dbraw/zinc/13/52/94/217135294.db2.gz JFRSRINCEVTWCK-RISCZKNCSA-N 1 0 334.847 3.949 50 0 EHAARO C[NH+](C)CCCCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084367261 217600367 /nfs/dbraw/zinc/60/03/67/217600367.db2.gz QWTSMPHDXJBTDS-UHFFFAOYSA-N 1 0 329.271 3.610 50 0 EHAARO Cc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3F)CC2)c(C)c1 ZINC000012451674 211386408 /nfs/dbraw/zinc/38/64/08/211386408.db2.gz UHUMCYYFCAPUAA-UHFFFAOYSA-N 1 0 340.442 3.677 50 0 EHAARO Cc1c(C)n(CC[NH+](C)C)c2nc3c(c(N)c12)CCc1ccccc1-3 ZINC000012321120 211346388 /nfs/dbraw/zinc/34/63/88/211346388.db2.gz QNVXHISICSVFSB-UHFFFAOYSA-N 1 0 334.467 3.563 50 0 EHAARO COc1ccccc1Oc1ncccc1C[NH2+]C1CCSCC1 ZINC000012307525 211342181 /nfs/dbraw/zinc/34/21/81/211342181.db2.gz RALDYXMTFDGLLZ-UHFFFAOYSA-N 1 0 330.453 3.868 50 0 EHAARO O=C(CC[C@@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1)NC1CC1 ZINC000012304338 211339835 /nfs/dbraw/zinc/33/98/35/211339835.db2.gz NFXRWSPDBBWNES-DUXHTMCSSA-N 1 0 330.447 3.610 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012298418 211337223 /nfs/dbraw/zinc/33/72/23/211337223.db2.gz XQTYSIPQLKEUKK-OAQYLSRUSA-N 1 0 327.443 3.951 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cc2ccccc2o1 ZINC000012025720 211280995 /nfs/dbraw/zinc/28/09/95/211280995.db2.gz HNHFTIBYNGTDTL-LJQANCHMSA-N 1 0 348.446 3.870 50 0 EHAARO Cc1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)[nH]n1 ZINC000011817920 211250979 /nfs/dbraw/zinc/25/09/79/211250979.db2.gz ZXKDXUOOUXCXRR-GOSISDBHSA-N 1 0 335.455 3.688 50 0 EHAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)s1 ZINC000091829234 218071690 /nfs/dbraw/zinc/07/16/90/218071690.db2.gz DXTMQJFEENPSGX-ZWKOTPCHSA-N 1 0 327.497 3.548 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c(C)n1 ZINC000091739663 218055988 /nfs/dbraw/zinc/05/59/88/218055988.db2.gz LYKIIEGROPAGPF-LBPRGKRZSA-N 1 0 340.402 3.781 50 0 EHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3ncccn3)CC2)C1 ZINC000092028540 218105782 /nfs/dbraw/zinc/10/57/82/218105782.db2.gz DVYJDMDTZSQOGP-LJQANCHMSA-N 1 0 336.483 3.573 50 0 EHAARO CC[N@H+](C[C@@H](O)COC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010434725 211172162 /nfs/dbraw/zinc/17/21/62/211172162.db2.gz WDLAPJSBMOTMOC-UQTNFYOXSA-N 1 0 335.532 3.987 50 0 EHAARO CC(=O)c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000095355274 218289554 /nfs/dbraw/zinc/28/95/54/218289554.db2.gz HCVNLIMOTJGCPX-JTHBVZDNSA-N 1 0 348.490 3.986 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)s1 ZINC000095421736 218364243 /nfs/dbraw/zinc/36/42/43/218364243.db2.gz LTICTGBJWWXOFW-IEBWSBKVSA-N 1 0 343.540 3.696 50 0 EHAARO Cc1cnc([C@@H]([NH2+][C@@H](C)CC(=O)N2CCCCCC2)C2CC2)s1 ZINC000095423346 218366062 /nfs/dbraw/zinc/36/60/62/218366062.db2.gz YHZSJQPEDCMJFM-GUYCJALGSA-N 1 0 335.517 3.673 50 0 EHAARO CC(C)(NCc1nnc(-c2cccs2)o1)c1ccc2c(c1)OCO2 ZINC000095431563 218373300 /nfs/dbraw/zinc/37/33/00/218373300.db2.gz ILSYLKSAXUWKNP-UHFFFAOYSA-N 1 0 343.408 3.552 50 0 EHAARO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000095453409 218397219 /nfs/dbraw/zinc/39/72/19/218397219.db2.gz PRCWCKKRLVPIOR-LJQANCHMSA-N 1 0 342.414 3.691 50 0 EHAARO Cc1ccc(C)c2c1CCC[C@@H]2[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC000095453379 218397390 /nfs/dbraw/zinc/39/73/90/218397390.db2.gz KVVZOFQAFXZUMG-IBGZPJMESA-N 1 0 338.451 3.732 50 0 EHAARO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000095941281 218454097 /nfs/dbraw/zinc/45/40/97/218454097.db2.gz ZZHNKVRQLLGNSS-CZUORRHYSA-N 1 0 333.863 3.796 50 0 EHAARO CC(C)(C)OC[C@H](O)C[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000007636326 210823357 /nfs/dbraw/zinc/82/33/57/210823357.db2.gz XLTTYAARRSXXTO-OAQYLSRUSA-N 1 0 341.495 3.907 50 0 EHAARO Cc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1Cl ZINC000005051470 210376147 /nfs/dbraw/zinc/37/61/47/210376147.db2.gz SSYCFHSRIWDMSK-UHFFFAOYSA-N 1 0 343.858 3.653 50 0 EHAARO COc1cc(OC)c(/C=C\c2ccc3ccccc3[n+]2C)c(OC)c1 ZINC000005045771 210373080 /nfs/dbraw/zinc/37/30/80/210373080.db2.gz HNYCJVFMCMJALP-QXMHVHEDSA-N 1 0 336.411 3.861 50 0 EHAARO COc1cc(Cl)cc(C[NH+]2CCC3(CCOCC3)CC2)c1OC ZINC000097370308 219015778 /nfs/dbraw/zinc/01/57/78/219015778.db2.gz AWWQBAPTVYGIIA-UHFFFAOYSA-N 1 0 339.863 3.750 50 0 EHAARO C[C@H](c1ccc(C(=O)NCCc2cccc(F)c2)o1)[NH+]1CCCCC1 ZINC000097402523 219022038 /nfs/dbraw/zinc/02/20/38/219022038.db2.gz AHFDJJNMZPYYDO-OAHLLOKOSA-N 1 0 344.430 3.938 50 0 EHAARO CCSc1ccc([C@@H](C)NC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000236937655 257945899 /nfs/dbraw/zinc/94/58/99/257945899.db2.gz DZUNIDTVRMZRCV-RDTXWAMCSA-N 1 0 328.481 3.718 50 0 EHAARO Cc1c[nH+]ccc1N1CCN(C(=O)Nc2cccc(C(C)C)c2)CC1 ZINC000299756580 258074981 /nfs/dbraw/zinc/07/49/81/258074981.db2.gz FFHNFKFCXJNHPF-UHFFFAOYSA-N 1 0 338.455 3.868 50 0 EHAARO CCCCC[C@H](C)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104078 132398147 /nfs/dbraw/zinc/39/81/47/132398147.db2.gz CVQFLLNKHYGTNT-INIZCTEOSA-N 1 0 332.492 3.529 50 0 EHAARO CCCCC[C@@H](C)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000040103821 132398412 /nfs/dbraw/zinc/39/84/12/132398412.db2.gz JNMXVOJFWNENLK-QGZVFWFLSA-N 1 0 346.519 3.837 50 0 EHAARO CO[C@@H](C)c1cccc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000095992632 262534718 /nfs/dbraw/zinc/53/47/18/262534718.db2.gz JKGTYYHLQGANHR-INIZCTEOSA-N 1 0 325.456 3.866 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)[C@@H]1COc2ccccc21 ZINC000246510577 525610722 /nfs/dbraw/zinc/61/07/22/525610722.db2.gz UAKSUFWQJPDQSL-HKMSGOHHSA-N 1 0 329.465 3.639 50 0 EHAARO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCCCCC1 ZINC000006082885 563238405 /nfs/dbraw/zinc/23/84/05/563238405.db2.gz RKQVZMHSMOWIIL-UHFFFAOYSA-N 1 0 325.250 3.572 50 0 EHAARO CCC(CC)[NH+]1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC000002735115 563447706 /nfs/dbraw/zinc/44/77/06/563447706.db2.gz MJQCLYHSYABAAK-UHFFFAOYSA-N 1 0 333.495 3.601 50 0 EHAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000004550659 563505084 /nfs/dbraw/zinc/50/50/84/563505084.db2.gz VNHPFMCKVFIJRI-INIZCTEOSA-N 1 0 333.472 3.781 50 0 EHAARO OCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000005323465 563526891 /nfs/dbraw/zinc/52/68/91/563526891.db2.gz QCDRBLNCXMDCHK-UHFFFAOYSA-N 1 0 325.383 3.640 50 0 EHAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 ZINC000071909296 563572742 /nfs/dbraw/zinc/57/27/42/563572742.db2.gz XGVKFICAMNGJBL-HBGVWJBISA-N 1 0 349.478 3.527 50 0 EHAARO CC[NH+]1CCC(NC(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000006654831 563576220 /nfs/dbraw/zinc/57/62/20/563576220.db2.gz SSUIGCXHMVWLDP-UHFFFAOYSA-N 1 0 340.851 3.908 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@H+](CCCCOc2cccc(OCC)c2)C1 ZINC000006727395 563583126 /nfs/dbraw/zinc/58/31/26/563583126.db2.gz JNXCQSZQHFKSMO-KRWDZBQOSA-N 1 0 349.471 3.519 50 0 EHAARO Cn1cccc1[C@@H]1CCC[N@@H+]1[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000014070432 563737759 /nfs/dbraw/zinc/73/77/59/563737759.db2.gz AYWSYBGARSBCCX-VQTJNVASSA-N 1 0 337.467 3.526 50 0 EHAARO O=C(Nc1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000014095269 563739980 /nfs/dbraw/zinc/73/99/80/563739980.db2.gz UTMMFKWCNSQSGR-UHFFFAOYSA-N 1 0 327.403 3.566 50 0 EHAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)no1 ZINC000014139625 563744936 /nfs/dbraw/zinc/74/49/36/563744936.db2.gz KJVBPRRLSGOQOY-BZNIZROVSA-N 1 0 333.819 3.704 50 0 EHAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c3c(cccc31)CC2 ZINC000032893573 563782650 /nfs/dbraw/zinc/78/26/50/563782650.db2.gz IBCWXYMWIPSOBW-UHFFFAOYSA-N 1 0 336.479 3.934 50 0 EHAARO Cc1ccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1C ZINC000015831534 563793387 /nfs/dbraw/zinc/79/33/87/563793387.db2.gz DKGKOMQNLQULOL-LJQANCHMSA-N 1 0 344.499 3.549 50 0 EHAARO O[C@]1(c2cccs2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2 ZINC000015962252 563800812 /nfs/dbraw/zinc/80/08/12/563800812.db2.gz FBKWTPTXNAWJMT-KRWDZBQOSA-N 1 0 333.864 3.662 50 0 EHAARO CCC[NH+]1CCC(NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000016580463 563815392 /nfs/dbraw/zinc/81/53/92/563815392.db2.gz ITGFSQBIKGGMFC-UHFFFAOYSA-N 1 0 336.479 3.809 50 0 EHAARO Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCCn3ccnc3)c2)o1 ZINC000069876016 563864391 /nfs/dbraw/zinc/86/43/91/563864391.db2.gz XYXYOQJEHAZICO-INIZCTEOSA-N 1 0 325.412 3.714 50 0 EHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000026494034 563891925 /nfs/dbraw/zinc/89/19/25/563891925.db2.gz DQGJCELNGPAFAU-QPCUBCJCSA-N 1 0 338.495 3.594 50 0 EHAARO CC[NH+]1CCC(NC(=O)CSc2c(C)c(C)cc(C)c2C)CC1 ZINC000028115933 563901422 /nfs/dbraw/zinc/90/14/22/563901422.db2.gz IEAQIXDRTYSGIZ-UHFFFAOYSA-N 1 0 334.529 3.613 50 0 EHAARO CSc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c1 ZINC000029483491 563906727 /nfs/dbraw/zinc/90/67/27/563906727.db2.gz IKBNDWXHQYUXSO-GOSISDBHSA-N 1 0 326.465 3.966 50 0 EHAARO CC[C@@H]([NH2+][C@H]1CCSc2c(F)cccc21)C(=O)Nc1cc(C)on1 ZINC000030504775 563909836 /nfs/dbraw/zinc/90/98/36/563909836.db2.gz WIZSOVOWABQGIY-KGLIPLIRSA-N 1 0 349.431 3.666 50 0 EHAARO CCOC(=O)C1=Cc2ccc(C(F)(F)C(F)(F)F)cc2NC(=[NH2+])C1 ZINC000034809231 563919718 /nfs/dbraw/zinc/91/97/18/563919718.db2.gz ICZPANLPYRTVSF-UHFFFAOYSA-N 1 0 348.271 3.680 50 0 EHAARO C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000269233674 563920612 /nfs/dbraw/zinc/92/06/12/563920612.db2.gz AYOCPCGWAZBDCL-DYEKYZERSA-N 1 0 343.298 3.758 50 0 EHAARO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000058060032 563937058 /nfs/dbraw/zinc/93/70/58/563937058.db2.gz ZYBYPPDZOHIEMZ-UHFFFAOYSA-N 1 0 341.402 3.626 50 0 EHAARO CC[N@@H+]1CCC[C@H](CNC(=O)C2(c3cc(C)cc(C)c3)CCC2)C1 ZINC000058274771 563941368 /nfs/dbraw/zinc/94/13/68/563941368.db2.gz RWARDXXZEGIPTB-GOSISDBHSA-N 1 0 328.500 3.573 50 0 EHAARO CCc1cccc(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CCC2)c1 ZINC000058377571 563944208 /nfs/dbraw/zinc/94/42/08/563944208.db2.gz VLTSWUQWFDLNPC-UHFFFAOYSA-N 1 0 326.415 3.996 50 0 EHAARO CCc1ccc2c(CN(C)C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000058416015 563945427 /nfs/dbraw/zinc/94/54/27/563945427.db2.gz BGFXRIRPLSWIRJ-UHFFFAOYSA-N 1 0 342.483 3.660 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@@H]1CCOC1 ZINC000096496285 563955823 /nfs/dbraw/zinc/95/58/23/563955823.db2.gz GUOJJGJMDJPFOF-DGCLKSJQSA-N 1 0 335.245 3.512 50 0 EHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000065371611 563958496 /nfs/dbraw/zinc/95/84/96/563958496.db2.gz XYSPNGYJTOABSV-IBGZPJMESA-N 1 0 349.478 3.549 50 0 EHAARO Cc1cc(C)c(NC(=O)CC[NH2+][C@@H](C)Cc2cccnc2)c(C)c1 ZINC000065375013 563958765 /nfs/dbraw/zinc/95/87/65/563958765.db2.gz JIRRYDZUGKHWHD-KRWDZBQOSA-N 1 0 325.456 3.556 50 0 EHAARO C[C@H](CC[N@@H+]1CCCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000065393468 563959347 /nfs/dbraw/zinc/95/93/47/563959347.db2.gz ZWFAJKNJPKCWLF-QGZVFWFLSA-N 1 0 326.440 3.621 50 0 EHAARO CC(=O)N(CC1=CCC[N@H+](CCCF)C1)[C@H]1CCCc2ccccc21 ZINC000065469218 563961360 /nfs/dbraw/zinc/96/13/60/563961360.db2.gz RIVAWUPGETZXTP-NRFANRHFSA-N 1 0 344.474 3.904 50 0 EHAARO Cc1[nH+]c([C@@H]2CC(=O)Nc3n[nH]c(-c4cccs4)c32)c2ccccn12 ZINC000065490981 563961525 /nfs/dbraw/zinc/96/15/25/563961525.db2.gz APBLSPZYYBHYFO-LLVKDONJSA-N 1 0 349.419 3.568 50 0 EHAARO Cc1cc(N)nc(SCc2csc(COc3ccccc3)n2)n1 ZINC000060427530 563963515 /nfs/dbraw/zinc/96/35/15/563963515.db2.gz RFHLYZBHQPIGLH-UHFFFAOYSA-N 1 0 344.465 3.695 50 0 EHAARO CCCc1ncc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000071721363 563964834 /nfs/dbraw/zinc/96/48/34/563964834.db2.gz MPXRCXLGYHAWQU-QGZVFWFLSA-N 1 0 331.847 3.656 50 0 EHAARO Nc1ncccc1C[N@@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071770911 563965641 /nfs/dbraw/zinc/96/56/41/563965641.db2.gz GSQXENQZEUXIMW-CQSZACIVSA-N 1 0 331.410 3.787 50 0 EHAARO CCc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000071775532 563965702 /nfs/dbraw/zinc/96/57/02/563965702.db2.gz HHWQQXRZFKOKJH-BHDDXSALSA-N 1 0 336.479 3.904 50 0 EHAARO C[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)[NH+]1CCCC1 ZINC000046408538 563966303 /nfs/dbraw/zinc/96/63/03/563966303.db2.gz ATDOAQGVFBXRNC-OAHLLOKOSA-N 1 0 336.435 3.525 50 0 EHAARO Cc1[nH+]c2ccccc2c(N2CCC[C@@H](c3nnc4n3CCC4)C2)c1C ZINC000097085947 563967362 /nfs/dbraw/zinc/96/73/62/563967362.db2.gz YNHUZWWPDBIMDS-MRXNPFEDSA-N 1 0 347.466 3.773 50 0 EHAARO COCCn1cncc1C[N@@H+]1CCCC[C@@H]1CCc1cccs1 ZINC000077420471 563969577 /nfs/dbraw/zinc/96/95/77/563969577.db2.gz SXUVMAJINHNZNO-MRXNPFEDSA-N 1 0 333.501 3.578 50 0 EHAARO c1[nH]c(CC2CCCC2)nc1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077505509 563970057 /nfs/dbraw/zinc/97/00/57/563970057.db2.gz GRZRUDPRBVEAHF-FQEVSTJZSA-N 1 0 344.547 3.983 50 0 EHAARO COc1ccc(-c2ccc(CN3CCN(c4cccnc4)CC3)o2)cc1 ZINC000077505152 563970071 /nfs/dbraw/zinc/97/00/71/563970071.db2.gz CQBLPRIWJVOJHB-UHFFFAOYSA-N 1 0 349.434 3.672 50 0 EHAARO CC[C@@H]1CN(C(=O)c2ccc(-c3ccco3)cc2)CC[N@@H+]1C(C)C ZINC000082127115 563972553 /nfs/dbraw/zinc/97/25/53/563972553.db2.gz ZYHPYQLNUWYBSZ-GOSISDBHSA-N 1 0 326.440 3.891 50 0 EHAARO O=C1N(CC2CC2)CCC[C@]12CC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000091575357 563975525 /nfs/dbraw/zinc/97/55/25/563975525.db2.gz BDXLJLYTOBYRGH-LJQANCHMSA-N 1 0 332.875 3.565 50 0 EHAARO CCCc1nc(C)cc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)n1 ZINC000095506226 563977139 /nfs/dbraw/zinc/97/71/39/563977139.db2.gz IBFWVEDEYMEBND-CQSZACIVSA-N 1 0 345.516 3.514 50 0 EHAARO C[C@@H](c1cncs1)N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095516513 563977307 /nfs/dbraw/zinc/97/73/07/563977307.db2.gz AUGCQWVNZCFVSK-HNNXBMFYSA-N 1 0 343.496 3.962 50 0 EHAARO COCC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)CCC1 ZINC000097475452 563981576 /nfs/dbraw/zinc/98/15/76/563981576.db2.gz BXCKTXYVFUAFTL-LJQANCHMSA-N 1 0 344.499 3.537 50 0 EHAARO CSc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000119796578 563983707 /nfs/dbraw/zinc/98/37/07/563983707.db2.gz MYIWRFPXSXVTKA-HNNXBMFYSA-N 1 0 333.501 3.748 50 0 EHAARO C[C@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1ccccc1F ZINC000000262068 563989724 /nfs/dbraw/zinc/98/97/24/563989724.db2.gz JPBPJUPPIIDZLM-CQSZACIVSA-N 1 0 346.475 3.542 50 0 EHAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2cccnc2)cc1 ZINC000000261969 563989744 /nfs/dbraw/zinc/98/97/44/563989744.db2.gz RVARWBRIQJHLHT-MRXNPFEDSA-N 1 0 342.512 3.712 50 0 EHAARO Cc1ccccc1C1CC([NH2+][C@H](C)Cn2ncc3ccccc3c2=O)C1 ZINC000128012500 563996067 /nfs/dbraw/zinc/99/60/67/563996067.db2.gz MFEJITYTWMDIME-IPJUCJBFSA-N 1 0 347.462 3.629 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000253404952 563999169 /nfs/dbraw/zinc/99/91/69/563999169.db2.gz GCWDLELVKWRCRG-CZUORRHYSA-N 1 0 336.476 3.743 50 0 EHAARO O=C(Nc1ccc2ncsc2c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000155665248 564008238 /nfs/dbraw/zinc/00/82/38/564008238.db2.gz AMFYHKISKLVGPT-CQSZACIVSA-N 1 0 344.484 3.636 50 0 EHAARO O=C(Cc1ccc(-c2ccccc2)cc1)NCCC[NH+]1CCCCC1 ZINC000017812349 564013057 /nfs/dbraw/zinc/01/30/57/564013057.db2.gz NYVVQGAKPIFTPV-UHFFFAOYSA-N 1 0 336.479 3.888 50 0 EHAARO C[C@H](CNC(=S)Nc1ccc(F)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000105680153 564025292 /nfs/dbraw/zinc/02/52/92/564025292.db2.gz SBQVETZUMQYRSH-NWDGAFQWSA-N 1 0 327.444 3.514 50 0 EHAARO CCOc1cc(CN(C)Cc2c(C)noc2C)ccc1OC(F)F ZINC000046777194 564025404 /nfs/dbraw/zinc/02/54/04/564025404.db2.gz RHHFXSWSCOUQTB-UHFFFAOYSA-N 1 0 340.370 3.924 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000047039080 564025663 /nfs/dbraw/zinc/02/56/63/564025663.db2.gz UXIZEVMCCHNFHN-OKILXGFUSA-N 1 0 340.870 3.967 50 0 EHAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccccn1 ZINC000106633129 564026567 /nfs/dbraw/zinc/02/65/67/564026567.db2.gz UYNICMVNRLBHPN-FPOVZHCZSA-N 1 0 349.478 3.657 50 0 EHAARO C[C@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000044907012 564027675 /nfs/dbraw/zinc/02/76/75/564027675.db2.gz CCKZOZYBPJBTJE-MRVPVSSYSA-N 1 0 342.262 3.791 50 0 EHAARO COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000108356003 564028133 /nfs/dbraw/zinc/02/81/33/564028133.db2.gz BBEFYVLAPSZLPP-YSSFQJQWSA-N 1 0 338.451 3.695 50 0 EHAARO COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000108355998 564028148 /nfs/dbraw/zinc/02/81/48/564028148.db2.gz BBEFYVLAPSZLPP-XPGWFJOJSA-N 1 0 338.451 3.695 50 0 EHAARO Cc1ccccc1-n1nnnc1C1([NH2+]CCc2ccccc2)CCCC1 ZINC000046078026 564029460 /nfs/dbraw/zinc/02/94/60/564029460.db2.gz BOKBVTOHBKQAEE-UHFFFAOYSA-N 1 0 347.466 3.572 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000048368107 564031596 /nfs/dbraw/zinc/03/15/96/564031596.db2.gz ZLCRWOWGHPYBHI-BETUJISGSA-N 1 0 326.843 3.577 50 0 EHAARO O=C(/C=C/c1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011755 564034618 /nfs/dbraw/zinc/03/46/18/564034618.db2.gz MPQWNDMMDMLHPD-FMIVXFBMSA-N 1 0 338.426 3.751 50 0 EHAARO CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ccnc2)nc1 ZINC000032419971 564036045 /nfs/dbraw/zinc/03/60/45/564036045.db2.gz FHRCXUZJKBSDNZ-JKSUJKDBSA-N 1 0 326.444 3.602 50 0 EHAARO C[NH+](C)C1(CNC(=O)Cc2ccccc2C(F)(F)F)CCCCC1 ZINC000221346766 564036138 /nfs/dbraw/zinc/03/61/38/564036138.db2.gz LSKBNHVEQXHNDN-UHFFFAOYSA-N 1 0 342.405 3.629 50 0 EHAARO COC[C@H]1CCC[N@H+](CCC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000252489431 564053480 /nfs/dbraw/zinc/05/34/80/564053480.db2.gz JRAOOIZSHRESHT-HNNXBMFYSA-N 1 0 338.879 3.644 50 0 EHAARO C[NH+]1CCC(NC(=S)Nc2ccccc2Cc2ccccc2)CC1 ZINC000063142897 564056620 /nfs/dbraw/zinc/05/66/20/564056620.db2.gz GJOXMNJFCXQZJN-UHFFFAOYSA-N 1 0 339.508 3.658 50 0 EHAARO Cc1cccc(C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000063408858 564057382 /nfs/dbraw/zinc/05/73/82/564057382.db2.gz BCHUMQSECDDCJG-IBGZPJMESA-N 1 0 343.515 3.542 50 0 EHAARO CC(C)[C@@H](C)[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000073621935 564060840 /nfs/dbraw/zinc/06/08/40/564060840.db2.gz NWFNHOLCDKVKDT-CYBMUJFWSA-N 1 0 329.893 3.623 50 0 EHAARO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000012677678 564062599 /nfs/dbraw/zinc/06/25/99/564062599.db2.gz ZVTMLENBTMQCPD-VBKZILBWSA-N 1 0 336.435 3.957 50 0 EHAARO CCc1nc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)cs1 ZINC000083830346 564063577 /nfs/dbraw/zinc/06/35/77/564063577.db2.gz JWNKJWVAOAPKSJ-UHFFFAOYSA-N 1 0 345.512 3.522 50 0 EHAARO OCC1CC[NH+](Cc2cccc(NCc3cccc4[nH]ccc43)c2)CC1 ZINC000084374481 564067983 /nfs/dbraw/zinc/06/79/83/564067983.db2.gz CSHDZLJPMNURHO-UHFFFAOYSA-N 1 0 349.478 3.984 50 0 EHAARO O=C([C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1)N1CCCCC1 ZINC000084519357 564068415 /nfs/dbraw/zinc/06/84/15/564068415.db2.gz YULCXUABPQKFET-YADHBBJMSA-N 1 0 348.490 3.887 50 0 EHAARO O=C(N1CCC([NH2+]C2CCCC2)CC1)C1(Cc2ccccc2)CCC1 ZINC000084525694 564068547 /nfs/dbraw/zinc/06/85/47/564068547.db2.gz SNGVURPWWOASHJ-UHFFFAOYSA-N 1 0 340.511 3.923 50 0 EHAARO CC[C@H](C)c1ccc(NC(=O)[C@@H](C)NCC(C)(C)C[NH+](C)C)cc1 ZINC000006085818 564073745 /nfs/dbraw/zinc/07/37/45/564073745.db2.gz SACHYHKHZUGKQY-JKSUJKDBSA-N 1 0 333.520 3.705 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc(OC)c1O ZINC000015837187 564076445 /nfs/dbraw/zinc/07/64/45/564076445.db2.gz SXIPPPIDZBQMGM-INIZCTEOSA-N 1 0 331.387 3.886 50 0 EHAARO CC(C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C(C)C ZINC000075330280 564081879 /nfs/dbraw/zinc/08/18/79/564081879.db2.gz WHTHJJJRQSHYHN-UHFFFAOYSA-N 1 0 328.460 3.808 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cccs1)c1csc2ccccc21 ZINC000575619345 564083791 /nfs/dbraw/zinc/08/37/91/564083791.db2.gz JQJYUCDUWCLLKQ-CQSZACIVSA-N 1 0 330.478 3.996 50 0 EHAARO Brc1ccc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)o1 ZINC000190753451 564084107 /nfs/dbraw/zinc/08/41/07/564084107.db2.gz OIGSDCSPYGXESY-UHFFFAOYSA-N 1 0 346.228 3.577 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]CC2(c3cccc(F)c3)CCOCC2)s1 ZINC000090404393 564084402 /nfs/dbraw/zinc/08/44/02/564084402.db2.gz WHIJLXVRVWGSIS-ZDUSSCGKSA-N 1 0 334.460 3.990 50 0 EHAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1 ZINC000090801730 564086581 /nfs/dbraw/zinc/08/65/81/564086581.db2.gz UKYRPYRAXXZEAT-VQIMIIECSA-N 1 0 347.466 3.505 50 0 EHAARO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCC(F)(F)F ZINC000241338536 564088328 /nfs/dbraw/zinc/08/83/28/564088328.db2.gz MBMUSJSHTBPAGU-HALDLXJZSA-N 1 0 342.405 3.602 50 0 EHAARO COc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C(C)(C)C)c1OC ZINC000075584153 564089682 /nfs/dbraw/zinc/08/96/82/564089682.db2.gz JQJUMKLLRWNCIY-INIZCTEOSA-N 1 0 343.471 3.823 50 0 EHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000426395415 564093570 /nfs/dbraw/zinc/09/35/70/564093570.db2.gz RMGRDEWXRRWVBC-GOSISDBHSA-N 1 0 328.843 3.783 50 0 EHAARO Cc1cc(C(=O)NCc2ccccc2C[NH+](C)C)c2ccccc2n1 ZINC000006992693 564102700 /nfs/dbraw/zinc/10/27/00/564102700.db2.gz RXAAUVPDWTXVNZ-UHFFFAOYSA-N 1 0 333.435 3.535 50 0 EHAARO C[C@H](c1cccnc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000071819435 564111227 /nfs/dbraw/zinc/11/12/27/564111227.db2.gz VYLQBLPVNJVJBE-QGZVFWFLSA-N 1 0 332.451 3.509 50 0 EHAARO Cc1nc(C)c(C[NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)s1 ZINC000089623619 564112734 /nfs/dbraw/zinc/11/27/34/564112734.db2.gz HRUIDCJBJJPGPH-INIZCTEOSA-N 1 0 332.469 3.526 50 0 EHAARO Cc1csc(NC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)n1 ZINC000089705763 564113242 /nfs/dbraw/zinc/11/32/42/564113242.db2.gz WWPFDLHYIJYRJC-OAHLLOKOSA-N 1 0 336.505 3.618 50 0 EHAARO Brc1ccc(CN2CCC([NH2+]Cc3cc[nH]c3)CC2)cc1 ZINC000089787642 564113769 /nfs/dbraw/zinc/11/37/69/564113769.db2.gz YTCTXHAFNFFHTQ-UHFFFAOYSA-N 1 0 348.288 3.531 50 0 EHAARO O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000089834925 564114136 /nfs/dbraw/zinc/11/41/36/564114136.db2.gz UPKGNRFSSYIUCS-HXUWFJFHSA-N 1 0 346.434 3.680 50 0 EHAARO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000089885206 564114681 /nfs/dbraw/zinc/11/46/81/564114681.db2.gz RRPFUQYBRJXITG-YJBOKZPZSA-N 1 0 343.446 3.547 50 0 EHAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccc(Br)cc2)C1 ZINC000002822070 564116930 /nfs/dbraw/zinc/11/69/30/564116930.db2.gz CRDTXVYLNIOFSH-CQSZACIVSA-N 1 0 342.277 3.576 50 0 EHAARO Cc1sc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1-c1ccc(F)cc1 ZINC000237414521 564117739 /nfs/dbraw/zinc/11/77/39/564117739.db2.gz ADMVBPVUYGGBOK-IAQYHMDHSA-N 1 0 332.444 3.814 50 0 EHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000237420247 564117752 /nfs/dbraw/zinc/11/77/52/564117752.db2.gz VMGGYTPTGPIHIK-IAQYHMDHSA-N 1 0 348.368 3.723 50 0 EHAARO Cc1nc2ccc(N(C)C(=O)C[C@@H]([NH3+])c3ccccc3)cc2s1 ZINC000170682457 564121515 /nfs/dbraw/zinc/12/15/15/564121515.db2.gz BNMBYFCBIINAOI-OAHLLOKOSA-N 1 0 325.437 3.658 50 0 EHAARO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000253370348 564130337 /nfs/dbraw/zinc/13/03/37/564130337.db2.gz PQWPJGGHDZXASJ-WJPUGNRLSA-N 1 0 338.451 3.565 50 0 EHAARO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000253397418 564130535 /nfs/dbraw/zinc/13/05/35/564130535.db2.gz XBXOBYOAKIALQH-HZPDHXFCSA-N 1 0 327.476 3.553 50 0 EHAARO O[C@H](C[NH+]1CCC(c2nccs2)CC1)c1ccc(F)cc1Cl ZINC000253432096 564131885 /nfs/dbraw/zinc/13/18/85/564131885.db2.gz VTSSTZBBELHTOS-OAHLLOKOSA-N 1 0 340.851 3.849 50 0 EHAARO Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@@H]2O ZINC000013282290 564134044 /nfs/dbraw/zinc/13/40/44/564134044.db2.gz ZYISITHKPKHPKG-GOSISDBHSA-N 1 0 341.773 3.815 50 0 world EHAARO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2O)cc(C)c1OCc1ccccn1 ZINC000078724927 564136984 /nfs/dbraw/zinc/13/69/84/564136984.db2.gz WTFMVPZQWRASQP-VQTJNVASSA-N 1 0 340.467 3.671 50 0 EHAARO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccnc1C1CC1 ZINC000390833041 564138730 /nfs/dbraw/zinc/13/87/30/564138730.db2.gz BBQSIHALGLEHPH-UHFFFAOYSA-N 1 0 335.451 3.850 50 0 EHAARO Cc1ccccc1-c1nnc(SCc2ccnc(N(C)C)c2)n1C ZINC000390833657 564138818 /nfs/dbraw/zinc/13/88/18/564138818.db2.gz KYRPJUJYIATSBL-UHFFFAOYSA-N 1 0 339.468 3.544 50 0 EHAARO Cc1cc(C)n(C[C@@H](C)C[NH2+][C@H](c2ccccc2)c2ccccn2)n1 ZINC000095466213 564141067 /nfs/dbraw/zinc/14/10/67/564141067.db2.gz POCVITKHUARUBH-HRAATJIYSA-N 1 0 334.467 3.910 50 0 EHAARO C[C@H](c1ccccc1)N(CC1CC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095958173 564142598 /nfs/dbraw/zinc/14/25/98/564142598.db2.gz QBIAFLACXLVAPU-NSISKUIASA-N 1 0 341.499 3.796 50 0 EHAARO Cc1nccn1CCCC[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000095968503 564143169 /nfs/dbraw/zinc/14/31/69/564143169.db2.gz JYOBYPSIBKSNGE-UHFFFAOYSA-N 1 0 346.906 3.884 50 0 EHAARO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000095971784 564143428 /nfs/dbraw/zinc/14/34/28/564143428.db2.gz QZYJKRRQYOUOFT-HKBOAZHASA-N 1 0 341.543 3.893 50 0 EHAARO FC(F)(F)c1cccc([C@@H]([NH2+]Cc2cn3cccnc3n2)C2CC2)c1 ZINC000095987521 564143994 /nfs/dbraw/zinc/14/39/94/564143994.db2.gz UDWJRVIKSQZYJN-INIZCTEOSA-N 1 0 346.356 3.989 50 0 EHAARO Cc1csc([C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C2CC2)n1 ZINC000095988365 564144061 /nfs/dbraw/zinc/14/40/61/564144061.db2.gz WJXHXKZNNIGAKL-ZIAGYGMSSA-N 1 0 337.489 3.502 50 0 EHAARO CCc1noc(CC)c1C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000096479215 564148586 /nfs/dbraw/zinc/14/85/86/564148586.db2.gz ORVQPDFEBHJWQB-OAHLLOKOSA-N 1 0 330.428 3.812 50 0 EHAARO C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccncc1 ZINC000097038076 564149245 /nfs/dbraw/zinc/14/92/45/564149245.db2.gz AWQMWNRKIGAQIJ-BBWFWOEESA-N 1 0 325.456 3.864 50 0 EHAARO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)cn1 ZINC000097159817 564149439 /nfs/dbraw/zinc/14/94/39/564149439.db2.gz JZRXBSUXAPMJFZ-UHFFFAOYSA-N 1 0 348.406 3.527 50 0 EHAARO CC(=O)NC1CCC([NH2+]CC2(c3ccc(F)cc3Cl)CC2)CC1 ZINC000161739494 564149885 /nfs/dbraw/zinc/14/98/85/564149885.db2.gz WVDSNDIVJFJHAT-UHFFFAOYSA-N 1 0 338.854 3.548 50 0 EHAARO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccncc1 ZINC000002631318 564151472 /nfs/dbraw/zinc/15/14/72/564151472.db2.gz PRIFZQBWUJEIKT-QFBILLFUSA-N 1 0 342.483 3.778 50 0 EHAARO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000057869562 564156267 /nfs/dbraw/zinc/15/62/67/564156267.db2.gz INHUNAXQXDQXTD-LBPRGKRZSA-N 1 0 337.250 3.960 50 0 EHAARO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(c4cc[nH]n4)CC3)o2)c1 ZINC000058208460 564158065 /nfs/dbraw/zinc/15/80/65/564158065.db2.gz IDRCORAEQVFTET-AWEZNQCLSA-N 1 0 337.427 3.709 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000008394283 564165076 /nfs/dbraw/zinc/16/50/76/564165076.db2.gz WAUVNKJYZMPVJR-STQMWFEESA-N 1 0 332.271 3.998 50 0 EHAARO CCc1nnsc1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000040119471 564168182 /nfs/dbraw/zinc/16/81/82/564168182.db2.gz GDWBHPYNBMMMAR-ZDUSSCGKSA-N 1 0 344.484 3.727 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)[C@H](C)n1cccn1 ZINC000069414454 564169210 /nfs/dbraw/zinc/16/92/10/564169210.db2.gz HUALFRVBHMUZGI-SJORKVTESA-N 1 0 336.439 3.596 50 0 EHAARO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000069435205 564169458 /nfs/dbraw/zinc/16/94/58/564169458.db2.gz YAFQCTJCUZSRRZ-AWEZNQCLSA-N 1 0 342.468 3.825 50 0 EHAARO C[NH+](C)CCc1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1 ZINC000069444249 564169530 /nfs/dbraw/zinc/16/95/30/564169530.db2.gz NAYFHMXTNVMWCD-UHFFFAOYSA-N 1 0 349.434 3.627 50 0 EHAARO Cc1ccccc1[C@@H]1CC[N@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000069625992 564171016 /nfs/dbraw/zinc/17/10/16/564171016.db2.gz ZMVKBDWLRLBTSP-OAHLLOKOSA-N 1 0 336.464 3.898 50 0 EHAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000069894976 564172721 /nfs/dbraw/zinc/17/27/21/564172721.db2.gz KBIAUKMTYOKFJC-HNNXBMFYSA-N 1 0 328.441 3.573 50 0 EHAARO Brc1cccc(C[NH2+]Cc2ccc(C3OCCO3)cc2)c1 ZINC000069979124 564173055 /nfs/dbraw/zinc/17/30/55/564173055.db2.gz CXCWLHCKMSVOHJ-UHFFFAOYSA-N 1 0 348.240 3.784 50 0 EHAARO COCCCn1c(C)cnc1[C@H]1CC[N@H+](Cc2sccc2C)C1 ZINC000169788034 1032652801 /nfs/dbraw/zinc/65/28/01/1032652801.db2.gz DAJLCQPAGYJBMN-INIZCTEOSA-N 1 0 333.501 3.587 50 0 EHAARO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1nc2ccccc2c(=O)n1C ZINC000194116996 1023145443 /nfs/dbraw/zinc/14/54/43/1023145443.db2.gz VDLCKWJXQFSAMT-INIZCTEOSA-N 1 0 347.462 3.734 50 0 EHAARO c1cc(-c2nc(CO[C@H]3CCC[N@H+](CC4CCCCC4)C3)no2)co1 ZINC000257175964 1034666540 /nfs/dbraw/zinc/66/65/40/1034666540.db2.gz ACUDOGKKUCZSHT-KRWDZBQOSA-N 1 0 345.443 3.891 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000581808866 1038689065 /nfs/dbraw/zinc/68/90/65/1038689065.db2.gz VJGQOLPQFMITJX-UHFFFAOYSA-N 1 0 330.476 3.748 50 0 EHAARO O=C(NCc1ccc(F)cc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000348509151 1041154470 /nfs/dbraw/zinc/15/44/70/1041154470.db2.gz GRBIBSORECZPLH-UHFFFAOYSA-N 1 0 344.405 3.881 50 0 EHAARO CN1CCC([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000354973012 1127215910 /nfs/dbraw/zinc/21/59/10/1127215910.db2.gz VXEAFSPENHNAEL-IBGZPJMESA-N 1 0 329.875 3.703 50 0 EHAARO COc1cccc(CN(CC[NH+](C)C)Cc2ncc(C(C)C)s2)c1 ZINC000349420865 1128486781 /nfs/dbraw/zinc/48/67/81/1128486781.db2.gz SHAJSVFLVOOXQM-UHFFFAOYSA-N 1 0 347.528 3.839 50 0 EHAARO CCC[C@@H](CNC(=O)c1cccc(-c2ccc(OC)cc2)c1)[NH+](C)C ZINC000822790896 1131016808 /nfs/dbraw/zinc/01/68/08/1131016808.db2.gz ILGAQPZXJCJPOY-IBGZPJMESA-N 1 0 340.467 3.822 50 0 EHAARO CC[C@@H](C(=O)N(Cc1ccccc1)Cc1ncccc1C)[N@H+](C)CC ZINC000823061320 1131036275 /nfs/dbraw/zinc/03/62/75/1131036275.db2.gz OGBKWHALINULEO-FQEVSTJZSA-N 1 0 339.483 3.649 50 0 EHAARO C[C@H](c1cccc(CN2CCN(Cc3cccs3)CC2)c1)[NH+](C)C ZINC000823648985 1131073694 /nfs/dbraw/zinc/07/36/94/1131073694.db2.gz MXFZMXGMLZFTPB-QGZVFWFLSA-N 1 0 343.540 3.689 50 0 EHAARO Cc1cnc(C[C@H]2CC[N@@H+](Cc3cccn3C)C2)n1Cc1ccccc1 ZINC000575546646 1131572245 /nfs/dbraw/zinc/57/22/45/1131572245.db2.gz RYGDNQQALKNSPU-HXUWFJFHSA-N 1 0 348.494 3.643 50 0 EHAARO CO[C@@H]1CN(c2cccc(F)c2)C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000575552623 1131573155 /nfs/dbraw/zinc/57/31/55/1131573155.db2.gz GGNPSYDBHZWPGG-LJQANCHMSA-N 1 0 344.430 3.597 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)C1(c2ccccc2)CCCC1 ZINC000581812971 1132365797 /nfs/dbraw/zinc/36/57/97/1132365797.db2.gz ACPVENMYAKZSCP-UHFFFAOYSA-N 1 0 337.467 3.697 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581805789 1132367379 /nfs/dbraw/zinc/36/73/79/1132367379.db2.gz FVXMPSFDEKMUFW-GOSISDBHSA-N 1 0 338.455 3.616 50 0 EHAARO CCC(=O)N(Cc1ccc(CC2CC[NH+](C)CC2)cc1)CC1CC1 ZINC000581810240 1132370579 /nfs/dbraw/zinc/37/05/79/1132370579.db2.gz IBYVHLUKCYCDDA-UHFFFAOYSA-N 1 0 328.500 3.720 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000581808323 1132371402 /nfs/dbraw/zinc/37/14/02/1132371402.db2.gz NVROEPHYWTULQI-UHFFFAOYSA-N 1 0 337.467 3.930 50 0 EHAARO CC(C)CC(=O)N1CCOc2ccc(C[NH+]3CCCCCC3)cc2C1 ZINC000581819989 1132375677 /nfs/dbraw/zinc/37/56/77/1132375677.db2.gz KAUJKTCQPNBNRZ-UHFFFAOYSA-N 1 0 344.499 3.830 50 0 EHAARO C[NH+](C)CCOc1ccc(-c2noc([C@@H]3CCC(F)(F)C3)n2)cc1 ZINC000585084027 1136971944 /nfs/dbraw/zinc/97/19/44/1136971944.db2.gz GQUPLPSHDNENMB-CYBMUJFWSA-N 1 0 337.370 3.580 50 0 EHAARO Cc1ncc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)o1 ZINC000862252007 1137479593 /nfs/dbraw/zinc/47/95/93/1137479593.db2.gz AUAOJRSYOCEMJQ-JOCHJYFZSA-N 1 0 348.446 3.819 50 0 EHAARO Clc1ccc2c(c1)CN(C1CC[NH+](Cc3ccco3)CC1)CCO2 ZINC000952966159 1137484089 /nfs/dbraw/zinc/48/40/89/1137484089.db2.gz GDGSRZXFDIBATM-UHFFFAOYSA-N 1 0 346.858 3.792 50 0 EHAARO Cn1ccc2cc(C[NH2+][C@H]3CCCN(Cc4cccc(O)c4)C3)ccc21 ZINC000952967463 1137484962 /nfs/dbraw/zinc/48/49/62/1137484962.db2.gz BLLNTMPIVJAKAG-FQEVSTJZSA-N 1 0 349.478 3.638 50 0 EHAARO C[C@H](C[N@H+](C)Cc1ccc(C2CCCCC2)s1)N1CCOCC1 ZINC000952989187 1137485743 /nfs/dbraw/zinc/48/57/43/1137485743.db2.gz VNXHLBQOEGIKJN-MRXNPFEDSA-N 1 0 336.545 3.948 50 0 EHAARO O=C(C(c1ccccc1)c1ccccc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827654468 1139882547 /nfs/dbraw/zinc/88/25/47/1139882547.db2.gz QGUBBULVPQEZSL-UHFFFAOYSA-N 1 0 348.490 3.905 50 0 EHAARO CN1CCN([C@H]2CC[N@H+](Cc3ccc(C4CCCCC4)s3)C2)CC1 ZINC000097654200 219044209 /nfs/dbraw/zinc/04/42/09/219044209.db2.gz OMNUJLIHFVINGN-SFHVURJKSA-N 1 0 347.572 3.618 50 0 EHAARO O=C(C1CC[NH+](Cc2cccs2)CC1)N1CCc2ccccc2C1 ZINC000004725559 210260967 /nfs/dbraw/zinc/26/09/67/210260967.db2.gz PPTQAHDZYBHSJC-UHFFFAOYSA-N 1 0 340.492 3.545 50 0 EHAARO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803865 214146650 /nfs/dbraw/zinc/14/66/50/214146650.db2.gz AGEQNJHVJLUIKM-CZUORRHYSA-N 1 0 346.521 3.920 50 0 EHAARO CC1(C)CC(NC(=O)Nc2cccc3cccnc32)CC(C)(C)[NH2+]1 ZINC000053954874 214208150 /nfs/dbraw/zinc/20/81/50/214208150.db2.gz XCFJAJCVOGORMG-UHFFFAOYSA-N 1 0 326.444 3.666 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1cccs1)Cc1cccc(-n2cccn2)c1 ZINC000055091028 214272493 /nfs/dbraw/zinc/27/24/93/214272493.db2.gz VWWKYLCIWSMXSP-KRWDZBQOSA-N 1 0 341.480 3.707 50 0 EHAARO CCc1oc(C(=O)N(C)[C@H](C)c2nccs2)cc1C[NH+](CC)CC ZINC000055341955 214310604 /nfs/dbraw/zinc/31/06/04/214310604.db2.gz MZECWPSDNJWFSE-CYBMUJFWSA-N 1 0 349.500 3.974 50 0 EHAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)/C=C\c1cc2ccccc2o1 ZINC000098055211 219075215 /nfs/dbraw/zinc/07/52/15/219075215.db2.gz FYYXPJOZBQUVEH-SBKIPFDTSA-N 1 0 326.440 3.683 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)cc2)N3)C1 ZINC000004555608 210220813 /nfs/dbraw/zinc/22/08/13/210220813.db2.gz GZRMWNYCEIEVBH-MRXNPFEDSA-N 1 0 343.452 3.564 50 0 EHAARO COc1ccc(-c2cc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000004542893 210217727 /nfs/dbraw/zinc/21/77/27/210217727.db2.gz KWCNMDPYNBVKML-UHFFFAOYSA-N 1 0 333.435 3.662 50 0 EHAARO CC1CC[NH+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000004159351 210134980 /nfs/dbraw/zinc/13/49/80/210134980.db2.gz HLWGQPDMRUMUBC-KGMASTOKSA-N 1 0 335.532 3.702 50 0 EHAARO CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000003349374 210015688 /nfs/dbraw/zinc/01/56/88/210015688.db2.gz IXCXLGDLLRCSKO-MJGOQNOKSA-N 1 0 327.468 3.943 50 0 EHAARO Cc1cccc(NC(=O)C[NH2+]CCc2ccc(C(F)(F)F)cc2)c1 ZINC000003338887 210012005 /nfs/dbraw/zinc/01/20/05/210012005.db2.gz CHZUADIJBNBTBY-UHFFFAOYSA-N 1 0 336.357 3.785 50 0 EHAARO O[C@H](C[NH2+]Cc1csc(-c2ccsc2)n1)c1ccccc1F ZINC000067216451 215124828 /nfs/dbraw/zinc/12/48/28/215124828.db2.gz CITCBHPWBZJTBS-OAHLLOKOSA-N 1 0 334.441 3.834 50 0 EHAARO CCCC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(C)cc(C)c3)C2)C1 ZINC000067447232 215147421 /nfs/dbraw/zinc/14/74/21/215147421.db2.gz DVZZZIBJKFTFON-OAQYLSRUSA-N 1 0 328.500 3.918 50 0 EHAARO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000067559246 215161944 /nfs/dbraw/zinc/16/19/44/215161944.db2.gz TUQIBHIHSGGTIV-OAHLLOKOSA-N 1 0 325.412 3.552 50 0 EHAARO c1ccc(C(CCNc2ncnc3c2CC[NH2+]C3)c2ccccc2)cc1 ZINC000067650757 215173703 /nfs/dbraw/zinc/17/37/03/215173703.db2.gz BJMBFFRVZNBSRH-UHFFFAOYSA-N 1 0 344.462 3.756 50 0 EHAARO CC[C@@H](O)C[N@@H+]1CCOc2c(cc(-c3ccc(C)s3)cc2OC)C1 ZINC000067696229 215189600 /nfs/dbraw/zinc/18/96/00/215189600.db2.gz UXCRMKHNMFAZGK-MRXNPFEDSA-N 1 0 347.480 3.697 50 0 EHAARO CC(C)(C)c1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC(C)(C)C2)n1 ZINC000067714022 215192752 /nfs/dbraw/zinc/19/27/52/215192752.db2.gz AWXJXPBMUIDDMW-UHFFFAOYSA-N 1 0 339.483 3.966 50 0 EHAARO Oc1cccc2ccc(C[N@@H+]3CCC[C@@H](OCc4cccnc4)C3)nc12 ZINC000067894847 215244450 /nfs/dbraw/zinc/24/44/50/215244450.db2.gz FRPXPKHQWNOGOG-LJQANCHMSA-N 1 0 349.434 3.517 50 0 EHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C)c(C)o2)c(OC)c1C ZINC000067964945 215260798 /nfs/dbraw/zinc/26/07/98/215260798.db2.gz KZMYFSLQBJMDDF-LBPRGKRZSA-N 1 0 330.428 3.960 50 0 EHAARO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000040566550 213352701 /nfs/dbraw/zinc/35/27/01/213352701.db2.gz XXPJRAVPVRZQPZ-UHFFFAOYSA-N 1 0 330.472 3.910 50 0 EHAARO C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000040141908 213272053 /nfs/dbraw/zinc/27/20/53/213272053.db2.gz YSXYSFVUGHAGII-PBHICJAKSA-N 1 0 348.537 3.789 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(F)c(F)c1F)c1ccsc1 ZINC000040097354 213263358 /nfs/dbraw/zinc/26/33/58/213263358.db2.gz NHHQFEOPHSCEKQ-GFCCVEGCSA-N 1 0 343.374 3.590 50 0 EHAARO CN(Cc1ccsc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000040016108 213249750 /nfs/dbraw/zinc/24/97/50/213249750.db2.gz ZYLUEZOBZUMHIE-MRXNPFEDSA-N 1 0 347.484 3.710 50 0 EHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1F ZINC000038584946 213215847 /nfs/dbraw/zinc/21/58/47/213215847.db2.gz OMUGZGHFCCBFFL-UHFFFAOYSA-N 1 0 347.459 3.921 50 0 EHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3ccc(C)cc3)c2)CC1 ZINC000037553886 213156586 /nfs/dbraw/zinc/15/65/86/213156586.db2.gz WKVDBVAVQNIIQY-UHFFFAOYSA-N 1 0 338.451 3.832 50 0 EHAARO CC[NH+](CC)CCNc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000036613492 213101896 /nfs/dbraw/zinc/10/18/96/213101896.db2.gz ZGQXDJNIOVPJIN-UHFFFAOYSA-N 1 0 338.377 3.916 50 0 EHAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000036103084 213067657 /nfs/dbraw/zinc/06/76/57/213067657.db2.gz DYSMTKSLBBGUQY-GOSISDBHSA-N 1 0 331.431 3.784 50 0 EHAARO CC(C)OC[C@@H](O)C[N@H+](Cc1cccs1)Cc1ccc(F)cc1 ZINC000036103513 213066485 /nfs/dbraw/zinc/06/64/85/213066485.db2.gz KSFHUSZMMUAVQX-KRWDZBQOSA-N 1 0 337.460 3.675 50 0 EHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cc(C)ccc1C)[C@@H](C)CC ZINC000036031953 213057586 /nfs/dbraw/zinc/05/75/86/213057586.db2.gz AMJPXWUZBPWAJA-HKUYNNGSSA-N 1 0 335.488 3.608 50 0 EHAARO Clc1ccc(OCCCCCN2CC[NH2+]CC2)c2ccccc12 ZINC000035606281 213041523 /nfs/dbraw/zinc/04/15/23/213041523.db2.gz MUPMUQABVLQPGF-UHFFFAOYSA-N 1 0 332.875 3.948 50 0 EHAARO Cc1c(CNC(=O)c2ccc([C@H]3CC[NH2+]C3)cc2)oc2ccccc12 ZINC000072129016 216018795 /nfs/dbraw/zinc/01/87/95/216018795.db2.gz WQKKXTHADLGNOQ-KRWDZBQOSA-N 1 0 334.419 3.748 50 0 EHAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4cccc5nonc54)CC3)nc21 ZINC000072151000 216039855 /nfs/dbraw/zinc/03/98/55/216039855.db2.gz INROGIBEVIYWAE-UHFFFAOYSA-N 1 0 347.422 3.787 50 0 EHAARO Cn1ncc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)c1C1CC1 ZINC000072150017 216037937 /nfs/dbraw/zinc/03/79/37/216037937.db2.gz KOAGHIMUMBPDMO-HNNXBMFYSA-N 1 0 343.446 3.728 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2cccc(OC(F)F)c2)C1 ZINC000072154808 216043342 /nfs/dbraw/zinc/04/33/42/216043342.db2.gz YEFVLFJXUHFRAA-INIZCTEOSA-N 1 0 326.431 3.840 50 0 EHAARO C[NH+](C)CCNc1cc(-c2ccc3ccccc3n2)c2cc[nH]c2n1 ZINC000072167600 216057599 /nfs/dbraw/zinc/05/75/99/216057599.db2.gz YCPVPYOQNOQIRV-UHFFFAOYSA-N 1 0 331.423 3.752 50 0 EHAARO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000072173770 216063396 /nfs/dbraw/zinc/06/33/96/216063396.db2.gz DVNJXZIOWLDESY-UHFFFAOYSA-N 1 0 343.434 3.690 50 0 EHAARO C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000072285952 216116780 /nfs/dbraw/zinc/11/67/80/216116780.db2.gz XNEFUUNKYWTMID-INIZCTEOSA-N 1 0 329.469 3.572 50 0 EHAARO CCN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[C@H](C)c1cccnc1 ZINC000072286304 216118075 /nfs/dbraw/zinc/11/80/75/216118075.db2.gz GYOKXRYUFMEONL-RHSMWYFYSA-N 1 0 346.500 3.539 50 0 EHAARO COCCNC(=O)c1sc2ccccc2c1C1CCC(C[NH3+])CC1 ZINC000072345874 216159024 /nfs/dbraw/zinc/15/90/24/216159024.db2.gz KZWPUHZWIDLPFJ-UHFFFAOYSA-N 1 0 346.496 3.510 50 0 EHAARO CC1(C)CC(NC(=S)Nc2cccc(Cl)c2)CC(C)(C)[NH2+]1 ZINC000000173164 209463400 /nfs/dbraw/zinc/46/34/00/209463400.db2.gz QCGOLMBBNCHVFF-UHFFFAOYSA-N 1 0 325.909 3.936 50 0 EHAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCc3[nH]nc(C4CC4)c3C2)cc1 ZINC000072422091 216209773 /nfs/dbraw/zinc/20/97/73/216209773.db2.gz VVVNFUFRJYMFOE-UHFFFAOYSA-N 1 0 339.483 3.549 50 0 EHAARO c1ccc(CC[N@@H+]2CCC[C@@H](Nc3cnc4ccccc4n3)C2)cc1 ZINC000072426934 216218066 /nfs/dbraw/zinc/21/80/66/216218066.db2.gz ZAZQRFOSGIPHLQ-GOSISDBHSA-N 1 0 332.451 3.749 50 0 EHAARO CC(C)Cc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072428236 216218649 /nfs/dbraw/zinc/21/86/49/216218649.db2.gz XYFIVIVXGUDJSA-UHFFFAOYSA-N 1 0 329.875 3.998 50 0 EHAARO Cc1cccc(OC2CC[NH+](Cc3cnn(C)c3C3CC3)CC2)c1 ZINC000072474102 216251218 /nfs/dbraw/zinc/25/12/18/216251218.db2.gz QPOSOGOGOLRTKB-UHFFFAOYSA-N 1 0 325.456 3.649 50 0 EHAARO Cc1ncc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)s1 ZINC000023358238 212370796 /nfs/dbraw/zinc/37/07/96/212370796.db2.gz GNKRLCGGZMEKFP-GOSISDBHSA-N 1 0 329.513 3.590 50 0 EHAARO C[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H](O)c1ccccc1 ZINC000023280979 212366858 /nfs/dbraw/zinc/36/68/58/212366858.db2.gz UCOVVUJHUBIZDM-MRXNPFEDSA-N 1 0 338.220 3.754 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccccc1Cl ZINC000023128026 212352188 /nfs/dbraw/zinc/35/21/88/212352188.db2.gz HNVVJNGMLQAWRN-UHFFFAOYSA-N 1 0 332.831 3.575 50 0 EHAARO C[C@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](C2CCCCC2)CC1 ZINC000022939152 212337338 /nfs/dbraw/zinc/33/73/38/212337338.db2.gz HYVDNGDWGMGRNU-MRXNPFEDSA-N 1 0 339.483 3.689 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000022793181 212325328 /nfs/dbraw/zinc/32/53/28/212325328.db2.gz WRFDKPFQMVUCQN-UHFFFAOYSA-N 1 0 329.440 3.927 50 0 EHAARO Cc1ccoc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022681012 212316202 /nfs/dbraw/zinc/31/62/02/212316202.db2.gz JIZPEPYSLJGTLE-OAHLLOKOSA-N 1 0 332.469 3.853 50 0 EHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000215029171 241103137 /nfs/dbraw/zinc/10/31/37/241103137.db2.gz VMRBTNMEAIZQQU-HXUWFJFHSA-N 1 0 334.423 3.613 50 0 EHAARO Cc1ccc(C)c(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@@H]2c2cccs2)c1 ZINC000227150492 242121493 /nfs/dbraw/zinc/12/14/93/242121493.db2.gz HQXXJXUBJQJMPH-CVEARBPZSA-N 1 0 343.496 3.832 50 0 EHAARO Brc1ccccc1C[NH2+]Cc1ccc2nccnc2c1 ZINC000021635832 212236421 /nfs/dbraw/zinc/23/64/21/212236421.db2.gz LBKNUNOQCYUNRN-UHFFFAOYSA-N 1 0 328.213 3.682 50 0 EHAARO COc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170749 212214045 /nfs/dbraw/zinc/21/40/45/212214045.db2.gz RNVQKQFLYDAFDC-IBGZPJMESA-N 1 0 344.499 3.956 50 0 EHAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)Nc3ccccc3F)C2)cc1 ZINC000020889901 212181624 /nfs/dbraw/zinc/18/16/24/212181624.db2.gz ZPWSEUPNCAUIDX-QGZVFWFLSA-N 1 0 341.430 3.778 50 0 EHAARO CSc1ccc(C[NH2+]C[C@@]2(c3cccc(F)c3)CCOC2)cc1 ZINC000020906493 212185555 /nfs/dbraw/zinc/18/55/55/212185555.db2.gz GTQTZFAFQKGDCM-IBGZPJMESA-N 1 0 331.456 3.996 50 0 EHAARO C[N@H+](CCc1cn[nH]c1)Cc1c[nH]nc1-c1cccc2ccccc21 ZINC000020780845 212172799 /nfs/dbraw/zinc/17/27/99/212172799.db2.gz ANWALLYGNFVZMA-UHFFFAOYSA-N 1 0 331.423 3.628 50 0 EHAARO CC[N@@H+](Cc1cncn1C1CCCCC1)C[C@@H](O)c1cccc(O)c1 ZINC000244742276 243071620 /nfs/dbraw/zinc/07/16/20/243071620.db2.gz OETPFWIMEPFBTQ-HXUWFJFHSA-N 1 0 343.471 3.649 50 0 EHAARO CN(C)CC[NH2+]CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000020548613 212147120 /nfs/dbraw/zinc/14/71/20/212147120.db2.gz KRSFVMWBUGYVDM-WOJBJXKFSA-N 1 0 332.532 3.592 50 0 EHAARO CC(C)(C)c1ccc(-c2n[nH]c3c2C[N@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000020535852 212144752 /nfs/dbraw/zinc/14/47/52/212144752.db2.gz RZOZSDKEHFTDMN-HNNXBMFYSA-N 1 0 339.483 3.769 50 0 EHAARO C[C@@H]1C[NH+](CCCCOc2ccccc2Br)C[C@@H](C)O1 ZINC000020166958 212108435 /nfs/dbraw/zinc/10/84/35/212108435.db2.gz FIPKWASTKUDGBW-ZIAGYGMSSA-N 1 0 342.277 3.717 50 0 EHAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000078656943 217096647 /nfs/dbraw/zinc/09/66/47/217096647.db2.gz AKOPTHHJQHUCFH-OAQYLSRUSA-N 1 0 333.435 3.922 50 0 EHAARO CCN(C(=O)Nc1cc(C)on1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000079021034 217175362 /nfs/dbraw/zinc/17/53/62/217175362.db2.gz SEIJBWYOPXOABA-DOTOQJQBSA-N 1 0 342.443 3.672 50 0 EHAARO C[C@H]1CCC[N@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000012494814 211393392 /nfs/dbraw/zinc/39/33/92/211393392.db2.gz HJNSVKDBEAPXGV-GHTZIAJQSA-N 1 0 339.479 3.885 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)C1=CCCCC1 ZINC000012479720 211392104 /nfs/dbraw/zinc/39/21/04/211392104.db2.gz YOXDMGHZAOCJQA-FQEVSTJZSA-N 1 0 326.484 3.700 50 0 EHAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)c(C)c2)oc1C ZINC000012458120 211387961 /nfs/dbraw/zinc/38/79/61/211387961.db2.gz ORDKWIFDDVEYBN-QGZVFWFLSA-N 1 0 344.455 3.968 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)[C@@H](CC)C1 ZINC000089948894 217894082 /nfs/dbraw/zinc/89/40/82/217894082.db2.gz JCTAEAFBGUJITN-BBRMVZONSA-N 1 0 326.843 3.606 50 0 EHAARO OCc1ccc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3F)C2)o1 ZINC000012302391 211340215 /nfs/dbraw/zinc/34/02/15/211340215.db2.gz XAMJDVBVVACBGF-CQSZACIVSA-N 1 0 335.394 3.895 50 0 EHAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)cn1 ZINC000012073492 211285683 /nfs/dbraw/zinc/28/56/83/211285683.db2.gz UOCAFXNMIYTDTM-SFHVURJKSA-N 1 0 339.483 3.813 50 0 EHAARO O=C1N(CC2CCCCC2)CCC[C@@]12CC[N@H+](Cc1ccco1)C2 ZINC000012057695 211284964 /nfs/dbraw/zinc/28/49/64/211284964.db2.gz ZKFVMTFCQUTPTQ-FQEVSTJZSA-N 1 0 330.472 3.674 50 0 EHAARO OC[C@@]1(CC2CC2)CCC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000091390724 218000258 /nfs/dbraw/zinc/00/02/58/218000258.db2.gz DIKZIKNVXAATJE-HXUWFJFHSA-N 1 0 331.504 3.763 50 0 EHAARO Cc1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)n1 ZINC000011661955 211229580 /nfs/dbraw/zinc/22/95/80/211229580.db2.gz AHVVDVBCPJGARC-HXUWFJFHSA-N 1 0 330.520 3.586 50 0 EHAARO C[N@@H+]1CCC[C@@H]1CCn1cc(-c2cccc(Cl)c2Cl)nn1 ZINC000092037582 218107390 /nfs/dbraw/zinc/10/73/90/218107390.db2.gz JKSJISVVQODKHM-LLVKDONJSA-N 1 0 325.243 3.736 50 0 EHAARO CCC[N@H+](Cc1cc(C(N)=O)cs1)[C@H]1CCc2ccccc2C1 ZINC000092438398 218141351 /nfs/dbraw/zinc/14/13/51/218141351.db2.gz JNDJZCFXDPSHNR-KRWDZBQOSA-N 1 0 328.481 3.617 50 0 EHAARO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc([S@](C)=O)cc2)c1 ZINC000093512935 218228213 /nfs/dbraw/zinc/22/82/13/218228213.db2.gz ZVQVVNFIOLFELW-HYBUGGRVSA-N 1 0 342.508 3.827 50 0 EHAARO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000009534509 211099943 /nfs/dbraw/zinc/09/99/43/211099943.db2.gz SIQQDELLVWJQDT-LLVKDONJSA-N 1 0 336.794 3.605 50 0 EHAARO c1nc(-c2cccnc2)sc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000093704983 218243489 /nfs/dbraw/zinc/24/34/89/218243489.db2.gz LGEBONNNVGOHBI-UHFFFAOYSA-N 1 0 343.496 3.844 50 0 EHAARO COc1ccccc1OCC[N@@H+]1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095363720 218296885 /nfs/dbraw/zinc/29/68/85/218296885.db2.gz NHQLUZNIKDCMNK-KRWDZBQOSA-N 1 0 343.471 3.731 50 0 EHAARO Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc1 ZINC000095382144 218314344 /nfs/dbraw/zinc/31/43/44/218314344.db2.gz CKCGHBZWSKSZCQ-TZIWHRDSSA-N 1 0 334.463 3.732 50 0 EHAARO c1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000095394647 218326418 /nfs/dbraw/zinc/32/64/18/218326418.db2.gz KIKSVNLGPSUYMA-MRXNPFEDSA-N 1 0 347.466 3.937 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2ccsc2)cc1Cn1cccn1 ZINC000095420298 218360664 /nfs/dbraw/zinc/36/06/64/218360664.db2.gz GYEPROLLRNQHPX-AWEZNQCLSA-N 1 0 327.453 3.852 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cn3ccsc3n2)c(C)c1 ZINC000095421025 218361888 /nfs/dbraw/zinc/36/18/88/218361888.db2.gz BJGAKJOIQNSYOP-AWEZNQCLSA-N 1 0 342.468 3.520 50 0 EHAARO C[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)c1cccs1 ZINC000095421593 218363443 /nfs/dbraw/zinc/36/34/43/218363443.db2.gz ASTRNCDSJKCRTQ-NFOMZHRRSA-N 1 0 338.542 3.533 50 0 EHAARO Cc1ccc([C@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)s1 ZINC000095421735 218363722 /nfs/dbraw/zinc/36/37/22/218363722.db2.gz LTICTGBJWWXOFW-HKUYNNGSSA-N 1 0 343.540 3.696 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)s1 ZINC000095421734 218363784 /nfs/dbraw/zinc/36/37/84/218363784.db2.gz LTICTGBJWWXOFW-MJGOQNOKSA-N 1 0 343.540 3.696 50 0 EHAARO Fc1ccc([C@H]([NH2+]C2CCN(Cc3cccnc3)CC2)C2CC2)cc1 ZINC000095422195 218364068 /nfs/dbraw/zinc/36/40/68/218364068.db2.gz NNARPFHJZSHNQJ-OAQYLSRUSA-N 1 0 339.458 3.926 50 0 EHAARO CSc1ccc(C[NH2+]Cc2cnc3nc(C)cc(C)n23)cc1C ZINC000095430378 218373639 /nfs/dbraw/zinc/37/36/39/218373639.db2.gz LFVFNYFHXMZLKC-UHFFFAOYSA-N 1 0 326.469 3.666 50 0 EHAARO Cc1cc([C@@H]2CCCCN2C(=O)CC2CC[NH+](C(C)C)CC2)no1 ZINC000095519800 218425822 /nfs/dbraw/zinc/42/58/22/218425822.db2.gz XPTQDSIDIUPFGU-SFHVURJKSA-N 1 0 333.476 3.547 50 0 EHAARO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccccn3)ccc2NC1=O ZINC000095980747 218486321 /nfs/dbraw/zinc/48/63/21/218486321.db2.gz SQYLHKUKPPKKTO-DCGLDWPTSA-N 1 0 325.412 3.603 50 0 EHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(F)cc1F ZINC000006579031 210657296 /nfs/dbraw/zinc/65/72/96/210657296.db2.gz DCILHAOJRSPDGT-UHFFFAOYSA-N 1 0 336.426 3.883 50 0 EHAARO C[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl ZINC000005524870 210482476 /nfs/dbraw/zinc/48/24/76/210482476.db2.gz UXHGLFZWHNSTGF-AWEZNQCLSA-N 1 0 333.284 3.519 50 0 EHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccc(C)cc1 ZINC000005019357 210364022 /nfs/dbraw/zinc/36/40/22/210364022.db2.gz GYVPYNSQDOKYOU-LJQANCHMSA-N 1 0 341.451 3.851 50 0 EHAARO Cc1cc(Cl)cc(Br)c1OCC[NH2+]C[C@H]1CCCO1 ZINC000004870153 210307854 /nfs/dbraw/zinc/30/78/54/210307854.db2.gz DQOZTKHUZLYITD-GFCCVEGCSA-N 1 0 348.668 3.558 50 0 EHAARO O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000408524637 257977314 /nfs/dbraw/zinc/97/73/14/257977314.db2.gz WYPOKULIKWWAAL-CQSZACIVSA-N 1 0 344.402 3.764 50 0 EHAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000299785235 258092655 /nfs/dbraw/zinc/09/26/55/258092655.db2.gz JXWWOTTZZUOZMH-PBHICJAKSA-N 1 0 342.414 3.576 50 0 EHAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000299790702 258096183 /nfs/dbraw/zinc/09/61/83/258096183.db2.gz CEYLAGPVOFWSSL-QGZVFWFLSA-N 1 0 330.435 3.981 50 0 EHAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)Nc1cccnc1Cl ZINC000299792753 258098194 /nfs/dbraw/zinc/09/81/94/258098194.db2.gz FQBFGSGZAHXAIE-ZDUSSCGKSA-N 1 0 336.867 3.511 50 0 EHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 ZINC000004553988 258051145 /nfs/dbraw/zinc/05/11/45/258051145.db2.gz QWFWXHNTTBPADI-MRXNPFEDSA-N 1 0 343.452 3.649 50 0 EHAARO Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2NCCC[NH+](C)C ZINC000040216917 258059728 /nfs/dbraw/zinc/05/97/28/258059728.db2.gz ICFOPUPXHOGZQC-UHFFFAOYSA-N 1 0 337.471 3.685 50 0 EHAARO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000044934121 258060174 /nfs/dbraw/zinc/06/01/74/258060174.db2.gz PNLNJYNFNCXKDL-MRXNPFEDSA-N 1 0 340.442 3.915 50 0 EHAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000055060540 258061156 /nfs/dbraw/zinc/06/11/56/258061156.db2.gz XCVIIUDAWVSNFY-MRXNPFEDSA-N 1 0 345.892 3.583 50 0 EHAARO CC(C)c1nccc(CN2CCC[C@@H](C(=O)Cc3ccccc3)C2)n1 ZINC000072477927 258064874 /nfs/dbraw/zinc/06/48/74/258064874.db2.gz FLOMFFMBHIWSHD-GOSISDBHSA-N 1 0 337.467 3.624 50 0 EHAARO COc1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1Br ZINC000052178159 262513279 /nfs/dbraw/zinc/51/32/79/262513279.db2.gz PJAOPVHGBVUXQT-NSHDSACASA-N 1 0 328.250 3.535 50 0 EHAARO COc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1NC(C)=O ZINC000129584004 533703227 /nfs/dbraw/zinc/70/32/27/533703227.db2.gz MVPUGKRPNYKDOT-KBPBESRZSA-N 1 0 344.377 3.864 50 0 EHAARO O=C(NCCCc1ccc(F)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044906548 518199642 /nfs/dbraw/zinc/19/96/42/518199642.db2.gz VLKGWMQJOVZGMD-UHFFFAOYSA-N 1 0 340.442 3.784 50 0 EHAARO CC(=O)Nc1ccc(-c2noc([C@H](C)[NH+]3[C@H](C)CC[C@H]3C)n2)cc1 ZINC000276891014 519708679 /nfs/dbraw/zinc/70/86/79/519708679.db2.gz HOZMEAUECVRNCF-UPJWGTAASA-N 1 0 328.416 3.629 50 0 EHAARO COCCC[NH2+]CCCCOc1ccc(C)cc1Br ZINC000003000436 523372224 /nfs/dbraw/zinc/37/22/24/523372224.db2.gz OWSPWCIGDGALTD-UHFFFAOYSA-N 1 0 330.266 3.543 50 0 EHAARO CCn1ccnc1C[N@@H+]1CCC[C@H](CCc2ccc(OC)cc2)C1 ZINC000012445589 523533465 /nfs/dbraw/zinc/53/34/65/523533465.db2.gz VDAGUOTXSRDZCI-GOSISDBHSA-N 1 0 327.472 3.756 50 0 EHAARO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)sc1-c1cccc(Cl)c1 ZINC000178519810 526260169 /nfs/dbraw/zinc/26/01/69/526260169.db2.gz WDHONMSTHLCAQM-GFCCVEGCSA-N 1 0 334.872 3.798 50 0 EHAARO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000163860443 529232661 /nfs/dbraw/zinc/23/26/61/529232661.db2.gz UQNJRCRJPUGWQI-PRXAMGSTSA-N 1 0 329.868 3.805 50 0 EHAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1csc(Br)c1 ZINC000072298375 563912262 /nfs/dbraw/zinc/91/22/62/563912262.db2.gz UCRIVKOGICBVSM-GFCCVEGCSA-N 1 0 340.290 3.894 50 0 EHAARO CCn1c2ccccc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000000243845 563265738 /nfs/dbraw/zinc/26/57/38/563265738.db2.gz ICCSNIJOYRMWPQ-UHFFFAOYSA-N 1 0 341.484 3.577 50 0 EHAARO Cc1csc2[n+]1-c1ccccc1N(C(=O)Nc1ccccc1)CC2 ZINC000000384214 563301302 /nfs/dbraw/zinc/30/13/02/563301302.db2.gz JCYRUUXCUCSWOL-UHFFFAOYSA-O 1 0 336.440 3.928 50 0 EHAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000000455586 563323549 /nfs/dbraw/zinc/32/35/49/563323549.db2.gz GFNDKDBSYMIXQO-UHFFFAOYSA-N 1 0 340.442 3.663 50 0 EHAARO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)c1 ZINC000002734836 563447318 /nfs/dbraw/zinc/44/73/18/563447318.db2.gz BHFFVIJFOUAVQN-NRFANRHFSA-N 1 0 336.479 3.866 50 0 EHAARO CCOCc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000071920228 563623205 /nfs/dbraw/zinc/62/32/05/563623205.db2.gz WLBZDTCZIINJIA-GOSISDBHSA-N 1 0 345.487 3.705 50 0 EHAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000012705588 563668034 /nfs/dbraw/zinc/66/80/34/563668034.db2.gz UHXPCWDWFOSRKV-CQSZACIVSA-N 1 0 336.382 3.929 50 0 EHAARO O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000013624013 563704380 /nfs/dbraw/zinc/70/43/80/563704380.db2.gz UTZMDAZJBPXCAT-JEJOPICUSA-N 1 0 344.842 3.900 50 0 EHAARO Cc1cccc(NC(=O)NC(=O)C[N@@H+](C)C2CCCCCC2)c1C ZINC000014705264 563763382 /nfs/dbraw/zinc/76/33/82/563763382.db2.gz AJZLNBXHIIDUNM-UHFFFAOYSA-N 1 0 331.460 3.606 50 0 EHAARO COc1ccc(Cl)cc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000032862292 563765297 /nfs/dbraw/zinc/76/52/97/563765297.db2.gz UTCMEYODBYHFPB-UHFFFAOYSA-N 1 0 339.867 3.779 50 0 EHAARO Fc1ccc(N[C@@H]2CCC[N@@H+](C3CSCCSC3)C2)cc1 ZINC000014950082 563767603 /nfs/dbraw/zinc/76/76/03/563767603.db2.gz QGODVYMFFLLCAZ-OAHLLOKOSA-N 1 0 326.506 3.551 50 0 EHAARO CCOc1ccccc1-c1nc(C[N@H+](C)C2CCOCC2)c(C)o1 ZINC000014970988 563769147 /nfs/dbraw/zinc/76/91/47/563769147.db2.gz UCPRTTNRCPHILS-UHFFFAOYSA-N 1 0 330.428 3.660 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCC2)o1 ZINC000015860167 563796605 /nfs/dbraw/zinc/79/66/05/563796605.db2.gz HFODFEHJDJAGCL-QGZVFWFLSA-N 1 0 330.403 3.684 50 0 EHAARO Cc1cccc([N+]2=C3CCCCN3[C@](O)(c3cccs3)C2)c1C ZINC000015962074 563800817 /nfs/dbraw/zinc/80/08/17/563800817.db2.gz WJWFHCNJRHNYSC-LJQANCHMSA-N 1 0 327.473 3.625 50 0 EHAARO Cc1cc(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)o1 ZINC000017071587 563834560 /nfs/dbraw/zinc/83/45/60/563834560.db2.gz PATJHZWWRHDAMT-UHFFFAOYSA-N 1 0 342.483 3.623 50 0 EHAARO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCO1 ZINC000434009227 563866571 /nfs/dbraw/zinc/86/65/71/563866571.db2.gz WGZSAKBIWLMRRS-HDAAZOAOSA-N 1 0 339.483 3.956 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000025356775 563883771 /nfs/dbraw/zinc/88/37/71/563883771.db2.gz SPEJQHSGHCNFPQ-KRWDZBQOSA-N 1 0 343.434 3.909 50 0 EHAARO CC1CC[NH+]([C@H](CNC(=O)c2ccccc2O)c2cccs2)CC1 ZINC000027573564 563896656 /nfs/dbraw/zinc/89/66/56/563896656.db2.gz FGSWEXJCUMHLFU-MRXNPFEDSA-N 1 0 344.480 3.657 50 0 EHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCC2CC2)cc1 ZINC000029727362 563908216 /nfs/dbraw/zinc/90/82/16/563908216.db2.gz XLJMUPNZJSHAPS-UHFFFAOYSA-N 1 0 337.467 3.624 50 0 EHAARO CC(=O)Nc1ccc(CNC[C@H](C(C)C)[NH+]2CCCCCC2)cc1 ZINC000030664851 563910232 /nfs/dbraw/zinc/91/02/32/563910232.db2.gz FAYFRIUCGPXPAQ-HXUWFJFHSA-N 1 0 331.504 3.635 50 0 EHAARO Cc1nnc2n1C[C@H](C[NH2+]Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000071877321 563920755 /nfs/dbraw/zinc/92/07/55/563920755.db2.gz WMWZCFCGPFQRCA-IBGZPJMESA-N 1 0 346.478 3.914 50 0 EHAARO Cc1ccn2c(C[NH2+][C@@H]3CCCc4c3cnn4C(C)(C)C)cnc2c1 ZINC000076042766 563921378 /nfs/dbraw/zinc/92/13/78/563921378.db2.gz MAQHTONMBUJXCD-QGZVFWFLSA-N 1 0 337.471 3.761 50 0 EHAARO O=C(OCc1ccccc1)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000042773672 563924934 /nfs/dbraw/zinc/92/49/34/563924934.db2.gz XVNVWJUQJPLMPL-UHFFFAOYSA-N 1 0 339.435 3.812 50 0 EHAARO Brc1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000042776136 563925015 /nfs/dbraw/zinc/92/50/15/563925015.db2.gz JCFKLPCARGYMDU-UHFFFAOYSA-N 1 0 349.066 3.590 50 0 EHAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cc1ccsc1 ZINC000058268405 563941343 /nfs/dbraw/zinc/94/13/43/563941343.db2.gz SNDBXGWIEWOGKG-UHFFFAOYSA-N 1 0 346.521 3.787 50 0 EHAARO O=C(c1ccncc1)N1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000058282090 563941569 /nfs/dbraw/zinc/94/15/69/563941569.db2.gz CEFWTULBTKBTCY-NRFANRHFSA-N 1 0 349.478 3.598 50 0 EHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000058531638 563946710 /nfs/dbraw/zinc/94/67/10/563946710.db2.gz BKILZKVWSKAADQ-MRXNPFEDSA-N 1 0 329.488 3.809 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000058831132 563947270 /nfs/dbraw/zinc/94/72/70/563947270.db2.gz NVAXPWXLHGESJS-UHFFFAOYSA-N 1 0 328.909 3.571 50 0 EHAARO CC(C)C[C@H](C)[NH2+]C1CCN(c2ccc(N3CCCC3=O)cc2)CC1 ZINC000063846226 563956108 /nfs/dbraw/zinc/95/61/08/563956108.db2.gz VBRUVUVHRXLUGA-KRWDZBQOSA-N 1 0 343.515 3.806 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cnc2ccccc2n1 ZINC000063868516 563956279 /nfs/dbraw/zinc/95/62/79/563956279.db2.gz WYOGZGDXERBGDA-GOSISDBHSA-N 1 0 339.414 3.542 50 0 EHAARO Cc1ccnc([C@H]([NH2+]CCC(=O)N2CCCc3ccccc32)C2CC2)c1 ZINC000065370233 563958385 /nfs/dbraw/zinc/95/83/85/563958385.db2.gz RRYWLCVIMOTLDA-JOCHJYFZSA-N 1 0 349.478 3.800 50 0 EHAARO CC(C)=Cc1c(-c2ccccc2)ncn1C[C@H]1CCC[N@H+](CCO)C1 ZINC000065386648 563959290 /nfs/dbraw/zinc/95/92/90/563959290.db2.gz BYSIVQNUQVTYLQ-SFHVURJKSA-N 1 0 339.483 3.678 50 0 EHAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1Cc1ccc(O)c(F)c1 ZINC000065468657 563961266 /nfs/dbraw/zinc/96/12/66/563961266.db2.gz QNKLMLHONCQWCL-UHFFFAOYSA-N 1 0 326.375 3.530 50 0 EHAARO Cc1ccc(C(N)=O)cc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000071745807 563964941 /nfs/dbraw/zinc/96/49/41/563964941.db2.gz JTRJNQVZQWOTQA-SFHVURJKSA-N 1 0 338.451 3.541 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(OC(C)C)cc2)CC1 ZINC000006729144 563966572 /nfs/dbraw/zinc/96/65/72/563966572.db2.gz PEBWRLXQROHUBK-UHFFFAOYSA-N 1 0 349.471 3.518 50 0 EHAARO Cc1[nH+]c2ccccc2c(N2CCC[C@H](c3nnc4n3CCC4)C2)c1C ZINC000097085946 563967305 /nfs/dbraw/zinc/96/73/05/563967305.db2.gz YNHUZWWPDBIMDS-INIZCTEOSA-N 1 0 347.466 3.773 50 0 EHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc2nsnc2c1 ZINC000077302069 563968897 /nfs/dbraw/zinc/96/88/97/563968897.db2.gz DTDLCROHEGEJCL-MRXNPFEDSA-N 1 0 341.484 3.641 50 0 EHAARO COc1cc(O)ccc1-c1nccn1C[C@@H](c1cccs1)[NH+](C)C ZINC000077380084 563969323 /nfs/dbraw/zinc/96/93/23/563969323.db2.gz BTXPIGUUJGNPSD-HNNXBMFYSA-N 1 0 343.452 3.629 50 0 EHAARO O=C(c1cc(Cl)ccc1F)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000077538760 563970286 /nfs/dbraw/zinc/97/02/86/563970286.db2.gz RTDFDWIUZHJWBW-UHFFFAOYSA-N 1 0 338.854 3.960 50 0 EHAARO C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccnc1 ZINC000097038071 563971292 /nfs/dbraw/zinc/97/12/92/563971292.db2.gz OLABQPSSDSFUMP-BBWFWOEESA-N 1 0 325.456 3.864 50 0 EHAARO FC(F)C(F)(F)CC[N@@H+]1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082120083 563972425 /nfs/dbraw/zinc/97/24/25/563972425.db2.gz XQNZDTZBWLVYCG-CYBMUJFWSA-N 1 0 333.373 3.763 50 0 EHAARO Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)c(C)c3)C[C@H]2[NH+](C)C)cc1 ZINC000095527820 563977513 /nfs/dbraw/zinc/97/75/13/563977513.db2.gz FINRPRWPSFRJDH-AZUAARDMSA-N 1 0 340.442 3.612 50 0 EHAARO Cc1noc(C)c1[C@@H]1CCCN1Cc1cnn(-c2ccccc2F)c1 ZINC000097076356 563981254 /nfs/dbraw/zinc/98/12/54/563981254.db2.gz MZQXQCDRWYYIRA-SFHVURJKSA-N 1 0 340.402 3.953 50 0 EHAARO C[C@H](c1ccncc1)N(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000000263866 563989857 /nfs/dbraw/zinc/98/98/57/563989857.db2.gz QUZMSUDUQVLPDK-CQSZACIVSA-N 1 0 346.862 3.892 50 0 EHAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000000317606 563991060 /nfs/dbraw/zinc/99/10/60/563991060.db2.gz OMTLHRGMLAOFLA-OAHLLOKOSA-N 1 0 334.891 3.811 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000237258539 563991278 /nfs/dbraw/zinc/99/12/78/563991278.db2.gz WKQKISWHBVPBRL-AWEZNQCLSA-N 1 0 344.405 3.703 50 0 EHAARO CCn1c(C)cc(O)c([C@H](c2ccccc2F)[NH+]2CCCCC2)c1=O ZINC000024022858 563991385 /nfs/dbraw/zinc/99/13/85/563991385.db2.gz JXJUJKHDWWYXKU-IBGZPJMESA-N 1 0 344.430 3.597 50 0 EHAARO Cc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000000212623 563999332 /nfs/dbraw/zinc/99/93/32/563999332.db2.gz XZPOATCBTIHSDI-UHFFFAOYSA-N 1 0 333.526 3.817 50 0 EHAARO O=C(Nc1ccccc1Cl)[C@@H]1CCCCN1Cc1cccnc1 ZINC000075140568 564000282 /nfs/dbraw/zinc/00/02/82/564000282.db2.gz DESHRCAHVSDMRZ-KRWDZBQOSA-N 1 0 329.831 3.728 50 0 EHAARO COc1ccc2cc([C@H](C)[NH+]3CCC(n4cncn4)CC3)ccc2c1 ZINC000075678702 564000551 /nfs/dbraw/zinc/00/05/51/564000551.db2.gz SVGQCWSRHYBFBA-HNNXBMFYSA-N 1 0 336.439 3.838 50 0 EHAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc2ccccc2oc1=O ZINC000047452136 564026303 /nfs/dbraw/zinc/02/63/03/564026303.db2.gz XAVVLNUDOWQPKP-UHFFFAOYSA-N 1 0 348.402 3.641 50 0 EHAARO CC(C)C[N@@H+]1CCCN([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000106802070 564026657 /nfs/dbraw/zinc/02/66/57/564026657.db2.gz MDVJIHFGWHRIKD-CQSZACIVSA-N 1 0 334.489 3.523 50 0 EHAARO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccc2c(c1)CCO2 ZINC000108461286 564028238 /nfs/dbraw/zinc/02/82/38/564028238.db2.gz MHZOMMFLBKHVNY-AOIWGVFYSA-N 1 0 333.497 3.717 50 0 EHAARO CS(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc3ccccc32)cc1 ZINC000048779500 564032149 /nfs/dbraw/zinc/03/21/49/564032149.db2.gz DIBNGTRDZLIOIO-UHFFFAOYSA-N 1 0 339.460 3.674 50 0 EHAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccccc1F ZINC000000819128 564035220 /nfs/dbraw/zinc/03/52/20/564035220.db2.gz NVRASRGWQWAGIC-UHFFFAOYSA-N 1 0 325.343 3.567 50 0 EHAARO C[S@](=O)CC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000225395403 564046412 /nfs/dbraw/zinc/04/64/12/564046412.db2.gz GZEAGKCQZFNURH-FQEVSTJZSA-N 1 0 332.252 3.722 50 0 EHAARO O[C@@H](c1ccc(F)cc1)C1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000225638608 564048830 /nfs/dbraw/zinc/04/88/30/564048830.db2.gz USSXGFOVFLPNGE-QFIPXVFZSA-N 1 0 339.454 3.986 50 0 EHAARO CC(C)CNc1nnc(SCC[N@H+](C)Cc2ccccc2)s1 ZINC000241564200 564052021 /nfs/dbraw/zinc/05/20/21/564052021.db2.gz OSEZMAZOSFVGCN-UHFFFAOYSA-N 1 0 336.530 3.830 50 0 EHAARO CCN1CCC[C@@H]1C[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000025460669 564054438 /nfs/dbraw/zinc/05/44/38/564054438.db2.gz ILZOPPZWTNDVJP-HXUWFJFHSA-N 1 0 349.563 3.554 50 0 EHAARO Brc1ccc2[nH]cc(CC[NH2+]Cc3cscn3)c2c1 ZINC000344391950 564056054 /nfs/dbraw/zinc/05/60/54/564056054.db2.gz JESMACOCPKYPAN-UHFFFAOYSA-N 1 0 336.258 3.719 50 0 EHAARO Cc1ccc(OCC(N)=O)c(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)c1 ZINC000534639309 564061354 /nfs/dbraw/zinc/06/13/54/564061354.db2.gz DBKWQBMHIRXDSV-MRXNPFEDSA-N 1 0 338.451 3.683 50 0 EHAARO C[NH+](C)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 ZINC000083847934 564063868 /nfs/dbraw/zinc/06/38/68/564063868.db2.gz FCNHVEYBSWSPIA-UHFFFAOYSA-N 1 0 336.479 3.638 50 0 EHAARO Cc1nnc2n1C[C@H](C[NH2+]Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000084296935 564067704 /nfs/dbraw/zinc/06/77/04/564067704.db2.gz BEGYKHZAWZFVPS-SFHVURJKSA-N 1 0 348.450 3.731 50 0 EHAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000015669117 564070381 /nfs/dbraw/zinc/07/03/81/564070381.db2.gz YAAAHBNLVROQOH-UHFFFAOYSA-N 1 0 328.460 3.637 50 0 EHAARO C[NH+](C)CCCOc1cccc2c1SCc1ccccc1C2=O ZINC000043191116 564076171 /nfs/dbraw/zinc/07/61/71/564076171.db2.gz IVTSJZTVTPIBBP-UHFFFAOYSA-N 1 0 327.449 3.854 50 0 EHAARO COc1cccc(NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000015861035 564076885 /nfs/dbraw/zinc/07/68/85/564076885.db2.gz CVXBAIURLIPFQO-UHFFFAOYSA-N 1 0 340.398 3.605 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)Cc2ccccc2)[NH+]2CCC(C)CC2)o1 ZINC000015860330 564076927 /nfs/dbraw/zinc/07/69/27/564076927.db2.gz TVXKXXZYVBIVEM-LJQANCHMSA-N 1 0 340.467 3.720 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)NCc1cccs1)c1cc2ccccc2o1 ZINC000575622159 564083926 /nfs/dbraw/zinc/08/39/26/564083926.db2.gz WWPXNJCFPOWAAE-OAHLLOKOSA-N 1 0 343.452 3.596 50 0 EHAARO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2)C12CCCCC2 ZINC000225393993 564084326 /nfs/dbraw/zinc/08/43/26/564084326.db2.gz JGAJRZVBPQLPCG-BPQIPLTHSA-N 1 0 330.472 3.731 50 0 EHAARO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1 ZINC000090667984 564085810 /nfs/dbraw/zinc/08/58/10/564085810.db2.gz KSXPNQOIEYQLMH-IRXDYDNUSA-N 1 0 339.483 3.966 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)c(C)n1 ZINC000090853306 564086895 /nfs/dbraw/zinc/08/68/95/564086895.db2.gz BTSQETCDZUBMNH-HUUCEWRRSA-N 1 0 335.455 3.750 50 0 EHAARO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)c(C)n1 ZINC000090853304 564086917 /nfs/dbraw/zinc/08/69/17/564086917.db2.gz BTSQETCDZUBMNH-GJZGRUSLSA-N 1 0 335.455 3.750 50 0 EHAARO CC[C@H](CNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1SC)c1ccccc1 ZINC000241515547 564088365 /nfs/dbraw/zinc/08/83/65/564088365.db2.gz OGFANUUYNQTQGY-NJAFHUGGSA-N 1 0 334.529 3.512 50 0 EHAARO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1O ZINC000242273536 564088474 /nfs/dbraw/zinc/08/84/74/564088474.db2.gz YDNNGSZZQZWIST-HUUCEWRRSA-N 1 0 345.405 3.857 50 0 EHAARO C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000245231616 564088628 /nfs/dbraw/zinc/08/86/28/564088628.db2.gz GLWKVBMAXIHLJD-OTHWRCMBSA-N 1 0 349.559 3.732 50 0 EHAARO Cc1noc(C(C)C)c1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000075612658 564089910 /nfs/dbraw/zinc/08/99/10/564089910.db2.gz RJEAROVTTJBDEA-KRWDZBQOSA-N 1 0 341.455 3.501 50 0 EHAARO O=C(C=C1CCCCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064521000 564091949 /nfs/dbraw/zinc/09/19/49/564091949.db2.gz YAEWUJWERVJVHE-KRWDZBQOSA-N 1 0 332.513 3.967 50 0 EHAARO COc1ccccc1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000006578806 564092228 /nfs/dbraw/zinc/09/22/28/564092228.db2.gz FTAUIKDCQCUWAW-UHFFFAOYSA-N 1 0 344.499 3.543 50 0 EHAARO Cc1cnccc1-c1cccc(C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)c1 ZINC000426486414 564093874 /nfs/dbraw/zinc/09/38/74/564093874.db2.gz PMDPGGFLLQLCSN-QGZVFWFLSA-N 1 0 349.478 3.756 50 0 EHAARO CC[NH+](CC)CCN(C)C(=O)c1ccc(-c2cc(C)ccc2O)cc1 ZINC000426593834 564094195 /nfs/dbraw/zinc/09/41/95/564094195.db2.gz SADULNKBLLBPIA-UHFFFAOYSA-N 1 0 340.467 3.781 50 0 EHAARO Cc1cc(-c2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2)ccc1F ZINC000426593540 564094200 /nfs/dbraw/zinc/09/42/00/564094200.db2.gz BXYSWRWBNRIHHH-SFHVURJKSA-N 1 0 326.415 3.755 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc(Cl)c[nH]1 ZINC000426647310 564094318 /nfs/dbraw/zinc/09/43/18/564094318.db2.gz OYYREDQDFJWEBU-QGZVFWFLSA-N 1 0 331.847 3.625 50 0 EHAARO Cc1ccsc1-c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000426697610 564094426 /nfs/dbraw/zinc/09/44/26/564094426.db2.gz XNRNGBYFXUKOBN-KRWDZBQOSA-N 1 0 328.481 3.890 50 0 EHAARO Cc1ccc(CNC(=O)C2=CC[N@H+](Cc3cccc(F)c3)CC2)cc1 ZINC000064818096 564096502 /nfs/dbraw/zinc/09/65/02/564096502.db2.gz KIARQCRZNXURCD-UHFFFAOYSA-N 1 0 338.426 3.583 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2o1 ZINC000064968362 564098725 /nfs/dbraw/zinc/09/87/25/564098725.db2.gz SGSPFNQGAUSNTO-HNNXBMFYSA-N 1 0 343.471 3.946 50 0 EHAARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(O)cc2o1 ZINC000007002250 564103038 /nfs/dbraw/zinc/10/30/38/564103038.db2.gz WLJHXDASNKIQLZ-UHFFFAOYSA-N 1 0 349.430 3.953 50 0 EHAARO CCn1c([C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc2cccnc21 ZINC000065285340 564104310 /nfs/dbraw/zinc/10/43/10/564104310.db2.gz MUUJZAJINFYJPW-CQSZACIVSA-N 1 0 326.469 3.811 50 0 EHAARO c1ccc2sc(C[NH+]3CCC(c4nnc5ccccn54)CC3)nc2c1 ZINC000065487486 564106338 /nfs/dbraw/zinc/10/63/38/564106338.db2.gz OBVYQOAMNFHEQU-UHFFFAOYSA-N 1 0 349.463 3.719 50 0 EHAARO CCC[NH+](CCC)CCCNC(=O)Nc1cc(NC(C)=O)ccc1C ZINC000065490311 564106390 /nfs/dbraw/zinc/10/63/90/564106390.db2.gz RRPPXWXCYRMWGL-UHFFFAOYSA-N 1 0 348.491 3.587 50 0 EHAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000007340644 564106977 /nfs/dbraw/zinc/10/69/77/564106977.db2.gz FKGUXWMNMILSAI-CYBMUJFWSA-N 1 0 338.411 3.932 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2N2CCCC2)C1 ZINC000065566514 564107139 /nfs/dbraw/zinc/10/71/39/564107139.db2.gz ADRRLBQQIBSRTK-KRWDZBQOSA-N 1 0 344.503 3.529 50 0 EHAARO Cc1cc(F)cc2[nH]c(C(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)cc21 ZINC000170629543 564110647 /nfs/dbraw/zinc/11/06/47/564110647.db2.gz VQILOOCDHZBUFU-CYBMUJFWSA-N 1 0 345.462 3.856 50 0 EHAARO Cc1cccc(N2CCC([NH2+]Cc3cnc(C4CCC4)s3)CC2)n1 ZINC000089688937 564113044 /nfs/dbraw/zinc/11/30/44/564113044.db2.gz ONHFVWSDMKYMNV-UHFFFAOYSA-N 1 0 342.512 3.873 50 0 EHAARO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-c3nc[nH]n3)c1)CCCO2 ZINC000089731373 564113432 /nfs/dbraw/zinc/11/34/32/564113432.db2.gz DCCUSLLQMFDLCS-QGZVFWFLSA-N 1 0 338.386 3.614 50 0 EHAARO Cc1sc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1-c1ccc(F)cc1 ZINC000237519327 564117771 /nfs/dbraw/zinc/11/77/71/564117771.db2.gz ADMVBPVUYGGBOK-NHYWBVRUSA-N 1 0 332.444 3.814 50 0 EHAARO O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252512723 564120179 /nfs/dbraw/zinc/12/01/79/564120179.db2.gz VBKCPDOWRYBTTB-QYZOEREBSA-N 1 0 345.462 3.593 50 0 EHAARO COc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cccc(C)c1F ZINC000170665125 564121293 /nfs/dbraw/zinc/12/12/93/564121293.db2.gz JUIKENNBQUSPOK-UHFFFAOYSA-N 1 0 342.414 3.991 50 0 EHAARO C[C@H](NC(=O)[C@@](C)([NH3+])C1CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000170681262 564121429 /nfs/dbraw/zinc/12/14/29/564121429.db2.gz SSKFGYRUBWWYTQ-RBZFPXEDSA-N 1 0 342.414 3.923 50 0 EHAARO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccccc3)o2)CN1 ZINC000195556513 564123772 /nfs/dbraw/zinc/12/37/72/564123772.db2.gz KAAQNURZZMGKBH-YJBOKZPZSA-N 1 0 340.423 3.563 50 0 EHAARO CC[C@H](Sc1ccccc1)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000253417784 564130797 /nfs/dbraw/zinc/13/07/97/564130797.db2.gz MAZIMXRLHJJTJY-BQFCYCMXSA-N 1 0 332.513 3.643 50 0 EHAARO CC[C@H](Sc1ccccc1)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000253417794 564130816 /nfs/dbraw/zinc/13/08/16/564130816.db2.gz MAZIMXRLHJJTJY-JZXOWHBKSA-N 1 0 332.513 3.643 50 0 EHAARO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000064034188 564133934 /nfs/dbraw/zinc/13/39/34/564133934.db2.gz ZHDQSHASPMOJOI-HXUWFJFHSA-N 1 0 330.472 3.910 50 0 EHAARO C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@H](n2cncn2)C1 ZINC000225407205 564134501 /nfs/dbraw/zinc/13/45/01/564134501.db2.gz KPOIHDIQELUXBK-FHLIZLRMSA-N 1 0 344.890 3.983 50 0 EHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000013011464 564135904 /nfs/dbraw/zinc/13/59/04/564135904.db2.gz MFHIUNQZAKNBKX-MRXNPFEDSA-N 1 0 334.872 3.968 50 0 EHAARO Cc1cc(NC(=O)CC[NH2+][C@@H]2c3ccccc3CCC2(C)C)no1 ZINC000095462671 564140826 /nfs/dbraw/zinc/14/08/26/564140826.db2.gz KNQZLMALTGTKGD-GOSISDBHSA-N 1 0 327.428 3.615 50 0 EHAARO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(Cc1ccccc1)CC1CCC1 ZINC000095954892 564142482 /nfs/dbraw/zinc/14/24/82/564142482.db2.gz GEEPZPGWBFNJLF-VQTJNVASSA-N 1 0 341.499 3.625 50 0 EHAARO CC(C)[C@H](O)C1(C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000095989215 564144105 /nfs/dbraw/zinc/14/41/05/564144105.db2.gz WITGYQBEIXPWLQ-AWEZNQCLSA-N 1 0 346.696 3.989 50 0 EHAARO CCOc1ccccc1OCC[NH2+]CCOc1ccccc1OCC ZINC000096026910 564144972 /nfs/dbraw/zinc/14/49/72/564144972.db2.gz FPDXRTOEXJKUHS-UHFFFAOYSA-N 1 0 345.439 3.531 50 0 EHAARO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1csc(C2CC2)n1 ZINC000096421713 564147956 /nfs/dbraw/zinc/14/79/56/564147956.db2.gz RMYDRDZIAWJKPW-GFCCVEGCSA-N 1 0 329.469 3.573 50 0 EHAARO CC(C)n1cnc(C(=O)Nc2nc(CN3CCCCCC3)cs2)c1 ZINC000225604372 564149942 /nfs/dbraw/zinc/14/99/42/564149942.db2.gz IYASYIGZVMTCJJ-UHFFFAOYSA-N 1 0 347.488 3.549 50 0 EHAARO Cc1cccc(NC(=O)N2CC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000225687895 564150274 /nfs/dbraw/zinc/15/02/74/564150274.db2.gz JNMGSSXGBDGNTM-HXUWFJFHSA-N 1 0 335.451 3.660 50 0 EHAARO CN(c1ccccc1)c1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000670434369 564156767 /nfs/dbraw/zinc/15/67/67/564156767.db2.gz BJAQRUVYRHCZSR-UHFFFAOYSA-N 1 0 347.466 3.952 50 0 EHAARO COCC[N@@H+]1CCC[C@H](CN(C)c2nc(-c3ccccc3)cs2)C1 ZINC000670434617 564156780 /nfs/dbraw/zinc/15/67/80/564156780.db2.gz ZDESVRZEGZASQC-MRXNPFEDSA-N 1 0 345.512 3.605 50 0 EHAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000058219043 564158103 /nfs/dbraw/zinc/15/81/03/564158103.db2.gz KEODVKSYSSGUQD-ILYDUKKLSA-N 1 0 338.495 3.739 50 0 EHAARO O=C(COc1ccc(F)cc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031621330 564159614 /nfs/dbraw/zinc/15/96/14/564159614.db2.gz CGRRYVHCOUHCGM-UHFFFAOYSA-N 1 0 342.414 3.829 50 0 EHAARO Cc1ccc2nc(C[N@@H+](C)[C@H]3CCCc4ccccc43)cc(=O)n2c1 ZINC000008126265 564162917 /nfs/dbraw/zinc/16/29/17/564162917.db2.gz ZFCVMDBBXZKKLA-IBGZPJMESA-N 1 0 333.435 3.512 50 0 EHAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000670469150 564163045 /nfs/dbraw/zinc/16/30/45/564163045.db2.gz WDASLCMFUVEPDU-NEPJUHHUSA-N 1 0 346.780 3.668 50 0 EHAARO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc4ccccc4c(=O)[nH]3)c2C1 ZINC000066761227 564164016 /nfs/dbraw/zinc/16/40/16/564164016.db2.gz JWXIVGVJVFYQCD-UHFFFAOYSA-N 1 0 347.418 3.506 50 0 EHAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(C(=O)OCC)cc2c1=O ZINC000008714126 564166649 /nfs/dbraw/zinc/16/66/49/564166649.db2.gz VWAHAFKOKBCVST-UHFFFAOYSA-N 1 0 330.428 3.657 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1F ZINC000008724339 564166943 /nfs/dbraw/zinc/16/69/43/564166943.db2.gz PSEMFQPASQERFM-HNNXBMFYSA-N 1 0 335.354 3.516 50 0 EHAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(OCc2ccncc2)cc1)n1cccn1 ZINC000069414447 564169193 /nfs/dbraw/zinc/16/91/93/564169193.db2.gz HUALFRVBHMUZGI-DLBZAZTESA-N 1 0 336.439 3.596 50 0 EHAARO CC(C)Sc1ccccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000069416455 564169279 /nfs/dbraw/zinc/16/92/79/564169279.db2.gz CDOSGVMWUMGFRZ-UHFFFAOYSA-N 1 0 332.513 3.888 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1OCc1ccncc1)[C@H](C)n1cccn1 ZINC000069417270 564169284 /nfs/dbraw/zinc/16/92/84/564169284.db2.gz YIEHJUINJUJFIW-SJORKVTESA-N 1 0 336.439 3.596 50 0 EHAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)c1 ZINC000069659332 564171253 /nfs/dbraw/zinc/17/12/53/564171253.db2.gz DAISLJGRSFGHHU-CHWSQXEVSA-N 1 0 330.457 3.956 50 0 EHAARO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000070021686 564173339 /nfs/dbraw/zinc/17/33/39/564173339.db2.gz FYJMLROVGZYTSJ-DOTOQJQBSA-N 1 0 337.427 3.549 50 0 EHAARO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000009647244 564174357 /nfs/dbraw/zinc/17/43/57/564174357.db2.gz HPZFWZRVZYQFJM-SJORKVTESA-N 1 0 329.488 3.736 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1CCNc1nc(-c2ccncc2)nc2ccccc21 ZINC000071811026 564175594 /nfs/dbraw/zinc/17/55/94/564175594.db2.gz KADMHECSHNYCPA-MRXNPFEDSA-N 1 0 347.466 3.978 50 0 EHAARO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc[nH]c1=S ZINC000071847474 564175956 /nfs/dbraw/zinc/17/59/56/564175956.db2.gz JJCXUPOEKWCLKG-UHFFFAOYSA-N 1 0 345.493 3.545 50 0 EHAARO Cc1oc(-c2ccoc2)nc1CN(C)Cc1ccc2nsnc2c1 ZINC000020599225 1018188594 /nfs/dbraw/zinc/18/85/94/1018188594.db2.gz JPEOJRNCUSVDTF-UHFFFAOYSA-N 1 0 340.408 3.880 50 0 EHAARO Oc1cccc(C[NH2+]C2CCC(Oc3ncccc3Cl)CC2)c1 ZINC000186514092 1027488974 /nfs/dbraw/zinc/48/89/74/1027488974.db2.gz ATTHYHBDOFIALY-UHFFFAOYSA-N 1 0 332.831 3.920 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc3ccccn3c2)CC1 ZINC000118775408 1028798242 /nfs/dbraw/zinc/79/82/42/1028798242.db2.gz YBOBJIRWNWCTJR-UHFFFAOYSA-N 1 0 347.462 3.642 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 ZINC000174129856 1033775535 /nfs/dbraw/zinc/77/55/35/1033775535.db2.gz JLLQZJJKYVWEPW-CQSZACIVSA-N 1 0 346.496 3.775 50 0 EHAARO COc1ccc2nc(CN3CC[C@H](C[NH+]4CCCCC4)C3)sc2c1 ZINC000187084096 1037198989 /nfs/dbraw/zinc/19/89/89/1037198989.db2.gz FHDKMEKDOWPMAD-OAHLLOKOSA-N 1 0 345.512 3.613 50 0 EHAARO c1cc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc2c1OCO2 ZINC000022078097 1039713104 /nfs/dbraw/zinc/71/31/04/1039713104.db2.gz KHJGVIHWNXKXPN-WIYYLYMNSA-N 1 0 342.483 3.644 50 0 EHAARO O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000106107575 1041556769 /nfs/dbraw/zinc/55/67/69/1041556769.db2.gz RPOMHHYLUHXVNV-SJLPKXTDSA-N 1 0 335.444 3.602 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)C1 ZINC000269104250 1127459120 /nfs/dbraw/zinc/45/91/20/1127459120.db2.gz HZVSJVGSPOFGMP-JWAFFJSPSA-N 1 0 340.389 3.567 50 0 EHAARO C[C@@H](c1ccco1)N1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011784068 1128983487 /nfs/dbraw/zinc/98/34/87/1128983487.db2.gz QZPHZCTYLSLPIU-WMLDXEAASA-N 1 0 330.403 3.651 50 0 EHAARO C[C@H](c1ccco1)N1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011784067 1128983626 /nfs/dbraw/zinc/98/36/26/1128983626.db2.gz QZPHZCTYLSLPIU-RHSMWYFYSA-N 1 0 330.403 3.651 50 0 EHAARO [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000827268038 1131369069 /nfs/dbraw/zinc/36/90/69/1131369069.db2.gz QXXNEOZIYBBKGL-OAHLLOKOSA-N 1 0 347.846 3.623 50 0 EHAARO CC1CC[NH+]([C@@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 ZINC000012163309 1129409807 /nfs/dbraw/zinc/40/98/07/1129409807.db2.gz ZFGJVBOGOCSTDX-QGZVFWFLSA-N 1 0 336.426 3.578 50 0 EHAARO C[N@H+](Cc1ccsc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012278994 1129474020 /nfs/dbraw/zinc/47/40/20/1129474020.db2.gz GITDUCQXKZQGJL-SFHVURJKSA-N 1 0 328.481 3.761 50 0 EHAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCCc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000821508501 1130937928 /nfs/dbraw/zinc/93/79/28/1130937928.db2.gz XRIKZCFRNWXAQL-CYBMUJFWSA-N 1 0 345.878 3.641 50 0 EHAARO CC1CC[NH+](Cc2ccc(-c3n[nH]c(Cc4cccs4)n3)o2)CC1 ZINC000822421801 1130989735 /nfs/dbraw/zinc/98/97/35/1130989735.db2.gz PLFSQSFSKFOSGE-UHFFFAOYSA-N 1 0 342.468 3.949 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000581807146 1132369446 /nfs/dbraw/zinc/36/94/46/1132369446.db2.gz JNEOMOGWYOGEOZ-AWEZNQCLSA-N 1 0 329.469 3.683 50 0 EHAARO Cc1cnc(C2CCOCC2)n1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581807141 1132370292 /nfs/dbraw/zinc/37/02/92/1132370292.db2.gz DHJISZPZVSCHBR-IBGZPJMESA-N 1 0 325.456 3.533 50 0 EHAARO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2nc(C3OCCO3)cs2)c1 ZINC000585120660 1137012118 /nfs/dbraw/zinc/01/21/18/1137012118.db2.gz DGKKJVFJTIVFGH-ZDUSSCGKSA-N 1 0 330.453 3.840 50 0 EHAARO Cc1ccc(C(C)(C)CC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000952846243 1137482617 /nfs/dbraw/zinc/48/26/17/1137482617.db2.gz RHTKHONPMCHQGC-SFHVURJKSA-N 1 0 328.500 3.511 50 0 EHAARO CC(C)Oc1cccc(CNC(=O)C2([NH+]3CCCC3)CCCCC2)c1 ZINC000952869289 1137483066 /nfs/dbraw/zinc/48/30/66/1137483066.db2.gz ZLFXOOJWRRHBFL-UHFFFAOYSA-N 1 0 344.499 3.889 50 0 EHAARO CC1=C(C[NH2+]C[C@H](c2ccccn2)N2CCOCC2)C(C)(C)CCC1 ZINC000952974163 1137484533 /nfs/dbraw/zinc/48/45/33/1137484533.db2.gz YNZJNBLFOBRNLC-HXUWFJFHSA-N 1 0 343.515 3.571 50 0 EHAARO C[C@H]1CCCN(c2ccc(Cl)cc2NC(=O)C2([NH3+])CCCC2)C1 ZINC000952980242 1137484689 /nfs/dbraw/zinc/48/46/89/1137484689.db2.gz WLHOFWIDDKDPRQ-ZDUSSCGKSA-N 1 0 335.879 3.786 50 0 EHAARO [NH3+][C@H]1CCC[C@@H](c2nnc(Cc3c(Cl)cccc3Cl)[nH]2)C1 ZINC000952981152 1137485364 /nfs/dbraw/zinc/48/53/64/1137485364.db2.gz ZOBWKIWNUPDOMU-ZJUUUORDSA-N 1 0 325.243 3.687 50 0 EHAARO COCC1(C[NH2+]Cc2cc3ccc(SC)cc3[nH]c2=O)CCC1 ZINC000952991242 1137486011 /nfs/dbraw/zinc/48/60/11/1137486011.db2.gz VKSFTIPJOGVXQX-UHFFFAOYSA-N 1 0 332.469 3.569 50 0 EHAARO Oc1ccc(C2=CC[N@H+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000053815203 214200616 /nfs/dbraw/zinc/20/06/16/214200616.db2.gz YHNWJCSFGACZRD-UHFFFAOYSA-N 1 0 331.419 3.867 50 0 EHAARO CO[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 ZINC000055035907 214265109 /nfs/dbraw/zinc/26/51/09/214265109.db2.gz MKEVGKCJVGAWBN-HNNXBMFYSA-N 1 0 331.416 3.755 50 0 EHAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(n2cc(C(C)(C)O)nn2)CC1 ZINC000055088909 214270770 /nfs/dbraw/zinc/27/07/70/214270770.db2.gz URKKAUGXADBGRI-MRXNPFEDSA-N 1 0 334.508 3.525 50 0 EHAARO Oc1ccc(C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000055103222 214273290 /nfs/dbraw/zinc/27/32/90/214273290.db2.gz QHPFCJHHRBUHOC-UHFFFAOYSA-N 1 0 333.435 3.958 50 0 EHAARO COc1ccc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cc1O ZINC000055271039 214298807 /nfs/dbraw/zinc/29/88/07/214298807.db2.gz LJZWOYPITJGUPY-UHFFFAOYSA-N 1 0 341.386 3.562 50 0 EHAARO CC(C)C[N@H+](Cc1ccc2c(c1)OCCCO2)Cc1ccccn1 ZINC000055414524 214322351 /nfs/dbraw/zinc/32/23/51/214322351.db2.gz XDXQTDTWAFPGOQ-UHFFFAOYSA-N 1 0 326.440 3.901 50 0 EHAARO CCCOC(=O)CCCCCCCC[C@@H](O)C[NH+]1CCCCC1 ZINC000004580704 210226425 /nfs/dbraw/zinc/22/64/25/210226425.db2.gz KVYUUDFRZRYYEE-GOSISDBHSA-N 1 0 327.509 3.907 50 0 biogenic EHAARO CC[NH+](CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1 ZINC000003874580 210082776 /nfs/dbraw/zinc/08/27/76/210082776.db2.gz IQADUMSPOQKAAO-UHFFFAOYSA-N 1 0 335.488 3.646 50 0 world EHAARO O[C@H](C[NH2+]CCc1ccc(Cl)cc1Cl)COc1ccccc1 ZINC000003311832 210002969 /nfs/dbraw/zinc/00/29/69/210002969.db2.gz JCAAXTHZODTZFD-OAHLLOKOSA-N 1 0 340.250 3.565 50 0 EHAARO Cn1cc(C[NH2+]Cc2csc3ccccc23)c(-c2cccnc2)n1 ZINC000067220708 215124726 /nfs/dbraw/zinc/12/47/26/215124726.db2.gz HVCAOHJXJPVVDJ-UHFFFAOYSA-N 1 0 334.448 3.987 50 0 EHAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(CO)cc1 ZINC000067447077 215147364 /nfs/dbraw/zinc/14/73/64/215147364.db2.gz GGXGWJPTXNNJNJ-UHFFFAOYSA-N 1 0 327.424 3.966 50 0 EHAARO Clc1ccccc1-c1ccc(CNc2ncnc3c2CC[NH2+]C3)o1 ZINC000067675900 215180296 /nfs/dbraw/zinc/18/02/96/215180296.db2.gz RHPBAFRRAJSNFS-UHFFFAOYSA-N 1 0 340.814 3.648 50 0 EHAARO CCn1nc(C)c(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c1C ZINC000067676493 215182654 /nfs/dbraw/zinc/18/26/54/215182654.db2.gz JBTRDMFLECMCAB-NRFANRHFSA-N 1 0 344.547 3.608 50 0 EHAARO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)s1 ZINC000067743287 215200156 /nfs/dbraw/zinc/20/01/56/215200156.db2.gz KVMJVHLNTIQSBP-AWEZNQCLSA-N 1 0 347.509 3.973 50 0 EHAARO C[N@@H+](Cc1ccnc2ccccc12)Cc1cc2ccccc2[nH]c1=O ZINC000067783770 215210354 /nfs/dbraw/zinc/21/03/54/215210354.db2.gz LNIXQSTXSIEQSX-UHFFFAOYSA-N 1 0 329.403 3.708 50 0 EHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000067805377 215218159 /nfs/dbraw/zinc/21/81/59/215218159.db2.gz WKHAERVHZBHWIW-SFHVURJKSA-N 1 0 339.483 3.923 50 0 EHAARO CCn1ccc2ccc(C[NH+]3CCC(O)(c4ccc(C)cn4)CC3)cc21 ZINC000067872586 215238077 /nfs/dbraw/zinc/23/80/77/215238077.db2.gz PNLRONVHBFUGIB-UHFFFAOYSA-N 1 0 349.478 3.848 50 0 EHAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067908635 215246674 /nfs/dbraw/zinc/24/66/74/215246674.db2.gz VHBDYOAZFRZDNM-ZDUSSCGKSA-N 1 0 344.365 3.527 50 0 EHAARO C[NH+](C)CCCNC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000002627723 209877540 /nfs/dbraw/zinc/87/75/40/209877540.db2.gz LTGWLFPMTVYENR-UHFFFAOYSA-N 1 0 339.464 3.645 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)[C@@H](C)n1cccn1 ZINC000069372179 215391113 /nfs/dbraw/zinc/39/11/13/215391113.db2.gz LPSBFILJSCURKY-IAGOWNOFSA-N 1 0 336.439 3.596 50 0 EHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000069377239 215393044 /nfs/dbraw/zinc/39/30/44/215393044.db2.gz CUYYIPTWALRXFD-JFIYKMOQSA-N 1 0 337.467 3.712 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2ccc(Br)cc21 ZINC000001766174 209791519 /nfs/dbraw/zinc/79/15/19/209791519.db2.gz WCVHLLVFLIIMTE-UHFFFAOYSA-N 1 0 337.265 3.536 50 0 EHAARO CSCc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)o1 ZINC000040153257 213275043 /nfs/dbraw/zinc/27/50/43/213275043.db2.gz SIOZKNZUERXHOC-LBPRGKRZSA-N 1 0 330.453 3.878 50 0 EHAARO O[C@H](C[NH2+]Cc1cccc(Br)c1)c1ccc(F)cc1F ZINC000040088605 213261060 /nfs/dbraw/zinc/26/10/60/213261060.db2.gz REYGKFIFCVQYIN-OAHLLOKOSA-N 1 0 342.183 3.551 50 0 EHAARO C[C@H](CCc1ccccc1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000040071106 213257475 /nfs/dbraw/zinc/25/74/75/213257475.db2.gz POOGFCQFOOTZCJ-OAHLLOKOSA-N 1 0 331.504 3.616 50 0 EHAARO C[NH+](C)C[C@@H](NC(=O)/C=C/c1cccc2cccnc12)c1ccccc1 ZINC000040046886 213253752 /nfs/dbraw/zinc/25/37/52/213253752.db2.gz OIMMKPHDZOVVCX-FBRRREGBSA-N 1 0 345.446 3.667 50 0 EHAARO O=C(NCCCc1ccccc1)NCC1CC[NH+](C2CCCC2)CC1 ZINC000038674534 213220673 /nfs/dbraw/zinc/22/06/73/213220673.db2.gz KOLATTUXDZPSEH-UHFFFAOYSA-N 1 0 343.515 3.573 50 0 EHAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000069742556 215562637 /nfs/dbraw/zinc/56/26/37/215562637.db2.gz PWVYSPKVLPAUFT-UXHICEINSA-N 1 0 339.483 3.576 50 0 EHAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000036102553 213067678 /nfs/dbraw/zinc/06/76/78/213067678.db2.gz FTRHOUABDLLNBQ-IBGZPJMESA-N 1 0 331.431 3.784 50 0 EHAARO Cc1cccc(C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)c1 ZINC000036098795 213064682 /nfs/dbraw/zinc/06/46/82/213064682.db2.gz PREPWIBPBSLZON-NRFANRHFSA-N 1 0 325.452 3.537 50 0 EHAARO Clc1ccc(-n2nnnc2C2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000035622086 213042257 /nfs/dbraw/zinc/04/22/57/213042257.db2.gz KEGICADAWJUZFN-UHFFFAOYSA-N 1 0 345.878 3.961 50 0 EHAARO Cc1ccc(NC(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000033312155 212921770 /nfs/dbraw/zinc/92/17/70/212921770.db2.gz QXLKZDCTPFEFCJ-KRWDZBQOSA-N 1 0 329.488 3.971 50 0 EHAARO CC(C)OCc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000071857028 215886587 /nfs/dbraw/zinc/88/65/87/215886587.db2.gz LEHZXDCIUFPHFQ-LJQANCHMSA-N 1 0 345.487 3.704 50 0 EHAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1Cl ZINC000189724348 237185496 /nfs/dbraw/zinc/18/54/96/237185496.db2.gz FYFBDJCGJDITRH-CYBMUJFWSA-N 1 0 334.826 3.785 50 0 EHAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccncc2)CC1 ZINC000072142082 216027426 /nfs/dbraw/zinc/02/74/26/216027426.db2.gz UCXYTYKEHJVXFH-UHFFFAOYSA-N 1 0 336.357 3.584 50 0 EHAARO Cc1nnc(-c2ccc(OC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)o1 ZINC000072150696 216038653 /nfs/dbraw/zinc/03/86/53/216038653.db2.gz QEWMQCIJRXBPOY-FUHWJXTLSA-N 1 0 327.428 3.688 50 0 EHAARO Cn1ncc(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1C1CC1 ZINC000072147537 216035481 /nfs/dbraw/zinc/03/54/81/216035481.db2.gz JRCRZJSCZDJKDF-HNNXBMFYSA-N 1 0 349.482 3.629 50 0 EHAARO CSc1ccc(C[N@@H+]2CCCN(Cc3cccnc3)CC2)cc1 ZINC000072162659 216051905 /nfs/dbraw/zinc/05/19/05/216051905.db2.gz XFMMOUPENMZVLL-UHFFFAOYSA-N 1 0 327.497 3.511 50 0 EHAARO CC[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)CC[N@@H+]1C(C)C ZINC000072167653 216058123 /nfs/dbraw/zinc/05/81/23/216058123.db2.gz LBXZYAGHIIKTAI-LJQANCHMSA-N 1 0 330.520 3.829 50 0 EHAARO Cn1ncc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1C1CC1 ZINC000072463286 216245721 /nfs/dbraw/zinc/24/57/21/216245721.db2.gz BHQUIKCYPGVQFF-OAHLLOKOSA-N 1 0 335.455 3.553 50 0 EHAARO Cc1nn2c(nc(C)cc2NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000072476783 216254349 /nfs/dbraw/zinc/25/43/49/216254349.db2.gz PMXZBNLTQXIGMW-UHFFFAOYSA-N 1 0 349.482 3.862 50 0 EHAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+]1C[C@H]2CCC[C@@]2(CO)C1 ZINC000072477283 216255333 /nfs/dbraw/zinc/25/53/33/216255333.db2.gz LHYQGOQRCTYUAL-KUHUBIRLSA-N 1 0 346.858 3.898 50 0 EHAARO COc1ccccc1OC1CN(Cc2cccc([C@@H](C)[NH+](C)C)c2)C1 ZINC000072478852 216259073 /nfs/dbraw/zinc/25/90/73/216259073.db2.gz SFRTXKRPANDASR-MRXNPFEDSA-N 1 0 340.467 3.581 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1Cl ZINC000024189689 212412275 /nfs/dbraw/zinc/41/22/75/212412275.db2.gz RGAMVRPOHBEZIL-UHFFFAOYSA-N 1 0 328.843 3.866 50 0 EHAARO C[C@@H](c1ccc(-c2cccc(C(=O)N(C)C)n2)cc1)[NH+]1CCCCC1 ZINC000216332516 241184295 /nfs/dbraw/zinc/18/42/95/241184295.db2.gz USZNTJUHRYMWMO-INIZCTEOSA-N 1 0 337.467 3.997 50 0 EHAARO c1cc(C2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)n[nH]1 ZINC000215429349 241125702 /nfs/dbraw/zinc/12/57/02/241125702.db2.gz BLKZMVXLOPDCPN-UHFFFAOYSA-N 1 0 325.460 3.627 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000021960886 212266247 /nfs/dbraw/zinc/26/62/47/212266247.db2.gz SPIJQUBGYWVSDM-INIZCTEOSA-N 1 0 343.298 3.729 50 0 EHAARO COC1(C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCOCC1 ZINC000225714854 242001563 /nfs/dbraw/zinc/00/15/63/242001563.db2.gz OKXZPQSTQANJNJ-FRRDWIJNSA-N 1 0 329.893 3.679 50 0 EHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(OC)ccc1OC ZINC000021720940 212244475 /nfs/dbraw/zinc/24/44/75/212244475.db2.gz DUTPFMYNZPBTHO-INIZCTEOSA-N 1 0 330.428 3.900 50 0 EHAARO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000229419891 242161822 /nfs/dbraw/zinc/16/18/22/242161822.db2.gz APIBAPAPFRNTGG-GHTZIAJQSA-N 1 0 346.478 3.797 50 0 EHAARO Brc1cccc(C[NH2+]Cc2ccc3nccnc3c2)c1 ZINC000021635852 212236451 /nfs/dbraw/zinc/23/64/51/212236451.db2.gz KAEJDEVLZOOPNY-UHFFFAOYSA-N 1 0 328.213 3.682 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000237491386 242664499 /nfs/dbraw/zinc/66/44/99/242664499.db2.gz CGOFZMUMEOHHOW-IRHXVLAXSA-N 1 0 341.282 3.683 50 0 EHAARO COc1ccc(OC2CC[NH+](CCc3csc(C)n3)CC2)cc1 ZINC000020996079 212196882 /nfs/dbraw/zinc/19/68/82/212196882.db2.gz VLZGZTCJCOYTFQ-UHFFFAOYSA-N 1 0 332.469 3.546 50 0 EHAARO Cc1cc(C)n(CCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000020989326 212194365 /nfs/dbraw/zinc/19/43/65/212194365.db2.gz ZILNOVJOLILIKB-UHFFFAOYSA-N 1 0 340.471 3.515 50 0 EHAARO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000241720795 242998894 /nfs/dbraw/zinc/99/88/94/242998894.db2.gz QSISUNZLICRMLP-MOPGFXCFSA-N 1 0 340.467 3.929 50 0 EHAARO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1cccs1 ZINC000241720951 243001538 /nfs/dbraw/zinc/00/15/38/243001538.db2.gz QTPHZYPCBNFQIZ-RDJZCZTQSA-N 1 0 328.481 3.951 50 0 EHAARO CCCCSCc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)oc1C ZINC000244691740 243061150 /nfs/dbraw/zinc/06/11/50/243061150.db2.gz JIJREAJXSVHZLZ-CVEARBPZSA-N 1 0 336.501 3.588 50 0 EHAARO CSCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000243932307 243033070 /nfs/dbraw/zinc/03/30/70/243033070.db2.gz BUQOMAFWVHEZAH-LJQANCHMSA-N 1 0 346.540 3.643 50 0 EHAARO COc1ccc2[nH]c(CN3CCC[C@H]([NH+]4CCCC4)C3)c(C)c2c1 ZINC000020783605 212171917 /nfs/dbraw/zinc/17/19/17/212171917.db2.gz DCQLOKRQUVJICW-INIZCTEOSA-N 1 0 327.472 3.545 50 0 EHAARO CC[N@@H+](Cc1cncn1C1CCCCC1)C[C@H](O)c1cccc(O)c1 ZINC000244742275 243073179 /nfs/dbraw/zinc/07/31/79/243073179.db2.gz OETPFWIMEPFBTQ-FQEVSTJZSA-N 1 0 343.471 3.649 50 0 EHAARO CCCOc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000020595679 212149917 /nfs/dbraw/zinc/14/99/17/212149917.db2.gz PFEPJVDWYPYNJX-UHFFFAOYSA-N 1 0 330.472 3.566 50 0 EHAARO Fc1ccc(OC2CC[NH+](CCn3ncc4ccccc43)CC2)cc1 ZINC000020542208 212145229 /nfs/dbraw/zinc/14/52/29/212145229.db2.gz PSIWWOYMVJPQFY-UHFFFAOYSA-N 1 0 339.414 3.719 50 0 EHAARO N=C(NC(N)=[NH2+])Nc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000020459058 212133048 /nfs/dbraw/zinc/13/30/48/212133048.db2.gz CSOHMLLWJOYILW-UHFFFAOYSA-N 1 0 338.198 3.615 50 0 EHAARO CCc1ccc([C@](C)(O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440890 212128676 /nfs/dbraw/zinc/12/86/76/212128676.db2.gz JULWLWYVTQJTON-YADHBBJMSA-N 1 0 339.479 3.573 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000020102897 212100064 /nfs/dbraw/zinc/10/00/64/212100064.db2.gz ILKVZYSYOWKKBA-UHFFFAOYSA-N 1 0 348.490 3.792 50 0 EHAARO Cc1nc2sccn2c1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000077402303 216894365 /nfs/dbraw/zinc/89/43/65/216894365.db2.gz AJRCDOQHVMRPSO-UHFFFAOYSA-N 1 0 344.459 3.602 50 0 EHAARO Brc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019536680 212039711 /nfs/dbraw/zinc/03/97/11/212039711.db2.gz DNJUEFWUOICZCD-UHFFFAOYSA-N 1 0 345.284 3.767 50 0 EHAARO c1cnn(-c2ccccc2C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000084665071 217629040 /nfs/dbraw/zinc/62/90/40/217629040.db2.gz VQMFBPZSASFLCE-TZIWHRDSSA-N 1 0 333.435 3.740 50 0 EHAARO Cc1nc(N2CCC[C@@H]([NH2+]C3CCCC3)CC2)nc2ccc(F)cc12 ZINC000012325207 211348055 /nfs/dbraw/zinc/34/80/55/211348055.db2.gz ZLKSGQCFIBVRET-QGZVFWFLSA-N 1 0 342.462 3.968 50 0 EHAARO Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCOC4(CCCCC4)C3)c(C)n2n1 ZINC000090527711 217936512 /nfs/dbraw/zinc/93/65/12/217936512.db2.gz KDQISYDHNGBOHF-DOTOQJQBSA-N 1 0 342.487 3.879 50 0 EHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1)NC1CC1 ZINC000012092849 211289069 /nfs/dbraw/zinc/28/90/69/211289069.db2.gz XFDUVTNYDSOTKB-GFCCVEGCSA-N 1 0 326.893 3.672 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccc2[nH]ccc2c1 ZINC000012025785 211281742 /nfs/dbraw/zinc/28/17/42/211281742.db2.gz CALHODQEOAZDFJ-LJQANCHMSA-N 1 0 339.483 3.942 50 0 EHAARO CC(C)=CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011953103 211274797 /nfs/dbraw/zinc/27/47/97/211274797.db2.gz WVOLGQCZENDEOB-FQEVSTJZSA-N 1 0 330.447 3.606 50 0 EHAARO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2ccccc2)C1 ZINC000011874733 211263649 /nfs/dbraw/zinc/26/36/49/211263649.db2.gz GKRRTMNIFDTWEW-HXUWFJFHSA-N 1 0 331.406 3.782 50 0 EHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cnccn3)CC2)C1 ZINC000091434802 218004807 /nfs/dbraw/zinc/00/48/07/218004807.db2.gz GRLHHKBLPZJKPD-LJQANCHMSA-N 1 0 336.483 3.573 50 0 EHAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1c(F)cccc1F ZINC000011879662 211265068 /nfs/dbraw/zinc/26/50/68/211265068.db2.gz IDMPOWYRPFJRSO-AWEZNQCLSA-N 1 0 336.426 3.882 50 0 EHAARO CC1(C)C[N@H+](Cc2cnn(-c3ccccc3Cl)c2)CC[C@]1(C)O ZINC000091604537 218031667 /nfs/dbraw/zinc/03/16/67/218031667.db2.gz FGVIAROYWHZVRQ-SFHVURJKSA-N 1 0 333.863 3.509 50 0 EHAARO O=C1N(Cc2ccccc2F)CCC[C@]12CC[N@@H+](C1CCCC1)C2 ZINC000011844114 211256183 /nfs/dbraw/zinc/25/61/83/211256183.db2.gz RCEBQBSJLHDSMD-HXUWFJFHSA-N 1 0 330.447 3.583 50 0 EHAARO c1cn(CC2CC2)c(C2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000091724953 218053668 /nfs/dbraw/zinc/05/36/68/218053668.db2.gz YMALFOFWMXEWKV-UHFFFAOYSA-N 1 0 325.456 3.552 50 0 EHAARO Cc1ccsc1[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)[NH+](C)C ZINC000091726157 218054823 /nfs/dbraw/zinc/05/48/23/218054823.db2.gz FJRXOSIMOOTGKH-MRXNPFEDSA-N 1 0 346.471 3.646 50 0 EHAARO Cc1cc(N2CCCN(C(=O)c3ccc(Cl)c(C)c3)CC2)cc[nH+]1 ZINC000091780951 218065270 /nfs/dbraw/zinc/06/52/70/218065270.db2.gz JIMHCTOOOBRBAY-UHFFFAOYSA-N 1 0 343.858 3.704 50 0 EHAARO CCCOc1ccccc1[C@H](C)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091858109 218078576 /nfs/dbraw/zinc/07/85/76/218078576.db2.gz UQRWIFQKKJRJPP-INIZCTEOSA-N 1 0 330.472 3.529 50 0 EHAARO OCc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)o1 ZINC000091891841 218083720 /nfs/dbraw/zinc/08/37/20/218083720.db2.gz MKIGOAUPRPFJOY-RHSMWYFYSA-N 1 0 335.469 3.702 50 0 EHAARO CC(=O)Nc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000092660999 218157438 /nfs/dbraw/zinc/15/74/38/218157438.db2.gz ZKVIZUIPHPSBBX-UHFFFAOYSA-N 1 0 342.414 3.828 50 0 EHAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cccc(C)c1 ZINC000008968543 211024361 /nfs/dbraw/zinc/02/43/61/211024361.db2.gz VBAXXRXLHWISCR-SFHVURJKSA-N 1 0 333.391 3.785 50 0 EHAARO CC[C@@H]([NH2+]Cc1ccc(NS(=O)(=O)CC)cc1)c1ccccc1 ZINC000095395948 218327248 /nfs/dbraw/zinc/32/72/48/218327248.db2.gz BKJWJKOOFWCDQU-GOSISDBHSA-N 1 0 332.469 3.689 50 0 EHAARO Cc1ccc(NC(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000095404792 218340556 /nfs/dbraw/zinc/34/05/56/218340556.db2.gz FASGVSPIEKXGKK-UHFFFAOYSA-N 1 0 344.484 3.580 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]C2CCN(c3nc(C)cs3)CC2)cc1F ZINC000095419533 218359348 /nfs/dbraw/zinc/35/93/48/218359348.db2.gz MDLCCGVTTCMBPD-CYBMUJFWSA-N 1 0 349.475 3.919 50 0 EHAARO C[C@H]([NH2+]Cc1ccsc1)c1ccc(OCc2nccn2C)cc1 ZINC000095420290 218361111 /nfs/dbraw/zinc/36/11/11/218361111.db2.gz GRSGVWMQWZMGNZ-AWEZNQCLSA-N 1 0 327.453 3.911 50 0 EHAARO COc1cc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C)cc32)ccc1OCCO ZINC000095420775 218361759 /nfs/dbraw/zinc/36/17/59/218361759.db2.gz DUEFZCIFQLOCAY-DNVCBOLYSA-N 1 0 341.451 3.713 50 0 EHAARO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000095420800 218362059 /nfs/dbraw/zinc/36/20/59/218362059.db2.gz KSSOGABAUKOWFF-QGZVFWFLSA-N 1 0 346.515 3.697 50 0 EHAARO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccnc(OCC3CC3)c1)CCC2 ZINC000095422232 218364679 /nfs/dbraw/zinc/36/46/79/218364679.db2.gz QUAIJIFLDFQATA-HNNXBMFYSA-N 1 0 329.469 3.803 50 0 EHAARO CC(C)(C)SCCCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000095436026 218378748 /nfs/dbraw/zinc/37/87/48/218378748.db2.gz OZQOVARFLDGRFF-INIZCTEOSA-N 1 0 326.550 3.775 50 0 EHAARO Cc1cc2cccnc2c(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000095454280 218398399 /nfs/dbraw/zinc/39/83/99/218398399.db2.gz ZOPSUQICRRJLDH-UHFFFAOYSA-N 1 0 326.444 3.538 50 0 EHAARO O=C(C[NH+]1CCCCCC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000007334271 210784561 /nfs/dbraw/zinc/78/45/61/210784561.db2.gz OKFPCNVLOQCPLM-UHFFFAOYSA-N 1 0 344.455 3.933 50 0 EHAARO CCn1nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)nc1N(C)C ZINC000096147774 218625423 /nfs/dbraw/zinc/62/54/23/218625423.db2.gz FYIAOSFHYDZNKB-OAHLLOKOSA-N 1 0 327.476 3.578 50 0 EHAARO O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1C1CC[NH2+]CC1 ZINC000004992064 210352263 /nfs/dbraw/zinc/35/22/63/210352263.db2.gz QYUGIKNWZIWBIM-UHFFFAOYSA-N 1 0 346.434 3.592 50 0 EHAARO C[C@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000014551 208549267 /nfs/dbraw/zinc/54/92/67/208549267.db2.gz UYNVMODNBIQBMV-IERDGZPVSA-N 1 0 325.452 3.769 50 0 world EHAARO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCC(C)C ZINC000004867543 210307000 /nfs/dbraw/zinc/30/70/00/210307000.db2.gz LGBSNUBGSOOQLZ-UHFFFAOYSA-N 1 0 330.266 3.991 50 0 EHAARO C[C@@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000129296402 533135587 /nfs/dbraw/zinc/13/55/87/533135587.db2.gz RVEUVKUYIXDYIB-VXGBXAGGSA-N 1 0 344.286 3.648 50 0 EHAARO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)o1 ZINC000328587657 258046237 /nfs/dbraw/zinc/04/62/37/258046237.db2.gz DVDYPRXMUPAIAD-INIZCTEOSA-N 1 0 327.384 3.746 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000299740284 258010366 /nfs/dbraw/zinc/01/03/66/258010366.db2.gz YAALBHFNTPNSRO-HNNXBMFYSA-N 1 0 342.414 3.690 50 0 EHAARO COc1cccc(-c2cnc(-c3cccnc3)nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000299778129 258087441 /nfs/dbraw/zinc/08/74/41/258087441.db2.gz PSHGGMLQAIHGEJ-MRXNPFEDSA-N 1 0 346.434 3.681 50 0 EHAARO C[C@H]([NH2+]Cc1cccnc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000057568627 258061666 /nfs/dbraw/zinc/06/16/66/258061666.db2.gz JDXSSICCPOENDG-INIZCTEOSA-N 1 0 331.419 3.865 50 0 EHAARO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(-c2cncnc2)cc1 ZINC000155061993 533809171 /nfs/dbraw/zinc/80/91/71/533809171.db2.gz ICJPVIRUIAKCDF-AWEZNQCLSA-N 1 0 346.425 3.524 50 0 EHAARO CCOc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OCC ZINC000035360397 520714729 /nfs/dbraw/zinc/71/47/29/520714729.db2.gz GXCBBRLKTVDHNP-UHFFFAOYSA-N 1 0 337.851 3.514 50 0 EHAARO CSc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000299763943 526030226 /nfs/dbraw/zinc/03/02/26/526030226.db2.gz HPWNJZBKZVFPEY-INIZCTEOSA-N 1 0 333.501 3.891 50 0 EHAARO CCCOCC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216474507 535234472 /nfs/dbraw/zinc/23/44/72/535234472.db2.gz FIQHFQIEEPQDCD-HXUWFJFHSA-N 1 0 336.495 3.785 50 0 EHAARO CC[C@](O)(C[NH2+]C1CCSCC1)c1ccc(Br)cc1 ZINC000097228017 563970598 /nfs/dbraw/zinc/97/05/98/563970598.db2.gz CPFPWPWYJGWRPE-HNNXBMFYSA-N 1 0 344.318 3.532 50 0 EHAARO CC1(C)CC(NC(=S)Nc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000000173685 563252309 /nfs/dbraw/zinc/25/23/09/563252309.db2.gz PBDCJAAONDWSKE-UHFFFAOYSA-N 1 0 325.909 3.936 50 0 EHAARO COc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc2c1OCO2 ZINC000000211066 563260725 /nfs/dbraw/zinc/26/07/25/563260725.db2.gz LSKNGQNEXMJWPG-UHFFFAOYSA-N 1 0 339.435 3.879 50 0 EHAARO CC[NH+]1CCC(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000001460327 563390349 /nfs/dbraw/zinc/39/03/49/563390349.db2.gz UWWKBWKXCHLRFA-UHFFFAOYSA-N 1 0 336.435 3.525 50 0 EHAARO [NH2+]=C(C[C@@H](O)COc1ccccc1-c1ccccc1)N1CCCCC1 ZINC000002506518 563434920 /nfs/dbraw/zinc/43/49/20/563434920.db2.gz HSVZQQYIMKLNLN-GOSISDBHSA-N 1 0 338.451 3.947 50 0 in-vitro EHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccccc3F)c2)C1 ZINC000034675583 563445170 /nfs/dbraw/zinc/44/51/70/563445170.db2.gz UGFBUAILKYPALL-MRXNPFEDSA-N 1 0 342.414 3.663 50 0 EHAARO Cc1ccc(S[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000002881657 563461146 /nfs/dbraw/zinc/46/11/46/563461146.db2.gz LOXARIBRQQCSPJ-CQSZACIVSA-N 1 0 334.529 3.901 50 0 EHAARO Clc1ccc(-c2noc(CSC3=[NH+]C[C@H]4CCC[C@H]4N3)n2)cc1 ZINC000003126495 563473313 /nfs/dbraw/zinc/47/33/13/563473313.db2.gz SFJSSMLTPZMPFS-DGCLKSJQSA-N 1 0 348.859 3.751 50 0 EHAARO CC(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000005822560 563551522 /nfs/dbraw/zinc/55/15/22/563551522.db2.gz WKFLQIDVNPBRGQ-UHFFFAOYSA-N 1 0 337.467 3.814 50 0 EHAARO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000002694383 563602150 /nfs/dbraw/zinc/60/21/50/563602150.db2.gz IPTUVWGSQJSMDQ-KRWDZBQOSA-N 1 0 349.515 3.564 50 0 EHAARO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Cl)c1OC ZINC000008253687 563624716 /nfs/dbraw/zinc/62/47/16/563624716.db2.gz WLQLDFQNNVTOBG-UHFFFAOYSA-N 1 0 349.814 3.766 50 0 EHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1cccs1 ZINC000008472378 563630935 /nfs/dbraw/zinc/63/09/35/563630935.db2.gz JJSTUGQVFGIPLM-OAHLLOKOSA-N 1 0 333.453 3.604 50 0 EHAARO COc1cc(C[NH2+]CCCN2CCc3ccccc32)cc(Cl)c1O ZINC000032776919 563728778 /nfs/dbraw/zinc/72/87/78/563728778.db2.gz YUKIUFPRLBLCNJ-UHFFFAOYSA-N 1 0 346.858 3.597 50 0 EHAARO Cn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000014796397 563765083 /nfs/dbraw/zinc/76/50/83/563765083.db2.gz AXTAANNBLDKNMA-UHFFFAOYSA-N 1 0 347.462 3.573 50 0 EHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](C2CCC2)C1 ZINC000014969233 563769002 /nfs/dbraw/zinc/76/90/02/563769002.db2.gz QECVCAQIXFMHAR-HXUWFJFHSA-N 1 0 331.456 3.653 50 0 EHAARO O[C@@]1(c2cccs2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2 ZINC000015962250 563800833 /nfs/dbraw/zinc/80/08/33/563800833.db2.gz FBKWTPTXNAWJMT-QGZVFWFLSA-N 1 0 333.864 3.662 50 0 EHAARO COc1ccc2cc(C(=O)NCC(C)(C)[NH+]3CCCCC3)ccc2c1 ZINC000016699222 563821411 /nfs/dbraw/zinc/82/14/11/563821411.db2.gz VMQYCQDSNDIQKP-UHFFFAOYSA-N 1 0 340.467 3.843 50 0 EHAARO c1ccc(COc2ccccc2C[NH2+]Cc2ccc3c(c2)OCO3)nc1 ZINC000025311331 563883264 /nfs/dbraw/zinc/88/32/64/563883264.db2.gz JCHQJLWVUBTHDX-UHFFFAOYSA-N 1 0 348.402 3.679 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)c1ccsc1 ZINC000026149327 563890137 /nfs/dbraw/zinc/89/01/37/563890137.db2.gz ISBVGNRWMSLRCY-MSOLQXFVSA-N 1 0 343.496 3.801 50 0 EHAARO Cc1ccc(CN(C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000026179609 563890237 /nfs/dbraw/zinc/89/02/37/563890237.db2.gz XDHPTCCURNMQNQ-UHFFFAOYSA-N 1 0 331.504 3.754 50 0 EHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000027582130 563897204 /nfs/dbraw/zinc/89/72/04/563897204.db2.gz LXEFWPZLWFEYFH-HNNXBMFYSA-N 1 0 334.872 3.968 50 0 EHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(F)cc(F)c1 ZINC000027603252 563897583 /nfs/dbraw/zinc/89/75/83/563897583.db2.gz OTCSZUBRHRBHBS-OAHLLOKOSA-N 1 0 336.407 3.593 50 0 EHAARO C=CC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000027998669 563901088 /nfs/dbraw/zinc/90/10/88/563901088.db2.gz RFQNLMWUIJJEQF-UHFFFAOYSA-N 1 0 334.463 3.913 50 0 in-vitro EHAARO Cc1sc(-c2ccco2)nc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000030617423 563910141 /nfs/dbraw/zinc/91/01/41/563910141.db2.gz WNTKCXATQGUJAX-UHFFFAOYSA-N 1 0 347.484 3.751 50 0 EHAARO O=c1c2ccc(F)cc2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032541119 563913927 /nfs/dbraw/zinc/91/39/27/563913927.db2.gz VKWWACLTUCFTOV-QGZVFWFLSA-N 1 0 343.446 3.723 50 0 EHAARO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)CCc1ccc(O)cc1)CC2 ZINC000023282515 563919421 /nfs/dbraw/zinc/91/94/21/563919421.db2.gz FRJHNKLYKZVVNQ-OAHLLOKOSA-N 1 0 341.451 3.789 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ncccc1C)c1ccsc1 ZINC000046253526 563919579 /nfs/dbraw/zinc/91/95/79/563919579.db2.gz JLULMDQCULUZDE-HNNXBMFYSA-N 1 0 332.473 3.656 50 0 EHAARO C[NH+](C)CC(C)(C)CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000032967437 563920039 /nfs/dbraw/zinc/92/00/39/563920039.db2.gz LTOZJNJARFAUOF-UHFFFAOYSA-N 1 0 338.451 3.628 50 0 EHAARO CCC[NH+]1CCC(N(C)C(=O)c2c(C)oc3ccc(OC)cc32)CC1 ZINC000058268211 563941247 /nfs/dbraw/zinc/94/12/47/563941247.db2.gz RFQRMULCBWPVGQ-UHFFFAOYSA-N 1 0 344.455 3.696 50 0 EHAARO O=C1OCCN1CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000058378489 563944259 /nfs/dbraw/zinc/94/42/59/563944259.db2.gz PELKPFJEFXXJAH-HNNXBMFYSA-N 1 0 345.468 3.666 50 0 EHAARO COc1c(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c(C(C)C)nn1C ZINC000058419987 563945684 /nfs/dbraw/zinc/94/56/84/563945684.db2.gz MRGFXUYVWXYOCK-UHFFFAOYSA-N 1 0 344.434 3.505 50 0 EHAARO CCOc1cccc([C@@H](C)NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000058429781 563946208 /nfs/dbraw/zinc/94/62/08/563946208.db2.gz OTFIKTVXYZFFHH-MRXNPFEDSA-N 1 0 347.503 3.566 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)cc1 ZINC000096461414 563954054 /nfs/dbraw/zinc/95/40/54/563954054.db2.gz PZUAYWYKDLRARL-OAHLLOKOSA-N 1 0 348.450 3.990 50 0 EHAARO COc1ccc([C@@H](C)CC[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000096478417 563955135 /nfs/dbraw/zinc/95/51/35/563955135.db2.gz VARGGZKFLBRVTA-KRWDZBQOSA-N 1 0 339.483 3.842 50 0 EHAARO CCOc1cccc(OCC[N@@H+]2CCC[C@H]2c2c(C)noc2C)c1 ZINC000065404615 563960107 /nfs/dbraw/zinc/96/01/07/563960107.db2.gz YVFHJJPMFGMTDQ-SFHVURJKSA-N 1 0 330.428 3.906 50 0 EHAARO O=C1CCCN1C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000065431385 563960790 /nfs/dbraw/zinc/96/07/90/563960790.db2.gz SZTBOURTYKETGN-IBGZPJMESA-N 1 0 349.478 3.583 50 0 EHAARO Cc1cnc(C)nc1N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067561044 563962339 /nfs/dbraw/zinc/96/23/39/563962339.db2.gz CYBWVJMLBQWPFA-UHFFFAOYSA-N 1 0 340.814 3.965 50 0 EHAARO CC(C)(C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1)N1CCOCC1 ZINC000071415751 563964337 /nfs/dbraw/zinc/96/43/37/563964337.db2.gz LHBHCNICVWWQJC-IBGZPJMESA-N 1 0 348.506 3.581 50 0 EHAARO COc1cc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)cc(OC)c1 ZINC000071714958 563964837 /nfs/dbraw/zinc/96/48/37/563964837.db2.gz GLGSIZAWTUNHSA-OAQYLSRUSA-N 1 0 346.515 3.646 50 0 EHAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071770910 563965633 /nfs/dbraw/zinc/96/56/33/563965633.db2.gz GSQXENQZEUXIMW-AWEZNQCLSA-N 1 0 331.410 3.787 50 0 EHAARO Cc1csc(N2CCC([NH2+]CCc3cc(F)ccc3F)CC2)n1 ZINC000157213315 563966594 /nfs/dbraw/zinc/96/65/94/563966594.db2.gz NBAWWJHTVGHDRV-UHFFFAOYSA-N 1 0 337.439 3.531 50 0 EHAARO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000097139272 563968158 /nfs/dbraw/zinc/96/81/58/563968158.db2.gz HLJCKTSDNMSANX-CQSZACIVSA-N 1 0 330.501 3.599 50 0 EHAARO O=C1Nc2ccccc2NC12CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000082107820 563972356 /nfs/dbraw/zinc/97/23/56/563972356.db2.gz URBAMOFDRVJYDK-UHFFFAOYSA-N 1 0 346.434 3.567 50 0 EHAARO CC(C)c1cc(C(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)no1 ZINC000082120307 563972412 /nfs/dbraw/zinc/97/24/12/563972412.db2.gz QFZDQJDQWIAHGK-UHFFFAOYSA-N 1 0 341.455 3.666 50 0 EHAARO Cc1oc(-c2ccco2)nc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200745 563973279 /nfs/dbraw/zinc/97/32/79/563973279.db2.gz SPITUWXIYADPOV-OAHLLOKOSA-N 1 0 338.411 3.572 50 0 EHAARO Cc1sc2ncnc(N3C[C@H]4CC[C@H](C[N@H+]4CC4CC4)C3)c2c1C ZINC000095512223 563977282 /nfs/dbraw/zinc/97/72/82/563977282.db2.gz OITWZYAMCSQAJL-HZPDHXFCSA-N 1 0 342.512 3.619 50 0 EHAARO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000096150113 563979660 /nfs/dbraw/zinc/97/96/60/563979660.db2.gz YYLODJVQDUJGIQ-INIZCTEOSA-N 1 0 342.270 3.943 50 0 EHAARO O=C(NCC[C@H]1CCC[NH2+]1)Nc1ccc(Oc2ccccc2F)cc1 ZINC000097532775 563981693 /nfs/dbraw/zinc/98/16/93/563981693.db2.gz VAEMEFFHOKCBCX-CQSZACIVSA-N 1 0 343.402 3.882 50 0 EHAARO CSc1ccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1 ZINC000033395109 563983557 /nfs/dbraw/zinc/98/35/57/563983557.db2.gz IKCUGBWEQJRURS-PTNGSMBKSA-N 1 0 348.493 3.888 50 0 EHAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000000317542 563991019 /nfs/dbraw/zinc/99/10/19/563991019.db2.gz ITMUUYUFCGMYGA-KRWDZBQOSA-N 1 0 328.500 3.720 50 0 EHAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)nc2)[C@H]1c1cccs1 ZINC000248154529 563995369 /nfs/dbraw/zinc/99/53/69/563995369.db2.gz VEZHBPAPBRQEEP-LRDDRELGSA-N 1 0 349.887 3.609 50 0 EHAARO O=C([C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000252517504 563997834 /nfs/dbraw/zinc/99/78/34/563997834.db2.gz KHKSBJLGLRDZNI-PCCBWWKXSA-N 1 0 334.463 3.886 50 0 EHAARO COc1ccc([C@@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1F ZINC000033883909 563999900 /nfs/dbraw/zinc/99/99/00/563999900.db2.gz RZXCWNNAJOUUQF-YLJYHZDGSA-N 1 0 329.415 3.747 50 0 EHAARO C[NH2+][C@H](C(=O)c1ccc(Br)cc1)[C@@H](OC)c1ccccc1 ZINC000061886113 564002256 /nfs/dbraw/zinc/00/22/56/564002256.db2.gz YPTXQQNKIBOVCU-WBVHZDCISA-N 1 0 348.240 3.608 50 0 EHAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NC3CCCCC3)c12 ZINC000005348830 564003024 /nfs/dbraw/zinc/00/30/24/564003024.db2.gz OHRHJQXHIWOGAW-UHFFFAOYSA-N 1 0 329.492 3.744 50 0 EHAARO C[C@@H]1C[C@H](OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000000448489 564007094 /nfs/dbraw/zinc/00/70/94/564007094.db2.gz QUUUPSHLTILKRI-UXPWSPDFSA-N 1 0 331.500 3.637 50 0 EHAARO O=C(C[C@H]1CCCN1Cc1nc(-c2ccco2)no1)c1cccs1 ZINC000177397743 564013886 /nfs/dbraw/zinc/01/38/86/564013886.db2.gz NRWUZFFLAHRHFF-GFCCVEGCSA-N 1 0 343.408 3.629 50 0 EHAARO C[C@@H]1CCc2c(sc3[nH]c(C[N@H+](C)C4CCCCC4)nc(=O)c23)C1 ZINC000005695595 564019158 /nfs/dbraw/zinc/01/91/58/564019158.db2.gz CXQXXUANQFBUAC-GFCCVEGCSA-N 1 0 345.512 3.874 50 0 EHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000000506291 564019511 /nfs/dbraw/zinc/01/95/11/564019511.db2.gz SJVSUESXYZNAFJ-LJQANCHMSA-N 1 0 333.435 3.652 50 0 EHAARO O=C(Nc1nc(CN2CCCCC2)cs1)c1ccnc(C2CC2)c1 ZINC000341354696 564023105 /nfs/dbraw/zinc/02/31/05/564023105.db2.gz BIHYICZVULCGAX-UHFFFAOYSA-N 1 0 342.468 3.654 50 0 EHAARO CSc1ccccc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000047038279 564025639 /nfs/dbraw/zinc/02/56/39/564025639.db2.gz MNXVTXHVTYLLJM-HZPDHXFCSA-N 1 0 334.529 3.896 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)NCC1CCCC1 ZINC000106561967 564026471 /nfs/dbraw/zinc/02/64/71/564026471.db2.gz QLKLBJAEJJWRQH-PKOBYXMFSA-N 1 0 327.472 3.503 50 0 EHAARO Cc1nnc([C@@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)o1 ZINC000106852007 564026674 /nfs/dbraw/zinc/02/66/74/564026674.db2.gz BEPPSISHVIQAJU-HUUCEWRRSA-N 1 0 328.460 3.603 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1cccc(Cl)c1 ZINC000107524920 564026998 /nfs/dbraw/zinc/02/69/98/564026998.db2.gz XZQXVWMSMMXEEK-LSDHHAIUSA-N 1 0 345.874 3.811 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)o1 ZINC000108113687 564027784 /nfs/dbraw/zinc/02/77/84/564027784.db2.gz OBXJKMIFYULFOV-DLBZAZTESA-N 1 0 328.456 3.660 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccs1 ZINC000108113680 564027797 /nfs/dbraw/zinc/02/77/97/564027797.db2.gz XJZVPKOTIVVMQM-JKSUJKDBSA-N 1 0 330.497 3.820 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)s2)o1 ZINC000108495163 564028313 /nfs/dbraw/zinc/02/83/13/564028313.db2.gz ZCDSMADWMXFSFS-JSGCOSHPSA-N 1 0 332.469 3.871 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCc3ccccc32)CC1 ZINC000045757833 564028652 /nfs/dbraw/zinc/02/86/52/564028652.db2.gz UEEAZHRUJYOFAA-UHFFFAOYSA-N 1 0 349.478 3.732 50 0 EHAARO COC(=O)c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000048299700 564030777 /nfs/dbraw/zinc/03/07/77/564030777.db2.gz AYJDEIVZHQLWCW-KRWDZBQOSA-N 1 0 331.437 3.751 50 0 EHAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccccc2Cl)CC1 ZINC000048338707 564031201 /nfs/dbraw/zinc/03/12/01/564031201.db2.gz OJSPQCZSOYTEIC-ZDUSSCGKSA-N 1 0 340.920 3.811 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)COC2CCCC2)cc1 ZINC000048374047 564031641 /nfs/dbraw/zinc/03/16/41/564031641.db2.gz VDRCLYIEJAAOOR-MRXNPFEDSA-N 1 0 330.472 3.959 50 0 EHAARO Cc1ccc2nc(C[N@H+](Cc3ccco3)C3CCCC3)cc(=O)n2c1 ZINC000048374566 564031712 /nfs/dbraw/zinc/03/17/12/564031712.db2.gz GIOXUSOUNQIQEA-UHFFFAOYSA-N 1 0 337.423 3.541 50 0 EHAARO COc1ccc2cc(C[NH2+]Cc3cnc(N4CCCC4)nc3)ccc2c1 ZINC000048685800 564032064 /nfs/dbraw/zinc/03/20/64/564032064.db2.gz VRSOIECBNRCENE-UHFFFAOYSA-N 1 0 348.450 3.528 50 0 EHAARO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048784075 564032282 /nfs/dbraw/zinc/03/22/82/564032282.db2.gz MOMLSHZVWLMOHG-QGZVFWFLSA-N 1 0 340.471 3.782 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccco2)C1 ZINC000048885368 564032325 /nfs/dbraw/zinc/03/23/25/564032325.db2.gz ZBQHQOGGAXZVMT-HOTGVXAUSA-N 1 0 326.440 3.688 50 0 EHAARO Cc1occc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048884979 564032326 /nfs/dbraw/zinc/03/23/26/564032326.db2.gz IGKRSLAHLHKBTQ-HOTGVXAUSA-N 1 0 340.467 3.996 50 0 EHAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000117680198 564032745 /nfs/dbraw/zinc/03/27/45/564032745.db2.gz JLPPICQAWSOLCD-ROUUACIJSA-N 1 0 329.827 3.729 50 0 EHAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(F)c1 ZINC000000819159 564035258 /nfs/dbraw/zinc/03/52/58/564035258.db2.gz WRVSNHCJARYEHI-UHFFFAOYSA-N 1 0 325.343 3.567 50 0 EHAARO CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNNc1cccc(C)c1 ZINC000095471503 564036047 /nfs/dbraw/zinc/03/60/47/564036047.db2.gz CCBGPFUIRHMUMJ-BOPFTXTBSA-N 1 0 340.814 3.872 50 0 EHAARO COc1ccc2cc(C(=O)NCC3([NH+](C)C)CCCCCC3)[nH]c2c1 ZINC000032704068 564036110 /nfs/dbraw/zinc/03/61/10/564036110.db2.gz CGIRKYIZHWKLKL-UHFFFAOYSA-N 1 0 343.471 3.561 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)c2cccc3ncccc32)[NH+](C)C)cc1 ZINC000032734335 564036170 /nfs/dbraw/zinc/03/61/70/564036170.db2.gz LTRIYXIZFKFTQQ-OAQYLSRUSA-N 1 0 347.462 3.830 50 0 EHAARO COCc1cccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000221730403 564036395 /nfs/dbraw/zinc/03/63/95/564036395.db2.gz HTYUYRRLJDWJRK-OXJNMPFZSA-N 1 0 325.456 3.551 50 0 EHAARO FCCC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000225528737 564047549 /nfs/dbraw/zinc/04/75/49/564047549.db2.gz BEGLXDYNXYEKQO-UHFFFAOYSA-N 1 0 330.241 3.790 50 0 EHAARO CC[C@H](C)[NH2+][C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014989481 564051157 /nfs/dbraw/zinc/05/11/57/564051157.db2.gz LBAWGNYBAXPYOM-DOTOQJQBSA-N 1 0 326.488 3.994 50 0 EHAARO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3c(c2)CCC3)no1 ZINC000244734331 564052271 /nfs/dbraw/zinc/05/22/71/564052271.db2.gz NDOIOJCBNNINRA-IBGZPJMESA-N 1 0 339.439 3.637 50 0 EHAARO C[N@H+](CC(=O)NCc1ccccc1Cl)[C@H]1CCCc2ccccc21 ZINC000018935231 564052674 /nfs/dbraw/zinc/05/26/74/564052674.db2.gz WDBJQQFFIDZSKF-IBGZPJMESA-N 1 0 342.870 3.966 50 0 EHAARO Cc1cc2ccccc2n1CC(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000025173983 564053728 /nfs/dbraw/zinc/05/37/28/564053728.db2.gz CVIDDWGTTZRRBT-UHFFFAOYSA-N 1 0 344.418 3.833 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000012533716 564058344 /nfs/dbraw/zinc/05/83/44/564058344.db2.gz YHHRYVDBQKJEMO-UHFFFAOYSA-N 1 0 338.455 3.781 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C)c2)CC1 ZINC000012545296 564058842 /nfs/dbraw/zinc/05/88/42/564058842.db2.gz SGRHLKUONGYEEL-UHFFFAOYSA-N 1 0 341.430 3.528 50 0 EHAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000083877550 564064111 /nfs/dbraw/zinc/06/41/11/564064111.db2.gz ULHVKLFCEVLOFM-WOJBJXKFSA-N 1 0 338.451 3.506 50 0 EHAARO Cc1noc(C)c1C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084134911 564066885 /nfs/dbraw/zinc/06/68/85/564066885.db2.gz FTZCDFNUOAGYFK-GOSISDBHSA-N 1 0 326.396 3.620 50 0 EHAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000084291005 564067667 /nfs/dbraw/zinc/06/76/67/564067667.db2.gz FIYKUNPENLONRE-HNNXBMFYSA-N 1 0 345.450 3.918 50 0 EHAARO Cc1ccc(-c2ncc(C[NH2+][C@@H]3c4ccccc4C[C@@H]3O)s2)cc1 ZINC000085333750 564072711 /nfs/dbraw/zinc/07/27/11/564072711.db2.gz YYJRGZPWUNFCBD-RBUKOAKNSA-N 1 0 336.460 3.866 50 0 EHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C ZINC000075094179 564079944 /nfs/dbraw/zinc/07/99/44/564079944.db2.gz MNPAUIWVVPKAOQ-AAEUAGOBSA-N 1 0 327.831 3.816 50 0 EHAARO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccnc3Cl)cc21 ZINC000075144276 564080660 /nfs/dbraw/zinc/08/06/60/564080660.db2.gz MIBPOPDCBYNNRI-UHFFFAOYSA-N 1 0 342.830 3.504 50 0 EHAARO C[NH+](C)CCn1ccc2ccc(NC(=O)c3c(F)cccc3F)cc21 ZINC000075144337 564080736 /nfs/dbraw/zinc/08/07/36/564080736.db2.gz VUWFOTIQEPTKAS-UHFFFAOYSA-N 1 0 343.377 3.733 50 0 EHAARO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@]12O ZINC000075260494 564081272 /nfs/dbraw/zinc/08/12/72/564081272.db2.gz PTHIWJYDLMJRBA-GXRSIYKFSA-N 1 0 337.463 3.668 50 0 EHAARO CCC(=O)N1CCC([NH2+]Cc2cccc(OC3CCCCC3)c2)CC1 ZINC000089154303 564081867 /nfs/dbraw/zinc/08/18/67/564081867.db2.gz XXIARJYSPZNSMR-UHFFFAOYSA-N 1 0 344.499 3.889 50 0 EHAARO Cc1c([C@@H](C)NCc2nc(C3CC3)cs2)cnn1-c1ccccn1 ZINC000090460797 564084457 /nfs/dbraw/zinc/08/44/57/564084457.db2.gz PLOIGHWWWQREPV-GFCCVEGCSA-N 1 0 339.468 3.760 50 0 EHAARO Cc1ncccc1NC(=O)NCc1nccn1CCCc1ccccc1 ZINC000083575594 564086274 /nfs/dbraw/zinc/08/62/74/564086274.db2.gz OHCBMGGQYMQPFT-UHFFFAOYSA-N 1 0 349.438 3.541 50 0 EHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)NCC1CCCC1 ZINC000241701814 564088407 /nfs/dbraw/zinc/08/84/07/564088407.db2.gz QLKLBJAEJJWRQH-IEBWSBKVSA-N 1 0 327.472 3.503 50 0 EHAARO O[C@H](C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc(F)ccc1F ZINC000248712137 564089279 /nfs/dbraw/zinc/08/92/79/564089279.db2.gz CXHGIFQJPBQTBQ-VHKYSDTDSA-N 1 0 347.405 3.756 50 0 EHAARO CS[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1[NH+](C)C ZINC000089314098 564089635 /nfs/dbraw/zinc/08/96/35/564089635.db2.gz RLDNKEMOGWCJJY-STQMWFEESA-N 1 0 348.299 3.503 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(-c3ncco3)ccc2C)C1 ZINC000089335550 564089642 /nfs/dbraw/zinc/08/96/42/564089642.db2.gz MOOWNHNSUWIEBD-INIZCTEOSA-N 1 0 342.443 3.598 50 0 EHAARO CSc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000005152309 564093204 /nfs/dbraw/zinc/09/32/04/564093204.db2.gz DLBJFCFHPGLCMJ-UHFFFAOYSA-N 1 0 333.501 3.891 50 0 EHAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2Cl)cc1 ZINC000426465439 564093796 /nfs/dbraw/zinc/09/37/96/564093796.db2.gz KRCDSRVDNKENAM-MRXNPFEDSA-N 1 0 328.843 3.960 50 0 EHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036100552 564096105 /nfs/dbraw/zinc/09/61/05/564096105.db2.gz WZDPOTWTVAQYDQ-OAQYLSRUSA-N 1 0 327.468 3.785 50 0 EHAARO CCCC[NH+](CCCC)C[C@@H](O)COc1ccc(C(=O)CC)cc1 ZINC000006788464 564097840 /nfs/dbraw/zinc/09/78/40/564097840.db2.gz RRFQNYZJWNMIMR-GOSISDBHSA-N 1 0 335.488 3.921 50 0 EHAARO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249207565 564103691 /nfs/dbraw/zinc/10/36/91/564103691.db2.gz WVPMWODPKGAPPX-INWHNSBXSA-N 1 0 325.440 3.777 50 0 EHAARO C[NH+](C)Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1 ZINC000065504342 564106650 /nfs/dbraw/zinc/10/66/50/564106650.db2.gz AIQVLJJWZVQPOK-UHFFFAOYSA-N 1 0 338.407 3.777 50 0 EHAARO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc3cccnc32)CC1 ZINC000065522605 564106864 /nfs/dbraw/zinc/10/68/64/564106864.db2.gz BOMBOSIOAHQSCT-UHFFFAOYSA-N 1 0 326.444 3.573 50 0 EHAARO CC(C)[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000065591357 564107859 /nfs/dbraw/zinc/10/78/59/564107859.db2.gz OIVJUHUYKBNUGU-LJQANCHMSA-N 1 0 328.481 3.562 50 0 EHAARO C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1ccsc1 ZINC000089639841 564112841 /nfs/dbraw/zinc/11/28/41/564112841.db2.gz MVILPSVTUIZXIQ-AWEZNQCLSA-N 1 0 335.517 3.905 50 0 EHAARO CC(C)(C)c1ccc(N2CCC([NH2+]CC3=CCCOC3)CC2)cc1 ZINC000089725070 564113381 /nfs/dbraw/zinc/11/33/81/564113381.db2.gz BCWCDQLSQMHXKC-UHFFFAOYSA-N 1 0 328.500 3.889 50 0 EHAARO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)[nH]c1=O ZINC000089904650 564114976 /nfs/dbraw/zinc/11/49/76/564114976.db2.gz VDLVRHYIFBCHBM-NSHDSACASA-N 1 0 349.356 3.768 50 0 EHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@H](C)C1 ZINC000076057720 564115163 /nfs/dbraw/zinc/11/51/63/564115163.db2.gz AZKIADNHMUETQB-CXAGYDPISA-N 1 0 332.419 3.555 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000089948843 564115772 /nfs/dbraw/zinc/11/57/72/564115772.db2.gz UMYKZNGJNGDQOQ-DNVCBOLYSA-N 1 0 340.467 3.868 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)[C@H](CC)C1 ZINC000089948895 564115781 /nfs/dbraw/zinc/11/57/81/564115781.db2.gz JCTAEAFBGUJITN-CZUORRHYSA-N 1 0 326.843 3.606 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C)ccc1Br ZINC000007777009 564123006 /nfs/dbraw/zinc/12/30/06/564123006.db2.gz AMYLBNRQWQJYON-ABAIWWIYSA-N 1 0 339.277 3.864 50 0 EHAARO C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000253417797 564130799 /nfs/dbraw/zinc/13/07/99/564130799.db2.gz HCMVIVCIAYMTBD-LQBOVUBWSA-N 1 0 348.490 3.891 50 0 EHAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000253429001 564131313 /nfs/dbraw/zinc/13/13/13/564131313.db2.gz BSVNHEHVLKFVST-OAHLLOKOSA-N 1 0 343.393 3.739 50 0 EHAARO [NH3+]C1CCN(C(=O)c2ccc(-c3cc(F)ccc3Cl)cc2)CC1 ZINC000584889219 564131530 /nfs/dbraw/zinc/13/15/30/564131530.db2.gz XPWRGAKKVXZRIR-UHFFFAOYSA-N 1 0 332.806 3.709 50 0 EHAARO Cc1ccc(-c2ncc(CN3CCO[C@H](c4ccco4)C3)s2)o1 ZINC000093841816 564137992 /nfs/dbraw/zinc/13/79/92/564137992.db2.gz ULHVFGJGZVTVQL-INIZCTEOSA-N 1 0 330.409 3.878 50 0 EHAARO CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000095458779 564140723 /nfs/dbraw/zinc/14/07/23/564140723.db2.gz MEHDWLJEVIPAEJ-IAGOWNOFSA-N 1 0 344.503 3.542 50 0 EHAARO CC[C@@H](CSC)[N@H+](C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000095459553 564140747 /nfs/dbraw/zinc/14/07/47/564140747.db2.gz GRRQLKFVYNJENZ-KRWDZBQOSA-N 1 0 347.532 3.584 50 0 EHAARO COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCCSCC2)c1 ZINC000095468620 564141169 /nfs/dbraw/zinc/14/11/69/564141169.db2.gz AFOXKVIGOJIVKA-UHFFFAOYSA-N 1 0 344.480 3.608 50 0 EHAARO C[NH+](C)CCc1ccccc1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000095940183 564141970 /nfs/dbraw/zinc/14/19/70/564141970.db2.gz XWAOAMWLKQFZGM-QGZVFWFLSA-N 1 0 328.481 3.830 50 0 EHAARO COc1cc([C@@H](C)[NH2+]C[C@H]2COC(C)(C)O2)ccc1SC(F)F ZINC000095943529 564142107 /nfs/dbraw/zinc/14/21/07/564142107.db2.gz OTINHPAYJVNOAH-PWSUYJOCSA-N 1 0 347.427 3.812 50 0 EHAARO O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)C1CC[NH2+]CC1 ZINC000095971077 564143403 /nfs/dbraw/zinc/14/34/03/564143403.db2.gz KGAJSWCONFKLCA-UHFFFAOYSA-N 1 0 339.823 3.541 50 0 EHAARO CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000096003588 564144436 /nfs/dbraw/zinc/14/44/36/564144436.db2.gz URZHKDCKLZBCFC-SJORKVTESA-N 1 0 327.472 3.589 50 0 EHAARO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)n1cccn1)C1CCOCC1 ZINC000096479141 564148511 /nfs/dbraw/zinc/14/85/11/564148511.db2.gz MQOIBUWZIAIBDU-RDTXWAMCSA-N 1 0 333.863 3.531 50 0 EHAARO COc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc1SC ZINC000096479205 564148556 /nfs/dbraw/zinc/14/85/56/564148556.db2.gz XEWIRZVHMURKLR-XGINMYPSSA-N 1 0 329.465 3.726 50 0 EHAARO C[C@@H]1CC([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000097106947 564149406 /nfs/dbraw/zinc/14/94/06/564149406.db2.gz CPFWFKKCCDAZME-HUUCEWRRSA-N 1 0 340.508 3.569 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2cccc(Br)n2)cc1F ZINC000161712876 564149731 /nfs/dbraw/zinc/14/97/31/564149731.db2.gz MSJCVOPCEJESFM-JTQLQIEISA-N 1 0 339.208 3.843 50 0 EHAARO Cc1nn(C)c(C)c1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000055449049 564149909 /nfs/dbraw/zinc/14/99/09/564149909.db2.gz MARVRUMIRMDSFY-AWEZNQCLSA-N 1 0 340.471 3.664 50 0 EHAARO FC(F)(F)c1cccc(OC2CC[NH+](CCc3ncc[nH]3)CC2)c1 ZINC000670436121 564157201 /nfs/dbraw/zinc/15/72/01/564157201.db2.gz KGTUKSPLTKDZPP-UHFFFAOYSA-N 1 0 339.361 3.514 50 0 EHAARO Cc1csc2nc(C[N@H+](CC3CCCCC3)C3CC3)cc(=O)n12 ZINC000059409203 564161211 /nfs/dbraw/zinc/16/12/11/564161211.db2.gz LRHSIZILILWBJA-UHFFFAOYSA-N 1 0 331.485 3.609 50 0 EHAARO Cc1ccc([C@H](C)CC[NH+]2CCN(Cc3cccc(O)c3)CC2)o1 ZINC000670467426 564162747 /nfs/dbraw/zinc/16/27/47/564162747.db2.gz ZYTFVXMNNMBXIV-MRXNPFEDSA-N 1 0 328.456 3.605 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000008406238 564165154 /nfs/dbraw/zinc/16/51/54/564165154.db2.gz LZNZZJJXGYPHPA-UHFFFAOYSA-N 1 0 328.843 3.866 50 0 EHAARO C[C@@H](CNC(=O)Nc1cccc(OC(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000040120490 564168207 /nfs/dbraw/zinc/16/82/07/564168207.db2.gz OZDQCQONSXHERI-STQMWFEESA-N 1 0 341.402 3.530 50 0 EHAARO C[C@H]([C@H](C)[NH2+]Cc1ccccc1OCc1cccnc1)n1cccn1 ZINC000069415991 564169252 /nfs/dbraw/zinc/16/92/52/564169252.db2.gz CGDRNNCNMVMATP-DLBZAZTESA-N 1 0 336.439 3.596 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)cc1F ZINC000069534310 564170323 /nfs/dbraw/zinc/17/03/23/564170323.db2.gz RXJQZIYLBGQQDT-CYBMUJFWSA-N 1 0 348.466 3.608 50 0 EHAARO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000069737743 564171772 /nfs/dbraw/zinc/17/17/72/564171772.db2.gz QCTSNVFIFNSAPH-NEPJUHHUSA-N 1 0 344.286 3.648 50 0 EHAARO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000071837215 564175793 /nfs/dbraw/zinc/17/57/93/564175793.db2.gz NXEOYBBOOQWBJO-IBGZPJMESA-N 1 0 338.451 3.864 50 0 EHAARO O=C(c1ccoc1)N1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000071841964 564175863 /nfs/dbraw/zinc/17/58/63/564175863.db2.gz KJDIQAMHGHHHCU-HXUWFJFHSA-N 1 0 338.451 3.796 50 0 EHAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000071870394 564176158 /nfs/dbraw/zinc/17/61/58/564176158.db2.gz FUPRUKGYGLGSHD-IRXDYDNUSA-N 1 0 343.858 3.587 50 0 EHAARO O=C(CCc1ccccc1F)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000016449514 564177025 /nfs/dbraw/zinc/17/70/25/564177025.db2.gz FXZLWJOXVUWWBU-UHFFFAOYSA-N 1 0 326.415 3.993 50 0 EHAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)c1 ZINC000120622456 1025044239 /nfs/dbraw/zinc/04/42/39/1025044239.db2.gz DNFRJECCKCROGG-LJQANCHMSA-N 1 0 337.423 3.917 50 0 EHAARO CCN1CCCCc2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)sc21 ZINC000257175825 1034655745 /nfs/dbraw/zinc/65/57/45/1034655745.db2.gz AAIMUPDKZLWWMR-HNNXBMFYSA-N 1 0 349.544 3.515 50 0 EHAARO CC1CC[NH+](C2CCC(NC(=O)N3Cc4ccccc4C3)CC2)CC1 ZINC000152774373 1035009365 /nfs/dbraw/zinc/00/93/65/1035009365.db2.gz CHNSVDNXFPVHED-UHFFFAOYSA-N 1 0 341.499 3.755 50 0 EHAARO CCC(CC)(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261835407 1035729961 /nfs/dbraw/zinc/72/99/61/1035729961.db2.gz IMKSKHJBTISCDB-MRXNPFEDSA-N 1 0 336.907 3.984 50 0 EHAARO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCO[C@@H]3c3cccnc3)s2)o1 ZINC000343384887 1036968486 /nfs/dbraw/zinc/96/84/86/1036968486.db2.gz CHVJODNIVAZUOG-DOTOQJQBSA-N 1 0 341.436 3.726 50 0 EHAARO O=C(c1ccc2ccccc2n1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257195230 1038550711 /nfs/dbraw/zinc/55/07/11/1038550711.db2.gz VRAMUJHROPOFOX-KRWDZBQOSA-N 1 0 337.467 3.573 50 0 EHAARO Cc1nc(CC[C@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)no1 ZINC000675024737 1039942668 /nfs/dbraw/zinc/94/26/68/1039942668.db2.gz PJYFBILIHLJWJZ-KRWDZBQOSA-N 1 0 329.444 3.620 50 0 EHAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cn(CC)c3ccccc23)CC1 ZINC000064669806 1123707676 /nfs/dbraw/zinc/70/76/76/1123707676.db2.gz QFJPYCVKZWNNLS-MRXNPFEDSA-N 1 0 341.499 3.788 50 0 EHAARO O=C(NC1CC1)[C@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000057547509 1129907127 /nfs/dbraw/zinc/90/71/27/1129907127.db2.gz VGBRSHXZISNTSW-QGZVFWFLSA-N 1 0 332.806 3.589 50 0 EHAARO CCCn1c(C)cnc1C[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000575545559 1131568702 /nfs/dbraw/zinc/56/87/02/1131568702.db2.gz IFKGPRSHQPJRPZ-GOSISDBHSA-N 1 0 327.472 3.675 50 0 EHAARO COc1ccc(NC(=O)N2CCCCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000581788044 1132356206 /nfs/dbraw/zinc/35/62/06/1132356206.db2.gz QFGCUKCUAHPXHR-QGZVFWFLSA-N 1 0 331.460 3.568 50 0 EHAARO COc1ccc(C(=O)N2CCCCC[C@H]2C[NH+]2CCC(C)CC2)cc1 ZINC000581787837 1132356384 /nfs/dbraw/zinc/35/63/84/1132356384.db2.gz DWHWOJDZXPQTAU-IBGZPJMESA-N 1 0 344.499 3.812 50 0 EHAARO Cc1ccccc1C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)C1CC1 ZINC000585081443 1136966861 /nfs/dbraw/zinc/96/68/61/1136966861.db2.gz INDGRXXCMXNRBL-JOCHJYFZSA-N 1 0 346.478 3.746 50 0 EHAARO C[C@](CO)(C[NH2+]Cc1ccccc1OCC1CC1)c1ccccc1 ZINC000585083629 1136970084 /nfs/dbraw/zinc/97/00/84/1136970084.db2.gz TVGMOPXMZKDHCG-OAQYLSRUSA-N 1 0 325.452 3.515 50 0 EHAARO FC(F)Cn1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cn1 ZINC000585085731 1136982941 /nfs/dbraw/zinc/98/29/41/1136982941.db2.gz GTPDSGPQUHCSCX-AWEZNQCLSA-N 1 0 346.381 3.669 50 0 EHAARO O=C(c1cccc2cccc(O)c21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000630077320 1137297957 /nfs/dbraw/zinc/29/79/57/1137297957.db2.gz OGJNZYFIVXIMBG-QGZVFWFLSA-N 1 0 338.451 3.636 50 0 EHAARO CCCC[C@H]([NH2+]Cc1cnc(N2CCCCC2)nc1)c1cccnc1 ZINC000952989922 1137485762 /nfs/dbraw/zinc/48/57/62/1137485762.db2.gz IXNUGCJIFDNPRB-IBGZPJMESA-N 1 0 339.487 3.883 50 0 EHAARO O=C(/C=C/c1cccs1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000003208405 1138082075 /nfs/dbraw/zinc/08/20/75/1138082075.db2.gz KZWUJDSUPVYGEO-CMDGGOBGSA-N 1 0 326.465 3.542 50 0 EHAARO O=C1CCCN1C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000104729559 1139243232 /nfs/dbraw/zinc/24/32/32/1139243232.db2.gz GKFLVNXUOKAJOL-UHFFFAOYSA-N 1 0 334.463 3.940 50 0 EHAARO Fc1ccc2c(CC[NH2+]Cc3cnn(-c4ccccc4)c3)c[nH]c2c1 ZINC000051189367 214083269 /nfs/dbraw/zinc/08/32/69/214083269.db2.gz OEHJECUEOVDFCA-UHFFFAOYSA-N 1 0 334.398 3.825 50 0 EHAARO CC(=O)c1c[nH]c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1 ZINC000053720613 214194984 /nfs/dbraw/zinc/19/49/84/214194984.db2.gz SZPVQUAEDFDXQO-AWEZNQCLSA-N 1 0 339.439 3.844 50 0 EHAARO Clc1cccc2ccc(C[NH+]3CCC(Cn4ccnc4)CC3)nc12 ZINC000097717383 219050615 /nfs/dbraw/zinc/05/06/15/219050615.db2.gz SZOFDIXYICIJEN-UHFFFAOYSA-N 1 0 340.858 3.997 50 0 EHAARO Cc1csc2nc(C[N@@H+]3CCC[C@H]3c3cccc(C)c3)cc(=O)n12 ZINC000055910884 214347039 /nfs/dbraw/zinc/34/70/39/214347039.db2.gz DRDUSKHGQCGFLA-KRWDZBQOSA-N 1 0 339.464 3.710 50 0 EHAARO COc1ccccc1-c1cccc(NC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000097815385 219058727 /nfs/dbraw/zinc/05/87/27/219058727.db2.gz FHEPMCGXCKCLIK-MRXNPFEDSA-N 1 0 339.439 3.626 50 0 EHAARO CCc1ccc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)cc1 ZINC000004678462 210244236 /nfs/dbraw/zinc/24/42/36/210244236.db2.gz BEOULQBSXVQVNJ-UHFFFAOYSA-N 1 0 335.407 3.990 50 0 EHAARO C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000058169694 214492561 /nfs/dbraw/zinc/49/25/61/214492561.db2.gz QILOMTSVYDBHJG-LBPRGKRZSA-N 1 0 338.329 3.875 50 0 EHAARO C/C(=C\c1ccccc1)C[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000098052682 219073110 /nfs/dbraw/zinc/07/31/10/219073110.db2.gz RBFWGAHCKQWPLC-HTXNQAPBSA-N 1 0 335.495 3.782 50 0 EHAARO O=C(c1cccc2ccccc21)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004388347 210186657 /nfs/dbraw/zinc/18/66/57/210186657.db2.gz YRBYCXIINGBQSM-SFHVURJKSA-N 1 0 334.463 3.954 50 0 EHAARO CC(C)Oc1c(Cl)cccc1NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101355614 219123947 /nfs/dbraw/zinc/12/39/47/219123947.db2.gz PMWYYNVHIWZRMP-AWEZNQCLSA-N 1 0 349.862 3.605 50 0 EHAARO C[C@@H](CC1CC1)[NH+]1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 ZINC000048187600 213893797 /nfs/dbraw/zinc/89/37/97/213893797.db2.gz OLUGRNKHJGPQOB-AWEZNQCLSA-N 1 0 328.435 3.910 50 0 EHAARO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000102403423 219200561 /nfs/dbraw/zinc/20/05/61/219200561.db2.gz JPOVCYZDLHJWQL-ZSXDVEMLSA-N 1 0 344.474 3.889 50 0 EHAARO Clc1cc(Br)ccc1OCCOCC[NH+]1CCCC1 ZINC000003462072 210047296 /nfs/dbraw/zinc/04/72/96/210047296.db2.gz ASKHYWRLPFBVEM-UHFFFAOYSA-N 1 0 348.668 3.594 50 0 EHAARO CCC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CC1CC1 ZINC000003391945 210025470 /nfs/dbraw/zinc/02/54/70/210025470.db2.gz ZKUOWHKLZPRNRQ-CYBMUJFWSA-N 1 0 332.271 3.855 50 0 EHAARO COc1cccc2c(C)cc(-c3cc(C)cc4c3O[C@H](C[NH3+])C4)nc12 ZINC000067740885 215199428 /nfs/dbraw/zinc/19/94/28/215199428.db2.gz ANKCHQFRKPLRHC-HNNXBMFYSA-N 1 0 334.419 3.789 50 0 EHAARO O=C(NCC[C@H]1CCC[N@H+](Cc2ccncc2)C1)Nc1ccccc1 ZINC000067805161 215218181 /nfs/dbraw/zinc/21/81/81/215218181.db2.gz LYNKPAQJKLNGBD-QGZVFWFLSA-N 1 0 338.455 3.505 50 0 EHAARO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)[C@H](C)Cc3ncccc3C)cc2c1 ZINC000067909129 215248083 /nfs/dbraw/zinc/24/80/83/215248083.db2.gz OGGFMQLLZWCHIF-MRXNPFEDSA-N 1 0 335.451 3.603 50 0 EHAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(C)cc1Br ZINC000002824776 209923027 /nfs/dbraw/zinc/92/30/27/209923027.db2.gz XZORRJGRPUBUJO-ZDUSSCGKSA-N 1 0 330.266 3.541 50 0 EHAARO CCC(CC)[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C1CC1 ZINC000040151464 213273182 /nfs/dbraw/zinc/27/31/82/213273182.db2.gz SOPKYPMDSVZLID-AWEZNQCLSA-N 1 0 348.487 3.534 50 0 EHAARO C[C@H](O)C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000040009487 213250414 /nfs/dbraw/zinc/25/04/14/213250414.db2.gz ASSYXOANKQXVIT-LBPRGKRZSA-N 1 0 325.330 3.968 50 0 EHAARO Cc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000038584200 213216222 /nfs/dbraw/zinc/21/62/22/213216222.db2.gz FGNIMAIFEFJESK-UHFFFAOYSA-N 1 0 327.428 3.622 50 0 EHAARO COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000038344956 213207709 /nfs/dbraw/zinc/20/77/09/213207709.db2.gz FMXHUQVRXDIDLF-NRFANRHFSA-N 1 0 349.430 3.640 50 0 EHAARO CCC[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036099970 213065575 /nfs/dbraw/zinc/06/55/75/213065575.db2.gz IBXAYBRJJXUPCL-LJQANCHMSA-N 1 0 343.467 3.656 50 0 EHAARO Cc1ccc(-n2nnnc2C2([NH2+]CCc3ccccc3)CCCC2)cc1 ZINC000035622118 213042264 /nfs/dbraw/zinc/04/22/64/213042264.db2.gz KRVLQHAEJKQVPE-UHFFFAOYSA-N 1 0 347.466 3.572 50 0 EHAARO Cc1cccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCCC2)c1 ZINC000035622489 213042395 /nfs/dbraw/zinc/04/23/95/213042395.db2.gz LSVIPPIAGSHHAW-UHFFFAOYSA-N 1 0 325.460 3.662 50 0 EHAARO CC1(C)C[C@@H](C[N@@H+]2CCCN(Cc3ccccc3F)CC2)CCO1 ZINC000072127345 216018027 /nfs/dbraw/zinc/01/80/27/216018027.db2.gz AYCRXVAKLJHQQE-KRWDZBQOSA-N 1 0 334.479 3.539 50 0 EHAARO COC(=O)c1cc(C[N@H+](C)Cc2cccc3ncccc23)cs1 ZINC000072133553 216022510 /nfs/dbraw/zinc/02/25/10/216022510.db2.gz QTCFKIMMQUTXDQ-UHFFFAOYSA-N 1 0 326.421 3.715 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cc1=O ZINC000072145879 216032383 /nfs/dbraw/zinc/03/23/83/216032383.db2.gz TXMVBEYTZPCSKO-SFHVURJKSA-N 1 0 326.440 3.783 50 0 EHAARO O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CC[C@H]1[NH2+]C1CCCC1 ZINC000072148321 216034648 /nfs/dbraw/zinc/03/46/48/216034648.db2.gz IKVLEZNTXUNGJV-UXHICEINSA-N 1 0 339.483 3.670 50 0 EHAARO CCn1ncc(C[N@@H+]2CCC[C@H](COc3ccc(OC)cc3)C2)c1C ZINC000072169738 216060721 /nfs/dbraw/zinc/06/07/21/216060721.db2.gz BXLALFKQVZRXCY-KRWDZBQOSA-N 1 0 343.471 3.511 50 0 EHAARO O[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000401592 209569697 /nfs/dbraw/zinc/56/96/97/209569697.db2.gz RUPWEIHMVFBUON-PMACEKPBSA-N 1 0 329.390 3.552 50 0 EHAARO CN1C[C@]2(CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)OC1=O ZINC000072422249 216211639 /nfs/dbraw/zinc/21/16/39/216211639.db2.gz QDBDWHKTKAGORD-SFHVURJKSA-N 1 0 346.814 3.627 50 0 EHAARO Clc1cccc(OC2CN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)c1 ZINC000072428359 216219437 /nfs/dbraw/zinc/21/94/37/216219437.db2.gz XWMIYQKGVXNRPZ-HNAYVOBHSA-N 1 0 334.891 3.668 50 0 EHAARO c1ccc(CC[N@@H+]2CCC[C@H](Nc3cnc4ccccc4n3)C2)cc1 ZINC000072426933 216218158 /nfs/dbraw/zinc/21/81/58/216218158.db2.gz ZAZQRFOSGIPHLQ-SFHVURJKSA-N 1 0 332.451 3.749 50 0 EHAARO Cc1nc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)co1 ZINC000072436037 216230347 /nfs/dbraw/zinc/23/03/47/216230347.db2.gz CPKVIQFZVMWDOJ-SLFFLAALSA-N 1 0 326.440 3.635 50 0 EHAARO COc1cc(C[NH2+][C@H]2CCOc3ccccc32)cc(Cl)c1OC ZINC000025357477 212475665 /nfs/dbraw/zinc/47/56/65/212475665.db2.gz LGEJIHXOOZSPKK-HNNXBMFYSA-N 1 0 333.815 3.971 50 0 EHAARO COC(=O)c1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000024928139 212448263 /nfs/dbraw/zinc/44/82/63/212448263.db2.gz BKYVJIPEZHGOSD-UHFFFAOYSA-N 1 0 337.419 3.568 50 0 EHAARO CCOc1ccccc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000022766903 212322138 /nfs/dbraw/zinc/32/21/38/212322138.db2.gz CKPCEYOLTSAMKM-OAHLLOKOSA-N 1 0 333.457 3.571 50 0 EHAARO Cc1ccc(-n2nnnc2C2(NCc3ccccc3)CCCCC2)cc1 ZINC000022436708 212297228 /nfs/dbraw/zinc/29/72/28/212297228.db2.gz ATXFZJPBVSWNOE-UHFFFAOYSA-N 1 0 347.466 3.920 50 0 EHAARO Cc1ccc(-n2cc(C[NH+]3CCC(c4cc[nH]n4)CC3)cn2)cc1C ZINC000215864643 241151388 /nfs/dbraw/zinc/15/13/88/241151388.db2.gz AHUPJHSCCADSEP-UHFFFAOYSA-N 1 0 335.455 3.592 50 0 EHAARO C[N@H+](Cc1ccc([C@@H]2CCCO2)s1)Cc1ccc2nonc2c1 ZINC000216170948 241172726 /nfs/dbraw/zinc/17/27/26/241172726.db2.gz VPSZXRJPCKWWCZ-INIZCTEOSA-N 1 0 329.425 3.768 50 0 EHAARO Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)C[C@@H]1c1cccs1 ZINC000227150455 242121064 /nfs/dbraw/zinc/12/10/64/242121064.db2.gz QWCOJHPPWYMUAL-CABCVRRESA-N 1 0 329.469 3.523 50 0 EHAARO Fc1ccc(OC2CC[NH+](CCc3cn4ccsc4n3)CC2)cc1 ZINC000020906434 212186808 /nfs/dbraw/zinc/18/68/08/212186808.db2.gz FSODEUNIKKVZAH-UHFFFAOYSA-N 1 0 345.443 3.621 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000244788072 243082545 /nfs/dbraw/zinc/08/25/45/243082545.db2.gz QIUUCSPEYMCHNK-HNNXBMFYSA-N 1 0 344.890 3.584 50 0 EHAARO [NH3+][C@H]1C[C@H](c2cc(NCCCc3ccccc3F)nc(C3CC3)n2)C1 ZINC000244795033 243086549 /nfs/dbraw/zinc/08/65/49/243086549.db2.gz QYKAJGBPSBRASU-WKILWMFISA-N 1 0 340.446 3.743 50 0 EHAARO [NH3+][C@H]1C[C@H](c2cc(NCc3cccc4[nH]ccc43)nc(C3CC3)n2)C1 ZINC000244882829 243096611 /nfs/dbraw/zinc/09/66/11/243096611.db2.gz XZUVPFBAZYJZQI-SHTZXODSSA-N 1 0 333.439 3.652 50 0 EHAARO C[NH+]1CCN(CCOc2ccc(Cl)cc2Cc2ccccc2)CC1 ZINC000020639613 212158764 /nfs/dbraw/zinc/15/87/64/212158764.db2.gz DZCCAWPARGYVRA-UHFFFAOYSA-N 1 0 344.886 3.557 50 0 EHAARO CC[NH+]1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000020608748 212154269 /nfs/dbraw/zinc/15/42/69/212154269.db2.gz LYFALIPBVMYAIN-UHFFFAOYSA-N 1 0 336.479 3.809 50 0 EHAARO CC(C)CCC[C@@H]1C[N@@H+](C2CCN(Cc3ccccn3)CC2)CCO1 ZINC000020514779 212142462 /nfs/dbraw/zinc/14/24/62/212142462.db2.gz GKLTXNOHFDTKLW-OAQYLSRUSA-N 1 0 345.531 3.573 50 0 EHAARO Cc1c[nH]c(C[N@H+](C)CCCOc2ccccc2Cl)c(C)c1=O ZINC000253536362 244012827 /nfs/dbraw/zinc/01/28/27/244012827.db2.gz DKBOISVXLRQNPN-UHFFFAOYSA-N 1 0 334.847 3.958 50 0 EHAARO COc1ccc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)cc1 ZINC000020208651 212112507 /nfs/dbraw/zinc/11/25/07/212112507.db2.gz FZJOQEKJGJHOHW-AWEZNQCLSA-N 1 0 334.423 3.706 50 0 EHAARO C/C=C/c1ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000020168380 212108039 /nfs/dbraw/zinc/10/80/39/212108039.db2.gz MHZQKMXGLYPPHD-DIYXLRBJSA-N 1 0 333.472 3.997 50 0 EHAARO Cc1ccc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)s1 ZINC000019794599 212068815 /nfs/dbraw/zinc/06/88/15/212068815.db2.gz ZEDURXFUUGOQRM-SFHVURJKSA-N 1 0 336.545 3.505 50 0 EHAARO Brc1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000019788500 212066951 /nfs/dbraw/zinc/06/69/51/212066951.db2.gz DZMYYDXBIXXGTO-INIZCTEOSA-N 1 0 349.316 3.923 50 0 EHAARO COc1cccc(CN2CC[NH+](C3CCCCCC3)CC2)c1OC ZINC000019788632 212067032 /nfs/dbraw/zinc/06/70/32/212067032.db2.gz SXJCRHIYNHUSTD-UHFFFAOYSA-N 1 0 332.488 3.544 50 0 EHAARO CCN(C(=O)Nc1cc(C)on1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000079021036 217175599 /nfs/dbraw/zinc/17/55/99/217175599.db2.gz SEIJBWYOPXOABA-RDJZCZTQSA-N 1 0 342.443 3.672 50 0 EHAARO C/C(=C/C(=O)N1CCC([NH+](C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000080161727 217283877 /nfs/dbraw/zinc/28/38/77/217283877.db2.gz SKEHNENTMAHNPF-QBFSEMIESA-N 1 0 340.389 3.661 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 ZINC000014967629 211779937 /nfs/dbraw/zinc/77/99/37/211779937.db2.gz RPNUUCCBVBXCIA-IBGZPJMESA-N 1 0 347.466 3.612 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)C1=CCCCC1 ZINC000012479713 211391788 /nfs/dbraw/zinc/39/17/88/211391788.db2.gz YOXDMGHZAOCJQA-HXUWFJFHSA-N 1 0 326.484 3.700 50 0 EHAARO CN1CCC[C@@]2(CC[N@H+](Cc3sc4ccccc4c3Cl)C2)C1=O ZINC000012298981 211337880 /nfs/dbraw/zinc/33/78/80/211337880.db2.gz UUMOIBNWGNTFJM-SFHVURJKSA-N 1 0 348.899 3.999 50 0 EHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](C[C@@H](C)CC)CC1 ZINC000012201171 211318754 /nfs/dbraw/zinc/31/87/54/211318754.db2.gz SGRJOSYMLHNEBW-KRWDZBQOSA-N 1 0 347.499 3.929 50 0 EHAARO OCC1(Cc2ccccc2)CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000012028324 211281702 /nfs/dbraw/zinc/28/17/02/211281702.db2.gz WEPKDTXAHUNBNA-UHFFFAOYSA-N 1 0 331.406 3.782 50 0 EHAARO C[C@H](Cc1ccccc1F)[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000011934315 211272522 /nfs/dbraw/zinc/27/25/22/211272522.db2.gz RJPIOPPCGABURE-OAHLLOKOSA-N 1 0 332.463 3.528 50 0 EHAARO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000011819574 211251963 /nfs/dbraw/zinc/25/19/63/211251963.db2.gz JTURJHJNPZBHPM-INIZCTEOSA-N 1 0 344.459 3.920 50 0 EHAARO CC[N@H+](CCO)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000011873916 211262704 /nfs/dbraw/zinc/26/27/04/211262704.db2.gz DPSGBHLDANYYSK-UHFFFAOYSA-N 1 0 341.499 3.949 50 0 EHAARO CSc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000011842353 211256665 /nfs/dbraw/zinc/25/66/65/211256665.db2.gz STDRYRMNKCOICE-HXUWFJFHSA-N 1 0 344.524 3.633 50 0 EHAARO O=C(c1ccc(Cl)s1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000011844457 211256122 /nfs/dbraw/zinc/25/61/22/211256122.db2.gz JAYBJGLHLIZUBX-KRWDZBQOSA-N 1 0 338.904 3.740 50 0 EHAARO CC(C)/C=C/C[N@@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000011839752 211254048 /nfs/dbraw/zinc/25/40/48/211254048.db2.gz FLEPTIWCTWGHBC-ONEGZZNKSA-N 1 0 326.396 3.641 50 0 EHAARO O=C(C1=CCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011753503 211243191 /nfs/dbraw/zinc/24/31/91/211243191.db2.gz HYVQCOHGTLDVHL-OAQYLSRUSA-N 1 0 342.458 3.751 50 0 EHAARO COCC[C@@]1(CO)CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000091713384 218054048 /nfs/dbraw/zinc/05/40/48/218054048.db2.gz SOQZTDNVSVGKMY-NRFANRHFSA-N 1 0 347.499 3.619 50 0 EHAARO CN(C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000092045491 218109286 /nfs/dbraw/zinc/10/92/86/218109286.db2.gz TVPLSFFZCYQZOQ-TZIWHRDSSA-N 1 0 349.478 3.839 50 0 EHAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000010090894 211147274 /nfs/dbraw/zinc/14/72/74/211147274.db2.gz FLKPVHFFURJGBF-NRFANRHFSA-N 1 0 347.462 3.664 50 0 EHAARO CC(C)CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C ZINC000009942207 211134213 /nfs/dbraw/zinc/13/42/13/211134213.db2.gz LWPQTPSOUZQDEC-UHFFFAOYSA-N 1 0 342.487 3.934 50 0 EHAARO CCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095361582 218293889 /nfs/dbraw/zinc/29/38/89/218293889.db2.gz QCDRCEZGCXKSFM-GOSISDBHSA-N 1 0 326.484 3.657 50 0 EHAARO COc1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000008917444 211018147 /nfs/dbraw/zinc/01/81/47/211018147.db2.gz MSKWVSOPSRZUTG-FQEVSTJZSA-N 1 0 338.451 3.652 50 0 biogenic EHAARO Cc1ncsc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095386147 218318437 /nfs/dbraw/zinc/31/84/37/218318437.db2.gz APIZOVJDQRCLEK-ZWKOTPCHSA-N 1 0 327.497 3.548 50 0 EHAARO Cn1cc(CCC[N@H+](C)[C@H](c2ccc(F)cc2)c2cccnc2)cn1 ZINC000095395807 218327092 /nfs/dbraw/zinc/32/70/92/218327092.db2.gz JBIPVYZJDRGBFD-HXUWFJFHSA-N 1 0 338.430 3.608 50 0 EHAARO COc1cc(OC)c2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008717950 210988503 /nfs/dbraw/zinc/98/85/03/210988503.db2.gz DKEHILQCNMRKMH-UHFFFAOYSA-N 1 0 330.428 3.642 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(CN2CCc3ccccc32)cc1)c1cnccn1 ZINC000095419854 218359739 /nfs/dbraw/zinc/35/97/39/218359739.db2.gz DIJQTOBWTMMPLT-QGZVFWFLSA-N 1 0 344.462 3.890 50 0 EHAARO c1ccc(C([NH2+]CCc2nnc3n2CCCCC3)c2ccccc2)cc1 ZINC000095427082 218369561 /nfs/dbraw/zinc/36/95/61/218369561.db2.gz QCDDBBFTBARYEE-UHFFFAOYSA-N 1 0 346.478 3.926 50 0 EHAARO CC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1cccc(OC)c1 ZINC000095420306 218360474 /nfs/dbraw/zinc/36/04/74/218360474.db2.gz WKPIWPQPUHEWHV-IBGZPJMESA-N 1 0 325.456 3.800 50 0 EHAARO CC(=O)Nc1ccc(CC[NH2+][C@H](CC(C)C)c2ccccn2)cc1 ZINC000095421784 218364152 /nfs/dbraw/zinc/36/41/52/218364152.db2.gz NHYQKEGAGQDCCR-HXUWFJFHSA-N 1 0 325.456 3.960 50 0 EHAARO Cc1nccc(C2CC[NH+](C[C@H]3CCOc4ccccc4C3)CC2)n1 ZINC000095522509 218427049 /nfs/dbraw/zinc/42/70/49/218427049.db2.gz HLRQSTLCLRIVRU-KRWDZBQOSA-N 1 0 337.467 3.606 50 0 EHAARO CCNC(=O)N1CCC([NH2+][C@H](C)c2cc3cc(Cl)ccc3o2)CC1 ZINC000095986476 218492957 /nfs/dbraw/zinc/49/29/57/218492957.db2.gz GQNFPCKGNDSKKT-GFCCVEGCSA-N 1 0 349.862 3.931 50 0 EHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000006462826 210636472 /nfs/dbraw/zinc/63/64/72/210636472.db2.gz DMWFBILNXAORPD-UHFFFAOYSA-N 1 0 346.471 3.704 50 0 EHAARO COc1cc(/C=C/c2ccc3ccccc3[n+]2C)ccc1OC(C)=O ZINC000005020936 210365584 /nfs/dbraw/zinc/36/55/84/210365584.db2.gz NSQKBMVTVVFIKZ-DHZHZOJOSA-N 1 0 334.395 3.769 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000299740285 258009971 /nfs/dbraw/zinc/00/99/71/258009971.db2.gz YAALBHFNTPNSRO-OAHLLOKOSA-N 1 0 342.414 3.690 50 0 EHAARO CC(C)(C)SCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299771594 258084042 /nfs/dbraw/zinc/08/40/42/258084042.db2.gz URZZKAHEONKKMQ-KSZLIROESA-N 1 0 346.540 3.860 50 0 EHAARO Cc1ccccc1-c1cnc(-c2ccncc2)nc1[C@H]1CCC[NH2+]C1 ZINC000299790672 258096312 /nfs/dbraw/zinc/09/63/12/258096312.db2.gz CEYLAGPVOFWSSL-KRWDZBQOSA-N 1 0 330.435 3.981 50 0 EHAARO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(c2nncn2C)CC1 ZINC000089905149 258066352 /nfs/dbraw/zinc/06/63/52/258066352.db2.gz GHFDYRFFZVLGEK-LBPRGKRZSA-N 1 0 349.276 3.518 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000269119212 522042275 /nfs/dbraw/zinc/04/22/75/522042275.db2.gz XJSBMVQSRJQSAQ-FPMFFAJLSA-N 1 0 341.282 3.555 50 0 EHAARO CC[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(OC2CCCC2)cc1 ZINC000095422289 522558600 /nfs/dbraw/zinc/55/86/00/522558600.db2.gz ANXPJUVQUFNVLM-IBGZPJMESA-N 1 0 345.487 3.592 50 0 EHAARO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)C[C@H]2[C@H]1c1ccccc1 ZINC000241466208 524015083 /nfs/dbraw/zinc/01/50/83/524015083.db2.gz NVOFFOINPHZWON-OZOXKJRCSA-N 1 0 345.446 3.543 50 0 EHAARO CCc1cnc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000195558548 536051892 /nfs/dbraw/zinc/05/18/92/536051892.db2.gz MEDWQVACEVMUFX-CYBMUJFWSA-N 1 0 339.505 3.585 50 0 EHAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000016183676 563805113 /nfs/dbraw/zinc/80/51/13/563805113.db2.gz WIYQPGDOIYFSQF-YRGRVCCFSA-N 1 0 332.271 3.996 50 0 EHAARO CCC(CC)[C@H](CNc1nccc(C(F)(F)F)n1)[NH+]1CCCC1 ZINC000058666353 563947087 /nfs/dbraw/zinc/94/70/87/563947087.db2.gz HLVLCBBHMUUALT-ZDUSSCGKSA-N 1 0 330.398 3.808 50 0 EHAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000000568441 563348312 /nfs/dbraw/zinc/34/83/12/563348312.db2.gz ZKPIFTIJAUPDEP-UHFFFAOYSA-N 1 0 338.407 3.654 50 0 EHAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000002735157 563447729 /nfs/dbraw/zinc/44/77/29/563447729.db2.gz HIKHXOYTZDHFOJ-LJQANCHMSA-N 1 0 340.442 3.696 50 0 EHAARO CC(=O)c1ccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000004981269 563517068 /nfs/dbraw/zinc/51/70/68/563517068.db2.gz OJZWUNOAAUOPSP-QFIPXVFZSA-N 1 0 334.463 3.569 50 0 EHAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c(C)o1 ZINC000012592282 563664601 /nfs/dbraw/zinc/66/46/01/563664601.db2.gz GSBWFPRIKGXNCS-IBGZPJMESA-N 1 0 340.467 3.723 50 0 EHAARO CCCO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000012705521 563667834 /nfs/dbraw/zinc/66/78/34/563667834.db2.gz GCRXGEMRISJXQX-MRXNPFEDSA-N 1 0 331.435 3.617 50 0 EHAARO O=C(CCC(=O)c1cccs1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014083913 563738582 /nfs/dbraw/zinc/73/85/82/563738582.db2.gz ALQQROPVRHVAQO-UHFFFAOYSA-N 1 0 342.464 3.946 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+]CCSCc2ccccc2F)cc1 ZINC000014138731 563744395 /nfs/dbraw/zinc/74/43/95/563744395.db2.gz MHPGPNZIEFDOPT-UHFFFAOYSA-N 1 0 332.444 3.807 50 0 EHAARO Cc1ccc(NC(=O)C[N@@H+](C)C2C3CC4CC(C3)CC2C4)cc1C ZINC000032810003 563752509 /nfs/dbraw/zinc/75/25/09/563752509.db2.gz JWMWEBJJPDDSTG-UHFFFAOYSA-N 1 0 326.484 3.998 50 0 EHAARO CCC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccccc2C(C)C)CC1 ZINC000016579948 563815301 /nfs/dbraw/zinc/81/53/01/563815301.db2.gz TWWGWJKRVXNADM-UHFFFAOYSA-N 1 0 346.515 3.958 50 0 EHAARO Cc1onc(-c2ccccc2Cl)c1C(=O)NCC[NH+]1CCCCC1 ZINC000016604567 563817063 /nfs/dbraw/zinc/81/70/63/563817063.db2.gz DYGVIQSSTDZTJR-UHFFFAOYSA-N 1 0 347.846 3.519 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000016604663 563817104 /nfs/dbraw/zinc/81/71/04/563817104.db2.gz APOAMEWRGATIOH-UHFFFAOYSA-N 1 0 329.271 3.527 50 0 EHAARO COc1cc(OC)c(/C=C/c2ccc3ccccc3[n+]2C)c(OC)c1 ZINC000016998866 563828541 /nfs/dbraw/zinc/82/85/41/563828541.db2.gz HNYCJVFMCMJALP-VAWYXSNFSA-N 1 0 336.411 3.861 50 0 EHAARO Cc1cccc(N2CC[NH+](C[C@@H](O)c3c[nH]c4ccccc43)CC2)c1C ZINC000020441971 563858990 /nfs/dbraw/zinc/85/89/90/563858990.db2.gz CXYDHYZSZVSNFY-JOCHJYFZSA-N 1 0 349.478 3.640 50 0 EHAARO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000027388281 563895636 /nfs/dbraw/zinc/89/56/36/563895636.db2.gz WJUJOHULPUQTTK-UHFFFAOYSA-N 1 0 337.250 3.871 50 0 EHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000027582122 563897124 /nfs/dbraw/zinc/89/71/24/563897124.db2.gz LXEFWPZLWFEYFH-OAHLLOKOSA-N 1 0 334.872 3.968 50 0 EHAARO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000030003429 563909167 /nfs/dbraw/zinc/90/91/67/563909167.db2.gz OBKJSSJDNVHEMW-OAQYLSRUSA-N 1 0 347.462 3.769 50 0 EHAARO Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cc2)n1 ZINC000030771206 563910697 /nfs/dbraw/zinc/91/06/97/563910697.db2.gz OIEJAFARHIHHJW-UHFFFAOYSA-N 1 0 348.450 3.803 50 0 EHAARO Cc1c2cc(F)ccc2sc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069875590 563935363 /nfs/dbraw/zinc/93/53/63/563935363.db2.gz XSANXWDPKNMGBH-LBPRGKRZSA-N 1 0 332.444 3.563 50 0 EHAARO CC[N@H+](Cc1ccc(C(=O)NCc2nc(C)cs2)cc1)C(C)C ZINC000058379828 563944309 /nfs/dbraw/zinc/94/43/09/563944309.db2.gz UCTSSJVQWASWOH-UHFFFAOYSA-N 1 0 331.485 3.612 50 0 EHAARO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000058426360 563946016 /nfs/dbraw/zinc/94/60/16/563946016.db2.gz DXJVTFWAXMWHHQ-HXUWFJFHSA-N 1 0 347.462 3.620 50 0 EHAARO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000096477649 563955053 /nfs/dbraw/zinc/95/50/53/563955053.db2.gz XIVPPVLLTLKFDS-CYBMUJFWSA-N 1 0 339.549 3.510 50 0 EHAARO COc1cc(Br)ccc1C[NH2+]Cc1scnc1C ZINC000096500754 563955934 /nfs/dbraw/zinc/95/59/34/563955934.db2.gz BOPYXRLPLAKKOV-UHFFFAOYSA-N 1 0 327.247 3.512 50 0 EHAARO CC(=O)N1CCC([NH+]2CCC(Sc3ccccc3C)CC2)CC1 ZINC000065370826 563958339 /nfs/dbraw/zinc/95/83/39/563958339.db2.gz GJFSWKHWWJLGMD-UHFFFAOYSA-N 1 0 332.513 3.562 50 0 EHAARO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)C)c2C)C[C@H]1O ZINC000065428060 563960645 /nfs/dbraw/zinc/96/06/45/563960645.db2.gz ITRDOPDIDDBYDP-SJLPKXTDSA-N 1 0 347.528 3.801 50 0 EHAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1CSc1ccncc1 ZINC000065470709 563961395 /nfs/dbraw/zinc/96/13/95/563961395.db2.gz ZBOWAYVMJFNFIN-UHFFFAOYSA-N 1 0 325.441 3.781 50 0 EHAARO Cc1cc(C)nc(Cn2ccnc2-c2cccc([C@H](C)[NH+](C)C)c2)n1 ZINC000071735944 563964909 /nfs/dbraw/zinc/96/49/09/563964909.db2.gz XXZKCLHPGYXHNP-INIZCTEOSA-N 1 0 335.455 3.628 50 0 EHAARO O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000071776556 563965738 /nfs/dbraw/zinc/96/57/38/563965738.db2.gz KNBGUYQNCNCJHF-UHFFFAOYSA-N 1 0 347.462 3.927 50 0 EHAARO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000097017791 563966752 /nfs/dbraw/zinc/96/67/52/563966752.db2.gz JCHHEZNDTZITKY-QGZVFWFLSA-N 1 0 340.471 3.625 50 0 EHAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccc(F)cc1Cl ZINC000077340564 563969024 /nfs/dbraw/zinc/96/90/24/563969024.db2.gz UGXPROKMHZFEDC-MRXNPFEDSA-N 1 0 346.833 3.608 50 0 EHAARO Cc1cccnc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077439954 563969725 /nfs/dbraw/zinc/96/97/25/563969725.db2.gz KKSZUGYKLQGPNW-NRFANRHFSA-N 1 0 343.515 3.641 50 0 EHAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000077564670 563970404 /nfs/dbraw/zinc/97/04/04/563970404.db2.gz RKKISUCEICCNHE-QGZVFWFLSA-N 1 0 335.455 3.742 50 0 EHAARO O=C1[C@@H]([NH2+]Cc2ccc3ncccc3c2)CCCN1c1ccccc1F ZINC000097022398 563971065 /nfs/dbraw/zinc/97/10/65/563971065.db2.gz VHGJHSYAGIMDHB-IBGZPJMESA-N 1 0 349.409 3.659 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)Nc2c[nH+]ccc2-n2cc(C)cn2)c1 ZINC000097038784 563971373 /nfs/dbraw/zinc/97/13/73/563971373.db2.gz VFHJNLCAHGPMJQ-AWEZNQCLSA-N 1 0 335.411 3.707 50 0 EHAARO Brc1ccnc(CN2CCC(OC3CCCC3)CC2)c1 ZINC000585135882 563971880 /nfs/dbraw/zinc/97/18/80/563971880.db2.gz HIDFBOTXPYHJRR-UHFFFAOYSA-N 1 0 339.277 3.768 50 0 EHAARO Cc1nccn1CCCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000082083194 563971973 /nfs/dbraw/zinc/97/19/73/563971973.db2.gz JRANAWLOKNQQDU-GOSISDBHSA-N 1 0 329.419 3.865 50 0 EHAARO c1ccc([C@@H](CNc2nnc(C3CC3)o2)[NH+]2CCCCCC2)cc1 ZINC000091289075 563975197 /nfs/dbraw/zinc/97/51/97/563975197.db2.gz JEWBQSHWJSXPSG-QGZVFWFLSA-N 1 0 326.444 3.976 50 0 EHAARO COCC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC3CCCC3)cc2)C1 ZINC000091327186 563975311 /nfs/dbraw/zinc/97/53/11/563975311.db2.gz MPGPSMMVNVDAAS-NRFANRHFSA-N 1 0 347.499 3.619 50 0 EHAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)cc(C)[nH+]1 ZINC000095509229 563977214 /nfs/dbraw/zinc/97/72/14/563977214.db2.gz XCSYIMUGQXIACN-GOSISDBHSA-N 1 0 347.466 3.722 50 0 EHAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000178545677 563986103 /nfs/dbraw/zinc/98/61/03/563986103.db2.gz BVCHWRXVCGJGNY-ZDUSSCGKSA-N 1 0 348.368 3.793 50 0 EHAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1OC(F)F ZINC000248132006 563995270 /nfs/dbraw/zinc/99/52/70/563995270.db2.gz OOMBUQBYMLYFEH-FFFUXKDYSA-N 1 0 329.362 3.891 50 0 EHAARO Cc1ccc(C(=O)N2CCC3(C2)CCCCCC3)cc1OCC[NH3+] ZINC000426498448 563995801 /nfs/dbraw/zinc/99/58/01/563995801.db2.gz HHNNUUNRTAKSPG-UHFFFAOYSA-N 1 0 330.472 3.519 50 0 EHAARO Cc1ccc([C@@](C)(O)C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)o1 ZINC000225578121 563995996 /nfs/dbraw/zinc/99/59/96/563995996.db2.gz AAZMWAAIUSVAKA-PMACEKPBSA-N 1 0 340.398 3.709 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1c(F)cccc1F ZINC000107504911 564026957 /nfs/dbraw/zinc/02/69/57/564026957.db2.gz FEJKGUCCZVMYDE-PBFPGSCMSA-N 1 0 336.426 3.653 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1c(F)cccc1F ZINC000107504903 564026959 /nfs/dbraw/zinc/02/69/59/564026959.db2.gz FEJKGUCCZVMYDE-XNJGSVPQSA-N 1 0 336.426 3.653 50 0 EHAARO C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000044891289 564027496 /nfs/dbraw/zinc/02/74/96/564027496.db2.gz REKDWOWKZCGERG-KBPBESRZSA-N 1 0 333.457 3.538 50 0 EHAARO C[C@@H]1C[C@H](Nc2cccc(C[S@@](C)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000108366538 564028219 /nfs/dbraw/zinc/02/82/19/564028219.db2.gz FEOVLFAYSJYCTK-NKNQFRNOSA-N 1 0 342.508 3.640 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCc2ccccc21 ZINC000048236506 564030162 /nfs/dbraw/zinc/03/01/62/564030162.db2.gz BKONWJFEFYRXOJ-QGZVFWFLSA-N 1 0 326.465 3.864 50 0 EHAARO c1ccc(CC[C@H]2CCC[N@@H+]2Cc2nc(-c3ccccn3)no2)cc1 ZINC000048275610 564030590 /nfs/dbraw/zinc/03/05/90/564030590.db2.gz UKASLMFSAKREQB-QGZVFWFLSA-N 1 0 334.423 3.729 50 0 EHAARO CCCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC(C)(C)C2)n1 ZINC000048284573 564030688 /nfs/dbraw/zinc/03/06/88/564030688.db2.gz FQUNOBFTSCCUQT-UHFFFAOYSA-N 1 0 325.456 3.621 50 0 EHAARO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccnc1 ZINC000048680927 564032046 /nfs/dbraw/zinc/03/20/46/564032046.db2.gz POWUKVDOEVDPCK-UHFFFAOYSA-N 1 0 326.831 3.827 50 0 EHAARO CC[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccccc1OCC(=O)NC ZINC000048749859 564032202 /nfs/dbraw/zinc/03/22/02/564032202.db2.gz BEMDHMKSVRGPQS-KRWDZBQOSA-N 1 0 346.858 3.706 50 0 EHAARO COc1ccccc1C[NH2+]Cc1ccc(NC(=O)NC(C)C)cc1 ZINC000048784775 564032277 /nfs/dbraw/zinc/03/22/77/564032277.db2.gz YOPOHYHFHHBRTA-UHFFFAOYSA-N 1 0 327.428 3.515 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000007850398 564034523 /nfs/dbraw/zinc/03/45/23/564034523.db2.gz CXTNKQFOIPGADO-UHFFFAOYSA-N 1 0 344.405 3.881 50 0 EHAARO COc1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)ccc1SC ZINC000225648571 564048951 /nfs/dbraw/zinc/04/89/51/564048951.db2.gz QOHJUEZUGYCHBI-FQEVSTJZSA-N 1 0 343.492 3.731 50 0 EHAARO c1csc(-c2n[nH]cc2C[NH2+]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000030907880 564049953 /nfs/dbraw/zinc/04/99/53/564049953.db2.gz ADLNYWBHNXAEMH-UHFFFAOYSA-N 1 0 349.463 3.673 50 0 EHAARO Cc1sc([C@@H](C)NC(=O)[C@@H]2CC[NH2+]C2)nc1-c1ccc(Cl)cc1 ZINC000237358715 564051474 /nfs/dbraw/zinc/05/14/74/564051474.db2.gz TUKPBMQADGCXOI-ZWNOBZJWSA-N 1 0 349.887 3.559 50 0 EHAARO COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000237176997 564057400 /nfs/dbraw/zinc/05/74/00/564057400.db2.gz FFUPGKSETIWZDH-LLVKDONJSA-N 1 0 334.357 3.512 50 0 EHAARO CCn1nc(C)c(C[NH2+]CC2(c3ccccc3C)CCOCC2)c1C ZINC000083836703 564063553 /nfs/dbraw/zinc/06/35/53/564063553.db2.gz DCIDCSKIGYCCAD-UHFFFAOYSA-N 1 0 341.499 3.666 50 0 EHAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000083877552 564064080 /nfs/dbraw/zinc/06/40/80/564064080.db2.gz ULHVKLFCEVLOFM-UXHICEINSA-N 1 0 338.451 3.506 50 0 EHAARO C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000184628908 564064613 /nfs/dbraw/zinc/06/46/13/564064613.db2.gz QCNAYWGTQWLYAL-KBPBESRZSA-N 1 0 328.485 3.753 50 0 EHAARO Cc1ccc(C[N@@H+]2CCCN(c3ncnc4sccc43)CC2)cc1 ZINC000012759145 564067299 /nfs/dbraw/zinc/06/72/99/564067299.db2.gz ZTHJXFZLPRPZKU-UHFFFAOYSA-N 1 0 338.480 3.712 50 0 EHAARO CC(C)CCSCC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000084510788 564068314 /nfs/dbraw/zinc/06/83/14/564068314.db2.gz ZSYLACCRRXEKQB-KRWDZBQOSA-N 1 0 332.513 3.777 50 0 EHAARO CC(C)c1nc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cs1 ZINC000084630931 564069213 /nfs/dbraw/zinc/06/92/13/564069213.db2.gz DBTHJGSQPQXDIT-UHFFFAOYSA-N 1 0 349.544 3.995 50 0 EHAARO Cc1n[nH]c(C)c1NC(=O)CN(C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000121127056 564073146 /nfs/dbraw/zinc/07/31/46/564073146.db2.gz PQFLZCMOUXSUCC-ZDUSSCGKSA-N 1 0 349.504 3.546 50 0 EHAARO OCC1CC[NH+](Cc2cccc(NCc3cccc(F)c3)c2)CC1 ZINC000086258410 564075502 /nfs/dbraw/zinc/07/55/02/564075502.db2.gz ABACSNSVQRMMQY-UHFFFAOYSA-N 1 0 328.431 3.642 50 0 EHAARO C[C@H](CCNC(=O)CC1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000237455652 564077070 /nfs/dbraw/zinc/07/70/70/564077070.db2.gz YVXDITRPHOEUCW-CYBMUJFWSA-N 1 0 342.405 3.705 50 0 EHAARO Cc1ccc(NC(=O)CN(CC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000075094600 564079972 /nfs/dbraw/zinc/07/99/72/564079972.db2.gz YZQUEZOMDZQXNV-UHFFFAOYSA-N 1 0 337.467 3.536 50 0 EHAARO Cn1cc([C@H](CNC(=O)Nc2cccs2)[NH+](C)C)c2ccccc21 ZINC000075149206 564080815 /nfs/dbraw/zinc/08/08/15/564080815.db2.gz HDQWWDOQECHXID-INIZCTEOSA-N 1 0 342.468 3.664 50 0 EHAARO Brc1ccc([C@@H](Cc2ccccn2)[NH2+][C@H]2CCOC2)cc1 ZINC000346162947 564081651 /nfs/dbraw/zinc/08/16/51/564081651.db2.gz CNTBJFBSUGDZPU-DLBZAZTESA-N 1 0 347.256 3.506 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccoc1)c1csc2ccccc21 ZINC000575620220 564083874 /nfs/dbraw/zinc/08/38/74/564083874.db2.gz JCVXUEFCZXDFLZ-IWAYRVGRSA-N 1 0 340.448 3.927 50 0 EHAARO CCn1ccc2cc(CCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)ccc21 ZINC000075550665 564089337 /nfs/dbraw/zinc/08/93/37/564089337.db2.gz QVWONPIWPFWABY-KRWDZBQOSA-N 1 0 341.499 3.584 50 0 EHAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000003087481 564090665 /nfs/dbraw/zinc/09/06/65/564090665.db2.gz GZIISXIDAZYOLI-SFHVURJKSA-N 1 0 337.419 3.520 50 0 biogenic,in-man EHAARO CC[N@@H+]1CCC[C@@H]1CNc1nc(-c2cccnc2)nc2ccccc21 ZINC000006558775 564092094 /nfs/dbraw/zinc/09/20/94/564092094.db2.gz QUKJBQZWIOODPK-MRXNPFEDSA-N 1 0 333.439 3.588 50 0 EHAARO COc1cccc(OC)c1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000426360007 564093450 /nfs/dbraw/zinc/09/34/50/564093450.db2.gz VFDNUTUOUHWEBI-UHFFFAOYSA-N 1 0 327.424 3.845 50 0 EHAARO CC(C)n1ccnc1CNC(=O)[C@]1(c2ccccc2)CC12CCCC2 ZINC000426369926 564093510 /nfs/dbraw/zinc/09/35/10/564093510.db2.gz JOCSWQLLMIOSDF-OAQYLSRUSA-N 1 0 337.467 3.982 50 0 EHAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-c3ccsc3)cc1)C2 ZINC000426730661 564094460 /nfs/dbraw/zinc/09/44/60/564094460.db2.gz ZWJPGFKVCWMMLT-ZWKOTPCHSA-N 1 0 326.465 3.724 50 0 EHAARO CC[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)C1CCCC1 ZINC000065441009 564105991 /nfs/dbraw/zinc/10/59/91/564105991.db2.gz FBQFBEQREGOHGG-UHFFFAOYSA-N 1 0 340.221 3.857 50 0 EHAARO CCOCCC[N@@H+]1Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2C1 ZINC000065490529 564106406 /nfs/dbraw/zinc/10/64/06/564106406.db2.gz NEMPZZSUXCBSPG-MRXNPFEDSA-N 1 0 328.456 3.724 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccc(F)cc1F ZINC000170619054 564110173 /nfs/dbraw/zinc/11/01/73/564110173.db2.gz GKZCAWQWTMWJDR-SNVBAGLBSA-N 1 0 334.391 3.729 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)/C=C/c2ccsc2)CC1 ZINC000071184873 564110757 /nfs/dbraw/zinc/11/07/57/564110757.db2.gz DNLFVHKUWNJZBM-VOTSOKGWSA-N 1 0 341.480 3.906 50 0 EHAARO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000042797148 564111120 /nfs/dbraw/zinc/11/11/20/564111120.db2.gz TYSWXOADCNMZPZ-LBPRGKRZSA-N 1 0 349.402 3.711 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c(F)cccc1Cl ZINC000013331028 564111628 /nfs/dbraw/zinc/11/16/28/564111628.db2.gz AFTGAXGVHAQATM-UHFFFAOYSA-N 1 0 346.833 3.874 50 0 EHAARO Cc1cc2ncc([C@@H](C)[NH2+]CCc3c[nH]c4ccccc34)c(C)n2n1 ZINC000089610789 564112715 /nfs/dbraw/zinc/11/27/15/564112715.db2.gz LLKGATMCFQUULG-CQSZACIVSA-N 1 0 333.439 3.721 50 0 EHAARO Cc1nccn1CCC[N@@H+](C)Cc1ccc(Br)cc1F ZINC000089735650 564113418 /nfs/dbraw/zinc/11/34/18/564113418.db2.gz DVATVCSGWBFSRR-UHFFFAOYSA-N 1 0 340.240 3.615 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1c(F)cccc1F ZINC000089948673 564115746 /nfs/dbraw/zinc/11/57/46/564115746.db2.gz FEJKGUCCZVMYDE-AHIWAGSCSA-N 1 0 336.426 3.653 50 0 EHAARO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000090003983 564116120 /nfs/dbraw/zinc/11/61/20/564116120.db2.gz OUIDXYPYQKJPPH-CQSZACIVSA-N 1 0 342.468 3.591 50 0 EHAARO C[C@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237499339 564117731 /nfs/dbraw/zinc/11/77/31/564117731.db2.gz ARUYYMKTPLOQMX-XHDPSFHLSA-N 1 0 337.250 3.913 50 0 EHAARO CC(C)[C@@H](NC(=O)C[N@H+](C[C@H]1CCCCO1)C(C)C)c1ccccc1 ZINC000252477188 564119022 /nfs/dbraw/zinc/11/90/22/564119022.db2.gz JUNVXFXTRZOKNV-TZIWHRDSSA-N 1 0 346.515 3.779 50 0 EHAARO CC[NH+](CC)CCc1ccc(NC(=O)CCc2cccnc2)cc1 ZINC000252496885 564119688 /nfs/dbraw/zinc/11/96/88/564119688.db2.gz PTSQHGRAEPRGGE-UHFFFAOYSA-N 1 0 325.456 3.537 50 0 EHAARO C[C@@H]1CC[N@H+](Cc2csc(-c3cnn(C)c3)n2)[C@@H]2CCCC[C@H]12 ZINC000252517278 564120273 /nfs/dbraw/zinc/12/02/73/564120273.db2.gz DOCLKQMVODZZPI-KBRIMQKVSA-N 1 0 330.501 3.944 50 0 EHAARO COC(=O)Nc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252551355 564120762 /nfs/dbraw/zinc/12/07/62/564120762.db2.gz UCUWVDSFWXPSKZ-CYBMUJFWSA-N 1 0 330.432 3.802 50 0 EHAARO C[NH+](C)CCCNC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000002336810 564132396 /nfs/dbraw/zinc/13/23/96/564132396.db2.gz MWKFZBONKBAVCM-GOSISDBHSA-N 1 0 328.481 3.588 50 0 EHAARO C[N@H+](CCN)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501610 564132840 /nfs/dbraw/zinc/13/28/40/564132840.db2.gz NDAWUPLIPPNPGL-ZIINTYDKSA-N 1 0 348.575 3.649 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C2CC2)CC1 ZINC000078721350 564136948 /nfs/dbraw/zinc/13/69/48/564136948.db2.gz UULQWJDZGYTVPF-IAGOWNOFSA-N 1 0 348.437 3.544 50 0 EHAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000078896873 564137370 /nfs/dbraw/zinc/13/73/70/564137370.db2.gz IRIHEKVLUIMRJY-PRXAMGSTSA-N 1 0 338.854 3.777 50 0 EHAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000078897986 564137382 /nfs/dbraw/zinc/13/73/82/564137382.db2.gz LEKAMMQRPQIESZ-SUMWQHHRSA-N 1 0 328.481 3.638 50 0 EHAARO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(N3CCCC3)nc1)CCC2 ZINC000093364979 564137465 /nfs/dbraw/zinc/13/74/65/564137465.db2.gz IWODQSMDEXDNJX-KRWDZBQOSA-N 1 0 342.512 3.956 50 0 EHAARO C[C@@H]([NH2+]Cc1ccnc(OC2CCC(C)CC2)c1)c1cnn(C)c1 ZINC000095422411 564140103 /nfs/dbraw/zinc/14/01/03/564140103.db2.gz ZIZLXELUXWOYOQ-SWKXRBFHSA-N 1 0 328.460 3.623 50 0 EHAARO CC[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000095458778 564140712 /nfs/dbraw/zinc/14/07/12/564140712.db2.gz MEHDWLJEVIPAEJ-IRXDYDNUSA-N 1 0 344.503 3.542 50 0 EHAARO Cc1nc(NC[C@@H](c2ccccc2)[NH+](C)C)ccc1Br ZINC000095460584 564140774 /nfs/dbraw/zinc/14/07/74/564140774.db2.gz WMOMDSNLTBVYLE-HNNXBMFYSA-N 1 0 334.261 3.867 50 0 EHAARO CC1(C)C[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)C(C)(C)O1 ZINC000095946101 564142231 /nfs/dbraw/zinc/14/22/31/564142231.db2.gz IAJURRVFGLVPHD-ZDUSSCGKSA-N 1 0 345.270 3.868 50 0 EHAARO Cc1ccccc1[C@H]([NH2+]C1CCN(C(N)=O)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000095967953 564143110 /nfs/dbraw/zinc/14/31/10/564143110.db2.gz MITVSPHZALDAAN-XAUMDUMWSA-N 1 0 343.515 3.995 50 0 EHAARO CCCC[C@@H]([NH2+]CC(=O)NCCOC)c1ccc(Cl)cc1Cl ZINC000095974980 564143531 /nfs/dbraw/zinc/14/35/31/564143531.db2.gz DAYPGJUSZYNWHO-OAHLLOKOSA-N 1 0 347.286 3.577 50 0 EHAARO Cc1ccc(/C=C\C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)o1 ZINC000096257390 564146179 /nfs/dbraw/zinc/14/61/79/564146179.db2.gz QJNDFBYJNWBTKI-KTKRTIGZSA-N 1 0 339.439 3.746 50 0 EHAARO CCc1nc2c(Cl)cc(Cl)cc2c(N2CC[NH+](CC)CC2)n1 ZINC000096289553 564146416 /nfs/dbraw/zinc/14/64/16/564146416.db2.gz AAPUKJFMVPWQLN-UHFFFAOYSA-N 1 0 339.270 3.641 50 0 EHAARO Cc1cc(C[NH2+][C@H]2CCSc3ccccc32)ccc1S(C)(=O)=O ZINC000096479340 564148573 /nfs/dbraw/zinc/14/85/73/564148573.db2.gz HRTNCKWGYSTUMS-INIZCTEOSA-N 1 0 347.505 3.725 50 0 EHAARO O=c1[nH]c2ccccc2nc1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000097201067 564149563 /nfs/dbraw/zinc/14/95/63/564149563.db2.gz BRJXIGQXAXIJOG-FQEVSTJZSA-N 1 0 331.419 3.575 50 0 EHAARO Cc1cc2oc(=O)cc(C[N@H+](C)CCOc3ccccc3)c2cc1C ZINC000057449826 564154346 /nfs/dbraw/zinc/15/43/46/564154346.db2.gz LQVLXRDNWDFUKD-UHFFFAOYSA-N 1 0 337.419 3.921 50 0 EHAARO Oc1ccc(N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)cc1 ZINC000058438822 564159151 /nfs/dbraw/zinc/15/91/51/564159151.db2.gz PVDCJJWBJIZWAO-UHFFFAOYSA-N 1 0 348.899 3.960 50 0 EHAARO O=C(Cc1cccc(F)c1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000031621488 564159609 /nfs/dbraw/zinc/15/96/09/564159609.db2.gz ZBSCMWIDLDAWAZ-UHFFFAOYSA-N 1 0 326.415 3.993 50 0 EHAARO CC[NH+]1CCN(c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000004284317 564161488 /nfs/dbraw/zinc/16/14/88/564161488.db2.gz AKEPGIROJYUHPU-UHFFFAOYSA-N 1 0 336.414 3.578 50 0 EHAARO C[C@H]([NH2+]Cc1ccccc1OCc1ccncc1)[C@H](C)n1cccn1 ZINC000069417269 564169288 /nfs/dbraw/zinc/16/92/88/564169288.db2.gz YIEHJUINJUJFIW-IRXDYDNUSA-N 1 0 336.439 3.596 50 0 EHAARO C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000069520426 564170141 /nfs/dbraw/zinc/17/01/41/564170141.db2.gz HFBFKKGHVPMYOT-INIZCTEOSA-N 1 0 340.471 3.605 50 0 EHAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000070005067 564173224 /nfs/dbraw/zinc/17/32/24/564173224.db2.gz PQULVTUUGPQOAT-KRWDZBQOSA-N 1 0 340.402 3.650 50 0 EHAARO Cc1ccccc1C[NH+]1CCN(Cc2ncc(C(C)(C)C)o2)CC1 ZINC000041646391 564174261 /nfs/dbraw/zinc/17/42/61/564174261.db2.gz PRMBPWCANFKWQU-UHFFFAOYSA-N 1 0 327.472 3.598 50 0 EHAARO Cc1nccn1-c1ccc(NC(=O)[C@H](C)OC2CCCC2)cc1F ZINC000070802830 564174407 /nfs/dbraw/zinc/17/44/07/564174407.db2.gz HIXLZPFCJHPZHN-LBPRGKRZSA-N 1 0 331.391 3.606 50 0 EHAARO Cc1cc(C)cc(C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000071836990 564175800 /nfs/dbraw/zinc/17/58/00/564175800.db2.gz JPGCYAPNLJTENJ-OAHLLOKOSA-N 1 0 332.469 3.526 50 0 EHAARO COc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c1F ZINC000192673985 564177701 /nfs/dbraw/zinc/17/77/01/564177701.db2.gz UAABBHCKNAZQAH-AWEZNQCLSA-N 1 0 342.414 3.812 50 0 EHAARO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccc(C)cc2)o1 ZINC000284710197 1018192393 /nfs/dbraw/zinc/19/23/93/1018192393.db2.gz JBFRQUTVJYPJIB-KRWDZBQOSA-N 1 0 341.455 3.531 50 0 EHAARO COc1ccc(CC[C@H](C)[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022862302 1024842299 /nfs/dbraw/zinc/84/22/99/1024842299.db2.gz UGMNVYWHPWRPNI-IBGZPJMESA-N 1 0 338.495 3.834 50 0 EHAARO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-c2ccccc2)s1 ZINC000172233706 1034866768 /nfs/dbraw/zinc/86/67/68/1034866768.db2.gz VLQYDSOZMLKGRY-OAHLLOKOSA-N 1 0 328.481 3.829 50 0 EHAARO O=C(c1ccc2c(c1)C[N@@H+](CC1CCCCC1)CCO2)N1CCCC1 ZINC000675018394 1039860673 /nfs/dbraw/zinc/86/06/73/1039860673.db2.gz RRSLGWUUQNBXHW-UHFFFAOYSA-N 1 0 342.483 3.697 50 0 EHAARO Cc1nc(CC[C@@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)no1 ZINC000675024741 1039941604 /nfs/dbraw/zinc/94/16/04/1039941604.db2.gz PJYFBILIHLJWJZ-QGZVFWFLSA-N 1 0 329.444 3.620 50 0 EHAARO CCN(C(=O)Nc1cc(C)on1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107151085 1041826600 /nfs/dbraw/zinc/82/66/00/1041826600.db2.gz SEIJBWYOPXOABA-WBVHZDCISA-N 1 0 342.443 3.672 50 0 EHAARO FC(F)Oc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186450251 1128643654 /nfs/dbraw/zinc/64/36/54/1128643654.db2.gz FQXCYGJANJOTMH-LJQANCHMSA-N 1 0 331.362 3.919 50 0 EHAARO O=C(/C=C/c1ccco1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000033028448 1122341809 /nfs/dbraw/zinc/34/18/09/1122341809.db2.gz KURUYIHIVRALAF-BBVFFXRHSA-N 1 0 344.842 3.900 50 0 EHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2sccc2C1 ZINC000012216298 1129423347 /nfs/dbraw/zinc/42/33/47/1129423347.db2.gz SIMOQCGUSOGHHO-UHFFFAOYSA-N 1 0 340.492 3.933 50 0 EHAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]12CC[N@@H+](C1CCCC1)C2 ZINC000012750449 1129458206 /nfs/dbraw/zinc/45/82/06/1129458206.db2.gz BKGWYJLCZKKDNU-HXUWFJFHSA-N 1 0 330.447 3.583 50 0 EHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1)NC1CC1 ZINC000012457653 1129945891 /nfs/dbraw/zinc/94/58/91/1129945891.db2.gz FHDFORHRDPJFHC-INIZCTEOSA-N 1 0 337.467 3.506 50 0 EHAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCCc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000821508502 1130938059 /nfs/dbraw/zinc/93/80/59/1130938059.db2.gz XRIKZCFRNWXAQL-ZDUSSCGKSA-N 1 0 345.878 3.641 50 0 EHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000823778622 1131081090 /nfs/dbraw/zinc/08/10/90/1131081090.db2.gz HJLYFFDSCJCXJX-NRFANRHFSA-N 1 0 336.479 3.809 50 0 EHAARO Cc1cnc(C[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1CC1CC1 ZINC000575545387 1131568599 /nfs/dbraw/zinc/56/85/99/1131568599.db2.gz LKVKOKHHFWVEME-GOSISDBHSA-N 1 0 327.447 3.805 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000581808015 1132370726 /nfs/dbraw/zinc/37/07/26/1132370726.db2.gz VBLLXSZACDJKML-CQSZACIVSA-N 1 0 329.469 3.683 50 0 EHAARO Cc1cccc(OCCc2noc(C3C[NH+](Cc4ccccc4)C3)n2)c1 ZINC000581809202 1132371333 /nfs/dbraw/zinc/37/13/33/1132371333.db2.gz IRJOJRDNDGJQCL-UHFFFAOYSA-N 1 0 349.434 3.599 50 0 EHAARO COCc1cc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)ccc1F ZINC000192442995 1137455756 /nfs/dbraw/zinc/45/57/56/1137455756.db2.gz LCIWVQHTTBYDOC-KRWDZBQOSA-N 1 0 329.415 3.628 50 0 EHAARO OC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[C@H]1c1ccccc1 ZINC000952845465 1137482411 /nfs/dbraw/zinc/48/24/11/1137482411.db2.gz YCLXQIGKDGWBLV-AEFFLSMTSA-N 1 0 336.410 3.976 50 0 EHAARO CC(C)Oc1ccc(C[N@H+](C)[C@@H](c2ccccn2)C2CC2)cc1CO ZINC000952860324 1137482588 /nfs/dbraw/zinc/48/25/88/1137482588.db2.gz MHCKDWQYMJCRNA-OAQYLSRUSA-N 1 0 340.467 3.944 50 0 EHAARO Cc1cc(C)nc(C[N@@H+](C)C2CCN(c3cccc(F)c3)CC2)c1 ZINC000952965266 1137483899 /nfs/dbraw/zinc/48/38/99/1137483899.db2.gz DDEULWVXKHNDIO-UHFFFAOYSA-N 1 0 327.447 3.938 50 0 EHAARO C[N@@H+](Cc1[nH]c2ccccc2c1Cl)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000952967472 1137485096 /nfs/dbraw/zinc/48/50/96/1137485096.db2.gz KRAFHMPLPJIKGR-CYBMUJFWSA-N 1 0 347.890 3.900 50 0 EHAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1ccccc1)N1CCCCCC1 ZINC000952989306 1137485900 /nfs/dbraw/zinc/48/59/00/1137485900.db2.gz UPYJTIPEFOVYRF-FQEVSTJZSA-N 1 0 326.488 3.733 50 0 EHAARO COc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004729438 210262888 /nfs/dbraw/zinc/26/28/88/210262888.db2.gz GSANOENIEMRXNW-RTWAWAEBSA-N 1 0 325.452 3.998 50 0 EHAARO C[C@@H](c1ccc(C(=O)NCCCOC2CCCC2)o1)[NH+]1CCCCC1 ZINC000097679933 219047031 /nfs/dbraw/zinc/04/70/31/219047031.db2.gz LMSHYMVPHOPZQY-INIZCTEOSA-N 1 0 348.487 3.906 50 0 EHAARO O=C(NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC000097694968 219048530 /nfs/dbraw/zinc/04/85/30/219048530.db2.gz PMUXWENOKYXGMX-OAHLLOKOSA-N 1 0 332.831 3.575 50 0 EHAARO COc1cccc(-c2ccc(NC(=O)N3CCCC[C@@H]3C[NH3+])cc2)c1 ZINC000097745080 219053983 /nfs/dbraw/zinc/05/39/83/219053983.db2.gz XXQRATPWPXPWML-GOSISDBHSA-N 1 0 339.439 3.707 50 0 EHAARO CCn1nc(C)c(C[N@H+](CC)Cc2ccc(OC)c(COC)c2)c1C ZINC000055227054 214292108 /nfs/dbraw/zinc/29/21/08/214292108.db2.gz NRYDZOVSQMZBSK-UHFFFAOYSA-N 1 0 345.487 3.697 50 0 EHAARO CC(C)C/C=C(/C[NH+]1CCC(n2cc([C@H](C)O)nn2)CC1)C(C)C ZINC000055358397 214311890 /nfs/dbraw/zinc/31/18/90/214311890.db2.gz HVHLPBDZCIBEPG-IJMVCFSESA-N 1 0 334.508 3.597 50 0 EHAARO COCC[N@H+](Cc1cccn1-c1nccs1)Cc1ccc(C)cc1 ZINC000055575545 214331760 /nfs/dbraw/zinc/33/17/60/214331760.db2.gz TXDILCDLLJOQAB-UHFFFAOYSA-N 1 0 341.480 3.891 50 0 EHAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000100011789 219088026 /nfs/dbraw/zinc/08/80/26/219088026.db2.gz IUTYUDPWXQZWTH-PMOLBWCYSA-N 1 0 335.447 3.987 50 0 EHAARO Ic1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000004480178 210198016 /nfs/dbraw/zinc/19/80/16/210198016.db2.gz LQDNECYDNQNQOA-UHFFFAOYSA-N 1 0 345.224 3.546 50 0 EHAARO CC(C)Cc1nc(CC2CC[NH+](C(C)C)CC2)n(-c2ccccn2)n1 ZINC000065456726 214915251 /nfs/dbraw/zinc/91/52/51/214915251.db2.gz WWSGPRMLCLNZHE-UHFFFAOYSA-N 1 0 341.503 3.524 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(Cl)c2)CC1 ZINC000043182776 213567340 /nfs/dbraw/zinc/56/73/40/213567340.db2.gz KXKUPVFOCRDBPL-CQSZACIVSA-N 1 0 337.895 3.821 50 0 EHAARO COc1cc([C@H](C)[NH2+]Cc2cc3ccccc3o2)ccc1OCCO ZINC000067449430 215148404 /nfs/dbraw/zinc/14/84/04/215148404.db2.gz UOHZKJSSQFEVNR-AWEZNQCLSA-N 1 0 341.407 3.663 50 0 EHAARO Cc1cccc(C)c1C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC000067514633 215157022 /nfs/dbraw/zinc/15/70/22/215157022.db2.gz ZYXNZANMYVHLRT-NRFANRHFSA-N 1 0 328.500 3.774 50 0 EHAARO Cc1ccc2cc(C[N@H+](Cc3ccc(O)cc3)C3CC3)c(=O)[nH]c2c1 ZINC000067490730 215154365 /nfs/dbraw/zinc/15/43/65/215154365.db2.gz DGNFCXYNIWZZKD-UHFFFAOYSA-N 1 0 334.419 3.707 50 0 EHAARO CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C1=CCC[N@H+](C)C1 ZINC000067675979 215181251 /nfs/dbraw/zinc/18/12/51/215181251.db2.gz ZGMKCXQZMNUIBR-OAHLLOKOSA-N 1 0 327.255 3.764 50 0 EHAARO COc1ccc(C(C)C)cc1C[NH+]1CCC2(CC1)CCNC(=O)CC2 ZINC000067946180 215254558 /nfs/dbraw/zinc/25/45/58/215254558.db2.gz HDCQVCAPJBZLCA-UHFFFAOYSA-N 1 0 344.499 3.701 50 0 EHAARO C[NH+](C)CCCNC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000002769402 209908435 /nfs/dbraw/zinc/90/84/35/209908435.db2.gz SUEMGAQOVBGAJA-UHFFFAOYSA-N 1 0 341.524 3.515 50 0 EHAARO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000181108774 234089599 /nfs/dbraw/zinc/08/95/99/234089599.db2.gz QKXGSPNMCAYZFO-AWEZNQCLSA-N 1 0 347.422 3.811 50 0 EHAARO CCOc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000038673447 213220267 /nfs/dbraw/zinc/22/02/67/213220267.db2.gz PITUQEDOPCDZKM-INIZCTEOSA-N 1 0 333.457 3.571 50 0 EHAARO CC(C)OC[C@@H](O)C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036102605 213066518 /nfs/dbraw/zinc/06/65/18/213066518.db2.gz AKUYONCGNFAUIP-FQEVSTJZSA-N 1 0 349.421 3.753 50 0 EHAARO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)COc1ccccc1C ZINC000036095249 213063071 /nfs/dbraw/zinc/06/30/71/213063071.db2.gz BKIWWRLZMWIRBQ-LJQANCHMSA-N 1 0 343.467 3.656 50 0 EHAARO Cc1cccc(-n2nnnc2C2([NH2+]CCc3ccccc3)CCCC2)c1 ZINC000035622131 213042942 /nfs/dbraw/zinc/04/29/42/213042942.db2.gz JNQYPPGYIIBYMJ-UHFFFAOYSA-N 1 0 347.466 3.572 50 0 EHAARO CC(C)C(=O)N1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000035258728 213016506 /nfs/dbraw/zinc/01/65/06/213016506.db2.gz MJVUKXSVRULGAJ-UHFFFAOYSA-N 1 0 329.271 3.730 50 0 EHAARO Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000072137290 216024423 /nfs/dbraw/zinc/02/44/23/216024423.db2.gz MTKNRAJWYPTMQH-LJQANCHMSA-N 1 0 349.478 3.757 50 0 EHAARO Fc1cccc(CN2CC[NH+](CCSc3ccccc3)CC2)c1 ZINC000072145520 216032293 /nfs/dbraw/zinc/03/22/93/216032293.db2.gz WXUJMCRHTCRIDC-UHFFFAOYSA-N 1 0 330.472 3.736 50 0 EHAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cncn1C1CCCCC1 ZINC000072151060 216039865 /nfs/dbraw/zinc/03/98/65/216039865.db2.gz OTKAOINAZXBSSL-KRWDZBQOSA-N 1 0 333.476 3.696 50 0 EHAARO O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCC[C@@H]1c1ccccn1 ZINC000072162249 216049916 /nfs/dbraw/zinc/04/99/16/216049916.db2.gz MGECFUYEDQIOBD-OAQYLSRUSA-N 1 0 349.478 3.601 50 0 EHAARO C[NH+](C)CCNc1cc(-c2ccc3ncccc3c2)c2cc[nH]c2n1 ZINC000072169328 216060367 /nfs/dbraw/zinc/06/03/67/216060367.db2.gz FNHYFRLPHWXSME-UHFFFAOYSA-N 1 0 331.423 3.752 50 0 EHAARO Cc1ccc(-c2cc(CN3CCCC[C@H]3CC[NH+](C)C)on2)cc1 ZINC000072169743 216060713 /nfs/dbraw/zinc/06/07/13/216060713.db2.gz YOWYUTSSZJNWBQ-SFHVURJKSA-N 1 0 327.472 3.956 50 0 EHAARO C=Cc1cccc(C[NH+]2CCC3(CCN(C(=O)C4CC4)CC3)CC2)c1 ZINC000072171166 216062598 /nfs/dbraw/zinc/06/25/98/216062598.db2.gz SFOODNPVSGFHSZ-UHFFFAOYSA-N 1 0 338.495 3.944 50 0 EHAARO CCCCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000072282569 216112160 /nfs/dbraw/zinc/11/21/60/216112160.db2.gz UDPZLTOKYVICSS-KRWDZBQOSA-N 1 0 331.504 3.908 50 0 EHAARO CCCOc1ccccc1NC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000072309817 216145679 /nfs/dbraw/zinc/14/56/79/216145679.db2.gz JZQDSGTVWVNQRQ-MRXNPFEDSA-N 1 0 333.476 3.671 50 0 EHAARO CCOc1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cc1Cl ZINC000072314449 216148553 /nfs/dbraw/zinc/14/85/53/216148553.db2.gz DXPDCYTXNSNPFP-UHFFFAOYSA-N 1 0 341.883 3.790 50 0 EHAARO Cc1ccc(C)c(-n2cc(C[N@H+](C)CCCO)c(-c3ccccc3)n2)c1 ZINC000072409817 216200821 /nfs/dbraw/zinc/20/08/21/216200821.db2.gz RCOWGXWNODMNFB-UHFFFAOYSA-N 1 0 349.478 3.970 50 0 EHAARO CNc1nc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)cs1 ZINC000072411656 216203426 /nfs/dbraw/zinc/20/34/26/216203426.db2.gz VGXCAIXGMAUZNF-MRXNPFEDSA-N 1 0 331.485 3.878 50 0 EHAARO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)nc2)c1 ZINC000072411508 216204330 /nfs/dbraw/zinc/20/43/30/216204330.db2.gz LVGICTSAWYVHET-IBGZPJMESA-N 1 0 325.456 3.883 50 0 EHAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)o2)n[nH]1 ZINC000072429362 216219970 /nfs/dbraw/zinc/21/99/70/216219970.db2.gz FIAOLLANKKFYOF-AWEZNQCLSA-N 1 0 347.422 3.926 50 0 EHAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)C[C@@H]2C=CCC2)CC1 ZINC000072453419 216241130 /nfs/dbraw/zinc/24/11/30/216241130.db2.gz UZUJIHWQOXGZJF-LJQANCHMSA-N 1 0 326.484 3.508 50 0 EHAARO OCC[C@H]1CN(Cc2ccc3ccccc3c2)CC[N@@H+]1C1CCCC1 ZINC000023359205 212370862 /nfs/dbraw/zinc/37/08/62/212370862.db2.gz IEAFLVFADOKGFP-QFIPXVFZSA-N 1 0 338.495 3.651 50 0 EHAARO CCc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023128050 212352272 /nfs/dbraw/zinc/35/22/72/212352272.db2.gz XKCIVVMZYMPZJZ-UHFFFAOYSA-N 1 0 342.508 3.953 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc(Cl)cc1 ZINC000023016555 212343179 /nfs/dbraw/zinc/34/31/79/212343179.db2.gz MCOBWFVXTHCNKA-UHFFFAOYSA-N 1 0 332.831 3.575 50 0 EHAARO CC(C)[C@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)[NH+](C)C ZINC000022754970 212321490 /nfs/dbraw/zinc/32/14/90/212321490.db2.gz QOSACGSARZTLFD-IBGZPJMESA-N 1 0 344.430 3.934 50 0 EHAARO Clc1cccc2ccc(C[NH+]3CCC(Cn4cccn4)CC3)nc12 ZINC000215126381 241109443 /nfs/dbraw/zinc/10/94/43/241109443.db2.gz GQIFMJCDTPRAAE-UHFFFAOYSA-N 1 0 340.858 3.997 50 0 EHAARO OCC[C@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)CCO1 ZINC000215189834 241112439 /nfs/dbraw/zinc/11/24/39/241112439.db2.gz HKXUGZSBSURHFI-HNNXBMFYSA-N 1 0 327.449 3.638 50 0 EHAARO CCNc1ncc(C[N@@H+]2CCC[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000216077633 241164614 /nfs/dbraw/zinc/16/46/14/241164614.db2.gz KOWUZGDYMUVLHB-INIZCTEOSA-N 1 0 330.863 3.941 50 0 EHAARO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1cccs1 ZINC000229654005 242186738 /nfs/dbraw/zinc/18/67/38/242186738.db2.gz XXHWVLCNDKJLFQ-QFBILLFUSA-N 1 0 345.508 3.926 50 0 EHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000229853838 242209532 /nfs/dbraw/zinc/20/95/32/242209532.db2.gz FTLZEAPBZLREGZ-RDJZCZTQSA-N 1 0 342.439 3.874 50 0 EHAARO C[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1c1ccccc1 ZINC000237725771 242771207 /nfs/dbraw/zinc/77/12/07/242771207.db2.gz RTRKFVLPPZQZNX-MWDBYQCVSA-N 1 0 326.484 3.559 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)cc2c1C ZINC000253535003 244007863 /nfs/dbraw/zinc/00/78/63/244007863.db2.gz CKESOXJUHXOFCW-XLIONFOSSA-N 1 0 339.483 3.779 50 0 EHAARO CC(C)Cc1ccc(CN2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000020271634 212115933 /nfs/dbraw/zinc/11/59/33/212115933.db2.gz NNELRUWPWKKZIM-OAQYLSRUSA-N 1 0 330.516 3.618 50 0 EHAARO C/C=C/c1ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000020168382 212108478 /nfs/dbraw/zinc/10/84/78/212108478.db2.gz MHZQKMXGLYPPHD-QQQVMXRDSA-N 1 0 333.472 3.997 50 0 EHAARO Cc1ccc(-n2cc(C[N@@H+]3CC[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000020109556 212101904 /nfs/dbraw/zinc/10/19/04/212101904.db2.gz BDEDLEVNOSTMSF-OAQYLSRUSA-N 1 0 347.462 3.723 50 0 EHAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000019732458 212058215 /nfs/dbraw/zinc/05/82/15/212058215.db2.gz XQEGOSKIIOZULV-KGLIPLIRSA-N 1 0 349.261 3.774 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000019720560 212057850 /nfs/dbraw/zinc/05/78/50/212057850.db2.gz FHCKUEUEKUMMHS-UHFFFAOYSA-N 1 0 335.831 3.698 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2-n2ccnc2C)o1 ZINC000078552914 217073061 /nfs/dbraw/zinc/07/30/61/217073061.db2.gz ZKRVHJWSQAISRY-UHFFFAOYSA-N 1 0 347.422 3.762 50 0 EHAARO Cc1cc(N2CCC[C@H](c3nnc4ccccn43)C2)c2ccccc2[nH+]1 ZINC000089583024 217814940 /nfs/dbraw/zinc/81/49/40/217814940.db2.gz VHNWHRJOBOULIU-INIZCTEOSA-N 1 0 343.434 3.970 50 0 EHAARO c1nc(-c2cccc(C[NH2+]Cc3ccccc3OCC3CC3)c2)n[nH]1 ZINC000089813994 217849494 /nfs/dbraw/zinc/84/94/94/217849494.db2.gz JJWGQPITLLPEPC-UHFFFAOYSA-N 1 0 334.423 3.550 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000012348696 211354290 /nfs/dbraw/zinc/35/42/90/211354290.db2.gz QBIIRFWLMVGPQN-CQSZACIVSA-N 1 0 342.386 3.800 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948889 217894018 /nfs/dbraw/zinc/89/40/18/217894018.db2.gz WISOIQISVLGWSO-DYVFJYSZSA-N 1 0 338.854 3.606 50 0 EHAARO CC[NH+]1CCC(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000012317099 211343668 /nfs/dbraw/zinc/34/36/68/211343668.db2.gz WRGTWRHNXLHNHA-UHFFFAOYSA-N 1 0 348.450 3.900 50 0 EHAARO OCc1ccc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)o1 ZINC000011873125 211260749 /nfs/dbraw/zinc/26/07/49/211260749.db2.gz LXCMFSSPPVNOKP-HNNXBMFYSA-N 1 0 335.394 3.895 50 0 EHAARO COC[C@H](C)C1CC[NH+](Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1 ZINC000091645489 218038880 /nfs/dbraw/zinc/03/88/80/218038880.db2.gz YFECFYIBVXTAQJ-ZDUSSCGKSA-N 1 0 332.419 3.574 50 0 EHAARO Cc1c(C)n(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccccc12 ZINC000009970616 211137895 /nfs/dbraw/zinc/13/78/95/211137895.db2.gz GFPGZSQBWCDRJO-HXUWFJFHSA-N 1 0 334.463 3.677 50 0 EHAARO Oc1cccc(C[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1 ZINC000093581793 218232866 /nfs/dbraw/zinc/23/28/66/218232866.db2.gz PQYPUXUFGITFHC-UHFFFAOYSA-N 1 0 325.334 3.514 50 0 EHAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009418710 211080510 /nfs/dbraw/zinc/08/05/10/211080510.db2.gz BFTBBZBJCMYDLO-KRWDZBQOSA-N 1 0 342.439 3.635 50 0 EHAARO Cc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1Cl ZINC000095370747 218303627 /nfs/dbraw/zinc/30/36/27/218303627.db2.gz IHAAGIJRMZKDIF-IAGOWNOFSA-N 1 0 346.902 3.985 50 0 EHAARO CC(C)=CCC[N@@H+]1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095371283 218304475 /nfs/dbraw/zinc/30/44/75/218304475.db2.gz RLXHDAHVNKWOOR-MRXNPFEDSA-N 1 0 330.501 3.924 50 0 EHAARO Brc1ccc2c(c1)CC[C@H]([NH2+]CCc1nccs1)C2 ZINC000095381614 218313049 /nfs/dbraw/zinc/31/30/49/218313049.db2.gz NNIOARSUZJLSQU-AWEZNQCLSA-N 1 0 337.286 3.595 50 0 EHAARO Cc1cc(C)c2c(ncnc2NCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000095388457 218320981 /nfs/dbraw/zinc/32/09/81/218320981.db2.gz PITNJLSCRBWUBL-DLBZAZTESA-N 1 0 339.487 3.708 50 0 EHAARO O=C1NC2(C[C@H]1c1ccccc1)CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000095390166 218321481 /nfs/dbraw/zinc/32/14/81/218321481.db2.gz LWGVGEMVRQOLEP-CLNPQZTCSA-N 1 0 346.474 3.838 50 0 EHAARO CC[C@H]([NH2+]Cc1ccc(NS(=O)(=O)CC)cc1)c1ccccc1 ZINC000095395947 218327083 /nfs/dbraw/zinc/32/70/83/218327083.db2.gz BKJWJKOOFWCDQU-SFHVURJKSA-N 1 0 332.469 3.689 50 0 EHAARO COc1ccccc1[C@@H](CNC(=O)Nc1ccccc1)[NH+]1CCCC1 ZINC000008762639 211000956 /nfs/dbraw/zinc/00/09/56/211000956.db2.gz JVZZOXLJEPYEIZ-GOSISDBHSA-N 1 0 339.439 3.654 50 0 EHAARO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cc(F)c(F)c(F)c1 ZINC000095420497 218361398 /nfs/dbraw/zinc/36/13/98/218361398.db2.gz IIUQBYDTHWOEOJ-NXEZZACHSA-N 1 0 340.311 3.639 50 0 EHAARO Cc1[nH]c2ccccc2c1CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000095421683 218364065 /nfs/dbraw/zinc/36/40/65/218364065.db2.gz NUJRYYVJVCKQNW-UHFFFAOYSA-N 1 0 334.467 3.672 50 0 EHAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)CC2 ZINC000095443057 218386816 /nfs/dbraw/zinc/38/68/16/218386816.db2.gz BALSJXWZVZCCSF-KXBFYZLASA-N 1 0 340.515 3.667 50 0 EHAARO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000095451290 218395376 /nfs/dbraw/zinc/39/53/76/218395376.db2.gz VJSZYYONYOKEIW-UHFFFAOYSA-N 1 0 344.842 3.549 50 0 EHAARO CCc1cc(C[NH2+][C@@H]2c3cc(Br)ccc3C[C@@H]2C)[nH]n1 ZINC000095451010 218395775 /nfs/dbraw/zinc/39/57/75/218395775.db2.gz TUHSNEKMUSXNAN-QFYYESIMSA-N 1 0 334.261 3.758 50 0 EHAARO C[C@@H]([NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1)c1cnn(C)c1 ZINC000095969191 218474950 /nfs/dbraw/zinc/47/49/50/218474950.db2.gz NOQWNLAMRXCXLZ-CQSZACIVSA-N 1 0 344.459 3.660 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)cc(F)c1 ZINC000007448182 210802918 /nfs/dbraw/zinc/80/29/18/210802918.db2.gz KVGFPHRGQFWLKK-UHFFFAOYSA-N 1 0 344.405 3.881 50 0 EHAARO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096478646 218855620 /nfs/dbraw/zinc/85/56/20/218855620.db2.gz KMNKTTPRVDPSPK-VXGBXAGGSA-N 1 0 347.521 3.800 50 0 EHAARO CC(=O)Nc1ccc(C)c(NC2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000097080854 218941450 /nfs/dbraw/zinc/94/14/50/218941450.db2.gz XFSJZHGNPXLKNX-UHFFFAOYSA-N 1 0 343.393 3.782 50 0 EHAARO CCC[NH+]1CCC(NC(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000005063046 210380053 /nfs/dbraw/zinc/38/00/53/210380053.db2.gz KMZQLAGIXLGQLB-UHFFFAOYSA-N 1 0 345.434 3.866 50 0 EHAARO CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccccc1 ZINC000005019687 210364331 /nfs/dbraw/zinc/36/43/31/210364331.db2.gz RJFTYWSTYDUSLZ-IBGZPJMESA-N 1 0 341.451 3.933 50 0 EHAARO CC(C)c1ccc(OCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000004954857 210338538 /nfs/dbraw/zinc/33/85/38/210338538.db2.gz WUNINNBLHFTOJP-UHFFFAOYSA-N 1 0 340.467 3.680 50 0 EHAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1 ZINC000299739295 258011513 /nfs/dbraw/zinc/01/15/13/258011513.db2.gz MXJGRJGAJZTXTQ-LBPRGKRZSA-N 1 0 348.805 3.692 50 0 EHAARO CCOC(C)(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299776443 258086553 /nfs/dbraw/zinc/08/65/53/258086553.db2.gz BQKPBWYDSPBCTA-SFHVURJKSA-N 1 0 332.488 3.535 50 0 EHAARO Cc1ccccc1CSCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000299780262 258089423 /nfs/dbraw/zinc/08/94/23/258089423.db2.gz IXZIWAVVVNVPTC-UHFFFAOYSA-N 1 0 346.540 3.705 50 0 EHAARO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](C)CCC1(O)CCCC1 ZINC000299794046 258099128 /nfs/dbraw/zinc/09/91/28/258099128.db2.gz KTUUWSIVXJXHBN-UHFFFAOYSA-N 1 0 338.879 3.604 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3)s2)N1 ZINC000007127761 258052941 /nfs/dbraw/zinc/05/29/41/258052941.db2.gz BYTHJRZUMARAFA-QGZVFWFLSA-N 1 0 345.431 3.861 50 0 EHAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(-c2cccc(Cl)c2)c1 ZINC000299760053 258077421 /nfs/dbraw/zinc/07/74/21/258077421.db2.gz QCOJXLSTHNVJKK-SFHVURJKSA-N 1 0 328.843 3.960 50 0 EHAARO CC(C)[C@H](C)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 ZINC000055360856 132194744 /nfs/dbraw/zinc/19/47/44/132194744.db2.gz XLGRDSGJCNCQGY-IRXDYDNUSA-N 1 0 343.515 3.805 50 0 EHAARO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c(O)c1 ZINC000240540930 519834643 /nfs/dbraw/zinc/83/46/43/519834643.db2.gz GQITWLMVAXWLTC-NUJGCVRESA-N 1 0 344.499 3.993 50 0 EHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036100548 521685524 /nfs/dbraw/zinc/68/55/24/521685524.db2.gz WZDPOTWTVAQYDQ-NRFANRHFSA-N 1 0 327.468 3.785 50 0 EHAARO O[C@H](C[NH2+]Cc1ccccc1)Cn1c2ccccc2c2c1CCCC2 ZINC000000301549 563275660 /nfs/dbraw/zinc/27/56/60/563275660.db2.gz DRGXYEACPYEKIE-GOSISDBHSA-N 1 0 334.463 3.671 50 0 EHAARO c1c(-c2ccc3c(c2)OCCO3)[n+](-c2ccccc2)c2n1CCCCC2 ZINC000000392184 563304222 /nfs/dbraw/zinc/30/42/22/563304222.db2.gz IBKCLLWQGABGSL-UHFFFAOYSA-N 1 0 347.438 3.929 50 0 EHAARO O[C@]12CCCC[C@H]1[C@H](c1ccc(F)c(Br)c1)[NH2+]CC2 ZINC000000758957 563363000 /nfs/dbraw/zinc/36/30/00/563363000.db2.gz ZJANSNICGZFVPW-CQDKDKBSSA-N 1 0 328.225 3.544 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(C(F)(F)F)c2)N1 ZINC000002392062 563431245 /nfs/dbraw/zinc/43/12/45/563431245.db2.gz GQBUHFWTIOVQOM-CYBMUJFWSA-N 1 0 331.301 3.552 50 0 EHAARO C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002839779 563454618 /nfs/dbraw/zinc/45/46/18/563454618.db2.gz FLXMUTOOIDLZEM-LBPRGKRZSA-N 1 0 338.879 3.533 50 0 EHAARO C[C@H]1CCC[C@H]([NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)C1 ZINC000004712150 563508886 /nfs/dbraw/zinc/50/88/86/563508886.db2.gz SVKBQAXMGBRMLF-UGKGYDQZSA-N 1 0 341.543 3.852 50 0 EHAARO O=C(c1ccccc1)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2)C1 ZINC000032561063 563648989 /nfs/dbraw/zinc/64/89/89/563648989.db2.gz SCUUTEDYFUSFSY-TZIWHRDSSA-N 1 0 334.463 3.860 50 0 EHAARO CN(Cc1ccoc1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000014975697 563769581 /nfs/dbraw/zinc/76/95/81/563769581.db2.gz PTNZZLKXCLVTRS-SFHVURJKSA-N 1 0 330.447 3.805 50 0 EHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000015079212 563776796 /nfs/dbraw/zinc/77/67/96/563776796.db2.gz NVSQWJKQBCSVJD-HNNXBMFYSA-N 1 0 345.874 3.785 50 0 EHAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCCC2=CCCCC2)cc1 ZINC000015300580 563781324 /nfs/dbraw/zinc/78/13/24/563781324.db2.gz FZZUHJFBPYTIMX-HXUWFJFHSA-N 1 0 342.483 3.839 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860282 563797080 /nfs/dbraw/zinc/79/70/80/563797080.db2.gz JAARDNCVWRKJBN-GOSISDBHSA-N 1 0 344.430 3.930 50 0 EHAARO CCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccccc2C(C)C)CC1 ZINC000016604306 563816624 /nfs/dbraw/zinc/81/66/24/563816624.db2.gz CVIDXSVKBVNXKP-INIZCTEOSA-N 1 0 332.488 3.568 50 0 EHAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000016649760 563818952 /nfs/dbraw/zinc/81/89/52/563818952.db2.gz KPCYRKPUGIMCOD-UHFFFAOYSA-N 1 0 342.487 3.934 50 0 EHAARO CC[NH+]1CCC(NC(=O)N(C)Cc2csc3ccccc23)CC1 ZINC000043292652 563861860 /nfs/dbraw/zinc/86/18/60/563861860.db2.gz YYRVXPSKLNXTFQ-UHFFFAOYSA-N 1 0 331.485 3.527 50 0 EHAARO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCO1 ZINC000434009229 563866579 /nfs/dbraw/zinc/86/65/79/563866579.db2.gz WGZSAKBIWLMRRS-XCJLJZCSSA-N 1 0 339.483 3.956 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1sccc1-n1cccc1)c1ccsc1 ZINC000025332008 563883726 /nfs/dbraw/zinc/88/37/26/563883726.db2.gz DHJNYNVRNWMUIQ-OAHLLOKOSA-N 1 0 345.493 3.633 50 0 EHAARO NC(=O)c1ccc(C[N@H+](Cc2cc(F)cc3cccnc32)C2CC2)cc1 ZINC000025948266 563889152 /nfs/dbraw/zinc/88/91/52/563889152.db2.gz OGBGYKAXEGPSHK-UHFFFAOYSA-N 1 0 349.409 3.637 50 0 EHAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2F)c1 ZINC000026907211 563894098 /nfs/dbraw/zinc/89/40/98/563894098.db2.gz UGHNMSXPWFTCHD-RBUKOAKNSA-N 1 0 345.414 3.713 50 0 EHAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000028289280 563902029 /nfs/dbraw/zinc/90/20/29/563902029.db2.gz DJOCRFPYVIQHGY-IBGZPJMESA-N 1 0 340.467 3.817 50 0 EHAARO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cc(F)cc(F)c1 ZINC000029177821 563905261 /nfs/dbraw/zinc/90/52/61/563905261.db2.gz FVBJGWSSEUGGBN-GOSISDBHSA-N 1 0 330.378 3.532 50 0 EHAARO CCOc1ccccc1N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000022591649 563918595 /nfs/dbraw/zinc/91/85/95/563918595.db2.gz PFALMGBZVKYODL-UHFFFAOYSA-N 1 0 335.451 3.889 50 0 EHAARO CC[NH+](CC)CCn1cc(NC(=O)c2oc3ccccc3c2C)cn1 ZINC000058171742 563938866 /nfs/dbraw/zinc/93/88/66/563938866.db2.gz JVVDYNHPSGJJBE-UHFFFAOYSA-N 1 0 340.427 3.532 50 0 EHAARO O=C(NCc1ccco1)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000058304896 563942057 /nfs/dbraw/zinc/94/20/57/563942057.db2.gz CUCSMQKDEVDPSF-UHFFFAOYSA-N 1 0 338.860 3.523 50 0 EHAARO Cc1nc(C(C)(C)C)sc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000058365781 563943818 /nfs/dbraw/zinc/94/38/18/563943818.db2.gz JVPLOCPRZXQWPK-UHFFFAOYSA-N 1 0 337.533 3.695 50 0 EHAARO O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058918533 563947426 /nfs/dbraw/zinc/94/74/26/563947426.db2.gz MBBUDACNMAIOFN-GOSISDBHSA-N 1 0 342.483 3.708 50 0 EHAARO Clc1cccc2ccc(CN3CCN(c4cc[nH+]cc4)CC3)nc12 ZINC000065373271 563958660 /nfs/dbraw/zinc/95/86/60/563958660.db2.gz QWFPIYHAQMNFDH-UHFFFAOYSA-N 1 0 338.842 3.605 50 0 EHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1[C@@H](C)n1cnc2ccccc21 ZINC000065420965 563960545 /nfs/dbraw/zinc/96/05/45/563960545.db2.gz SHWSUAWCEDPPOI-CQSZACIVSA-N 1 0 344.422 3.807 50 0 EHAARO CN(Cc1cc2ccccc2s1)C(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000065509001 563961745 /nfs/dbraw/zinc/96/17/45/563961745.db2.gz VGMSVGKAZBSKOT-HNNXBMFYSA-N 1 0 330.497 3.982 50 0 EHAARO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C[C@H]1O ZINC000065526579 563961835 /nfs/dbraw/zinc/96/18/35/563961835.db2.gz USLPFOFFJSZWLG-IEBWSBKVSA-N 1 0 340.492 3.899 50 0 EHAARO CCc1cnc(C)nc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071639167 563964651 /nfs/dbraw/zinc/96/46/51/563964651.db2.gz XSEOYYFRVVEUPO-GOSISDBHSA-N 1 0 325.456 3.795 50 0 EHAARO Nc1ncccc1C[N@@H+]1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000071756915 563965263 /nfs/dbraw/zinc/96/52/63/563965263.db2.gz HCKYXAVWMZLVIU-KRWDZBQOSA-N 1 0 345.446 3.912 50 0 EHAARO Nc1ncccc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000071756914 563965267 /nfs/dbraw/zinc/96/52/67/563965267.db2.gz HCKYXAVWMZLVIU-QGZVFWFLSA-N 1 0 345.446 3.912 50 0 EHAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3ccsc3)nc2)C1 ZINC000071774576 563965724 /nfs/dbraw/zinc/96/57/24/563965724.db2.gz KTMNGPZNSBSYGT-OAHLLOKOSA-N 1 0 343.496 3.518 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1C ZINC000077420736 563969590 /nfs/dbraw/zinc/96/95/90/563969590.db2.gz PWSVAOORYPDCQK-NRFANRHFSA-N 1 0 326.484 3.670 50 0 EHAARO O=C1CC[C@]2(CCC[N@H+](Cc3cc4ccccc4o3)C2)CN1C1CC1 ZINC000077503744 563970013 /nfs/dbraw/zinc/97/00/13/563970013.db2.gz GSXDVHHZBCEMII-NRFANRHFSA-N 1 0 338.451 3.800 50 0 EHAARO CC(=O)NCC1CC[NH+](Cc2ccc(-c3ccccc3F)cc2)CC1 ZINC000077505505 563970082 /nfs/dbraw/zinc/97/00/82/563970082.db2.gz NBHBKYORIAKHIC-UHFFFAOYSA-N 1 0 340.442 3.841 50 0 EHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1Cl ZINC000077505771 563970135 /nfs/dbraw/zinc/97/01/35/563970135.db2.gz XMNKLAGQMKQFLZ-MRXNPFEDSA-N 1 0 333.863 3.995 50 0 EHAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCc2nccn2C)c(F)c1 ZINC000077540527 563970266 /nfs/dbraw/zinc/97/02/66/563970266.db2.gz MARAINZZCGTDEY-MRXNPFEDSA-N 1 0 331.435 3.555 50 0 EHAARO CC1(C)CCC[C@H]([NH+]2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082121670 563972515 /nfs/dbraw/zinc/97/25/15/563972515.db2.gz DPRKPQUBJGJGNT-HNNXBMFYSA-N 1 0 327.472 3.854 50 0 EHAARO CC1(C)CCC[C@@H]([NH+]2CCC3(CC2)Nc2ccccc2NC3=O)C1 ZINC000082121671 563972521 /nfs/dbraw/zinc/97/25/21/563972521.db2.gz DPRKPQUBJGJGNT-OAHLLOKOSA-N 1 0 327.472 3.854 50 0 EHAARO C[C@@H]1CCC[N@H+](CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000033312162 563973595 /nfs/dbraw/zinc/97/35/95/563973595.db2.gz DCWAEAKOQRAEAJ-OAHLLOKOSA-N 1 0 333.451 3.802 50 0 EHAARO O=C(NCC[NH+]1CCCC1)Nc1ccc(SC(F)(F)F)cc1 ZINC000095512959 563977262 /nfs/dbraw/zinc/97/72/62/563977262.db2.gz WRTQJKYSWIIFGT-UHFFFAOYSA-N 1 0 333.379 3.516 50 0 EHAARO COc1cccc(-c2cccc(NC(=O)N(C)[C@@H]3CC[N@H+](C)C3)c2)c1 ZINC000095516510 563977319 /nfs/dbraw/zinc/97/73/19/563977319.db2.gz SGIXMXHXJBMHPH-GOSISDBHSA-N 1 0 339.439 3.530 50 0 EHAARO c1cc(C[NH+]2CCCCCC2)cc(-c2nc([C@@H]3CCOC3)no2)c1 ZINC000096149779 563979636 /nfs/dbraw/zinc/97/96/36/563979636.db2.gz FQYHWSPRIHHILZ-QGZVFWFLSA-N 1 0 327.428 3.617 50 0 EHAARO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c2cc1C ZINC000120032511 563984061 /nfs/dbraw/zinc/98/40/61/563984061.db2.gz CPQHCQLMUCIOGS-BEVDRBHNSA-N 1 0 341.451 3.655 50 0 EHAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 ZINC000178581535 563987774 /nfs/dbraw/zinc/98/77/74/563987774.db2.gz NFLVAJDJTIQRPE-GFCCVEGCSA-N 1 0 332.806 3.567 50 0 EHAARO COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C(C)C)cc1 ZINC000000240874 563989126 /nfs/dbraw/zinc/98/91/26/563989126.db2.gz HMDBPRXFEPJRFG-UHFFFAOYSA-N 1 0 348.450 3.963 50 0 EHAARO COc1ccccc1NC(=S)N(C(C)C)C1CC[NH+](C(C)C)CC1 ZINC000000261500 563989665 /nfs/dbraw/zinc/98/96/65/563989665.db2.gz DBVWOSJBOMZJDK-UHFFFAOYSA-N 1 0 349.544 3.975 50 0 EHAARO COc1cccc2cc(C[NH2+]Cc3ccc(OC(C)C)nc3)oc21 ZINC000061046576 563992436 /nfs/dbraw/zinc/99/24/36/563992436.db2.gz STBVBLAONGEGBS-UHFFFAOYSA-N 1 0 326.396 3.913 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(C)cc3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426435432 563995722 /nfs/dbraw/zinc/99/57/22/563995722.db2.gz QGEABOLLZWBZME-QHAWAJNXSA-N 1 0 329.484 3.934 50 0 EHAARO Cc1ccccc1C1CC([NH2+][C@@H](C)Cn2ncc3ccccc3c2=O)C1 ZINC000128012269 563996075 /nfs/dbraw/zinc/99/60/75/563996075.db2.gz MFEJITYTWMDIME-IVMQYODDSA-N 1 0 347.462 3.629 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(C4CCCC4)s3)[C@H]1C[C@@H](O)CC2 ZINC000426555706 563996288 /nfs/dbraw/zinc/99/62/88/563996288.db2.gz YJNVYLGCDBBLPE-ZYSHUDEJSA-N 1 0 335.513 3.910 50 0 EHAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000248163025 563996464 /nfs/dbraw/zinc/99/64/64/563996464.db2.gz YOACYIMJWBLZJL-QWHCGFSZSA-N 1 0 347.509 3.570 50 0 EHAARO CCN(C)c1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cn1 ZINC000252487490 563997803 /nfs/dbraw/zinc/99/78/03/563997803.db2.gz HWWLZFYYEWQQEU-QGZVFWFLSA-N 1 0 329.419 3.680 50 0 EHAARO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000252500756 563997869 /nfs/dbraw/zinc/99/78/69/563997869.db2.gz TVALGJWBVOLPHO-NZSAHSFTSA-N 1 0 346.540 3.755 50 0 EHAARO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc3ccccc3s2)CC1 ZINC000188244608 564001938 /nfs/dbraw/zinc/00/19/38/564001938.db2.gz XBRRQDBSBNEWHC-CQSZACIVSA-N 1 0 346.496 3.579 50 0 EHAARO O[C@@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc2ccccc2s1 ZINC000005274983 564002303 /nfs/dbraw/zinc/00/23/03/564002303.db2.gz DXHUCYNUIKPWCU-YMTOWFKASA-N 1 0 341.358 3.913 50 0 EHAARO Cc1ccc(-c2csc(NC(=O)C[NH2+]C3CCCCC3)n2)cc1 ZINC000005342393 564002837 /nfs/dbraw/zinc/00/28/37/564002837.db2.gz ZFIMFHLETCVZBF-UHFFFAOYSA-N 1 0 329.469 3.979 50 0 EHAARO c1cc2c(cccc2C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)[nH]1 ZINC000179781642 564003126 /nfs/dbraw/zinc/00/31/26/564003126.db2.gz BTNMRJAZICHYHX-INIZCTEOSA-N 1 0 331.423 3.590 50 0 EHAARO C[NH+](C)C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(Br)cc1 ZINC000005573630 564005747 /nfs/dbraw/zinc/00/57/47/564005747.db2.gz CCHWTPPGNSQTRC-DZGCQCFKSA-N 1 0 340.261 3.726 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000005704786 564019582 /nfs/dbraw/zinc/01/95/82/564019582.db2.gz WLSMWKLFYBXUMP-LJQANCHMSA-N 1 0 334.419 4.000 50 0 EHAARO Cc1cccc(C[NH+]2CCC(NC(=O)c3cc(C(C)C)on3)CC2)c1 ZINC000120509349 564022396 /nfs/dbraw/zinc/02/23/96/564022396.db2.gz LSXUDXCHKDIVFH-UHFFFAOYSA-N 1 0 341.455 3.501 50 0 EHAARO COc1ccc2[nH]c3c(ncnc3NCC[NH+](C(C)C)C(C)C)c2c1 ZINC000000545490 564022671 /nfs/dbraw/zinc/02/26/71/564022671.db2.gz HAXQGRRCZBGYMO-UHFFFAOYSA-N 1 0 341.459 3.650 50 0 EHAARO CCN(CC)c1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)cc1 ZINC000000588422 564025197 /nfs/dbraw/zinc/02/51/97/564025197.db2.gz ZPMZIATWQQEERS-UHFFFAOYSA-N 1 0 337.427 3.534 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000045150678 564028188 /nfs/dbraw/zinc/02/81/88/564028188.db2.gz MJXMQNAUXNWTTG-LJQANCHMSA-N 1 0 349.494 3.942 50 0 EHAARO Cc1cccc(CSCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000048309418 564030754 /nfs/dbraw/zinc/03/07/54/564030754.db2.gz VLXOUJJBKKPTNQ-UHFFFAOYSA-N 1 0 334.529 3.654 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000048332825 564031083 /nfs/dbraw/zinc/03/10/83/564031083.db2.gz GXVSHDRZSQBQFE-CHWSQXEVSA-N 1 0 326.843 3.577 50 0 EHAARO CC(C)(C)[C@@H]([NH2+]CN1C(=O)CC2(CCCC2)C1=O)c1cccs1 ZINC000048354159 564031307 /nfs/dbraw/zinc/03/13/07/564031307.db2.gz DURVVBFGYNCJKG-HNNXBMFYSA-N 1 0 334.485 3.702 50 0 EHAARO CCSc1ccc([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236947654 564034277 /nfs/dbraw/zinc/03/42/77/564034277.db2.gz VKHSGCHTBALZNY-YTTRVJOFSA-N 1 0 332.513 3.897 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(OCC(N)=O)cc1)c1cccc2ccccc21 ZINC000028308049 564045878 /nfs/dbraw/zinc/04/58/78/564045878.db2.gz QOBKFCFUYPMBNY-HNNXBMFYSA-N 1 0 334.419 3.555 50 0 EHAARO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)C1 ZINC000449234622 564052432 /nfs/dbraw/zinc/05/24/32/564052432.db2.gz QWXOEAVIEZGGKX-NONVJHHQSA-N 1 0 342.462 3.813 50 0 EHAARO O=C(NCc1nccn1CCCc1ccccc1)c1cccs1 ZINC000081942583 564053289 /nfs/dbraw/zinc/05/32/89/564053289.db2.gz UQAXZSOXGGKMKG-UHFFFAOYSA-N 1 0 325.437 3.507 50 0 EHAARO Cc1ncsc1CCN(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000252486466 564053412 /nfs/dbraw/zinc/05/34/12/564053412.db2.gz HLMAKRLZPDLFDT-GOSISDBHSA-N 1 0 329.513 3.590 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccnc(Cl)c1 ZINC000025386304 564054311 /nfs/dbraw/zinc/05/43/11/564054311.db2.gz BNFYNYGQPGNMPC-UHFFFAOYSA-N 1 0 343.858 3.651 50 0 EHAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)s1 ZINC000182845818 564056386 /nfs/dbraw/zinc/05/63/86/564056386.db2.gz AZLPBRGSSQTWQE-LBPRGKRZSA-N 1 0 344.406 3.812 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000003293139 564059112 /nfs/dbraw/zinc/05/91/12/564059112.db2.gz BUZBXGZTHNWLEE-MRXNPFEDSA-N 1 0 336.357 3.738 50 0 EHAARO COc1ccc(CN(C)Cc2nc3sc(C)c(C)c3c(N)n2)cc1 ZINC000012595945 564060273 /nfs/dbraw/zinc/06/02/73/564060273.db2.gz AEBQEYOFOVRDJQ-UHFFFAOYSA-N 1 0 342.468 3.531 50 0 EHAARO Cc1cccnc1[C@@H](NC(=O)CCC[NH+]1CCCCCC1)C1CC1 ZINC000534646437 564061276 /nfs/dbraw/zinc/06/12/76/564061276.db2.gz SIIYIVMDMZGHBQ-FQEVSTJZSA-N 1 0 329.488 3.614 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000084205263 564067365 /nfs/dbraw/zinc/06/73/65/564067365.db2.gz JHWZQPMGEBSWFZ-DOTOQJQBSA-N 1 0 328.481 3.898 50 0 EHAARO COc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000012822010 564074590 /nfs/dbraw/zinc/07/45/90/564074590.db2.gz PCVKOCFBKUZMIG-UHFFFAOYSA-N 1 0 339.439 3.613 50 0 EHAARO COc1ccc(C[C@@H]2[NH2+]CCc3c4cc(F)ccc4[nH]c32)cc1OC ZINC000026665968 564076136 /nfs/dbraw/zinc/07/61/36/564076136.db2.gz KFRJZVISBHFGQE-KRWDZBQOSA-N 1 0 340.398 3.754 50 0 EHAARO OC1(c2ccccc2)CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000075271184 564081360 /nfs/dbraw/zinc/08/13/60/564081360.db2.gz LCTXZBNUTXPLRN-UHFFFAOYSA-N 1 0 331.843 3.702 50 0 EHAARO Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)o1 ZINC000006234259 564083145 /nfs/dbraw/zinc/08/31/45/564083145.db2.gz COKZNJWOQRBEME-HNNXBMFYSA-N 1 0 331.441 3.845 50 0 EHAARO CC(C)(C)[NH2+]CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016473526 564087783 /nfs/dbraw/zinc/08/77/83/564087783.db2.gz JJKXMTYAYHETJU-UHFFFAOYSA-N 1 0 344.842 3.898 50 0 EHAARO C[C@H](NC(=S)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1ccccc1 ZINC000242047981 564088447 /nfs/dbraw/zinc/08/84/47/564088447.db2.gz VRTMGQLBDBUGCZ-VXNCWWDNSA-N 1 0 345.556 3.959 50 0 EHAARO c1n[nH]cc1[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000092810166 564089070 /nfs/dbraw/zinc/08/90/70/564089070.db2.gz WXAGDOXDCKNOOZ-GOSISDBHSA-N 1 0 348.450 3.763 50 0 EHAARO C[NH+](C)CC1CCC(NC(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000089314211 564089641 /nfs/dbraw/zinc/08/96/41/564089641.db2.gz LBHIVQPDPWWRKR-UHFFFAOYSA-N 1 0 343.496 3.660 50 0 EHAARO COCc1nccc([C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)n1 ZINC000089420469 564090510 /nfs/dbraw/zinc/09/05/10/564090510.db2.gz PLRPQKFQDJHHRG-QGZVFWFLSA-N 1 0 348.450 3.551 50 0 EHAARO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000192742890 564093055 /nfs/dbraw/zinc/09/30/55/564093055.db2.gz SNNZCDAPWZYFLB-ABSDTBQOSA-N 1 0 338.451 3.771 50 0 EHAARO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1Cl ZINC000006605409 564093078 /nfs/dbraw/zinc/09/30/78/564093078.db2.gz TZCTZRCNJIEPCK-ZIAGYGMSSA-N 1 0 336.863 3.799 50 0 EHAARO Cc1ccnc(-c2ccc(C(=O)NCCCC[NH+]3CCCC3)cc2)c1 ZINC000426361243 564093487 /nfs/dbraw/zinc/09/34/87/564093487.db2.gz UHFUWSHUSGFOTB-UHFFFAOYSA-N 1 0 337.467 3.663 50 0 EHAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC000426395416 564093579 /nfs/dbraw/zinc/09/35/79/564093579.db2.gz RMGRDEWXRRWVBC-SFHVURJKSA-N 1 0 328.843 3.783 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N3CCC[C@]4(CC[N@@H+](C)C4)C3)cc2)cn1 ZINC000426439075 564093742 /nfs/dbraw/zinc/09/37/42/564093742.db2.gz WNOFGGWAFKLQNR-JOCHJYFZSA-N 1 0 349.478 3.615 50 0 EHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(F)cc3Cl)[C@H]2C1 ZINC000426486145 564093877 /nfs/dbraw/zinc/09/38/77/564093877.db2.gz ZKWTZDJWVUAUPC-BHYGNILZSA-N 1 0 327.827 3.638 50 0 EHAARO Cc1ccncc1-c1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000426531084 564094032 /nfs/dbraw/zinc/09/40/32/564094032.db2.gz YHINQAAXBVPTTE-UHFFFAOYSA-N 1 0 349.478 3.757 50 0 EHAARO O=C(NCc1cccc(Cl)c1)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817947 564096452 /nfs/dbraw/zinc/09/64/52/564096452.db2.gz DNSIMPIFSQESRW-UHFFFAOYSA-N 1 0 340.854 3.789 50 0 EHAARO Fc1ccc2c(c1)[C@H]([NH2+]CC1CCC3(CC1)OCCO3)CCS2 ZINC000170091541 564105455 /nfs/dbraw/zinc/10/54/55/564105455.db2.gz TTWMMBVXFNJYCB-MRXNPFEDSA-N 1 0 337.460 3.886 50 0 EHAARO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000065530960 564106952 /nfs/dbraw/zinc/10/69/52/564106952.db2.gz UNMGMKQKXKMJGM-KRWDZBQOSA-N 1 0 346.515 3.595 50 0 EHAARO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000170610755 564109750 /nfs/dbraw/zinc/10/97/50/564109750.db2.gz JHRHFWSLCYRKPS-LAUBAEHRSA-N 1 0 347.462 3.885 50 0 EHAARO Cc1nccn1-c1ccc(F)cc1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000089735862 564113479 /nfs/dbraw/zinc/11/34/79/564113479.db2.gz ILEKGUCPDLOFSA-AWEZNQCLSA-N 1 0 339.414 3.663 50 0 EHAARO CC(C)[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 ZINC000089801776 564113928 /nfs/dbraw/zinc/11/39/28/564113928.db2.gz DEYKJWWCNFKCDR-IBGZPJMESA-N 1 0 326.440 3.871 50 0 EHAARO CC(C)[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000089801773 564113951 /nfs/dbraw/zinc/11/39/51/564113951.db2.gz SYINVSXAPVDNCZ-LJQANCHMSA-N 1 0 326.440 3.871 50 0 EHAARO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccccc1F ZINC000089814269 564114008 /nfs/dbraw/zinc/11/40/08/564114008.db2.gz BWUSZXPCRQBHFR-INIZCTEOSA-N 1 0 333.451 3.992 50 0 EHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000076057407 564115070 /nfs/dbraw/zinc/11/50/70/564115070.db2.gz ZLWADQUDGPXTNT-CZUORRHYSA-N 1 0 342.405 3.688 50 0 EHAARO COc1ccc2cc([C@H](C)[NH+]3CCC(NC(C)=O)CC3)ccc2c1 ZINC000076089501 564115584 /nfs/dbraw/zinc/11/55/84/564115584.db2.gz IJOYYTLAPGCMDU-AWEZNQCLSA-N 1 0 326.440 3.510 50 0 EHAARO CC(C)c1nc([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cs1 ZINC000090049818 564116192 /nfs/dbraw/zinc/11/61/92/564116192.db2.gz UCZWKZDSMDGOTA-OAHLLOKOSA-N 1 0 344.528 3.977 50 0 EHAARO CC[NH+](CC)CCc1ccc(NC(=O)CCc2ccncc2)cc1 ZINC000252490456 564119494 /nfs/dbraw/zinc/11/94/94/564119494.db2.gz KTXQBZYAPBYIFI-UHFFFAOYSA-N 1 0 325.456 3.537 50 0 EHAARO Cc1ccc([C@H](O)C[NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1 ZINC000252512395 564120168 /nfs/dbraw/zinc/12/01/68/564120168.db2.gz QDNOXYSTUUWINT-STZQEDGTSA-N 1 0 338.495 3.529 50 0 EHAARO O[C@H](CN[C@@H](c1cccs1)c1ncc[nH]1)c1ccc(Cl)s1 ZINC000195049640 564122699 /nfs/dbraw/zinc/12/26/99/564122699.db2.gz SYBFBLHORBUWHD-RNCFNFMXSA-N 1 0 339.873 3.599 50 0 EHAARO C[C@H]([NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000195558325 564123784 /nfs/dbraw/zinc/12/37/84/564123784.db2.gz OYYAXAILFKUAOA-MQJDWESPSA-N 1 0 343.279 3.847 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000007849944 564124232 /nfs/dbraw/zinc/12/42/32/564124232.db2.gz SSTXFRQRNJOLSZ-UHFFFAOYSA-N 1 0 344.405 3.881 50 0 EHAARO C[N@H+](CCN)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501609 564132850 /nfs/dbraw/zinc/13/28/50/564132850.db2.gz NDAWUPLIPPNPGL-SVMKMBGISA-N 1 0 348.575 3.649 50 0 EHAARO CC(C)Cc1nnc([C@@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000095395017 564139438 /nfs/dbraw/zinc/13/94/38/564139438.db2.gz AWCLOIWSNZJAMV-QGZVFWFLSA-N 1 0 348.535 3.917 50 0 EHAARO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)CCO1 ZINC000095465783 564141009 /nfs/dbraw/zinc/14/10/09/564141009.db2.gz XOGHFBFSVMGSHM-OALUTQOASA-N 1 0 342.487 3.556 50 0 EHAARO COc1ccc(CC[NH2+][C@@H](c2ccc(F)cn2)C(C)C)cc1OC ZINC000095466804 564141063 /nfs/dbraw/zinc/14/10/63/564141063.db2.gz PUKFEKJOIAPGAF-LJQANCHMSA-N 1 0 332.419 3.767 50 0 EHAARO COc1cc([C@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)ccc1SC(F)F ZINC000095943526 564142103 /nfs/dbraw/zinc/14/21/03/564142103.db2.gz OTINHPAYJVNOAH-CMPLNLGQSA-N 1 0 347.427 3.812 50 0 EHAARO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)C(C)(C)O1 ZINC000095946102 564142218 /nfs/dbraw/zinc/14/22/18/564142218.db2.gz IAJURRVFGLVPHD-CYBMUJFWSA-N 1 0 345.270 3.868 50 0 EHAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000095957615 564142592 /nfs/dbraw/zinc/14/25/92/564142592.db2.gz DIEYIFJMOCJHHI-INIZCTEOSA-N 1 0 345.487 3.911 50 0 EHAARO O=C(/C=C\c1cccc(F)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000096402072 564147097 /nfs/dbraw/zinc/14/70/97/564147097.db2.gz DFFQEIHNDWMMPB-HJWRWDBZSA-N 1 0 330.447 3.610 50 0 EHAARO Cn1cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c(-c2cccnc2)n1 ZINC000097159751 564149463 /nfs/dbraw/zinc/14/94/63/564149463.db2.gz OGFPHQDIUSIAJT-UHFFFAOYSA-N 1 0 346.356 3.791 50 0 EHAARO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)CC12CC3CC(CC(C3)C1)C2 ZINC000057281404 564153505 /nfs/dbraw/zinc/15/35/05/564153505.db2.gz VYXGUQZJBRZDOZ-UHFFFAOYSA-N 1 0 337.467 3.571 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000030630221 564157258 /nfs/dbraw/zinc/15/72/58/564157258.db2.gz OCIFDPNNMNPEDJ-HNNXBMFYSA-N 1 0 334.423 3.682 50 0 EHAARO Cc1cccc(CCNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000058162880 564157882 /nfs/dbraw/zinc/15/78/82/564157882.db2.gz POQUPALEGMXKRX-RTBURBONSA-N 1 0 345.531 3.595 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC)cc1)c1ccsc1 ZINC000031987800 564160352 /nfs/dbraw/zinc/16/03/52/564160352.db2.gz JIYZQHGUVZUUEU-QGZVFWFLSA-N 1 0 332.469 3.570 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccsc1 ZINC000031984421 564160365 /nfs/dbraw/zinc/16/03/65/564160365.db2.gz FVZFZZUXXUVCIQ-HNNXBMFYSA-N 1 0 349.500 3.981 50 0 EHAARO Brc1cccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000008328839 564164515 /nfs/dbraw/zinc/16/45/15/564164515.db2.gz UABVKWVXZLZYFB-STQMWFEESA-N 1 0 325.275 3.953 50 0 EHAARO Cc1cnc(-c2cccc(NC(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)c2)o1 ZINC000066974219 564164895 /nfs/dbraw/zinc/16/48/95/564164895.db2.gz JWMKGPGQDSGQBZ-HNNXBMFYSA-N 1 0 342.443 3.502 50 0 EHAARO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000245224640 564168712 /nfs/dbraw/zinc/16/87/12/564168712.db2.gz AGEQNJHVJLUIKM-BBRMVZONSA-N 1 0 346.521 3.920 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1OCc1ccccn1)[C@H](C)n1cccn1 ZINC000069414726 564169196 /nfs/dbraw/zinc/16/91/96/564169196.db2.gz GCLIKTKKRYTTNG-SJORKVTESA-N 1 0 336.439 3.596 50 0 EHAARO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1cccnc1)Nc1ccccc1 ZINC000069740685 564171886 /nfs/dbraw/zinc/17/18/86/564171886.db2.gz CDWVGOWZCOZASU-FQEVSTJZSA-N 1 0 349.482 3.708 50 0 EHAARO Clc1cccc2c1CC[C@@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000071837163 564175821 /nfs/dbraw/zinc/17/58/21/564175821.db2.gz YBZXEQSYXYNXKH-KRWDZBQOSA-N 1 0 328.847 3.507 50 0 EHAARO C[NH+](C)C1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000071841365 564175825 /nfs/dbraw/zinc/17/58/25/564175825.db2.gz SJDYIKYUIYVFKG-UHFFFAOYSA-N 1 0 332.444 3.720 50 0 EHAARO Cc1csc2nc(C[N@@H+]3CCC[C@H]3CC3CCCCC3)cc(=O)n12 ZINC000071845382 564175944 /nfs/dbraw/zinc/17/59/44/564175944.db2.gz DSHBLSAICVOTNK-KRWDZBQOSA-N 1 0 345.512 3.999 50 0 EHAARO CC(=O)N1CCC([C@@H]2CC[N@@H+](Cc3ccc(OC(C)C)cc3)C2)CC1 ZINC000169789061 1032651883 /nfs/dbraw/zinc/65/18/83/1032651883.db2.gz GBTQWPNQWBAUJW-HXUWFJFHSA-N 1 0 344.499 3.554 50 0 EHAARO COc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1OCc1ccccc1 ZINC000008675579 1033948935 /nfs/dbraw/zinc/94/89/35/1033948935.db2.gz SCQLCWDRKPAQAI-LJQANCHMSA-N 1 0 341.451 3.621 50 0 EHAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)Nc2cncc(F)c2)cc1 ZINC000096148691 1034395523 /nfs/dbraw/zinc/39/55/23/1034395523.db2.gz RKRRXUBHOKMAFF-SFHVURJKSA-N 1 0 342.418 3.651 50 0 EHAARO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-c2ccccc2)s1 ZINC000172233703 1034865378 /nfs/dbraw/zinc/86/53/78/1034865378.db2.gz VLQYDSOZMLKGRY-HNNXBMFYSA-N 1 0 328.481 3.829 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)NCc2ccc(C)cc2)C1 ZINC000581807654 1035598668 /nfs/dbraw/zinc/59/86/68/1035598668.db2.gz LTZJXKOKZGKYTH-GOSISDBHSA-N 1 0 338.455 3.534 50 0 EHAARO COc1ccc(C(=O)N2CCC[C@H](n3c(C)c[nH+]c3C3CC3)C2)cc1 ZINC000581806700 1035610970 /nfs/dbraw/zinc/61/09/70/1035610970.db2.gz VANNTKJWDOMURL-KRWDZBQOSA-N 1 0 339.439 3.555 50 0 EHAARO Cc1ncsc1C[N@@H+]1CCCCCNC(=O)C[C@@H]1c1ccccc1 ZINC000257176976 1038343627 /nfs/dbraw/zinc/34/36/27/1038343627.db2.gz DHHIXBSNNBWYQH-QGZVFWFLSA-N 1 0 343.496 3.685 50 0 EHAARO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000066870202 1042007862 /nfs/dbraw/zinc/00/78/62/1042007862.db2.gz AGDVTBMFHQMSFL-IBGZPJMESA-N 1 0 329.465 3.647 50 0 EHAARO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000449295183 1128019223 /nfs/dbraw/zinc/01/92/23/1128019223.db2.gz QJEVDNQBVGVYIK-QWFCFKBJSA-N 1 0 348.918 3.899 50 0 EHAARO CCc1ccc([C@H](CNC(=O)/C=C/c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000032216926 1121022970 /nfs/dbraw/zinc/02/29/70/1121022970.db2.gz LWWXJDRMUYNISY-PCLFDXGNSA-N 1 0 340.442 3.820 50 0 EHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccn2)N1C1CCCCCCC1 ZINC000011913643 1129141069 /nfs/dbraw/zinc/14/10/69/1129141069.db2.gz QTXSXBVMNVBVGF-IBGZPJMESA-N 1 0 329.488 3.665 50 0 EHAARO C[C@@H](Nc1ccc(N2CCOCC2)cn1)c1ccc2ccccc2n1 ZINC000182888540 1125388070 /nfs/dbraw/zinc/38/80/70/1125388070.db2.gz PBFHHUGKDOJZRI-OAHLLOKOSA-N 1 0 334.423 3.640 50 0 EHAARO Cc1occc1C(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000011933795 1129192999 /nfs/dbraw/zinc/19/29/99/1129192999.db2.gz AIYJUHVJFHFDMH-UHFFFAOYSA-N 1 0 340.467 3.615 50 0 EHAARO Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)[NH2+]Cc1ccncc1 ZINC000012320500 1129520724 /nfs/dbraw/zinc/52/07/24/1129520724.db2.gz AVSUSEMZEYEFBP-OAHLLOKOSA-N 1 0 339.487 3.800 50 0 EHAARO C[NH+]1CCC(NC(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC000173381476 1130222945 /nfs/dbraw/zinc/22/29/45/1130222945.db2.gz MGERZHASEBHXRN-NRFANRHFSA-N 1 0 349.478 3.590 50 0 EHAARO COc1cccc2c1OCC(C[N@H+](C)[C@@H](C)Cc1ncccc1C)=C2 ZINC000824801370 1131220306 /nfs/dbraw/zinc/22/03/06/1131220306.db2.gz PRGNMWXZHNNAFF-INIZCTEOSA-N 1 0 338.451 3.737 50 0 EHAARO Cc1cnc([C@H]2CC[N@H+](Cc3ccncc3)C2)n1Cc1ccccc1 ZINC000581816553 1132372203 /nfs/dbraw/zinc/37/22/03/1132372203.db2.gz ZFJPFRIEGGPMKD-FQEVSTJZSA-N 1 0 332.451 3.624 50 0 EHAARO Cc1ccc(Nc2ccccc2C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000585089258 1136989640 /nfs/dbraw/zinc/98/96/40/1136989640.db2.gz PHPXXOPTBGHGAN-QFIPXVFZSA-N 1 0 349.478 3.954 50 0 EHAARO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000585117704 1137010552 /nfs/dbraw/zinc/01/05/52/1137010552.db2.gz TUYRVEDVHBUJRO-UYHISHBKSA-N 1 0 334.822 3.925 50 0 EHAARO Cc1ccc(C[N@@H+](C)Cc2cccc(OCCCn3ccnc3)c2)o1 ZINC000952970599 1137484180 /nfs/dbraw/zinc/48/41/80/1137484180.db2.gz DBSDTXJYLBKFKF-UHFFFAOYSA-N 1 0 339.439 3.886 50 0 EHAARO C[C@@H]1CCCN(c2ccc(Cl)cc2NC(=O)C2([NH3+])CCCC2)C1 ZINC000952980221 1137484827 /nfs/dbraw/zinc/48/48/27/1137484827.db2.gz WLHOFWIDDKDPRQ-CYBMUJFWSA-N 1 0 335.879 3.786 50 0 EHAARO OCc1cccc(C[NH2+]Cc2cc(C[NH+]3CCCCC3)cs2)c1 ZINC000952982221 1137485283 /nfs/dbraw/zinc/48/52/83/1137485283.db2.gz PFVZTVCJGGOXPF-UHFFFAOYSA-N 1 0 330.497 3.516 50 0 EHAARO CCC[NH+]1CCC(NC(=O)c2sc3ccc(F)cc3c2C)CC1 ZINC000052985338 214158503 /nfs/dbraw/zinc/15/85/03/214158503.db2.gz NWYWILVIZUQOGN-UHFFFAOYSA-N 1 0 334.460 3.953 50 0 EHAARO C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc21 ZINC000054175614 214221462 /nfs/dbraw/zinc/22/14/62/214221462.db2.gz ZCJJIAHFAWZKKL-UHFFFAOYSA-N 1 0 343.430 3.751 50 0 EHAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1cc2c(cc1OC)OCO2 ZINC000055088111 214270397 /nfs/dbraw/zinc/27/03/97/214270397.db2.gz LOEDDUMVPXFOAZ-CQSZACIVSA-N 1 0 328.412 3.620 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1cccs1)Cc1cccc(-n2cccn2)c1 ZINC000055091032 214271801 /nfs/dbraw/zinc/27/18/01/214271801.db2.gz VWWKYLCIWSMXSP-QGZVFWFLSA-N 1 0 341.480 3.707 50 0 EHAARO CCCCn1ncc(C)c1NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000055182684 214284017 /nfs/dbraw/zinc/28/40/17/214284017.db2.gz CNWOVBJRVIQTCA-UHFFFAOYSA-N 1 0 334.508 3.877 50 0 EHAARO COc1c(F)cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)cc1Cl ZINC000055342080 214309953 /nfs/dbraw/zinc/30/99/53/214309953.db2.gz CUFWBGLOJNMZTG-UHFFFAOYSA-N 1 0 339.842 3.879 50 0 EHAARO O[C@H](COc1ccccc1F)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004662380 210239452 /nfs/dbraw/zinc/23/94/52/210239452.db2.gz CFPXAXQIAUXUOU-IBGZPJMESA-N 1 0 343.442 3.520 50 0 EHAARO CCOc1cccc(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)c1 ZINC000048785020 213965105 /nfs/dbraw/zinc/96/51/05/213965105.db2.gz RBMBAUQAXYLNBB-UHFFFAOYSA-N 1 0 341.455 3.905 50 0 EHAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cccs1 ZINC000065627026 214988093 /nfs/dbraw/zinc/98/80/93/214988093.db2.gz PTDFPFVPGHBONC-UHFFFAOYSA-N 1 0 332.494 3.858 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2C2(CCC(c3ccccc3)CC2)N1 ZINC000004013730 210099833 /nfs/dbraw/zinc/09/98/33/210099833.db2.gz SMRLOGGWWFKAPL-UHFFFAOYSA-N 1 0 331.423 3.787 50 0 EHAARO CC(C)=CC(=O)NC[C@@H]1CC[N@H+](Cc2[nH]c3ccc(C)cc3c2C)C1 ZINC000067818991 215221019 /nfs/dbraw/zinc/22/10/19/215221019.db2.gz RHVFJKYWCFHOIB-KRWDZBQOSA-N 1 0 339.483 3.689 50 0 EHAARO Cc1oc(-c2ccc3ccccc3c2)nc1CN1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000067867194 215234943 /nfs/dbraw/zinc/23/49/43/215234943.db2.gz PDLQHKBLNDYTNY-KDURUIRLSA-N 1 0 333.435 3.739 50 0 EHAARO Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@H+](C2CCCC2)CCO3)n1 ZINC000067872194 215236488 /nfs/dbraw/zinc/23/64/88/215236488.db2.gz PMNKSFZKIDWYPP-UHFFFAOYSA-N 1 0 339.439 3.603 50 0 EHAARO C[NH+]1CCN(Cc2ccccc2Oc2nccc3ccccc32)CC1 ZINC000067878139 215238146 /nfs/dbraw/zinc/23/81/46/215238146.db2.gz DMPTUDIDKSELJF-UHFFFAOYSA-N 1 0 333.435 3.775 50 0 EHAARO Cc1ccccc1NC(=S)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000040071331 213257595 /nfs/dbraw/zinc/25/75/95/213257595.db2.gz BQEBHBOHYUFNBJ-MRXNPFEDSA-N 1 0 339.508 3.728 50 0 EHAARO Cc1ccc(C(=O)N2CCCCC2)c(C2CC[NH+](CC(C)C)CC2)n1 ZINC000037554363 213157047 /nfs/dbraw/zinc/15/70/47/213157047.db2.gz MNRGAJSQJYRSNU-UHFFFAOYSA-N 1 0 343.515 3.852 50 0 EHAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036452525 213098814 /nfs/dbraw/zinc/09/88/14/213098814.db2.gz JLPPICQAWSOLCD-MSOLQXFVSA-N 1 0 329.827 3.729 50 0 EHAARO CC(C)[NH2+]Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036154307 213074238 /nfs/dbraw/zinc/07/42/38/213074238.db2.gz SWHCVIRYYORFMY-UHFFFAOYSA-N 1 0 333.844 3.803 50 0 EHAARO CCC[C@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101914 213067538 /nfs/dbraw/zinc/06/75/38/213067538.db2.gz LCULICYDZCQOGZ-IBGZPJMESA-N 1 0 341.451 3.887 50 0 EHAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccsc1)CC(C)C ZINC000036099217 213065987 /nfs/dbraw/zinc/06/59/87/213065987.db2.gz QVODUNPGIXYFHZ-SFHVURJKSA-N 1 0 333.497 3.954 50 0 EHAARO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)o1 ZINC000036097669 213065302 /nfs/dbraw/zinc/06/53/02/213065302.db2.gz LQSNJQDUWBOFKU-IBGZPJMESA-N 1 0 331.456 3.624 50 0 EHAARO C[NH+]1CCC(Cn2ccnc2-c2ccccn2)(c2ccccc2)CC1 ZINC000071748030 215803938 /nfs/dbraw/zinc/80/39/38/215803938.db2.gz HJEPDJPUFPNUTR-UHFFFAOYSA-N 1 0 332.451 3.609 50 0 EHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000072151376 216039250 /nfs/dbraw/zinc/03/92/50/216039250.db2.gz JOZKRCGBVOSWBI-MRSBXDGLSA-N 1 0 338.451 3.785 50 0 EHAARO CN1CCC([N@H+](Cc2cccnc2)Cc2cccc3cnccc32)CC1 ZINC000072152550 216040325 /nfs/dbraw/zinc/04/03/25/216040325.db2.gz YYSSJTIFEONGFQ-UHFFFAOYSA-N 1 0 346.478 3.726 50 0 EHAARO Cc1ccc([C@H](C)CC[NH+]2CCN(Cc3ncccc3C)CC2)o1 ZINC000072157324 216047368 /nfs/dbraw/zinc/04/73/68/216047368.db2.gz QYMOZIMUPSIZFK-QGZVFWFLSA-N 1 0 327.472 3.603 50 0 EHAARO CC[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)CC[N@@H+]1C(C)C ZINC000072165184 216054781 /nfs/dbraw/zinc/05/47/81/216054781.db2.gz PZTRRXWCIFOPTP-MRXNPFEDSA-N 1 0 330.501 3.510 50 0 EHAARO c1c(C[N@H+]2CCC[C@@H](OCc3ccccn3)C2)onc1-c1ccccc1 ZINC000072167389 216057809 /nfs/dbraw/zinc/05/78/09/216057809.db2.gz QUWVEVLAHHFOQB-LJQANCHMSA-N 1 0 349.434 3.918 50 0 EHAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C(F)(F)F ZINC000072162822 216051524 /nfs/dbraw/zinc/05/15/24/216051524.db2.gz ZXKNXPDIRSLLJK-HNNXBMFYSA-N 1 0 346.368 3.725 50 0 EHAARO CN(C(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072163673 216051561 /nfs/dbraw/zinc/05/15/61/216051561.db2.gz WTZDICKUHKHBDV-HXUWFJFHSA-N 1 0 349.478 3.782 50 0 EHAARO COc1ccc([C@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000353222 209546975 /nfs/dbraw/zinc/54/69/75/209546975.db2.gz GSANOENIEMRXNW-SFTDATJTSA-N 1 0 325.452 3.998 50 0 EHAARO CCCOc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3CC)cc1OC ZINC000072298389 216136839 /nfs/dbraw/zinc/13/68/39/216136839.db2.gz DAKUBRVEDQAMOT-QGZVFWFLSA-N 1 0 343.471 3.868 50 0 EHAARO O=c1c2sccc2ncn1CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000072608698 216280428 /nfs/dbraw/zinc/28/04/28/216280428.db2.gz BBBBQDMNHGTRIE-QGZVFWFLSA-N 1 0 339.464 3.589 50 0 EHAARO COc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1OC ZINC000072670267 216290424 /nfs/dbraw/zinc/29/04/24/216290424.db2.gz FOCKSCDVLYKDOL-QGZVFWFLSA-N 1 0 344.455 3.614 50 0 EHAARO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(F)cc3)o2)C1 ZINC000072837638 216315436 /nfs/dbraw/zinc/31/54/36/216315436.db2.gz WRQZTGILGDQVEO-HUUCEWRRSA-N 1 0 335.448 3.982 50 0 EHAARO Fc1cccc(CC[N@H+](Cc2nnc(-c3ccco3)o2)C2CC2)c1 ZINC000073166815 216359927 /nfs/dbraw/zinc/35/99/27/216359927.db2.gz VTMJWBRNWJDADZ-UHFFFAOYSA-N 1 0 327.359 3.676 50 0 EHAARO COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc2c1OCO2 ZINC000023279637 212366143 /nfs/dbraw/zinc/36/61/43/212366143.db2.gz CQSNAAHALWCZHT-UHFFFAOYSA-N 1 0 349.430 3.985 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Cc1cccc2ccccc21)c1cccs1 ZINC000023105581 212348514 /nfs/dbraw/zinc/34/85/14/212348514.db2.gz BOGORQGVPAAQFP-GOSISDBHSA-N 1 0 338.476 3.863 50 0 EHAARO C[C@H](c1ccccc1)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000023039495 212344131 /nfs/dbraw/zinc/34/41/31/212344131.db2.gz WSXDMECCIWHRRA-CYBMUJFWSA-N 1 0 327.815 3.541 50 0 EHAARO Cc1ncoc1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000075091958 216551434 /nfs/dbraw/zinc/55/14/34/216551434.db2.gz ATGPCJJKWOMLGG-UHFFFAOYSA-N 1 0 341.455 3.678 50 0 EHAARO COc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(OC)c1OC ZINC000022784755 212323945 /nfs/dbraw/zinc/32/39/45/212323945.db2.gz ZEICMTCHNCRBTK-LLVKDONJSA-N 1 0 337.366 3.841 50 0 EHAARO CCN(CC)CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000022075535 212276685 /nfs/dbraw/zinc/27/66/85/212276685.db2.gz JCJYWCRHKLEELX-UHFFFAOYSA-N 1 0 330.447 3.836 50 0 EHAARO OCC[C@@H]1C[N@H+](Cc2cccc3c4ccccc4sc32)CCO1 ZINC000215189786 241110478 /nfs/dbraw/zinc/11/04/78/241110478.db2.gz HKXUGZSBSURHFI-OAHLLOKOSA-N 1 0 327.449 3.638 50 0 EHAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215489375 241128830 /nfs/dbraw/zinc/12/88/30/241128830.db2.gz BLGPUAVQXXPTAN-NRFANRHFSA-N 1 0 337.467 3.618 50 0 EHAARO O=C(CCCc1ccc(F)cc1)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000223371678 241639790 /nfs/dbraw/zinc/63/97/90/241639790.db2.gz OXFCRAUZUPLWLA-KRWDZBQOSA-N 1 0 332.463 3.529 50 0 EHAARO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@@H]2c2cccs2)cc1 ZINC000227150440 242121751 /nfs/dbraw/zinc/12/17/51/242121751.db2.gz RGUCWJXJVKWPAM-ZBFHGGJFSA-N 1 0 329.469 3.523 50 0 EHAARO COc1ccc([C@H](CNC(=O)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000021196994 212215881 /nfs/dbraw/zinc/21/58/81/212215881.db2.gz HXDJZSCHCLKVNT-IBGZPJMESA-N 1 0 330.472 3.529 50 0 EHAARO Fc1ccccc1C1CC([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000237810139 242804947 /nfs/dbraw/zinc/80/49/47/242804947.db2.gz XEQXLDUJTQQLAB-IYXRBSQSSA-N 1 0 330.369 3.546 50 0 EHAARO CC[C@@](O)(c1ccc(C)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021169746 212213570 /nfs/dbraw/zinc/21/35/70/212213570.db2.gz HWDBQBWUEQGVFN-FCHUYYIVSA-N 1 0 339.479 3.709 50 0 EHAARO C[C@@H](Cc1ccccn1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000244626837 243048375 /nfs/dbraw/zinc/04/83/75/243048375.db2.gz FTOLMBMAHAWSJU-AWEZNQCLSA-N 1 0 331.847 3.627 50 0 EHAARO C[NH+](C)Cn1cc(CCCC(=O)N2CCCCCC2)c2ccccc21 ZINC000020650788 212160681 /nfs/dbraw/zinc/16/06/81/212160681.db2.gz LMYKVFNOZKURTC-UHFFFAOYSA-N 1 0 341.499 3.886 50 0 EHAARO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)cc2c1 ZINC000253536513 244011502 /nfs/dbraw/zinc/01/15/02/244011502.db2.gz HJBPZLMAGGEWDS-HNNXBMFYSA-N 1 0 336.439 3.660 50 0 EHAARO Cc1csc(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)c1 ZINC000077103920 216838624 /nfs/dbraw/zinc/83/86/24/216838624.db2.gz VBUJGHVCSBWREK-UHFFFAOYSA-N 1 0 334.510 3.727 50 0 EHAARO Brc1ccccc1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019789357 212066522 /nfs/dbraw/zinc/06/65/22/212066522.db2.gz ZIOLAORBLJUKRC-MRXNPFEDSA-N 1 0 349.316 3.923 50 0 EHAARO c1ccc(C2CCC([NH+]3CCN(Cc4ccncc4)CC3)CC2)cc1 ZINC000019364381 212020968 /nfs/dbraw/zinc/02/09/68/212020968.db2.gz PUQXWUWIQUIUSP-UHFFFAOYSA-N 1 0 335.495 3.926 50 0 EHAARO CC[C@@H](CCO)C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000079075322 217188137 /nfs/dbraw/zinc/18/81/37/217188137.db2.gz SYDYXKDPKPQXPA-KRWDZBQOSA-N 1 0 341.499 3.723 50 0 EHAARO FC(F)(F)c1cccc([C@@H]2CN(CCC[NH+]3CCCC3)CCO2)c1 ZINC000089774530 217841032 /nfs/dbraw/zinc/84/10/32/217841032.db2.gz VAMHXZWHZIOUPB-KRWDZBQOSA-N 1 0 342.405 3.565 50 0 EHAARO CC(C)c1ccc(O[C@H](C)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012383018 211363368 /nfs/dbraw/zinc/36/33/68/211363368.db2.gz IHRZCFXLLCPJCQ-MRXNPFEDSA-N 1 0 332.488 3.566 50 0 EHAARO C[NH+](C)CCSc1nc2scc(-c3ccccc3)c2c(N)n1 ZINC000012324609 211348072 /nfs/dbraw/zinc/34/80/72/211348072.db2.gz LKUFRTKZNJNJOX-UHFFFAOYSA-N 1 0 330.482 3.594 50 0 EHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1CCC1 ZINC000012111910 211291554 /nfs/dbraw/zinc/29/15/54/211291554.db2.gz ZKYVLKRLQINMJU-KRWDZBQOSA-N 1 0 348.918 3.853 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1cc2ccccc2o1 ZINC000012025725 211281802 /nfs/dbraw/zinc/28/18/02/211281802.db2.gz HNHFTIBYNGTDTL-IBGZPJMESA-N 1 0 348.446 3.870 50 0 EHAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCO)c(C)o2)cc1C ZINC000012027344 211281666 /nfs/dbraw/zinc/28/16/66/211281666.db2.gz HUXPGTPXQYKVSZ-QGZVFWFLSA-N 1 0 344.455 3.704 50 0 EHAARO CSc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000011842354 211256447 /nfs/dbraw/zinc/25/64/47/211256447.db2.gz STDRYRMNKCOICE-FQEVSTJZSA-N 1 0 344.524 3.633 50 0 EHAARO OC[C@@]1(CC2CC2)CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000091645166 218038385 /nfs/dbraw/zinc/03/83/85/218038385.db2.gz GQIDIMPGPZEUNK-OAQYLSRUSA-N 1 0 343.515 3.899 50 0 EHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](CC2CC2)C1 ZINC000011770387 211246442 /nfs/dbraw/zinc/24/64/42/211246442.db2.gz VJLFNOJENDORHC-FQEVSTJZSA-N 1 0 331.456 3.511 50 0 EHAARO C[C@H](c1ccc(-c2cn(C3Cc4ccccc4C3)nn2)cc1)[NH+](C)C ZINC000091663298 218042045 /nfs/dbraw/zinc/04/20/45/218042045.db2.gz YXCRURLLNPCUSY-OAHLLOKOSA-N 1 0 332.451 3.908 50 0 EHAARO O=C(c1ccc(Cl)cc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091794489 218067606 /nfs/dbraw/zinc/06/76/06/218067606.db2.gz RADSGNIYOFKODR-CRAIPNDOSA-N 1 0 332.875 3.677 50 0 EHAARO C[NH+](C)Cc1cccc(-c2cn(Cc3ccc(Cl)s3)nn2)c1 ZINC000091846060 218075576 /nfs/dbraw/zinc/07/55/76/218075576.db2.gz LMMOVFKCMIJCAK-UHFFFAOYSA-N 1 0 332.860 3.770 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N2CCCC[C@H]2c2ccccn2)CC1 ZINC000092001818 218101449 /nfs/dbraw/zinc/10/14/49/218101449.db2.gz SEZFNOLEGJZMRL-IBGZPJMESA-N 1 0 329.488 3.647 50 0 EHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000009849814 211129270 /nfs/dbraw/zinc/12/92/70/211129270.db2.gz PVBYVWDKEQMFAX-CQSZACIVSA-N 1 0 347.846 3.505 50 0 EHAARO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000093609403 218234104 /nfs/dbraw/zinc/23/41/04/218234104.db2.gz AIXVKPVRVHMNFH-UHOSZYNNSA-N 1 0 325.456 3.630 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccncc2)n1 ZINC000093453571 218226984 /nfs/dbraw/zinc/22/69/84/218226984.db2.gz IUYUPVRWHSBTNP-IBGZPJMESA-N 1 0 333.439 3.523 50 0 EHAARO CC(C)N1CC2(CCC1=O)CCN(c1cc[nH+]c3ccccc31)CC2 ZINC000095371691 218303854 /nfs/dbraw/zinc/30/38/54/218303854.db2.gz FOXMXHHXMBOTCE-UHFFFAOYSA-N 1 0 337.467 3.852 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000095392669 218323653 /nfs/dbraw/zinc/32/36/53/218323653.db2.gz UPFUZRBLLXOOGA-UHFFFAOYSA-N 1 0 336.357 3.996 50 0 EHAARO CC[N@@H+]1CCC[C@H](CNc2nc(-c3ccncc3)nc3ccccc32)C1 ZINC000095389803 218321500 /nfs/dbraw/zinc/32/15/00/218321500.db2.gz FNDBQVGVBVQFOQ-MRXNPFEDSA-N 1 0 347.466 3.836 50 0 EHAARO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc3c(ccn3CC)c1)C2 ZINC000095383744 218316127 /nfs/dbraw/zinc/31/61/27/218316127.db2.gz FMAQVNTWIDZVEJ-AZUAARDMSA-N 1 0 325.500 3.967 50 0 EHAARO Cn1cc(CCC[N@H+](C)[C@@H](c2ccc(F)cc2)c2cccnc2)cn1 ZINC000095395806 218327202 /nfs/dbraw/zinc/32/72/02/218327202.db2.gz JBIPVYZJDRGBFD-FQEVSTJZSA-N 1 0 338.430 3.608 50 0 EHAARO CCCn1c(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)nc2ccccc21 ZINC000095402061 218336736 /nfs/dbraw/zinc/33/67/36/218336736.db2.gz DWEZRPYRJSSXKN-INIZCTEOSA-N 1 0 337.471 3.618 50 0 EHAARO C[NH+](C)CCSc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1 ZINC000095412337 218349709 /nfs/dbraw/zinc/34/97/09/218349709.db2.gz BSCUDXLOYPQQBH-UHFFFAOYSA-N 1 0 333.501 3.748 50 0 EHAARO C[C@H](CCSc1ccccc1)[NH+]1CCC(c2nncn2C)CC1 ZINC000095428282 218370389 /nfs/dbraw/zinc/37/03/89/218370389.db2.gz FMRZXEJMPGFDJB-OAHLLOKOSA-N 1 0 330.501 3.565 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc(F)ccc1F ZINC000095420648 218361690 /nfs/dbraw/zinc/36/16/90/218361690.db2.gz SENOJQXXHSSXME-AWEZNQCLSA-N 1 0 344.405 3.938 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)cc1F ZINC000095420789 218361810 /nfs/dbraw/zinc/36/18/10/218361810.db2.gz KKCOYXKEIGMOIJ-AWEZNQCLSA-N 1 0 325.387 3.871 50 0 EHAARO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cc(F)c(F)c(F)c1 ZINC000095420495 218362086 /nfs/dbraw/zinc/36/20/86/218362086.db2.gz IIUQBYDTHWOEOJ-ZJUUUORDSA-N 1 0 340.311 3.639 50 0 EHAARO COc1ccc(C[C@@H]([NH2+]C2CCOCC2)c2ccccc2)cc1OC ZINC000095421709 218364227 /nfs/dbraw/zinc/36/42/27/218364227.db2.gz FPFZSPBSDFZVGS-LJQANCHMSA-N 1 0 341.451 3.756 50 0 EHAARO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cnc2ccsc2c1 ZINC000095422374 218365237 /nfs/dbraw/zinc/36/52/37/218365237.db2.gz BSGFAKAGWJJNMN-ZDUSSCGKSA-N 1 0 331.485 3.596 50 0 EHAARO CCS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000095423486 218365768 /nfs/dbraw/zinc/36/57/68/218365768.db2.gz RYOFYFYYVUKJDA-IACUBPJLSA-N 1 0 345.505 3.554 50 0 EHAARO CC(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000095967618 218472586 /nfs/dbraw/zinc/47/25/86/218472586.db2.gz QFLWKVGJFBKWGM-HNNXBMFYSA-N 1 0 343.393 3.535 50 0 EHAARO Cc1ccc2[nH]c3c(ncnc3NCC[NH+](C(C)C)C(C)C)c2c1 ZINC000005215930 210415763 /nfs/dbraw/zinc/41/57/63/210415763.db2.gz ZZQPZACZJVPESF-UHFFFAOYSA-N 1 0 325.460 3.950 50 0 EHAARO COc1cc(C[NH2+][C@@H](CN(C)C)c2ccccc2)cc(Cl)c1OC ZINC000096971440 218907417 /nfs/dbraw/zinc/90/74/17/218907417.db2.gz ZBFZABZZDWWNOO-KRWDZBQOSA-N 1 0 348.874 3.750 50 0 EHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccc(C)cc1 ZINC000005019354 210363793 /nfs/dbraw/zinc/36/37/93/210363793.db2.gz GYVPYNSQDOKYOU-IBGZPJMESA-N 1 0 341.451 3.851 50 0 EHAARO Cc1ccc(SC2CCN(C(=O)[C@H]3CCCCC[N@H+]3C)CC2)cc1 ZINC000097294934 219009945 /nfs/dbraw/zinc/00/99/45/219009945.db2.gz OWJXCXPYVQASCJ-LJQANCHMSA-N 1 0 346.540 3.953 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)c1c(C)n(C)c2ccc(OC)cc21 ZINC000004808407 210281843 /nfs/dbraw/zinc/28/18/43/210281843.db2.gz OLWUUVWJTYTMDB-HNNXBMFYSA-N 1 0 328.456 3.943 50 0 EHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000299738549 258010914 /nfs/dbraw/zinc/01/09/14/258010914.db2.gz CEELBMBGKINAHO-CVEARBPZSA-N 1 0 330.472 3.598 50 0 EHAARO COc1ccnc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)c1 ZINC000072161374 258064406 /nfs/dbraw/zinc/06/44/06/258064406.db2.gz DBFKQXIPDXKHNP-SFHVURJKSA-N 1 0 326.440 3.783 50 0 EHAARO COc1cc(C)c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000186798025 533588117 /nfs/dbraw/zinc/58/81/17/533588117.db2.gz AKFRHLMBBYSJEB-UHFFFAOYSA-N 1 0 349.450 3.671 50 0 EHAARO CC[NH2+]Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2C)c1 ZINC000123498923 222288551 /nfs/dbraw/zinc/28/85/51/222288551.db2.gz ZZTIBXPVKYFQIN-UHFFFAOYSA-N 1 0 334.423 3.543 50 0 EHAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)C1 ZINC000179020687 522090880 /nfs/dbraw/zinc/09/08/80/522090880.db2.gz HFEZPPPNSTWPOV-QGZVFWFLSA-N 1 0 337.467 3.729 50 0 EHAARO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000000054933 526435159 /nfs/dbraw/zinc/43/51/59/526435159.db2.gz QPHRVUMZLUQZGU-UHFFFAOYSA-N 1 0 326.415 3.611 50 0 EHAARO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1C ZINC000000239658 563264933 /nfs/dbraw/zinc/26/49/33/563264933.db2.gz WZKCUIUWLITPHU-UHFFFAOYSA-N 1 0 328.431 3.773 50 0 EHAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000000350499 563288998 /nfs/dbraw/zinc/28/89/98/563288998.db2.gz GBBGYHUYRLONBJ-HXUWFJFHSA-N 1 0 339.479 3.916 50 0 EHAARO CC(C)Oc1cccnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000002380372 563430846 /nfs/dbraw/zinc/43/08/46/563430846.db2.gz WFLHEXUTTRRXFJ-UHFFFAOYSA-N 1 0 339.483 3.970 50 0 in-vitro EHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccccc3C)c2)C1 ZINC000034670277 563445186 /nfs/dbraw/zinc/44/51/86/563445186.db2.gz YRTHSKCKWZELPZ-GOSISDBHSA-N 1 0 338.451 3.832 50 0 EHAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000006747467 563584940 /nfs/dbraw/zinc/58/49/40/563584940.db2.gz GAASQDHCSIZDDV-AWEZNQCLSA-N 1 0 349.858 3.706 50 0 EHAARO OCc1ccc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)o1 ZINC000012570674 563663505 /nfs/dbraw/zinc/66/35/05/563663505.db2.gz SWYRSPLKOMYSEM-AWEZNQCLSA-N 1 0 335.394 3.895 50 0 EHAARO CCc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000013041894 563686334 /nfs/dbraw/zinc/68/63/34/563686334.db2.gz BGQYDTHROPMRNT-LLVKDONJSA-N 1 0 336.357 3.956 50 0 EHAARO CCC[NH+]1CCC(NC(=O)c2c(OCC)ccc3ccccc32)CC1 ZINC000013326139 563695004 /nfs/dbraw/zinc/69/50/04/563695004.db2.gz BPTOAOIELVZDJK-UHFFFAOYSA-N 1 0 340.467 3.843 50 0 EHAARO CCc1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2)[NH+](C)C)cc1 ZINC000032734439 563722199 /nfs/dbraw/zinc/72/21/99/563722199.db2.gz LLIBKPZWXSXYHC-FQEVSTJZSA-N 1 0 338.495 3.946 50 0 EHAARO COCCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000014095767 563740443 /nfs/dbraw/zinc/74/04/43/563740443.db2.gz CNHGUTXQEXQRGJ-UHFFFAOYSA-N 1 0 332.831 3.718 50 0 EHAARO O=C(c1ccc(Cl)cc1)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631254 563762336 /nfs/dbraw/zinc/76/23/36/563762336.db2.gz UIRUMNBSFQDBSS-CQSZACIVSA-N 1 0 329.827 3.949 50 0 EHAARO Fc1ccccc1C[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 ZINC000015078934 563776840 /nfs/dbraw/zinc/77/68/40/563776840.db2.gz LRCACHYTAQVGHF-MRXNPFEDSA-N 1 0 328.387 3.631 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCC2)o1 ZINC000015860160 563796503 /nfs/dbraw/zinc/79/65/03/563796503.db2.gz UIGTWVAIOSYFNJ-GOSISDBHSA-N 1 0 326.440 3.853 50 0 EHAARO Cc1cccc([N+]2=C3CCCCN3[C@@](O)(c3cccs3)C2)c1C ZINC000015962076 563800797 /nfs/dbraw/zinc/80/07/97/563800797.db2.gz WJWFHCNJRHNYSC-IBGZPJMESA-N 1 0 327.473 3.625 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C)CC1 ZINC000016299656 563808185 /nfs/dbraw/zinc/80/81/85/563808185.db2.gz UADJFYNOHAIAHE-UHFFFAOYSA-N 1 0 341.430 3.528 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000043181978 563859368 /nfs/dbraw/zinc/85/93/68/563859368.db2.gz QLCCKCIBFFVEPO-CQSZACIVSA-N 1 0 337.895 3.821 50 0 EHAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000043325526 563863112 /nfs/dbraw/zinc/86/31/12/563863112.db2.gz LVXCXKVZIILWFB-UHFFFAOYSA-N 1 0 341.430 3.920 50 0 EHAARO Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCO1 ZINC000434009226 563866474 /nfs/dbraw/zinc/86/64/74/563866474.db2.gz WGZSAKBIWLMRRS-BNDYYXHWSA-N 1 0 339.483 3.956 50 0 EHAARO CC(C)[NH+]1CCC(N(C)Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000069892478 563867515 /nfs/dbraw/zinc/86/75/15/563867515.db2.gz JRZGVLHVQHGMTR-UHFFFAOYSA-N 1 0 348.878 3.695 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(COC)c1 ZINC000024182923 563869678 /nfs/dbraw/zinc/86/96/78/563869678.db2.gz CYBQHYZAXONHEO-UHFFFAOYSA-N 1 0 340.467 3.605 50 0 EHAARO CC(C)CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000026120976 563889765 /nfs/dbraw/zinc/88/97/65/563889765.db2.gz JWTYGEDTGOGVKN-UHFFFAOYSA-N 1 0 342.487 3.790 50 0 EHAARO CC1(C)CC(NC(=O)NCC23CC4CC(CC(C4)C2)C3)CC(C)(C)[NH2+]1 ZINC000026179737 563890118 /nfs/dbraw/zinc/89/01/18/563890118.db2.gz ICEXMCHCMIGXGK-UHFFFAOYSA-N 1 0 347.547 3.811 50 0 EHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000026494030 563891828 /nfs/dbraw/zinc/89/18/28/563891828.db2.gz DQGJCELNGPAFAU-KTKXKACQSA-N 1 0 338.495 3.594 50 0 EHAARO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1csc2ccccc21 ZINC000072268281 563895326 /nfs/dbraw/zinc/89/53/26/563895326.db2.gz QPKKGBTZRXOTNL-KGLIPLIRSA-N 1 0 331.485 3.555 50 0 EHAARO CCCCOc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000027583784 563897428 /nfs/dbraw/zinc/89/74/28/563897428.db2.gz PNAAIYZBVWOJCL-UHFFFAOYSA-N 1 0 332.488 3.860 50 0 EHAARO CCc1oc2ccccc2c1C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000030901195 563911662 /nfs/dbraw/zinc/91/16/62/563911662.db2.gz HXTOKXPGSRLWDJ-UHFFFAOYSA-N 1 0 332.407 3.866 50 0 EHAARO Brc1ccc(OCCCCCC[NH+]2CCOCC2)cc1 ZINC000023115449 563918658 /nfs/dbraw/zinc/91/86/58/563918658.db2.gz FNRDPXXKZKMPKW-UHFFFAOYSA-N 1 0 342.277 3.721 50 0 EHAARO Brc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042776128 563925041 /nfs/dbraw/zinc/92/50/41/563925041.db2.gz FAEDAZTWZDNRBU-SECBINFHSA-N 1 0 349.066 3.590 50 0 EHAARO CC[NH+]1CCC(NC(=O)Nc2cccc(-c3nc(C)cs3)c2)CC1 ZINC000071855090 563928281 /nfs/dbraw/zinc/92/82/81/563928281.db2.gz VAOGRWNPYZAHJK-UHFFFAOYSA-N 1 0 344.484 3.724 50 0 EHAARO Cc1c(O)ccc2c(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)cc(=O)oc12 ZINC000058144835 563937766 /nfs/dbraw/zinc/93/77/66/563937766.db2.gz ABCDJNKWRDCUNG-NSHDSACASA-N 1 0 345.345 3.936 50 0 EHAARO CCC[NH+]1CCC2(CC1)Nc1ccccc1N(CC(C)(C)C)C2=O ZINC000063835068 563956090 /nfs/dbraw/zinc/95/60/90/563956090.db2.gz CASWHWXFMZEHHT-UHFFFAOYSA-N 1 0 329.488 3.736 50 0 EHAARO C/C=C/C[N@@H+]1CCC=C(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000065404402 563959953 /nfs/dbraw/zinc/95/99/53/563959953.db2.gz INJFMHOYIWFYCA-NSCUHMNNSA-N 1 0 328.500 3.527 50 0 EHAARO COc1cccc(-c2[nH]cnc2-c2ccccc2)c1OCC[NH+](C)C ZINC000065406284 563960067 /nfs/dbraw/zinc/96/00/67/563960067.db2.gz CKYAIDTVPRLNEY-UHFFFAOYSA-N 1 0 337.423 3.693 50 0 EHAARO CC(C)[NH+]1CCC(C(=O)NCc2scnc2-c2ccccc2)CC1 ZINC000065528212 563961855 /nfs/dbraw/zinc/96/18/55/563961855.db2.gz MNANQNNZADGYCW-UHFFFAOYSA-N 1 0 343.496 3.547 50 0 EHAARO CCCc1cnc(N2CC[NH+](Cc3c[nH]c4c3cccc4C)CC2)nc1 ZINC000067741522 563962673 /nfs/dbraw/zinc/96/26/73/563962673.db2.gz LRSNJCPTNFUOOG-UHFFFAOYSA-N 1 0 349.482 3.541 50 0 EHAARO FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCCc3ccncc3)C2)n1 ZINC000360609575 563963388 /nfs/dbraw/zinc/96/33/88/563963388.db2.gz DTPZKMKVOFJXBA-HNNXBMFYSA-N 1 0 338.377 3.567 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)NC1CCCC1 ZINC000060463873 563963667 /nfs/dbraw/zinc/96/36/67/563963667.db2.gz XXHSVHQMUFKVFK-MRXNPFEDSA-N 1 0 343.496 3.882 50 0 EHAARO COc1ccc2cc([C@@H]3C[N@H+](CCCCCCO)CCO3)ccc2c1 ZINC000071752483 563965179 /nfs/dbraw/zinc/96/51/79/563965179.db2.gz BWSGUMRVGRVVNC-NRFANRHFSA-N 1 0 343.467 3.774 50 0 EHAARO Cn1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)c(-c2cccnc2)n1 ZINC000097015233 563966672 /nfs/dbraw/zinc/96/66/72/563966672.db2.gz DZJMLUPUWJNQGP-GOSISDBHSA-N 1 0 348.450 3.874 50 0 EHAARO Cc1sc2nc(C3CCCCC3)nc(N3CC[NH2+]CC3)c2c1C ZINC000077010854 563968580 /nfs/dbraw/zinc/96/85/80/563968580.db2.gz ZCVPSIGPZXWCGO-UHFFFAOYSA-N 1 0 330.501 3.765 50 0 EHAARO CC(C)c1noc([C@@H]2CCCN2Cc2ccc3nsnc3c2)n1 ZINC000077504924 563970007 /nfs/dbraw/zinc/97/00/07/563970007.db2.gz LLRDEPQTEQSVSZ-AWEZNQCLSA-N 1 0 329.429 3.535 50 0 EHAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000082147408 563972712 /nfs/dbraw/zinc/97/27/12/563972712.db2.gz ZRSUIMKFHNWNNI-ZDUSSCGKSA-N 1 0 341.352 3.958 50 0 EHAARO COc1ccccc1NC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC=C(C)C)C1 ZINC000091320955 563975252 /nfs/dbraw/zinc/97/52/52/563975252.db2.gz AXMXTAYNGKCUIC-IAGOWNOFSA-N 1 0 343.471 3.590 50 0 EHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CC(C)(C)c1ccccc1)C2 ZINC000091575472 563975520 /nfs/dbraw/zinc/97/55/20/563975520.db2.gz YWASVWZJVJDPAJ-IEBWSBKVSA-N 1 0 328.500 3.687 50 0 EHAARO CCn1ccnc1[C@@H]1CCC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000092028258 563975988 /nfs/dbraw/zinc/97/59/88/563975988.db2.gz QLFBVALRFONFPB-QGZVFWFLSA-N 1 0 343.446 3.885 50 0 EHAARO O=C(C[C@@H](c1ccccc1)c1ccccc1Cl)N1CCC[NH2+]CC1 ZINC000095526751 563977501 /nfs/dbraw/zinc/97/75/01/563977501.db2.gz VKIOWVPCWNGNGP-SFHVURJKSA-N 1 0 342.870 3.684 50 0 EHAARO CCCCn1nc(C2CCCC2)nc1[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000096130937 563979334 /nfs/dbraw/zinc/97/93/34/563979334.db2.gz QYIDVXUDQUDTJJ-KRWDZBQOSA-N 1 0 328.460 3.684 50 0 EHAARO COc1cccc(NC(=O)N2CCC([N@H+](C)CCC(C)C)CC2)c1 ZINC000000261529 563989692 /nfs/dbraw/zinc/98/96/92/563989692.db2.gz IAUHWRMAJXZAMD-UHFFFAOYSA-N 1 0 333.476 3.669 50 0 EHAARO Cc1ccc(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000000352532 563991578 /nfs/dbraw/zinc/99/15/78/563991578.db2.gz IHIGKZPAVJSBCG-OAQYLSRUSA-N 1 0 339.434 3.784 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000155172868 563995535 /nfs/dbraw/zinc/99/55/35/563995535.db2.gz CLNYOVWFOQANHQ-IBGZPJMESA-N 1 0 334.423 3.817 50 0 EHAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2F)C1 ZINC000179018400 563996412 /nfs/dbraw/zinc/99/64/12/563996412.db2.gz IJKCEODUYUSISM-ZDUSSCGKSA-N 1 0 346.833 3.828 50 0 EHAARO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000065539087 563998445 /nfs/dbraw/zinc/99/84/45/563998445.db2.gz ZZOSZSXQGOLVMP-HNNXBMFYSA-N 1 0 342.830 3.605 50 0 EHAARO CC(C)CC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCCCC1)n2C ZINC000005207526 564000600 /nfs/dbraw/zinc/00/06/00/564000600.db2.gz VGIWXESXHKNUCY-UHFFFAOYSA-N 1 0 342.487 3.586 50 0 EHAARO O=C(Cc1ccc2ccccc2c1)NC1CCN(c2ccccn2)CC1 ZINC000046618534 564002099 /nfs/dbraw/zinc/00/20/99/564002099.db2.gz IVAIHMXKHVBVIH-UHFFFAOYSA-N 1 0 345.446 3.563 50 0 EHAARO CC(=O)Nc1ccc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272708340 564007486 /nfs/dbraw/zinc/00/74/86/564007486.db2.gz BZZQQXKWJHKOQG-VQIMIIECSA-N 1 0 337.467 3.968 50 0 EHAARO CCc1nc2ccccc2c(NC(=O)C[NH2+]C2CCCCC2)c1C ZINC000003150519 564015079 /nfs/dbraw/zinc/01/50/79/564015079.db2.gz YTUPUYAVCDYXEX-UHFFFAOYSA-N 1 0 325.456 3.966 50 0 EHAARO COc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc2c1OCCO2 ZINC000014125542 564021458 /nfs/dbraw/zinc/02/14/58/564021458.db2.gz HERCSSLEVKOBHM-LBPRGKRZSA-N 1 0 333.815 3.971 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000103936561 564023350 /nfs/dbraw/zinc/02/33/50/564023350.db2.gz NTSMQPCQMKQIIL-UZLBHIALSA-N 1 0 338.451 3.710 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+]2CCCCC2)CCCC1 ZINC000000571479 564023712 /nfs/dbraw/zinc/02/37/12/564023712.db2.gz QKGRSGOCSRBSLD-QGZVFWFLSA-N 1 0 326.484 3.675 50 0 EHAARO CS[C@@H]1CCC[C@H]1[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000107355733 564026915 /nfs/dbraw/zinc/02/69/15/564026915.db2.gz SKCLLAYNYOHHQW-HZPDHXFCSA-N 1 0 342.549 3.849 50 0 EHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000107493137 564026936 /nfs/dbraw/zinc/02/69/36/564026936.db2.gz HMKFKASBVMNXAW-VGOFRKELSA-N 1 0 348.490 3.670 50 0 EHAARO CC[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1OC ZINC000045463432 564028447 /nfs/dbraw/zinc/02/84/47/564028447.db2.gz PSFUUDTYOGHLLN-GOSISDBHSA-N 1 0 347.503 3.566 50 0 EHAARO O=C(c1cc2ccccc2o1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000045799851 564028678 /nfs/dbraw/zinc/02/86/78/564028678.db2.gz OMVJEGIHFMHTLM-UHFFFAOYSA-N 1 0 334.419 3.781 50 0 EHAARO Cc1ccoc1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048354722 564031321 /nfs/dbraw/zinc/03/13/21/564031321.db2.gz DMXVJSRNTNSUGZ-IYBDPMFKSA-N 1 0 340.467 3.996 50 0 EHAARO Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744713 564032162 /nfs/dbraw/zinc/03/21/62/564032162.db2.gz DIYDDLPPKACTSG-INIZCTEOSA-N 1 0 338.451 3.503 50 0 EHAARO CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNNc1cccc(C)c1 ZINC000095471026 564036041 /nfs/dbraw/zinc/03/60/41/564036041.db2.gz MESRYTIKYXAWCT-GZTJUZNOSA-N 1 0 340.814 3.872 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1F ZINC000024084112 564036408 /nfs/dbraw/zinc/03/64/08/564036408.db2.gz CLRPTYPTVZOGOY-GFCCVEGCSA-N 1 0 349.402 3.711 50 0 EHAARO Cc1ccccc1[C@H]([NH2+]C1CCN(C(N)=O)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000221896856 564036533 /nfs/dbraw/zinc/03/65/33/564036533.db2.gz MITVSPHZALDAAN-OXFYSEKESA-N 1 0 343.515 3.995 50 0 EHAARO C[S@@](=O)CC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000225395256 564046416 /nfs/dbraw/zinc/04/64/16/564046416.db2.gz JZUIFAAMQHMWMD-HXUWFJFHSA-N 1 0 332.252 3.722 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)c1cccs1 ZINC000225470176 564047058 /nfs/dbraw/zinc/04/70/58/564047058.db2.gz TYTYPWQAZPXTLF-QGZVFWFLSA-N 1 0 326.465 3.740 50 0 EHAARO CCCCn1c(SCCC[NH+](C)C)nnc1-c1ccc(OC)cc1 ZINC000225530684 564047591 /nfs/dbraw/zinc/04/75/91/564047591.db2.gz UFLSOXUZEFXNRX-UHFFFAOYSA-N 1 0 348.516 3.798 50 0 EHAARO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000059356500 564050678 /nfs/dbraw/zinc/05/06/78/564050678.db2.gz TXXJECHGNXLIHS-UHFFFAOYSA-N 1 0 345.487 3.865 50 0 EHAARO Cc1ccncc1C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000241277735 564051919 /nfs/dbraw/zinc/05/19/19/564051919.db2.gz LISUTRPWCXXSGN-DNVCBOLYSA-N 1 0 347.865 3.965 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC3)[NH+](C)C)cc1 ZINC000025382901 564054283 /nfs/dbraw/zinc/05/42/83/564054283.db2.gz JCMZZIHMXJKBIN-OAQYLSRUSA-N 1 0 336.479 3.770 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccccc3OC3CCCC3)[C@H]1C[C@@H](O)CC2 ZINC000299764524 564060756 /nfs/dbraw/zinc/06/07/56/564060756.db2.gz IQJCYTNUUDBLED-DZFGPLHGSA-N 1 0 345.483 3.512 50 0 EHAARO Cc1ccc(CN(C(=O)NC[C@H](C)C[NH+](C)C)C2CCCC2)s1 ZINC000534670850 564061606 /nfs/dbraw/zinc/06/16/06/564061606.db2.gz DEFJSCAPBYEZRI-AWEZNQCLSA-N 1 0 337.533 3.708 50 0 EHAARO CNC(=O)COc1ccccc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000534663990 564061637 /nfs/dbraw/zinc/06/16/37/564061637.db2.gz RFTZCRALDSAWIW-INIZCTEOSA-N 1 0 338.451 3.635 50 0 EHAARO c1ccc(CN2CCC3(CC2)[NH2+]CCc2c4ccccc4[nH]c23)cc1 ZINC000001381949 564063987 /nfs/dbraw/zinc/06/39/87/564063987.db2.gz MVEXZVFEFIOCPX-UHFFFAOYSA-N 1 0 331.463 3.805 50 0 biogenic EHAARO Brc1cc2cccnc2c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000084493625 564068268 /nfs/dbraw/zinc/06/82/68/564068268.db2.gz AFZSVMZLIRHXPX-QGZVFWFLSA-N 1 0 347.256 3.610 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1Cc1ccccc1 ZINC000084789174 564070244 /nfs/dbraw/zinc/07/02/44/564070244.db2.gz XABICZPELXZPLY-LJQANCHMSA-N 1 0 337.467 3.883 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)[C@H](C)C1 ZINC000078897507 564075177 /nfs/dbraw/zinc/07/51/77/564075177.db2.gz NYUFYUFJCPFYIJ-IAQYHMDHSA-N 1 0 346.368 3.581 50 0 EHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000078897728 564075181 /nfs/dbraw/zinc/07/51/81/564075181.db2.gz AWHQVURPPNRHPK-XJKSGUPXSA-N 1 0 342.405 3.688 50 0 EHAARO Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc3c1OCCCO3)CCC2 ZINC000090546648 564084671 /nfs/dbraw/zinc/08/46/71/564084671.db2.gz VGIVYVPKGLNSFR-CQSZACIVSA-N 1 0 330.453 3.780 50 0 EHAARO C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369189 564087555 /nfs/dbraw/zinc/08/75/55/564087555.db2.gz TZLXHHRPSYXZGO-DYEKYZERSA-N 1 0 332.879 3.503 50 0 EHAARO CS[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000241926439 564088425 /nfs/dbraw/zinc/08/84/25/564088425.db2.gz UGFDQKVXVUIERT-MOTUXRJWSA-N 1 0 340.533 3.791 50 0 EHAARO c1n[nH]cc1[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000092810165 564089041 /nfs/dbraw/zinc/08/90/41/564089041.db2.gz WXAGDOXDCKNOOZ-SFHVURJKSA-N 1 0 348.450 3.763 50 0 EHAARO Cc1nnc(CCCN2C[C@H](c3ccccc3Cl)OCC2(C)C)o1 ZINC000092796692 564089057 /nfs/dbraw/zinc/08/90/57/564089057.db2.gz SDCAPRHPNRSQBA-MRXNPFEDSA-N 1 0 349.862 3.816 50 0 EHAARO Cc1cc(C)cc(NC(=O)C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000006509233 564091188 /nfs/dbraw/zinc/09/11/88/564091188.db2.gz SQDQJQAGLIXMNA-UHFFFAOYSA-N 1 0 335.451 3.877 50 0 EHAARO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1nnc2ccccn21 ZINC000089511449 564091215 /nfs/dbraw/zinc/09/12/15/564091215.db2.gz JFNXDOGXBHOGOL-XYJFISCASA-N 1 0 336.439 3.548 50 0 EHAARO CCc1ccccc1NC(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877170 564100374 /nfs/dbraw/zinc/10/03/74/564100374.db2.gz QTKKBJLNQLNAEO-UHFFFAOYSA-N 1 0 329.488 3.979 50 0 EHAARO CCOC(=O)[C@@H]1CCCCN1Cc1cnoc1-c1cccc(C)c1 ZINC000065288919 564104675 /nfs/dbraw/zinc/10/46/75/564104675.db2.gz OSHIMVLCRNGOLC-KRWDZBQOSA-N 1 0 328.412 3.568 50 0 EHAARO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)c1ccccc1 ZINC000065477549 564106278 /nfs/dbraw/zinc/10/62/78/564106278.db2.gz BSQMBNPNYXCCKN-HXUWFJFHSA-N 1 0 338.451 3.971 50 0 EHAARO C/C=C/C[N@H+]1CC=C(CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000065489256 564106366 /nfs/dbraw/zinc/10/63/66/564106366.db2.gz GYCFLDAGTQCGRN-NSCUHMNNSA-N 1 0 338.373 3.643 50 0 EHAARO CCCCNC(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065605001 564108111 /nfs/dbraw/zinc/10/81/11/564108111.db2.gz UAFXOAPLKKRWHD-IBGZPJMESA-N 1 0 331.504 3.873 50 0 EHAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)[C@@H](C)C2CC2)o1 ZINC000065621216 564108429 /nfs/dbraw/zinc/10/84/29/564108429.db2.gz DIBJKQJSZXCDHD-LBPRGKRZSA-N 1 0 338.411 3.930 50 0 EHAARO COc1ccccc1NC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000013325234 564111532 /nfs/dbraw/zinc/11/15/32/564111532.db2.gz ODBHLPXXAGKMJM-UHFFFAOYSA-N 1 0 325.412 3.935 50 0 EHAARO C[NH+](C)Cc1ccnc(NC(=O)C(C)(C)Oc2cccc(Cl)c2)c1 ZINC000089621007 564112768 /nfs/dbraw/zinc/11/27/68/564112768.db2.gz YETLDAVVWRDWGZ-UHFFFAOYSA-N 1 0 347.846 3.593 50 0 EHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@@H](C)C1 ZINC000076057494 564115102 /nfs/dbraw/zinc/11/51/02/564115102.db2.gz VPIOPKRUMQCFJO-WMLDXEAASA-N 1 0 330.497 3.884 50 0 EHAARO COc1cc(OC)c(OC)cc1/C=C\c1cc[n+](C)c2ccccc12 ZINC000017020401 564116130 /nfs/dbraw/zinc/11/61/30/564116130.db2.gz XHLBTVGEPJKETM-KTKRTIGZSA-N 1 0 336.411 3.861 50 0 EHAARO CC(C)Oc1ccc([C@@H](CC(=O)NCCC[NH+](C)C)C(C)C)cc1 ZINC000002091722 564117542 /nfs/dbraw/zinc/11/75/42/564117542.db2.gz IEUNAJQJGWZZRY-IBGZPJMESA-N 1 0 334.504 3.671 50 0 biogenic EHAARO Cc1ccccc1OCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027143507 564117951 /nfs/dbraw/zinc/11/79/51/564117951.db2.gz XBPNTQDZSKPMPT-UHFFFAOYSA-N 1 0 338.451 3.998 50 0 EHAARO CC(C)(C)c1ncc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000063271819 564120848 /nfs/dbraw/zinc/12/08/48/564120848.db2.gz LLFXLMARPMFXCV-UHFFFAOYSA-N 1 0 349.544 3.825 50 0 EHAARO CC(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(C)cc2C)c1 ZINC000007920547 564125417 /nfs/dbraw/zinc/12/54/17/564125417.db2.gz RFDZROCYAKFPPZ-INIZCTEOSA-N 1 0 338.451 3.965 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2NC2CCCCC2)C1 ZINC000253418109 564130855 /nfs/dbraw/zinc/13/08/55/564130855.db2.gz DZRFDDVEXCKCPB-KRWDZBQOSA-N 1 0 343.515 3.845 50 0 EHAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000093454848 564137578 /nfs/dbraw/zinc/13/75/78/564137578.db2.gz DBGUWJCIQQQSMC-QGZVFWFLSA-N 1 0 347.528 3.725 50 0 EHAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000277223224 564137990 /nfs/dbraw/zinc/13/79/90/564137990.db2.gz XXVMZQWXIBNFAZ-MRXNPFEDSA-N 1 0 345.487 3.956 50 0 EHAARO CC[C@H]1CC[C@@H](C)N1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000095458780 564140725 /nfs/dbraw/zinc/14/07/25/564140725.db2.gz MEHDWLJEVIPAEJ-SJORKVTESA-N 1 0 344.503 3.542 50 0 EHAARO COC(=O)[C@H]1CCCCC[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000095941454 564142040 /nfs/dbraw/zinc/14/20/40/564142040.db2.gz PDQMTQIEDIPERQ-UONOGXRCSA-N 1 0 334.441 3.615 50 0 EHAARO COC(=O)[C@H]1CCCCC[C@@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000095941452 564142042 /nfs/dbraw/zinc/14/20/42/564142042.db2.gz PDQMTQIEDIPERQ-KBPBESRZSA-N 1 0 334.441 3.615 50 0 EHAARO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095949448 564142333 /nfs/dbraw/zinc/14/23/33/564142333.db2.gz DHQBITVJZLAHDJ-VXGBXAGGSA-N 1 0 328.243 3.742 50 0 EHAARO CNC(=O)C1CC[NH+](Cc2ccc(-c3cccs3)cc2F)CC1 ZINC000095982364 564143757 /nfs/dbraw/zinc/14/37/57/564143757.db2.gz CUMVCNLHJIMEAR-UHFFFAOYSA-N 1 0 332.444 3.512 50 0 EHAARO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc2cc(Cl)ccc2o1 ZINC000095987835 564143986 /nfs/dbraw/zinc/14/39/86/564143986.db2.gz PLGWZWRMQMORKO-ZDUSSCGKSA-N 1 0 336.863 3.584 50 0 EHAARO CS[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000095994104 564144194 /nfs/dbraw/zinc/14/41/94/564144194.db2.gz UGFDQKVXVUIERT-SDKNFDLMSA-N 1 0 340.533 3.791 50 0 EHAARO C[C@@H](c1cccc(O)c1)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000096012987 564144784 /nfs/dbraw/zinc/14/47/84/564144784.db2.gz QOPNDUADGSDDQT-HNNXBMFYSA-N 1 0 332.488 3.670 50 0 EHAARO Cc1ccn(-c2ccccc2NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000097038713 564149270 /nfs/dbraw/zinc/14/92/70/564149270.db2.gz WXXWKFHURIRTRM-UHFFFAOYSA-N 1 0 347.466 3.652 50 0 EHAARO C[C@@H](Cc1ccsc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000097084263 564149338 /nfs/dbraw/zinc/14/93/38/564149338.db2.gz JPVIVQDGIKGOAR-AWEZNQCLSA-N 1 0 344.480 3.735 50 0 EHAARO O[C@@H](C[NH2+]Cc1ccccc1F)COc1cccc2ccccc21 ZINC000002653742 564151930 /nfs/dbraw/zinc/15/19/30/564151930.db2.gz HFTPGLHQTSXLAI-KRWDZBQOSA-N 1 0 325.383 3.508 50 0 EHAARO Cc1cccc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)c1C ZINC000057847215 564156140 /nfs/dbraw/zinc/15/61/40/564156140.db2.gz VRZXJEWMERGIID-UHFFFAOYSA-N 1 0 328.431 3.644 50 0 EHAARO C[N@H+](CC[C@H](O)c1ccccc1)Cc1cnn(-c2ccccc2F)c1 ZINC000670446178 564158707 /nfs/dbraw/zinc/15/87/07/564158707.db2.gz LNUOSNZUZBXBBO-FQEVSTJZSA-N 1 0 339.414 3.567 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccnc1SC)c1ccsc1 ZINC000031987238 564160373 /nfs/dbraw/zinc/16/03/73/564160373.db2.gz WMFHQYAEPVHNCZ-HNNXBMFYSA-N 1 0 349.525 3.678 50 0 EHAARO C[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000008391002 564165001 /nfs/dbraw/zinc/16/50/01/564165001.db2.gz YHQWRTBPBBUTIO-QGZVFWFLSA-N 1 0 337.467 3.571 50 0 EHAARO Cc1csc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000008505568 564165513 /nfs/dbraw/zinc/16/55/13/564165513.db2.gz XHQAQVNUDZRESE-UHFFFAOYSA-N 1 0 347.509 3.778 50 0 EHAARO O=C(Nc1ccccc1Cl)N1CCC(Oc2ccncc2)CC1 ZINC000245174004 564168651 /nfs/dbraw/zinc/16/86/51/564168651.db2.gz YFXCUYKTUGHDPN-UHFFFAOYSA-N 1 0 331.803 3.810 50 0 EHAARO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000245224641 564168721 /nfs/dbraw/zinc/16/87/21/564168721.db2.gz AGEQNJHVJLUIKM-CJNGLKHVSA-N 1 0 346.521 3.920 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000069772685 564172041 /nfs/dbraw/zinc/17/20/41/564172041.db2.gz BEXYYPXKGPNOHW-RBUKOAKNSA-N 1 0 349.478 3.935 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000069772681 564172060 /nfs/dbraw/zinc/17/20/60/564172060.db2.gz BEXYYPXKGPNOHW-RTBURBONSA-N 1 0 349.478 3.935 50 0 EHAARO COCc1cccc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000069775977 564172131 /nfs/dbraw/zinc/17/21/31/564172131.db2.gz VLSZESTZDOHJPZ-UHFFFAOYSA-N 1 0 338.407 3.893 50 0 EHAARO Cn1c2ccccc2nc1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000069844757 564172489 /nfs/dbraw/zinc/17/24/89/564172489.db2.gz MFVISKRKIGBYPQ-JOCHJYFZSA-N 1 0 349.478 3.561 50 0 EHAARO Cc1nccn1[C@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000070015888 564173313 /nfs/dbraw/zinc/17/33/13/564173313.db2.gz UDNZQLURCLYEHA-HNNXBMFYSA-N 1 0 329.469 3.609 50 0 EHAARO NC(=O)COc1ccc(C[NH2+]Cc2cccc(-c3ccccc3)c2)cc1 ZINC000071837031 564175810 /nfs/dbraw/zinc/17/58/10/564175810.db2.gz IRUIULHBASAZLK-UHFFFAOYSA-N 1 0 346.430 3.508 50 0 EHAARO Cc1nc(C)c([C@@H](C)[NH2+]Cc2c(C)nn(CC(C)C)c2N(C)C)s1 ZINC000071853278 564176043 /nfs/dbraw/zinc/17/60/43/564176043.db2.gz TUSWCGIRSXIJEA-CYBMUJFWSA-N 1 0 349.548 3.838 50 0 EHAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)n1 ZINC000071876106 564176261 /nfs/dbraw/zinc/17/62/61/564176261.db2.gz KBKISAXORMRQAS-QGZVFWFLSA-N 1 0 338.455 3.738 50 0 EHAARO CC(C)[C@H](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000078481015 564176991 /nfs/dbraw/zinc/17/69/91/564176991.db2.gz STBDITIWNCZQTA-OAHLLOKOSA-N 1 0 349.494 3.977 50 0 EHAARO COc1ccc(C[C@H](C)[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000106136802 564177292 /nfs/dbraw/zinc/17/72/92/564177292.db2.gz JCOZZQNWKWNBJN-HOTGVXAUSA-N 1 0 343.467 3.864 50 0 EHAARO Cc1cc(C(=O)NC2CC[NH+](C/C=C\c3ccccc3)CC2)c(C)o1 ZINC000098009416 1016820310 /nfs/dbraw/zinc/82/03/10/1016820310.db2.gz UBOKVFRTIILKLC-TWGQIWQCSA-N 1 0 338.451 3.804 50 0 EHAARO O=C(NCC1CC1)c1cccc(OC2C[NH+](C3CCCCCC3)C2)c1 ZINC000169748787 1032598645 /nfs/dbraw/zinc/59/86/45/1032598645.db2.gz NMCHZWDPPNVLFP-UHFFFAOYSA-N 1 0 342.483 3.612 50 0 EHAARO Cc1ccc2nc3sc(C(=O)NCC[NH+]4CCCC4)cc3cc2c1 ZINC000015784551 1025538550 /nfs/dbraw/zinc/53/85/50/1025538550.db2.gz YOADPMSORMNKNQ-UHFFFAOYSA-N 1 0 339.464 3.584 50 0 EHAARO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)cn1 ZINC000179446166 1034313255 /nfs/dbraw/zinc/31/32/55/1034313255.db2.gz LDQQGFVWBYZVET-NRFANRHFSA-N 1 0 348.450 3.731 50 0 EHAARO CC1CCN(C(=O)C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)CC1 ZINC000172291221 1034879306 /nfs/dbraw/zinc/87/93/06/1034879306.db2.gz IRJIJFGYWUKKJC-UHFFFAOYSA-N 1 0 340.511 3.646 50 0 EHAARO Cc1cc(C[NH2+]Cc2csc3ccccc23)nc(N2CCCC2)n1 ZINC000292826405 1036378172 /nfs/dbraw/zinc/37/81/72/1036378172.db2.gz QQUTWAOBXLZPEC-UHFFFAOYSA-N 1 0 338.480 3.890 50 0 EHAARO CC[C@@H](C)Sc1ncc(CN2CCc3[nH]nc(C(C)C)c3C2)cn1 ZINC000032541171 1037225159 /nfs/dbraw/zinc/22/51/59/1037225159.db2.gz SYOVXAUKMTWFNO-CYBMUJFWSA-N 1 0 345.516 3.772 50 0 EHAARO O=C(/C=C\c1ccco1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000096647385 1038434478 /nfs/dbraw/zinc/43/44/78/1038434478.db2.gz KURUYIHIVRALAF-LPADLIQXSA-N 1 0 344.842 3.900 50 0 EHAARO CCCNC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257194620 1038556094 /nfs/dbraw/zinc/55/60/94/1038556094.db2.gz UJWWVEXGMTVNRI-GOSISDBHSA-N 1 0 329.488 3.654 50 0 EHAARO CC1(C)CN(C(=O)CCc2cccc(OC3CCCC3)c2)CC[C@H]1[NH3+] ZINC000261673184 1039318032 /nfs/dbraw/zinc/31/80/32/1039318032.db2.gz CAHOKXSIXGFLOE-LJQANCHMSA-N 1 0 344.499 3.526 50 0 EHAARO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncnc3sccc32)CC1 ZINC000119258098 1043003642 /nfs/dbraw/zinc/00/36/42/1043003642.db2.gz JFOVHCYUWRHEMG-ZDUSSCGKSA-N 1 0 339.468 3.724 50 0 EHAARO C[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1C(F)(F)F ZINC000367979153 1127473543 /nfs/dbraw/zinc/47/35/43/1127473543.db2.gz XBDPPAVSVOPXAJ-LBPRGKRZSA-N 1 0 326.362 3.511 50 0 EHAARO COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc4c(c3)OCO4)c21 ZINC000181332257 1124761098 /nfs/dbraw/zinc/76/10/98/1124761098.db2.gz PFFCCPZULRROIX-CYBMUJFWSA-N 1 0 338.407 3.799 50 0 EHAARO O=C1CCCN1C1CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000093087660 1125183918 /nfs/dbraw/zinc/18/39/18/1125183918.db2.gz RSULMXSCMJOOLJ-UHFFFAOYSA-N 1 0 342.483 3.595 50 0 EHAARO [NH3+]C[C@@H]1CCCCN1C(=O)NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000827268025 1131369194 /nfs/dbraw/zinc/36/91/94/1131369194.db2.gz QXXNEOZIYBBKGL-HNNXBMFYSA-N 1 0 347.846 3.623 50 0 EHAARO CO[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000183071547 1131374630 /nfs/dbraw/zinc/37/46/30/1131374630.db2.gz FAPHXTFDXNUSMW-HXUWFJFHSA-N 1 0 338.451 3.999 50 0 EHAARO CCCn1ncc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)c1C ZINC000012762386 1129460141 /nfs/dbraw/zinc/46/01/41/1129460141.db2.gz FTYDIBGALGRREP-QGZVFWFLSA-N 1 0 346.519 3.519 50 0 EHAARO CC(C)Cc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)s1 ZINC000821459799 1130934708 /nfs/dbraw/zinc/93/47/08/1130934708.db2.gz GIHDOMYDANUVNH-KRWDZBQOSA-N 1 0 336.545 3.633 50 0 EHAARO COc1ccc(-n2cccn2)c(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000824629394 1131214186 /nfs/dbraw/zinc/21/41/86/1131214186.db2.gz QHHKYGXHAGEQFC-UHFFFAOYSA-N 1 0 348.450 3.656 50 0 EHAARO COc1ccc(C(=O)N2CC[C@@H](n3c(C)c[nH+]c3C3CCC3)C2)cc1 ZINC000581808193 1132371022 /nfs/dbraw/zinc/37/10/22/1132371022.db2.gz XVOYNMZILCJHMD-QGZVFWFLSA-N 1 0 339.439 3.555 50 0 EHAARO CCNC(=O)N1CCC(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000581810551 1132371714 /nfs/dbraw/zinc/37/17/14/1132371714.db2.gz ZEBFIYPBHTVQEE-UHFFFAOYSA-N 1 0 343.515 3.657 50 0 EHAARO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585083677 1136970183 /nfs/dbraw/zinc/97/01/83/1136970183.db2.gz FTIAGAFMTHTCCU-INIZCTEOSA-N 1 0 325.387 3.530 50 0 EHAARO CSC1(c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000585120313 1137012128 /nfs/dbraw/zinc/01/21/28/1137012128.db2.gz HFOFJUCEAHSKQF-HNNXBMFYSA-N 1 0 329.469 3.801 50 0 EHAARO O=C1CC[C@H]([N@@H+]2CC=C(c3ccc(F)cc3)CC2)CCN1CC1CC1 ZINC000952970030 1137483940 /nfs/dbraw/zinc/48/39/40/1137483940.db2.gz CBYZSXWBLZXERL-FQEVSTJZSA-N 1 0 342.458 3.706 50 0 EHAARO CC[C@@H](C)Oc1ccccc1CNC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000952965623 1137484094 /nfs/dbraw/zinc/48/40/94/1137484094.db2.gz FEFGIPYPMYWISR-QGZVFWFLSA-N 1 0 344.499 3.889 50 0 EHAARO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)C[C@H]1CCN(c2ccccc2)C1 ZINC000952980641 1137484729 /nfs/dbraw/zinc/48/47/29/1137484729.db2.gz DYOQEFCCVQNSJM-MRXNPFEDSA-N 1 0 326.488 3.666 50 0 EHAARO c1ccc(C[NH+]2CCC(N3CCO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000952989117 1137485857 /nfs/dbraw/zinc/48/58/57/1137485857.db2.gz CARITMOQLYPWDD-JOCHJYFZSA-N 1 0 336.479 3.725 50 0 EHAARO CN(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1cccs1 ZINC000053945848 214207847 /nfs/dbraw/zinc/20/78/47/214207847.db2.gz MSSSSGHHGIYLOC-MRXNPFEDSA-N 1 0 344.459 3.670 50 0 EHAARO COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1 ZINC000055154508 214280735 /nfs/dbraw/zinc/28/07/35/214280735.db2.gz PMDSZRWYODIVQC-OAQYLSRUSA-N 1 0 328.500 3.783 50 0 EHAARO OCCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000055167308 214282306 /nfs/dbraw/zinc/28/23/06/214282306.db2.gz APFMEMLONIXXCT-LEWJYISDSA-N 1 0 330.516 3.526 50 0 EHAARO CN(Cc1cccnc1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000055211192 214288914 /nfs/dbraw/zinc/28/89/14/214288914.db2.gz GFNOLRNQKTZTEV-HXUWFJFHSA-N 1 0 341.474 3.607 50 0 EHAARO CCOc1cc(Cl)c(C[N@@H+]2CCC[C@H]2Cn2cccn2)cc1OC ZINC000055225472 214290843 /nfs/dbraw/zinc/29/08/43/214290843.db2.gz UBEDUJGWSIRHCB-HNNXBMFYSA-N 1 0 349.862 3.608 50 0 EHAARO COc1nc(C)cc(C)c1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055245457 214295243 /nfs/dbraw/zinc/29/52/43/214295243.db2.gz CRPKEEWRRBSJQC-UHFFFAOYSA-N 1 0 340.402 3.526 50 0 EHAARO CCCCn1ncc(C)c1NC(=O)c1cc(C[NH+](CC)CC)oc1C ZINC000055269760 214298208 /nfs/dbraw/zinc/29/82/08/214298208.db2.gz QGEFHGIQNZSWFM-UHFFFAOYSA-N 1 0 346.475 3.987 50 0 EHAARO CCc1oc(C(=O)N(C)[C@@H](C)c2ccon2)cc1C[NH+](CC)CC ZINC000055269810 214298248 /nfs/dbraw/zinc/29/82/48/214298248.db2.gz IBWMTFSYSQRBCS-ZDUSSCGKSA-N 1 0 333.432 3.505 50 0 EHAARO CCn1nc(C)c(C[N@H+](CC)Cc2cccc3nsnc32)c1C ZINC000055414893 214322586 /nfs/dbraw/zinc/32/25/86/214322586.db2.gz KMOVMSUQRUIRRT-UHFFFAOYSA-N 1 0 329.473 3.547 50 0 EHAARO CCOC(=O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000004678815 210245153 /nfs/dbraw/zinc/24/51/53/210245153.db2.gz UVQYPWCZTYPHMC-UHFFFAOYSA-N 1 0 347.846 3.505 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2OC)N3)C1 ZINC000004556149 210220663 /nfs/dbraw/zinc/22/06/63/210220663.db2.gz QYQZKCVGUONAKH-INIZCTEOSA-N 1 0 343.452 3.564 50 0 EHAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccco2)N3)C1 ZINC000004554039 210220399 /nfs/dbraw/zinc/22/03/99/210220399.db2.gz FRQYQOYDXZSDJY-LLYBFZRZSA-N 1 0 343.452 3.877 50 0 EHAARO CCC[NH2+][C@H](CC)c1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000004421505 210191064 /nfs/dbraw/zinc/19/10/64/210191064.db2.gz XSYGKKPPIRIJHA-GOSISDBHSA-N 1 0 335.451 3.896 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2o1 ZINC000064968376 214817277 /nfs/dbraw/zinc/81/72/77/214817277.db2.gz ZNPPQVGPJFZBHL-OAHLLOKOSA-N 1 0 343.471 3.803 50 0 EHAARO CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@H](C)c1ccccc1 ZINC000003349376 210015696 /nfs/dbraw/zinc/01/56/96/210015696.db2.gz IXCXLGDLLRCSKO-PKOBYXMFSA-N 1 0 327.468 3.943 50 0 EHAARO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3cccnc3)C3CC3)cc2c1 ZINC000067434185 215145096 /nfs/dbraw/zinc/14/50/96/215145096.db2.gz QRVOIWVSUMHQHI-UHFFFAOYSA-N 1 0 333.435 3.705 50 0 EHAARO CC(C)c1cc(NC(=O)c2cccc(C[N@H+]3CC=CCC3)c2)n(C)n1 ZINC000067771576 215208151 /nfs/dbraw/zinc/20/81/51/215208151.db2.gz RIDGQPZEMMMJSY-UHFFFAOYSA-N 1 0 338.455 3.558 50 0 EHAARO CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCC[NH+](C)C ZINC000001912408 209804714 /nfs/dbraw/zinc/80/47/14/209804714.db2.gz JGQQBLDEWOBIGQ-UHFFFAOYSA-N 1 0 349.862 3.737 50 0 EHAARO COc1ccccc1[C@H](CNc1ccc(C(F)(F)F)cn1)[NH+](C)C ZINC000040160628 213277564 /nfs/dbraw/zinc/27/75/64/213277564.db2.gz VWPITFBZQICNHC-AWEZNQCLSA-N 1 0 339.361 3.824 50 0 EHAARO Cc1ccccc1SCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040160834 213277115 /nfs/dbraw/zinc/27/71/15/213277115.db2.gz GCSZSIZULVWKEW-CQSZACIVSA-N 1 0 334.510 3.568 50 0 EHAARO C[C@H](SCc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040140905 213272168 /nfs/dbraw/zinc/27/21/68/213272168.db2.gz FJNOKWXBFULCMC-GOEBONIOSA-N 1 0 348.537 3.789 50 0 EHAARO O=C(CC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)Nc1ccccc1 ZINC000040086098 213259211 /nfs/dbraw/zinc/25/92/11/213259211.db2.gz JENPBUFBOQEJCN-JOCHJYFZSA-N 1 0 345.446 3.922 50 0 EHAARO C[NH+]1CCC(N(Cc2ccccc2F)C(=O)c2ccsc2)CC1 ZINC000069774122 215572834 /nfs/dbraw/zinc/57/28/34/215572834.db2.gz ISDKYIZSIMAGAD-UHFFFAOYSA-N 1 0 332.444 3.624 50 0 EHAARO C[NH+](C)CC1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000069845931 215604143 /nfs/dbraw/zinc/60/41/43/215604143.db2.gz KTNDRGNSHGHELU-UHFFFAOYSA-N 1 0 346.471 3.968 50 0 EHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3ccccc3F)c2)CC1 ZINC000037279097 213137631 /nfs/dbraw/zinc/13/76/31/213137631.db2.gz DRHFNKMJRUUPGU-UHFFFAOYSA-N 1 0 342.414 3.663 50 0 EHAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000070009445 215660915 /nfs/dbraw/zinc/66/09/15/215660915.db2.gz KZAZJMZCJUEOIO-YJBOKZPZSA-N 1 0 341.455 3.713 50 0 EHAARO Brc1cc(Br)c[n+](CCc2ccccc2)c1 ZINC000036381198 213092620 /nfs/dbraw/zinc/09/26/20/213092620.db2.gz MRXWSIGLXNUTIQ-UHFFFAOYSA-N 1 0 342.054 3.742 50 0 EHAARO CCC[N@@H+](Cc1ccccc1C)C[C@H](O)COc1ccc(OC)cc1 ZINC000036099968 213065723 /nfs/dbraw/zinc/06/57/23/213065723.db2.gz IBXAYBRJJXUPCL-IBGZPJMESA-N 1 0 343.467 3.656 50 0 EHAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2)C2CC2)c(C)c1 ZINC000036098943 213065509 /nfs/dbraw/zinc/06/55/09/213065509.db2.gz IXKVFYLLLAFLSO-FQEVSTJZSA-N 1 0 325.452 3.708 50 0 EHAARO CCC[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COc1ccccc1C ZINC000036099742 213065365 /nfs/dbraw/zinc/06/53/65/213065365.db2.gz STWKMOINMIFHTQ-SFHVURJKSA-N 1 0 349.421 3.925 50 0 EHAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1 ZINC000036031095 213056527 /nfs/dbraw/zinc/05/65/27/213056527.db2.gz HBBNZMBEYKKMQS-FQEVSTJZSA-N 1 0 327.468 3.955 50 0 EHAARO CC[NH+](CC)CCCNC(=O)c1cc(C)nc2c(C)cc(C)cc12 ZINC000033252853 212909945 /nfs/dbraw/zinc/90/99/45/212909945.db2.gz KINHFJOFCALQGJ-UHFFFAOYSA-N 1 0 327.472 3.622 50 0 EHAARO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@H]([NH3+])C1 ZINC000032629359 212821001 /nfs/dbraw/zinc/82/10/01/212821001.db2.gz RTJJYHPRGIOAQC-ZIAGYGMSSA-N 1 0 344.377 3.757 50 0 EHAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC2(CC1)c1ccccc1NC2=O ZINC000072135444 216023162 /nfs/dbraw/zinc/02/31/62/216023162.db2.gz CJBBYRBULMQOMY-UHFFFAOYSA-N 1 0 345.446 3.962 50 0 EHAARO CC(C)c1cc(N2CCC([C@@H](C)[NH+]3CCCC3)CC2)n2nccc2n1 ZINC000072143964 216029346 /nfs/dbraw/zinc/02/93/46/216029346.db2.gz OLFHRBPOILMWGG-MRXNPFEDSA-N 1 0 341.503 3.553 50 0 EHAARO c1[nH]c2ccccc2c1-c1nc2c(c(N3CCCCCCC3)n1)C[NH2+]C2 ZINC000072147462 216035120 /nfs/dbraw/zinc/03/51/20/216035120.db2.gz UVIIAURMSHGUKU-UHFFFAOYSA-N 1 0 347.466 3.999 50 0 EHAARO CC(=O)c1ccc(F)cc1-c1cc(NCC[NH+](C)C)nc2[nH]ccc21 ZINC000072162024 216050406 /nfs/dbraw/zinc/05/04/06/216050406.db2.gz KRUGBQUDYARLSZ-UHFFFAOYSA-N 1 0 340.402 3.545 50 0 EHAARO NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000072158907 216048301 /nfs/dbraw/zinc/04/83/01/216048301.db2.gz JRBIOCDECAORMW-HNNXBMFYSA-N 1 0 328.481 3.893 50 0 EHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCc3ccccc3C)C2)o1 ZINC000072159291 216049251 /nfs/dbraw/zinc/04/92/51/216049251.db2.gz QTNGYIXBYGVTRO-QGZVFWFLSA-N 1 0 340.467 3.792 50 0 EHAARO Cn1c(C(=O)N2CCCC[C@H]2CC[NH+](C)C)ccc1-c1ccccc1 ZINC000072462896 216245877 /nfs/dbraw/zinc/24/58/77/216245877.db2.gz WDEFKTPVORKGMI-SFHVURJKSA-N 1 0 339.483 3.639 50 0 EHAARO Cc1ccccc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128044 212352699 /nfs/dbraw/zinc/35/26/99/212352699.db2.gz CVQFDEJDNFCVFT-UHFFFAOYSA-N 1 0 328.481 3.699 50 0 EHAARO Cc1cccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000023128078 212351680 /nfs/dbraw/zinc/35/16/80/212351680.db2.gz JSLMQUIWTLRWCT-UHFFFAOYSA-N 1 0 328.481 3.699 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1cccs1)c1cccc(OC)c1 ZINC000022700534 212318808 /nfs/dbraw/zinc/31/88/08/212318808.db2.gz FYMNWUDDVUDTJA-MRXNPFEDSA-N 1 0 332.469 3.570 50 0 EHAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cccc(OCc2ccccc2)c1 ZINC000022078360 212276177 /nfs/dbraw/zinc/27/61/77/212276177.db2.gz WDSDWHQNSMKURR-PGRDOPGGSA-N 1 0 336.479 3.934 50 0 EHAARO OCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000215925159 241158117 /nfs/dbraw/zinc/15/81/17/241158117.db2.gz LMJOIFNOYTWIBQ-FQEVSTJZSA-N 1 0 329.415 3.924 50 0 EHAARO Cc1cc(C)nc(CN(C)Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000216444498 241193173 /nfs/dbraw/zinc/19/31/73/241193173.db2.gz NYSFWBLUBQNGAM-UHFFFAOYSA-N 1 0 329.513 3.988 50 0 EHAARO CCn1ccc2cc(CN3CC[NH+](C4CCSCC4)CC3)ccc21 ZINC000215634381 241137065 /nfs/dbraw/zinc/13/70/65/241137065.db2.gz DTEFDLNBLVNWNS-UHFFFAOYSA-N 1 0 343.540 3.674 50 0 EHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1OC ZINC000021720896 212244808 /nfs/dbraw/zinc/24/48/08/212244808.db2.gz ONXZZGDACJRALW-HNNXBMFYSA-N 1 0 330.428 3.900 50 0 EHAARO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CCCc3ccccc3C2)C1 ZINC000225770503 242028302 /nfs/dbraw/zinc/02/83/02/242028302.db2.gz LZPUVCVYPYOPEU-SFHVURJKSA-N 1 0 334.463 3.597 50 0 EHAARO O=C(CC[N@@H+]1CCO[C@@H]2CCC[C@H]21)Nc1c(Cl)cccc1Cl ZINC000230082126 242226414 /nfs/dbraw/zinc/22/64/14/242226414.db2.gz QBNJXXSBQIQISL-ZIAGYGMSSA-N 1 0 343.254 3.575 50 0 EHAARO O=C(CCSCc1ccccc1)NCC1([NH+]2CCCC2)CCCC1 ZINC000243885824 243026618 /nfs/dbraw/zinc/02/66/18/243026618.db2.gz ACPLFSJWAMIVEC-UHFFFAOYSA-N 1 0 346.540 3.835 50 0 EHAARO Cc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCO2)cc1Cl ZINC000244872866 243088898 /nfs/dbraw/zinc/08/88/98/243088898.db2.gz WFSWBWWMFLGSLX-INIZCTEOSA-N 1 0 338.879 3.868 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)c(F)c1)[NH2+]CC2 ZINC000020506878 212141535 /nfs/dbraw/zinc/14/15/35/212141535.db2.gz BDXKQRAPKDTURW-LJQANCHMSA-N 1 0 333.378 3.997 50 0 EHAARO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCSCC3)ccc2c1 ZINC000020256129 212114751 /nfs/dbraw/zinc/11/47/51/212114751.db2.gz BDAKNRFXHBYFLQ-UHFFFAOYSA-N 1 0 339.464 3.787 50 0 EHAARO Cc1ccccc1-c1c[nH]nc1C1CC[NH+](Cc2cccnc2N)CC1 ZINC000077388342 216891060 /nfs/dbraw/zinc/89/10/60/216891060.db2.gz URXNRMPOMRYBPE-UHFFFAOYSA-N 1 0 347.466 3.742 50 0 EHAARO CCOc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000019850833 212076607 /nfs/dbraw/zinc/07/66/07/212076607.db2.gz QGDLKVOWJFPCBS-UHFFFAOYSA-N 1 0 338.495 3.836 50 0 EHAARO Fc1ccccc1OC1CC[NH+](CCn2ncc3ccccc32)CC1 ZINC000019228456 212007718 /nfs/dbraw/zinc/00/77/18/212007718.db2.gz AHYSYDAYFWXADZ-UHFFFAOYSA-N 1 0 339.414 3.719 50 0 EHAARO C[C@H](CCc1ccccc1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082137579 217475677 /nfs/dbraw/zinc/47/56/77/217475677.db2.gz XSCGFJYGFKKPLN-QGZVFWFLSA-N 1 0 349.478 3.907 50 0 EHAARO Cc1ccc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)cc1C ZINC000012701561 211435185 /nfs/dbraw/zinc/43/51/85/211435185.db2.gz HHYYPTGYAVMHFP-VCOUNFBDSA-N 1 0 338.495 3.984 50 0 EHAARO CC(C)[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000012442768 211382959 /nfs/dbraw/zinc/38/29/59/211382959.db2.gz ZNMKAIWJOPJJSF-UHFFFAOYSA-N 1 0 329.271 3.844 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948886 217894077 /nfs/dbraw/zinc/89/40/77/217894077.db2.gz QAIKWBOVMKUEQL-YOEHRIQHSA-N 1 0 340.870 3.852 50 0 EHAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1C[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000012280755 211333871 /nfs/dbraw/zinc/33/38/71/211333871.db2.gz UQVRBEAGRHMJEP-UKBAYJJMSA-N 1 0 342.458 3.509 50 0 EHAARO Cc1cccnc1N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012198931 211318225 /nfs/dbraw/zinc/31/82/25/211318225.db2.gz QUFRQGMVVLRNAL-HXUWFJFHSA-N 1 0 336.483 3.524 50 0 EHAARO C[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000012223511 211324912 /nfs/dbraw/zinc/32/49/12/211324912.db2.gz PRCNTEPSPZRYIO-ZDUSSCGKSA-N 1 0 343.393 3.947 50 0 EHAARO CCn1ncc(C[N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1C ZINC000012208013 211321054 /nfs/dbraw/zinc/32/10/54/211321054.db2.gz ROWBJQWQWDSWPC-FQEVSTJZSA-N 1 0 326.488 3.905 50 0 EHAARO CCn1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1C ZINC000012208006 211320961 /nfs/dbraw/zinc/32/09/61/211320961.db2.gz ROWBJQWQWDSWPC-HXUWFJFHSA-N 1 0 326.488 3.905 50 0 EHAARO CC(C)N1CC2(CCC1=O)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000091462065 218010432 /nfs/dbraw/zinc/01/04/32/218010432.db2.gz FMQUBTREZQWANL-UHFFFAOYSA-N 1 0 334.891 3.953 50 0 EHAARO O=C1CCC2(CC[NH2+]CC2)CN1[C@H](Cc1ccccc1)c1ccccc1 ZINC000091468283 218010841 /nfs/dbraw/zinc/01/08/41/218010841.db2.gz DRUZGHVFICLHQB-OAQYLSRUSA-N 1 0 348.490 3.963 50 0 EHAARO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000011878313 211262272 /nfs/dbraw/zinc/26/22/72/211262272.db2.gz OBPJPCDJIBOEPF-FQEVSTJZSA-N 1 0 330.472 3.788 50 0 EHAARO CC(C)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2F)C[C@H]1[NH+](C)C ZINC000091694454 218049507 /nfs/dbraw/zinc/04/95/07/218049507.db2.gz OBENSQVLRXKSDI-GOEBONIOSA-N 1 0 332.385 3.863 50 0 EHAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000011759326 211244441 /nfs/dbraw/zinc/24/44/41/211244441.db2.gz RDDKLMMJIFLMRD-JLVIMGNISA-N 1 0 334.463 3.823 50 0 EHAARO CCc1ccccc1OCC[N@H+]1CCC[C@@H](c2nccn2CC)C1 ZINC000091665710 218044646 /nfs/dbraw/zinc/04/46/46/218044646.db2.gz NTVAUJIFQUJHGR-GOSISDBHSA-N 1 0 327.472 3.724 50 0 EHAARO CC[N@H+](C)C1(CNC(=O)C[C@@H]2CCc3ccccc32)CCCCC1 ZINC000091914763 218087762 /nfs/dbraw/zinc/08/77/62/218087762.db2.gz LTNKHEQFUMSYLW-SFHVURJKSA-N 1 0 328.500 3.877 50 0 EHAARO CC(C)=CC[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091986449 218099447 /nfs/dbraw/zinc/09/94/47/218099447.db2.gz SPEOMECKBVHTMS-UHFFFAOYSA-N 1 0 326.484 3.857 50 0 EHAARO CCn1nc(C)c(C[NH+]2CCC(Nc3cccc(OC)c3)CC2)c1C ZINC000093342284 218216793 /nfs/dbraw/zinc/21/67/93/218216793.db2.gz SWQABJVNNIYSEI-UHFFFAOYSA-N 1 0 342.487 3.605 50 0 EHAARO c1cn(Cc2cscn2)c([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000095390223 218321331 /nfs/dbraw/zinc/32/13/31/218321331.db2.gz BWGPCSCLJZQKSL-KRWDZBQOSA-N 1 0 338.480 3.768 50 0 EHAARO COc1cc(C[NH2+][C@H]2CCc3ccc(C)cc32)cc(OC)c1OC ZINC000095389624 218321796 /nfs/dbraw/zinc/32/17/96/218321796.db2.gz HOCHKFCBCWZGTR-KRWDZBQOSA-N 1 0 327.424 3.798 50 0 EHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000008862581 211012590 /nfs/dbraw/zinc/01/25/90/211012590.db2.gz LXCJTFOPKJNHOV-INIZCTEOSA-N 1 0 334.872 3.968 50 0 EHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1ccccc1Cl ZINC000008862576 211012162 /nfs/dbraw/zinc/01/21/62/211012162.db2.gz WRCGSQKZLVQXPN-MRXNPFEDSA-N 1 0 334.872 3.968 50 0 EHAARO O=C(CCc1ccccc1)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008862544 211012200 /nfs/dbraw/zinc/01/22/00/211012200.db2.gz NLDRLTOQSBHOCR-GOSISDBHSA-N 1 0 328.481 3.634 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2SC)C1 ZINC000095407650 218344119 /nfs/dbraw/zinc/34/41/19/218344119.db2.gz SLEVXRAMALQQJX-LBPRGKRZSA-N 1 0 341.908 3.867 50 0 EHAARO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1)c1cnccn1 ZINC000095419244 218359572 /nfs/dbraw/zinc/35/95/72/218359572.db2.gz FUFZRUMWBGZAGW-WBVHZDCISA-N 1 0 330.501 3.662 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)c1 ZINC000095420953 218361332 /nfs/dbraw/zinc/36/13/32/218361332.db2.gz MCXQEQAVRXWSQF-ZDUSSCGKSA-N 1 0 348.393 3.807 50 0 EHAARO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000095420836 218362383 /nfs/dbraw/zinc/36/23/83/218362383.db2.gz PGBRCZAAHXPXAA-KSSFIOAISA-N 1 0 344.480 3.586 50 0 EHAARO O=C1CCCCN1CCCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095421280 218362973 /nfs/dbraw/zinc/36/29/73/218362973.db2.gz YNFKZBGXVYLMPA-GOSISDBHSA-N 1 0 342.483 3.815 50 0 EHAARO COc1ccc([C@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000095421793 218364447 /nfs/dbraw/zinc/36/44/47/218364447.db2.gz FTJRDCXACYXIDD-AWEZNQCLSA-N 1 0 342.439 3.556 50 0 EHAARO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccnc(OCC3CC3)c1)CCC2 ZINC000095422231 218364886 /nfs/dbraw/zinc/36/48/86/218364886.db2.gz QUAIJIFLDFQATA-OAHLLOKOSA-N 1 0 329.469 3.803 50 0 EHAARO CN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000096162297 218638673 /nfs/dbraw/zinc/63/86/73/218638673.db2.gz SXMRYTXYTJRQRS-UHFFFAOYSA-N 1 0 341.402 3.628 50 0 EHAARO C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)c1ccc(Br)cc1 ZINC000005573637 210492403 /nfs/dbraw/zinc/49/24/03/210492403.db2.gz CCHWTPPGNSQTRC-UKRRQHHQSA-N 1 0 340.261 3.726 50 0 EHAARO C[C@H](C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000005045778 210372691 /nfs/dbraw/zinc/37/26/91/210372691.db2.gz POCKRBZBJVJKGH-ZWKOTPCHSA-N 1 0 328.500 3.761 50 0 EHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccccc1C ZINC000005019359 210363621 /nfs/dbraw/zinc/36/36/21/210363621.db2.gz OJUANOLFTSFWMX-IBGZPJMESA-N 1 0 341.451 3.851 50 0 EHAARO O=C(CN1CCC(c2nc3ccccc3s2)CC1)NC1CCCC1 ZINC000004966604 210342609 /nfs/dbraw/zinc/34/26/09/210342609.db2.gz VQVPPDYZNDNVBB-UHFFFAOYSA-N 1 0 343.496 3.535 50 0 EHAARO Cc1n[nH]cc1C[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000097230203 219000575 /nfs/dbraw/zinc/00/05/75/219000575.db2.gz GQTCKXYUQHUJRX-UHFFFAOYSA-N 1 0 337.471 3.550 50 0 EHAARO COCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)o1 ZINC000097327213 219013123 /nfs/dbraw/zinc/01/31/23/219013123.db2.gz ONNQSEZQYGWELS-HNNXBMFYSA-N 1 0 342.439 3.910 50 0 EHAARO COC(C)(C)C[C@H](C)[N@@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097436754 219024811 /nfs/dbraw/zinc/02/48/11/219024811.db2.gz YQMVUIDSIGHONG-LBPRGKRZSA-N 1 0 349.425 3.917 50 0 EHAARO O[C@@](c1ccccc1)(c1ccccc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000004826535 210289156 /nfs/dbraw/zinc/28/91/56/210289156.db2.gz AZEBCQMVERBYRZ-ICSRJNTNSA-N 1 0 327.855 3.918 50 0 EHAARO Clc1ccccc1COc1cccc(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000097492380 219029507 /nfs/dbraw/zinc/02/95/07/219029507.db2.gz SCOQHTHPMRQENO-UHFFFAOYSA-N 1 0 339.826 3.955 50 0 EHAARO COc1ccc(CN(C)Cc2c(C)noc2C)cc1C[NH+]1CCCC1 ZINC000097505643 219031565 /nfs/dbraw/zinc/03/15/65/219031565.db2.gz JBIAJCORDLKFNQ-UHFFFAOYSA-N 1 0 343.471 3.528 50 0 EHAARO O=C(Cc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004749544 210269256 /nfs/dbraw/zinc/26/92/56/210269256.db2.gz SERNJZOXKXTXDK-UHFFFAOYSA-N 1 0 342.870 3.663 50 0 EHAARO C[C@@H](c1ccc(-c2ccc(OCC(N)=O)cc2)cc1)[NH+]1CCCCC1 ZINC000426537369 257964086 /nfs/dbraw/zinc/96/40/86/257964086.db2.gz ARNZOQIQOYMGSW-INIZCTEOSA-N 1 0 338.451 3.765 50 0 EHAARO CCc1noc([C@@H](C)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000328593555 258043583 /nfs/dbraw/zinc/04/35/83/258043583.db2.gz IHIJGEMPXNATMJ-HUUCEWRRSA-N 1 0 348.516 3.517 50 0 EHAARO COc1ccccc1CCc1nc2ccccc2n1C1CC[NH2+]CC1 ZINC000299777194 258087424 /nfs/dbraw/zinc/08/74/24/258087424.db2.gz JWIAFRLRXOAILV-UHFFFAOYSA-N 1 0 335.451 3.755 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)Nc1cccnc1 ZINC000299784083 258091767 /nfs/dbraw/zinc/09/17/67/258091767.db2.gz IPKKISBILPNUSJ-IBGZPJMESA-N 1 0 338.455 3.820 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(-c3ccco3)cc2)C1 ZINC000299790830 258096790 /nfs/dbraw/zinc/09/67/90/258096790.db2.gz BTPLQSBXZJEPQR-KRWDZBQOSA-N 1 0 327.428 3.895 50 0 EHAARO CN(C(=O)CC1CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000299793764 258098423 /nfs/dbraw/zinc/09/84/23/258098423.db2.gz IHEVLCAUHVHPCI-UHFFFAOYSA-N 1 0 346.540 3.643 50 0 EHAARO CNC(=O)c1ccc(C[N@H+](Cc2cccc3cccnc32)C2CC2)cc1 ZINC000025195915 258057678 /nfs/dbraw/zinc/05/76/78/258057678.db2.gz MVVISNHDRVZDAK-UHFFFAOYSA-N 1 0 345.446 3.759 50 0 EHAARO OCCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)cc1 ZINC000215986637 258072362 /nfs/dbraw/zinc/07/23/62/258072362.db2.gz SSMSSYDSQBAULI-INIZCTEOSA-N 1 0 331.843 3.701 50 0 EHAARO CC[N@@H+]1CCC[C@@]2(CCCN(C(=O)c3ccc(C)n3C(F)F)C2)C1 ZINC000299757575 258075275 /nfs/dbraw/zinc/07/52/75/258075275.db2.gz KFLZKXJJGVIDCL-GOSISDBHSA-N 1 0 339.430 3.530 50 0 EHAARO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)CCS2 ZINC000191527075 533300127 /nfs/dbraw/zinc/30/01/27/533300127.db2.gz DUMWDXLEKLVEEM-MAZHCROVSA-N 1 0 333.453 3.927 50 0 EHAARO O=C(/C=C\c1cccs1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000096646004 518198092 /nfs/dbraw/zinc/19/80/92/518198092.db2.gz XQSDAPGYYMOBIY-HLRDLLSLSA-N 1 0 330.453 3.698 50 0 EHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1C ZINC000036100590 521685151 /nfs/dbraw/zinc/68/51/51/521685151.db2.gz HLCCWTUDUHSESG-FQEVSTJZSA-N 1 0 327.468 3.955 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(/C)c2ccccc2C(F)(F)F)C1 ZINC000158983748 522041452 /nfs/dbraw/zinc/04/14/52/522041452.db2.gz VNXOHRHSOMRESC-ZVHGMHCTSA-N 1 0 340.389 3.567 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000107058442 564026779 /nfs/dbraw/zinc/02/67/79/564026779.db2.gz FJJRPJUFZWEZTG-OZVIIMIRSA-N 1 0 326.843 3.777 50 0 EHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(F)c1 ZINC000000350683 563289436 /nfs/dbraw/zinc/28/94/36/563289436.db2.gz IGFRMDMTZOXULA-IBGZPJMESA-N 1 0 341.430 3.734 50 0 EHAARO C[C@H](CS(=O)(=O)c1ccc2ccccc2c1)[NH+]1CCCCCC1 ZINC000000818903 563364492 /nfs/dbraw/zinc/36/44/92/563364492.db2.gz BAWJYYKAXLBQTP-MRXNPFEDSA-N 1 0 331.481 3.878 50 0 EHAARO CCOC(=O)c1ccccc1C(=O)c1ccccc1C[NH+]1CCCC1 ZINC000002515551 563437185 /nfs/dbraw/zinc/43/71/85/563437185.db2.gz UAXYGDPHDBWVGN-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000006455763 563568463 /nfs/dbraw/zinc/56/84/63/563568463.db2.gz WQSJKFDKTGKSBV-PXNSSMCTSA-N 1 0 325.452 3.825 50 0 EHAARO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OC ZINC000006701576 563579722 /nfs/dbraw/zinc/57/97/22/563579722.db2.gz UWMWXEWMGUOECD-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO O=C(Nc1ccccc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006728871 563583161 /nfs/dbraw/zinc/58/31/61/563583161.db2.gz RXFMSMWJWJRBTJ-UHFFFAOYSA-N 1 0 327.403 3.612 50 0 EHAARO COc1ccccc1CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006729303 563583416 /nfs/dbraw/zinc/58/34/16/563583416.db2.gz GFCWFHSROUHLQU-UHFFFAOYSA-N 1 0 338.451 3.862 50 0 EHAARO Cc1ccc(C[NH2+]Cc2ccc(OCC(=O)NC(C)(C)C)cc2)cc1 ZINC000007538002 563605142 /nfs/dbraw/zinc/60/51/42/563605142.db2.gz YTOSXKGXDURRKC-UHFFFAOYSA-N 1 0 340.467 3.578 50 0 EHAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012575577 563663513 /nfs/dbraw/zinc/66/35/13/563663513.db2.gz NNVICDMGILPLAX-SFHVURJKSA-N 1 0 342.414 3.673 50 0 EHAARO CCC(C)(C)[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717777 563715644 /nfs/dbraw/zinc/71/56/44/563715644.db2.gz GQCDQBGLYOYNOV-UHFFFAOYSA-N 1 0 337.427 3.733 50 0 EHAARO CCn1c2ccccc2c2cc(C[NH2+]CCCN3CCCC3=O)ccc21 ZINC000013727853 563719170 /nfs/dbraw/zinc/71/91/70/563719170.db2.gz PHHSLCISXFKZAK-UHFFFAOYSA-N 1 0 349.478 3.917 50 0 EHAARO CC(C)C[N@@H+]1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014993491 563770853 /nfs/dbraw/zinc/77/08/53/563770853.db2.gz VPCYTSWLRFLBDO-QGZVFWFLSA-N 1 0 344.528 3.943 50 0 EHAARO COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)cc1 ZINC000015581958 563787537 /nfs/dbraw/zinc/78/75/37/563787537.db2.gz HTGFGOCLMPKPEQ-UHFFFAOYSA-N 1 0 335.451 3.847 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCC2)o1 ZINC000015860168 563796633 /nfs/dbraw/zinc/79/66/33/563796633.db2.gz HFODFEHJDJAGCL-KRWDZBQOSA-N 1 0 330.403 3.684 50 0 EHAARO C[C@@H]1Cc2ccccc2N1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043127290 563845832 /nfs/dbraw/zinc/84/58/32/563845832.db2.gz KLELMSCHWVUGCS-CJNGLKHVSA-N 1 0 329.469 3.512 50 0 EHAARO C[C@@H](c1cccs1)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167011 563856623 /nfs/dbraw/zinc/85/66/23/563856623.db2.gz BOTLDFFQHMDJME-LSDHHAIUSA-N 1 0 347.484 3.881 50 0 EHAARO CC[NH+]1CCC(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000043292036 563861908 /nfs/dbraw/zinc/86/19/08/563861908.db2.gz LNLVIMXCAPPQCG-CQSZACIVSA-N 1 0 329.444 3.620 50 0 EHAARO COc1ccccc1NC(=O)C[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000024673161 563874119 /nfs/dbraw/zinc/87/41/19/563874119.db2.gz MNMVRQWJQGIYBK-MRXNPFEDSA-N 1 0 338.451 3.934 50 0 EHAARO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000025229083 563882333 /nfs/dbraw/zinc/88/23/33/563882333.db2.gz DINOAOFUBPAGPQ-SJLPKXTDSA-N 1 0 345.464 3.528 50 0 EHAARO Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025328857 563883220 /nfs/dbraw/zinc/88/32/20/563883220.db2.gz DGONOGYJWZTMBV-HNNXBMFYSA-N 1 0 328.437 3.835 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2s1)c1ccsc1 ZINC000025330746 563883632 /nfs/dbraw/zinc/88/36/32/563883632.db2.gz QPRJNSZSNFARNT-AWEZNQCLSA-N 1 0 330.478 3.996 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2s1)c1ccsc1 ZINC000025330747 563883743 /nfs/dbraw/zinc/88/37/43/563883743.db2.gz QPRJNSZSNFARNT-CQSZACIVSA-N 1 0 330.478 3.996 50 0 EHAARO CCOc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027581334 563896815 /nfs/dbraw/zinc/89/68/15/563896815.db2.gz PEQMLNBCJXYRRG-MRXNPFEDSA-N 1 0 344.480 3.714 50 0 EHAARO Clc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1Cl ZINC000030633943 563910138 /nfs/dbraw/zinc/91/01/38/563910138.db2.gz JMKMYSPGCCPNGF-UHFFFAOYSA-N 1 0 347.249 3.923 50 0 EHAARO Cc1cc(C(=O)NCCC[NH+]2CCCCCC2)c2cccc(C)c2n1 ZINC000032961548 563916796 /nfs/dbraw/zinc/91/67/96/563916796.db2.gz RAKXAJTUNQNQDM-UHFFFAOYSA-N 1 0 339.483 3.848 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)CCSc1ccccc1)c1ccccc1 ZINC000033028954 563931661 /nfs/dbraw/zinc/93/16/61/563931661.db2.gz JRORZVIVARWOPW-GOSISDBHSA-N 1 0 328.481 3.588 50 0 EHAARO Cc1oc(C)c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1C ZINC000058322881 563942406 /nfs/dbraw/zinc/94/24/06/563942406.db2.gz KHDCTCURRPBOSJ-UHFFFAOYSA-N 1 0 346.496 3.908 50 0 EHAARO Cc1cccc2cc(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)oc21 ZINC000058393320 563944725 /nfs/dbraw/zinc/94/47/25/563944725.db2.gz VUDCKOSECNTMHF-OAHLLOKOSA-N 1 0 328.456 3.983 50 0 EHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)CSc1nc2ccccc2o1 ZINC000058430751 563946236 /nfs/dbraw/zinc/94/62/36/563946236.db2.gz LIHNQPHPKDSZTJ-AWEZNQCLSA-N 1 0 349.500 3.547 50 0 EHAARO C[C@H](c1ccc(-c2ccc3sc(N)nc3c2)cc1)[NH+]1CCOCC1 ZINC000065491878 563961517 /nfs/dbraw/zinc/96/15/17/563961517.db2.gz HAIWZZQJZKZOHC-CYBMUJFWSA-N 1 0 339.464 3.939 50 0 EHAARO CC[C@@H](C(=O)Nc1cccc(NC(=O)c2ccccc2)c1C)[NH+](C)C ZINC000156968000 563962201 /nfs/dbraw/zinc/96/22/01/563962201.db2.gz FEEFADCNUTXVSB-SFHVURJKSA-N 1 0 339.439 3.526 50 0 EHAARO CCc1cnc(NCc2cccnc2N2CCCCCCC2)nc1 ZINC000067587134 563962345 /nfs/dbraw/zinc/96/23/45/563962345.db2.gz IAFVWBRBGKQZPJ-UHFFFAOYSA-N 1 0 325.460 3.817 50 0 EHAARO CCCn1cc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(C)n1 ZINC000071758888 563965328 /nfs/dbraw/zinc/96/53/28/563965328.db2.gz PNGREFOBYFOWMG-FQEVSTJZSA-N 1 0 332.536 3.544 50 0 EHAARO CC(C)[C@H]1CN(C(=O)C2(C)CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071761437 563965358 /nfs/dbraw/zinc/96/53/58/563965358.db2.gz JCAMVDSJDJLXQI-GOSISDBHSA-N 1 0 332.463 3.685 50 0 EHAARO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCC[N@@H+]1CC1CC1 ZINC000071761066 563965367 /nfs/dbraw/zinc/96/53/67/563965367.db2.gz XRPFKSOUPPZAFJ-HXUWFJFHSA-N 1 0 339.483 3.750 50 0 EHAARO Cc1cccc(CN2CCC([NH2+][C@@H](C)c3cnc(C)nc3C)CC2)c1 ZINC000097016542 563966693 /nfs/dbraw/zinc/96/66/93/563966693.db2.gz CIKVDICTDNEJSQ-KRWDZBQOSA-N 1 0 338.499 3.717 50 0 EHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077357601 563969189 /nfs/dbraw/zinc/96/91/89/563969189.db2.gz BXAQUBPULRURCR-QGZVFWFLSA-N 1 0 329.492 3.657 50 0 EHAARO FC(F)(F)c1cccc(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000077505071 563970064 /nfs/dbraw/zinc/97/00/64/563970064.db2.gz RTLNTFBSFXTGLQ-INIZCTEOSA-N 1 0 343.389 3.566 50 0 EHAARO CSCc1nc(CCn2ccnc2-c2ccc(O)cc2)cs1 ZINC000077505326 563970068 /nfs/dbraw/zinc/97/00/68/563970068.db2.gz LIMNVJOHZHXFRC-UHFFFAOYSA-N 1 0 331.466 3.818 50 0 EHAARO O=C([C@H]1CC12CC[NH2+]CC2)N(Cc1ccccc1)Cc1ccccc1 ZINC000097212481 563970506 /nfs/dbraw/zinc/97/05/06/563970506.db2.gz QHGZFPZXAQFIKQ-HXUWFJFHSA-N 1 0 334.463 3.605 50 0 EHAARO COCc1c(Cl)cccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000097232208 563970736 /nfs/dbraw/zinc/97/07/36/563970736.db2.gz LEDWWIKQPRREKY-UHFFFAOYSA-N 1 0 345.874 3.958 50 0 EHAARO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCc3sccc3C2)CC1 ZINC000072280417 563973193 /nfs/dbraw/zinc/97/31/93/563973193.db2.gz PNJWEBWOCMFUGL-UHFFFAOYSA-N 1 0 336.501 3.753 50 0 EHAARO CN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(F)cc1Cl ZINC000096148229 563979612 /nfs/dbraw/zinc/97/96/12/563979612.db2.gz OMJITDSTUNBHNY-UHFFFAOYSA-N 1 0 327.831 3.819 50 0 EHAARO C[N@H+](Cn1c2ccc(Br)cc2oc1=O)C1CCCCC1 ZINC000000175072 563987643 /nfs/dbraw/zinc/98/76/43/563987643.db2.gz XVYCNNGDPAQWGV-UHFFFAOYSA-N 1 0 339.233 3.579 50 0 biogenic EHAARO COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000000212625 563988534 /nfs/dbraw/zinc/98/85/34/563988534.db2.gz NBZLMHQNTDKNQS-UHFFFAOYSA-N 1 0 349.525 3.517 50 0 EHAARO COc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000017911589 564013280 /nfs/dbraw/zinc/01/32/80/564013280.db2.gz PLXVVSRUCOYUBP-FQEVSTJZSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCc3ccccc3C2)n1 ZINC000189088913 564014540 /nfs/dbraw/zinc/01/45/40/564014540.db2.gz RMPKCZWTMLUUPB-OAQYLSRUSA-N 1 0 349.478 3.502 50 0 EHAARO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000102536810 564020157 /nfs/dbraw/zinc/02/01/57/564020157.db2.gz HPZFWZRVZYQFJM-DLBZAZTESA-N 1 0 329.488 3.736 50 0 EHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cc(C)ccc1C)[C@H](C)CC ZINC000105750592 564025320 /nfs/dbraw/zinc/02/53/20/564025320.db2.gz AMJPXWUZBPWAJA-MJGOQNOKSA-N 1 0 335.488 3.608 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000047415953 564026267 /nfs/dbraw/zinc/02/62/67/564026267.db2.gz GNKVIIGQAFQYJY-CALCHBBNSA-N 1 0 341.499 3.585 50 0 EHAARO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000106860876 564026705 /nfs/dbraw/zinc/02/67/05/564026705.db2.gz REFDHLMUEXJPCQ-QWHCGFSZSA-N 1 0 328.378 3.556 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000044670937 564027091 /nfs/dbraw/zinc/02/70/91/564027091.db2.gz YVKGWKXCSVVXNY-LLVKDONJSA-N 1 0 340.851 3.908 50 0 EHAARO C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccs1 ZINC000044891295 564027504 /nfs/dbraw/zinc/02/75/04/564027504.db2.gz REKDWOWKZCGERG-UONOGXRCSA-N 1 0 333.457 3.538 50 0 EHAARO CC(C)c1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CCC(C)(C)C2)n1 ZINC000048267874 564030397 /nfs/dbraw/zinc/03/03/97/564030397.db2.gz GOIQZOQOVCXHCX-UHFFFAOYSA-N 1 0 325.456 3.792 50 0 EHAARO CC[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1OCC(=O)NC ZINC000048749803 564032182 /nfs/dbraw/zinc/03/21/82/564032182.db2.gz IRVGYLVTJUXZIH-KRWDZBQOSA-N 1 0 346.858 3.706 50 0 EHAARO O=C(Nc1cccc(C[NH2+]Cc2cccnc2)c1)c1ccc(F)cc1 ZINC000048781100 564032220 /nfs/dbraw/zinc/03/22/20/564032220.db2.gz MEMIOJRIXZJHFD-UHFFFAOYSA-N 1 0 335.382 3.763 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000032902452 564036283 /nfs/dbraw/zinc/03/62/83/564036283.db2.gz ZHTCCMAZMDBOCU-SFHVURJKSA-N 1 0 332.394 3.778 50 0 EHAARO CC[N@H+](CC(=O)N1CCc2ccccc21)[C@@H](C)c1cccc(OC)c1 ZINC000032927270 564036302 /nfs/dbraw/zinc/03/63/02/564036302.db2.gz UNGZZUGREJPEKE-INIZCTEOSA-N 1 0 338.451 3.667 50 0 EHAARO CC[N@@H+]1CCCN(C(=O)c2cccc(-c3cccc(OC)c3)c2)CC1 ZINC000222295640 564036794 /nfs/dbraw/zinc/03/67/94/564036794.db2.gz VEKIBDUPPXFWNZ-UHFFFAOYSA-N 1 0 338.451 3.530 50 0 EHAARO CCc1ccc(-c2ccc(C(=O)N(CC)CCC[NH+](C)C)o2)cc1 ZINC000225554034 564047792 /nfs/dbraw/zinc/04/77/92/564047792.db2.gz QOKFEAQLCRZAPD-UHFFFAOYSA-N 1 0 328.456 3.923 50 0 EHAARO C[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000225562153 564047832 /nfs/dbraw/zinc/04/78/32/564047832.db2.gz IGVONATZDIEUSU-WBMJQRKESA-N 1 0 340.389 3.615 50 0 EHAARO C[NH+](C)CCCNC(=S)Nc1ccc(OCc2ccccc2)cc1 ZINC000005940211 564057169 /nfs/dbraw/zinc/05/71/69/564057169.db2.gz MVJLGHYDDFNJBF-UHFFFAOYSA-N 1 0 343.496 3.504 50 0 EHAARO O=C(/C=C/c1cccs1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971615 564058867 /nfs/dbraw/zinc/05/88/67/564058867.db2.gz MEAWBRAOJADCRT-ONEGZZNKSA-N 1 0 346.521 3.851 50 0 EHAARO Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1C1CCCC1 ZINC000012572025 564059968 /nfs/dbraw/zinc/05/99/68/564059968.db2.gz CJUNRBIGZONRLQ-GOSISDBHSA-N 1 0 348.454 3.666 50 0 EHAARO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3)cc2)C1 ZINC000534638700 564061362 /nfs/dbraw/zinc/06/13/62/564061362.db2.gz MODSXUONGMQIMA-HXUWFJFHSA-N 1 0 337.467 3.589 50 0 EHAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2cc3cc(F)ccc3o2)cn1 ZINC000083843488 564063736 /nfs/dbraw/zinc/06/37/36/564063736.db2.gz YRUBQYLGPLCTQN-DJJJIMSYSA-N 1 0 343.402 3.656 50 0 EHAARO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1C ZINC000084075116 564066144 /nfs/dbraw/zinc/06/61/44/564066144.db2.gz AIEDISYFGYKFLD-SFHVURJKSA-N 1 0 339.483 3.928 50 0 EHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000012756611 564067334 /nfs/dbraw/zinc/06/73/34/564067334.db2.gz MUBWPVUEIFXKDS-LJQANCHMSA-N 1 0 325.408 3.819 50 0 EHAARO CC[C@H](Cc1ccccc1Br)[N@H+](C)Cc1nnc(C)o1 ZINC000185924045 564075118 /nfs/dbraw/zinc/07/51/18/564075118.db2.gz ZCLHGWLASBICJZ-CYBMUJFWSA-N 1 0 338.249 3.594 50 0 EHAARO COc1ccc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cc1F ZINC000121360149 564078831 /nfs/dbraw/zinc/07/88/31/564078831.db2.gz FWQLGLGEIMBASE-AWEZNQCLSA-N 1 0 329.419 3.549 50 0 EHAARO COc1ccc2c(c1)SCc1ccccc1[C@]2(O)CCC[NH+](C)C ZINC000075278753 564081400 /nfs/dbraw/zinc/08/14/00/564081400.db2.gz JDNCFTMZFKYBBK-HXUWFJFHSA-N 1 0 343.492 3.879 50 0 EHAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccnc2)CC1 ZINC000242196997 564088477 /nfs/dbraw/zinc/08/84/77/564088477.db2.gz XGVKFICAMNGJBL-CZAAIQMYSA-N 1 0 349.478 3.527 50 0 EHAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000245393426 564088682 /nfs/dbraw/zinc/08/86/82/564088682.db2.gz CTHYYUMGDOTWLX-HKUYNNGSSA-N 1 0 330.472 3.623 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(-c4ccccc4F)o3)[C@H]1C[C@H](O)CC2 ZINC000426711968 564094411 /nfs/dbraw/zinc/09/44/11/564094411.db2.gz BXHVSLBYCAAFRL-VOBQZIQPSA-N 1 0 345.414 3.590 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)s1 ZINC000065286796 564104433 /nfs/dbraw/zinc/10/44/33/564104433.db2.gz YSYRXNWLGRERQU-HNNXBMFYSA-N 1 0 339.468 3.616 50 0 EHAARO C[C@H]1Cc2ccccc2N1C(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000065475672 564106253 /nfs/dbraw/zinc/10/62/53/564106253.db2.gz BAHXWKHFILNEBY-INIZCTEOSA-N 1 0 347.462 3.794 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000065547739 564107352 /nfs/dbraw/zinc/10/73/52/564107352.db2.gz NYLZRRZGTQSYED-KRWDZBQOSA-N 1 0 344.503 3.529 50 0 EHAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000192967798 564111660 /nfs/dbraw/zinc/11/16/60/564111660.db2.gz ZQJAPQQLPMUXIK-OUAUKWLOSA-N 1 0 328.206 3.798 50 0 EHAARO Cc1csc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)n1 ZINC000089705643 564113239 /nfs/dbraw/zinc/11/32/39/564113239.db2.gz SWKOTXDSAMXDFJ-UHFFFAOYSA-N 1 0 342.512 3.596 50 0 EHAARO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000089885208 564114707 /nfs/dbraw/zinc/11/47/07/564114707.db2.gz RRPFUQYBRJXITG-MAUKXSAKSA-N 1 0 343.446 3.547 50 0 EHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@@H](C)C1 ZINC000076057482 564115085 /nfs/dbraw/zinc/11/50/85/564115085.db2.gz VPIOPKRUMQCFJO-YOEHRIQHSA-N 1 0 330.497 3.884 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(Cl)cc2C)CC1 ZINC000006703101 564117424 /nfs/dbraw/zinc/11/74/24/564117424.db2.gz SLCJWKNGAOAMRB-UHFFFAOYSA-N 1 0 339.863 3.692 50 0 EHAARO Cc1ccc([C@H](NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C(C)(C)C)o1 ZINC000252486331 564119321 /nfs/dbraw/zinc/11/93/21/564119321.db2.gz INNKCJLSWHAPDG-RDJZCZTQSA-N 1 0 333.476 3.555 50 0 EHAARO CC(C)SCC[NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000252503088 564119883 /nfs/dbraw/zinc/11/98/83/564119883.db2.gz UYESTOPLJMGHIM-CQSZACIVSA-N 1 0 340.508 3.579 50 0 EHAARO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(Cc1ccccc1)CC1CCC1 ZINC000252511380 564120085 /nfs/dbraw/zinc/12/00/85/564120085.db2.gz GEEPZPGWBFNJLF-PMACEKPBSA-N 1 0 341.499 3.625 50 0 EHAARO CC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)c1ccc(OC2CCCC2)cc1 ZINC000170677676 564121399 /nfs/dbraw/zinc/12/13/99/564121399.db2.gz SDVGMVDVKJFBGU-RBUKOAKNSA-N 1 0 332.488 3.949 50 0 EHAARO CC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)c1ccc(OC2CCCC2)cc1 ZINC000170677668 564121414 /nfs/dbraw/zinc/12/14/14/564121414.db2.gz SDVGMVDVKJFBGU-RTBURBONSA-N 1 0 332.488 3.949 50 0 EHAARO CC(=O)N1CCC(CC[NH2+][C@H](c2ccco2)c2ccc(F)cc2)CC1 ZINC000195560736 564123867 /nfs/dbraw/zinc/12/38/67/564123867.db2.gz YUVFAUPGZLBBKB-FQEVSTJZSA-N 1 0 344.430 3.746 50 0 EHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc2ccn(C)c2c1 ZINC000253414954 564130702 /nfs/dbraw/zinc/13/07/02/564130702.db2.gz ZEDSWABWPAGTSU-RBUKOAKNSA-N 1 0 339.483 3.515 50 0 biogenic EHAARO O=C(NCC1CC[NH2+]CC1)c1cccc(-c2ccc(F)cc2Cl)c1 ZINC000584892926 564131631 /nfs/dbraw/zinc/13/16/31/564131631.db2.gz RNCLEXZYPBQKAK-UHFFFAOYSA-N 1 0 346.833 3.876 50 0 EHAARO Clc1cccc(C[NH2+]C2CCN(c3ncccn3)CC2)c1Cl ZINC000078969301 564137484 /nfs/dbraw/zinc/13/74/84/564137484.db2.gz ZUSOJOONAVEGMB-UHFFFAOYSA-N 1 0 337.254 3.542 50 0 EHAARO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000079105176 564137899 /nfs/dbraw/zinc/13/78/99/564137899.db2.gz VIWYWAIBJKMRSB-STQMWFEESA-N 1 0 349.377 3.756 50 0 EHAARO O=C(NCCC1=CCCCC1)c1cnn(-c2ccncc2)c1C(F)F ZINC000390835105 564138963 /nfs/dbraw/zinc/13/89/63/564138963.db2.gz CRDVLVZMFYZURD-UHFFFAOYSA-N 1 0 346.381 3.825 50 0 EHAARO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C3CCCC3)[C@H](C)C2)s1 ZINC000095407991 564139603 /nfs/dbraw/zinc/13/96/03/564139603.db2.gz MRTTXROIICQFIL-GLJUWKHASA-N 1 0 349.544 3.604 50 0 EHAARO Cc1ccc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000095463319 564140921 /nfs/dbraw/zinc/14/09/21/564140921.db2.gz ABSNATUIJFEMAT-HNNXBMFYSA-N 1 0 329.419 3.776 50 0 EHAARO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)CCO1 ZINC000095465784 564140994 /nfs/dbraw/zinc/14/09/94/564140994.db2.gz XOGHFBFSVMGSHM-RBUKOAKNSA-N 1 0 342.487 3.556 50 0 EHAARO C[C@@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000095968748 564143271 /nfs/dbraw/zinc/14/32/71/564143271.db2.gz QHWDDPGZTPLFOU-HNNXBMFYSA-N 1 0 345.437 3.718 50 0 EHAARO COc1cccc([C@@H](CO)[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000095975163 564143550 /nfs/dbraw/zinc/14/35/50/564143550.db2.gz OUMMUOOCZQXSBA-MRXNPFEDSA-N 1 0 343.320 3.676 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1nc2c(s1)CCCC2 ZINC000095988204 564144066 /nfs/dbraw/zinc/14/40/66/564144066.db2.gz RKULYURLJNUJLU-UONOGXRCSA-N 1 0 336.501 3.748 50 0 EHAARO O[C@@H](C[NH2+]Cc1csc(-c2cccs2)n1)c1cccc(F)c1 ZINC000096403971 564147184 /nfs/dbraw/zinc/14/71/84/564147184.db2.gz SEKHMYPPGVAATO-AWEZNQCLSA-N 1 0 334.441 3.834 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2cccs2)cc1Cn1cccn1 ZINC000096476369 564148408 /nfs/dbraw/zinc/14/84/08/564148408.db2.gz ZZXREYCAIKMQRG-CQSZACIVSA-N 1 0 327.453 3.852 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)c1 ZINC000096476721 564148452 /nfs/dbraw/zinc/14/84/52/564148452.db2.gz BGDAMYXTJDSUGI-CYBMUJFWSA-N 1 0 344.480 3.628 50 0 EHAARO COCc1cc([C@H](C)NC2CC[NH+](C3CCCC3)CC2)ccc1OC ZINC000096479045 564148526 /nfs/dbraw/zinc/14/85/26/564148526.db2.gz CKDZOCVNJNIILK-INIZCTEOSA-N 1 0 346.515 3.899 50 0 EHAARO C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000283264120 564148872 /nfs/dbraw/zinc/14/88/72/564148872.db2.gz WFKCVEKZNHNASV-LSDHHAIUSA-N 1 0 344.405 3.778 50 0 EHAARO Cc1nc2scc(-c3ccccc3)c2c(N2CCC[N@@H+](C)CC2)n1 ZINC000008178102 564163302 /nfs/dbraw/zinc/16/33/02/564163302.db2.gz HBXDHDOWWOFCIG-UHFFFAOYSA-N 1 0 338.480 3.809 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNC(=O)C2(c3cc(C)cc(C)c3)CCC2)C1 ZINC000069472124 564169777 /nfs/dbraw/zinc/16/97/77/564169777.db2.gz RWARDXXZEGIPTB-SFHVURJKSA-N 1 0 328.500 3.573 50 0 EHAARO O=C(c1ccoc1)N1CCC(Nc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000069775005 564172134 /nfs/dbraw/zinc/17/21/34/564172134.db2.gz LSUKOAFUVFJSGL-UHFFFAOYSA-N 1 0 339.370 3.684 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)c(OC)c1OC ZINC000042225598 564174755 /nfs/dbraw/zinc/17/47/55/564174755.db2.gz FVEFZUFRABPLPK-UHFFFAOYSA-N 1 0 345.439 3.789 50 0 EHAARO CCC(=O)Nc1ccc(NC(=O)NCCCCCCC[NH+](C)C)cc1 ZINC000071831220 564175716 /nfs/dbraw/zinc/17/57/16/564175716.db2.gz KWHDAUKWWMERGQ-UHFFFAOYSA-N 1 0 348.491 3.669 50 0 EHAARO COc1cc(-c2ccccc2)sc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000071828408 564175727 /nfs/dbraw/zinc/17/57/27/564175727.db2.gz SHGGKJQEACNXGC-UHFFFAOYSA-N 1 0 344.480 3.590 50 0 EHAARO O=C1NCCCCCC[N@@H+](Cc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]12 ZINC000257185607 1032682235 /nfs/dbraw/zinc/68/22/35/1032682235.db2.gz XFCKQSGNFZIWHS-QAPCUYQASA-N 1 0 336.426 3.626 50 0 EHAARO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@H]2CCCOC2)c1 ZINC000177579005 1035241625 /nfs/dbraw/zinc/24/16/25/1035241625.db2.gz XGPKFRLOMYUMEQ-KRWDZBQOSA-N 1 0 343.471 3.582 50 0 EHAARO Cc1ccccc1NC1(CNc2ncnc3c2cnn3C)CCCC1 ZINC000871073774 1037852071 /nfs/dbraw/zinc/85/20/71/1037852071.db2.gz RZKUIBDOTKWYEN-UHFFFAOYSA-N 1 0 336.443 3.509 50 0 EHAARO Clc1cccc([C@H](Cc2cccnc2)[NH2+]CC2=CCCOC2)c1 ZINC000348208978 1040318521 /nfs/dbraw/zinc/31/85/21/1040318521.db2.gz VRSQMWACOIHDAR-IBGZPJMESA-N 1 0 328.843 3.955 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)C=CCC2)Cc1ccccc1 ZINC000170612254 1040351037 /nfs/dbraw/zinc/35/10/37/1040351037.db2.gz INDZQJHJXRGTEQ-NRFANRHFSA-N 1 0 334.463 3.549 50 0 EHAARO OCc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)cc1 ZINC000318786488 1043750443 /nfs/dbraw/zinc/75/04/43/1043750443.db2.gz JQBFGNHQSNIPII-UHFFFAOYSA-N 1 0 327.758 3.724 50 0 EHAARO COc1cc(N[C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)cc(OC)c1 ZINC000155117723 1123192043 /nfs/dbraw/zinc/19/20/43/1123192043.db2.gz NPPKGXCREMESMY-CQSZACIVSA-N 1 0 347.484 3.545 50 0 EHAARO Clc1ccc2[nH]c(CC[NH2+][C@@H]3CCN(c4ccccc4)C3)nc2c1 ZINC000825573682 1131281515 /nfs/dbraw/zinc/28/15/15/1131281515.db2.gz DZKSJEYDHXENRC-OAHLLOKOSA-N 1 0 340.858 3.627 50 0 EHAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2cccnc2)C1 ZINC000011937758 1129192953 /nfs/dbraw/zinc/19/29/53/1129192953.db2.gz ZMYBSFFDIIGADH-OAQYLSRUSA-N 1 0 337.511 3.777 50 0 EHAARO C[N@@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)c2ccccc2F)CC1 ZINC000012596815 1129441040 /nfs/dbraw/zinc/44/10/40/1129441040.db2.gz WZNXRMRROOOASB-IBGZPJMESA-N 1 0 340.442 3.512 50 0 EHAARO Cc1csc(SCC(=O)Nc2ccccc2C[NH+]2CCCC2)n1 ZINC000828075189 1131418578 /nfs/dbraw/zinc/41/85/78/1131418578.db2.gz RPYUWNZFQXFCFS-UHFFFAOYSA-N 1 0 347.509 3.778 50 0 EHAARO O=C(CC1CCCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCCCC1)CCO2 ZINC000581784237 1132356997 /nfs/dbraw/zinc/35/69/97/1132356997.db2.gz MSSMIIOKCWBRBX-IBGZPJMESA-N 1 0 348.531 3.593 50 0 EHAARO CCCC(=O)N1CCC(Cc2[nH+]cc(C)n2Cc2ccccc2)CC1 ZINC000581816991 1132374577 /nfs/dbraw/zinc/37/45/77/1132374577.db2.gz MISFFQSOPLUDTC-UHFFFAOYSA-N 1 0 339.483 3.821 50 0 EHAARO CN(c1ccccc1)C1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000192058147 1136979005 /nfs/dbraw/zinc/97/90/05/1136979005.db2.gz ICARPBGVTCUPCJ-NRFANRHFSA-N 1 0 349.478 3.541 50 0 EHAARO CC[N@@H+]1CCCC[C@H]1CNc1ccc([S@](=N)(=O)C(F)(F)F)cc1 ZINC000585092637 1136994119 /nfs/dbraw/zinc/99/41/19/1136994119.db2.gz HQWMEICXIJVTKT-NPMABZOXSA-N 1 0 349.422 3.898 50 0 EHAARO Cc1cccc(OCC(=O)Nc2ccccc2C[NH+]2CCCC2)c1C ZINC000041970485 1137306696 /nfs/dbraw/zinc/30/66/96/1137306696.db2.gz LMPVYYLLIZKPJP-UHFFFAOYSA-N 1 0 338.451 3.917 50 0 EHAARO COc1cc2c(c(C[NH2+]CC3(C(F)(F)F)CCC3)c1)O[C@@H](C)C2 ZINC000513002288 1137478397 /nfs/dbraw/zinc/47/83/97/1137478397.db2.gz WSTCKQWLFPUUKZ-NSHDSACASA-N 1 0 329.362 3.841 50 0 EHAARO CC[N@H+](Cc1cnn(-c2ccccc2F)c1)[C@H]1CCOC(C)(C)C1 ZINC000952846129 1137482797 /nfs/dbraw/zinc/48/27/97/1137482797.db2.gz GJQWBFIEHVMNRB-INIZCTEOSA-N 1 0 331.435 3.791 50 0 EHAARO O=c1[nH]c2cc(Cl)ccc2cc1C[N@H+](CCO)Cc1cccs1 ZINC000952873179 1137482989 /nfs/dbraw/zinc/48/29/89/1137482989.db2.gz WOKSGPWHZHQDQW-UHFFFAOYSA-N 1 0 348.855 3.650 50 0 EHAARO O=C(NCCCSc1ccccc1)c1ccc(C[NH+]2CCCC2)o1 ZINC000952980292 1137484785 /nfs/dbraw/zinc/48/47/85/1137484785.db2.gz GERXAEUVZFUSEV-UHFFFAOYSA-N 1 0 344.480 3.788 50 0 EHAARO Oc1cccc(CN2CCC[C@@H]([NH2+]Cc3ccc(Cl)s3)C2)c1 ZINC000952984837 1137485330 /nfs/dbraw/zinc/48/53/30/1137485330.db2.gz NWPGHNYRQVMUPU-CQSZACIVSA-N 1 0 336.888 3.861 50 0 EHAARO Cc1cccc(-n2cc(C[NH2+]CCCn3ccnc3C(C)C)cn2)c1 ZINC000952991035 1137485759 /nfs/dbraw/zinc/48/57/59/1137485759.db2.gz ZFDGYFJTTUTLRC-UHFFFAOYSA-N 1 0 337.471 3.681 50 0 EHAARO CC(C)Cn1cncc1C[NH2+]Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000952988220 1137485793 /nfs/dbraw/zinc/48/57/93/1137485793.db2.gz MWHVXKNZUZHOPM-UHFFFAOYSA-N 1 0 344.846 3.736 50 0 EHAARO CC(=O)N1CCc2cc(-c3nc(C4C=CC=CC4=[NH2+])sc3C)ccc21 ZINC000104808772 1139255494 /nfs/dbraw/zinc/25/54/94/1139255494.db2.gz BITZKBIMQLGXPB-MUZBRXADSA-N 1 0 349.459 3.978 50 0 EHAARO O=C1OCC2(CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)O1 ZINC000097641885 219043257 /nfs/dbraw/zinc/04/32/57/219043257.db2.gz WHZDFAXMXZZWAJ-UHFFFAOYSA-N 1 0 337.419 3.820 50 0 EHAARO CCCN(CC1CC1)C(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000004725528 210261302 /nfs/dbraw/zinc/26/13/02/210261302.db2.gz VQLGKTPORHBRJR-UHFFFAOYSA-N 1 0 328.500 3.856 50 0 EHAARO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000055404178 214320701 /nfs/dbraw/zinc/32/07/01/214320701.db2.gz CRDMMPKFDURCLO-UONOGXRCSA-N 1 0 343.446 3.533 50 0 EHAARO CCC[NH+]1CCC(NC(=O)c2oc3c(c2C)c(C)ccc3C)CC1 ZINC000056968783 214397660 /nfs/dbraw/zinc/39/76/60/214397660.db2.gz HCRXKBITXJYJRH-UHFFFAOYSA-N 1 0 328.456 3.962 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(C)cc2)N3)C1 ZINC000004556140 210220856 /nfs/dbraw/zinc/22/08/56/210220856.db2.gz PKWNGWNXZSEKJM-MRXNPFEDSA-N 1 0 327.453 3.863 50 0 EHAARO Clc1cccc(-n2nnnc2C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000004481920 210200414 /nfs/dbraw/zinc/20/04/14/210200414.db2.gz IGOYOLQNMOPISX-UHFFFAOYSA-N 1 0 345.878 3.961 50 0 EHAARO C[C@@H](C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000003349395 210015577 /nfs/dbraw/zinc/01/55/77/210015577.db2.gz DEXXSHGSYMDIJX-KXBFYZLASA-N 1 0 333.859 3.611 50 0 EHAARO COc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC000067561410 215162170 /nfs/dbraw/zinc/16/21/70/215162170.db2.gz LGVGBBWYHLWSKJ-OAQYLSRUSA-N 1 0 344.499 3.556 50 0 EHAARO CC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(C)ccc4ccccc43)C2)C1 ZINC000067676570 215182156 /nfs/dbraw/zinc/18/21/56/215182156.db2.gz OVOTYTHPMVMEKE-JOCHJYFZSA-N 1 0 336.479 3.983 50 0 EHAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[NH2+]CC1 ZINC000067770748 215208348 /nfs/dbraw/zinc/20/83/48/215208348.db2.gz OUMLPHMWCPERPU-UHFFFAOYSA-N 1 0 349.434 3.848 50 0 EHAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc(C(C)C)nn1 ZINC000067935290 215254729 /nfs/dbraw/zinc/25/47/29/215254729.db2.gz HGLXBGYQORLUJE-UHFFFAOYSA-N 1 0 327.428 3.997 50 0 EHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1c(-c2ccccc2)nc2ncccn12 ZINC000067973693 215263685 /nfs/dbraw/zinc/26/36/85/215263685.db2.gz BJUWBAPLVKOJSB-MRXNPFEDSA-N 1 0 343.434 3.984 50 0 EHAARO C[C@@H](SCc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040140903 213271903 /nfs/dbraw/zinc/27/19/03/213271903.db2.gz FJNOKWXBFULCMC-ZBFHGGJFSA-N 1 0 348.537 3.789 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc2c(c1)CCCC2)c1ccsc1 ZINC000040071004 213257640 /nfs/dbraw/zinc/25/76/40/213257640.db2.gz BLEPJJCDUXESJO-IBGZPJMESA-N 1 0 342.508 3.589 50 0 EHAARO C[C@@H](CCc1ccccc1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000040071105 213257696 /nfs/dbraw/zinc/25/76/96/213257696.db2.gz POOGFCQFOOTZCJ-HNNXBMFYSA-N 1 0 331.504 3.616 50 0 EHAARO O=C(CCc1ccsc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000039510576 213238297 /nfs/dbraw/zinc/23/82/97/213238297.db2.gz HBKOHTJLERQHQT-QGZVFWFLSA-N 1 0 334.529 3.984 50 0 EHAARO CCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1=O ZINC000038545815 213214043 /nfs/dbraw/zinc/21/40/43/213214043.db2.gz ZWCFYUWFBUYELH-FQEVSTJZSA-N 1 0 340.467 3.704 50 0 EHAARO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Br)cs1 ZINC000037156809 213134787 /nfs/dbraw/zinc/13/47/87/213134787.db2.gz PCPMBCUUHNQDFV-CYBMUJFWSA-N 1 0 342.306 3.912 50 0 EHAARO CC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036103778 213068327 /nfs/dbraw/zinc/06/83/27/213068327.db2.gz KRHRUQBSIQXEOA-SFHVURJKSA-N 1 0 347.430 3.616 50 0 EHAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1 ZINC000036031097 213056797 /nfs/dbraw/zinc/05/67/97/213056797.db2.gz HBBNZMBEYKKMQS-HXUWFJFHSA-N 1 0 327.468 3.955 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000035052972 213005619 /nfs/dbraw/zinc/00/56/19/213005619.db2.gz SDCHXRFZDLZQFR-HKUYNNGSSA-N 1 0 325.452 3.968 50 0 EHAARO C[N@H+](CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCc2ccccc21 ZINC000032751339 212834713 /nfs/dbraw/zinc/83/47/13/212834713.db2.gz LJRXYRUGSFBOGF-FQEVSTJZSA-N 1 0 348.446 3.682 50 0 EHAARO CCCn1ccnc1C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000072131900 216020031 /nfs/dbraw/zinc/02/00/31/216020031.db2.gz FCFJFXOFFFNCOC-INIZCTEOSA-N 1 0 337.471 3.624 50 0 EHAARO Cc1nccc(-c2ccccc2)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000072137289 216024598 /nfs/dbraw/zinc/02/45/98/216024598.db2.gz MTKNRAJWYPTMQH-IBGZPJMESA-N 1 0 349.478 3.757 50 0 EHAARO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000072163351 216051412 /nfs/dbraw/zinc/05/14/12/216051412.db2.gz ZOIUYRQKLJXIGG-OAQYLSRUSA-N 1 0 336.479 3.839 50 0 EHAARO CCCOc1ccc(C[NH2+][C@H]2CCCc3c2cnn3CC)cc1OC ZINC000072298390 216136684 /nfs/dbraw/zinc/13/66/84/216136684.db2.gz DAKUBRVEDQAMOT-KRWDZBQOSA-N 1 0 343.471 3.868 50 0 EHAARO Cc1nc(CN2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)co1 ZINC000072436290 216231232 /nfs/dbraw/zinc/23/12/32/216231232.db2.gz MEBYCFMKGKMNQR-NRFANRHFSA-N 1 0 339.483 3.861 50 0 EHAARO CCCn1cnc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3C(C)C)s2)n1 ZINC000023619346 212385885 /nfs/dbraw/zinc/38/58/85/212385885.db2.gz GYLAYTBFHCJJNM-CYBMUJFWSA-N 1 0 347.488 3.547 50 0 EHAARO OCC[C@@H]1C[N@@H+](C2CCCCCCC2)CCN1Cc1ccccc1 ZINC000023145533 212355508 /nfs/dbraw/zinc/35/55/08/212355508.db2.gz HPENFZOLAKXISO-OAQYLSRUSA-N 1 0 330.516 3.668 50 0 EHAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(OC)c1OC ZINC000022784750 212323791 /nfs/dbraw/zinc/32/37/91/212323791.db2.gz ZEICMTCHNCRBTK-NSHDSACASA-N 1 0 337.366 3.841 50 0 EHAARO Cc1c2ccccc2oc1C[N@@H+]1CCCN(Cc2ccccn2)CC1 ZINC000215731851 241139975 /nfs/dbraw/zinc/13/99/75/241139975.db2.gz ZFDWTZYHRHDJQA-UHFFFAOYSA-N 1 0 335.451 3.844 50 0 EHAARO Oc1cccc(CN(Cc2cnc(N3CCCC3)s2)C2CC2)c1 ZINC000215910173 241154315 /nfs/dbraw/zinc/15/43/15/241154315.db2.gz DPCMAWIZYBQSQJ-UHFFFAOYSA-N 1 0 329.469 3.614 50 0 EHAARO COc1cc2c(cc1C[N@@H+]1CCN(C)[C@@H](c3ccccc3)C1)CCC2 ZINC000215529755 241131255 /nfs/dbraw/zinc/13/12/55/241131255.db2.gz FAWVUDNETSKOPX-OAQYLSRUSA-N 1 0 336.479 3.673 50 0 EHAARO CC(C)Oc1c(Cl)cc(CN(C)[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000219315138 241380414 /nfs/dbraw/zinc/38/04/14/241380414.db2.gz JOONLDPZOSSDFE-CYBMUJFWSA-N 1 0 331.287 3.917 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000021718121 212243102 /nfs/dbraw/zinc/24/31/02/212243102.db2.gz SEYRNJPLVSJXTK-IRXDYDNUSA-N 1 0 329.488 3.908 50 0 EHAARO C[C@H](NC(=S)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000229778887 242197659 /nfs/dbraw/zinc/19/76/59/242197659.db2.gz VRTMGQLBDBUGCZ-DWRORGKVSA-N 1 0 345.556 3.959 50 0 EHAARO CC(=O)c1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)cs1 ZINC000020913784 212185604 /nfs/dbraw/zinc/18/56/04/212185604.db2.gz AUDLFKHUCSVKMZ-KRWDZBQOSA-N 1 0 346.471 3.844 50 0 EHAARO CC(C)(C)c1ccc(-c2n[nH]c3c2C[N@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000020535854 212144722 /nfs/dbraw/zinc/14/47/22/212144722.db2.gz RZOZSDKEHFTDMN-OAHLLOKOSA-N 1 0 339.483 3.769 50 0 EHAARO Cc1cccc(C)c1Oc1ncccc1CNC1CC[NH+](C)CC1 ZINC000020203754 212111048 /nfs/dbraw/zinc/11/10/48/212111048.db2.gz KUUAGNAJSGIGNN-UHFFFAOYSA-N 1 0 325.456 3.675 50 0 EHAARO COc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000019594834 212050408 /nfs/dbraw/zinc/05/04/08/212050408.db2.gz YWTCZYLLEHCAQG-KRWDZBQOSA-N 1 0 327.472 3.996 50 0 EHAARO Clc1cccc2ccc(CN3CCC([NH+]4CCCC4)CC3)nc12 ZINC000019347261 212019294 /nfs/dbraw/zinc/01/92/94/212019294.db2.gz YOPUATCDTYDACL-UHFFFAOYSA-N 1 0 329.875 3.948 50 0 EHAARO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085313303 217659211 /nfs/dbraw/zinc/65/92/11/217659211.db2.gz KHVQLHJAKJMZQA-HSZRJFAPSA-N 1 0 331.481 3.544 50 0 EHAARO CC(C)(C)[NH2+]Cc1ccc(OC[C@H]2COc3ccccc3O2)cc1 ZINC000012381488 211361360 /nfs/dbraw/zinc/36/13/60/211361360.db2.gz RGFREYQVSMKBTR-KRWDZBQOSA-N 1 0 327.424 3.794 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012195338 211317015 /nfs/dbraw/zinc/31/70/15/211317015.db2.gz AUHZWIZHOOCUEG-NVGMFHGRSA-N 1 0 348.437 3.746 50 0 EHAARO CC[N@@H+]1CCC[C@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012075955 211286561 /nfs/dbraw/zinc/28/65/61/211286561.db2.gz YDPDDZJIPFINDI-CQSZACIVSA-N 1 0 348.878 3.554 50 0 EHAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2ccccn2)C1 ZINC000011937297 211271373 /nfs/dbraw/zinc/27/13/73/211271373.db2.gz QVBIECRXUPVDQP-LJQANCHMSA-N 1 0 330.859 3.552 50 0 EHAARO Cc1ccccc1CN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011868140 211261242 /nfs/dbraw/zinc/26/12/42/211261242.db2.gz ZTTNLBSZRSIKOQ-FQEVSTJZSA-N 1 0 340.442 3.805 50 0 EHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c(C)c1 ZINC000011873266 211261144 /nfs/dbraw/zinc/26/11/44/211261144.db2.gz KNNYDXSOUIECEM-QGZVFWFLSA-N 1 0 338.451 3.802 50 0 EHAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)C1 ZINC000091808304 218069032 /nfs/dbraw/zinc/06/90/32/218069032.db2.gz JRHWJFBNZUYLQS-GHTZIAJQSA-N 1 0 348.490 3.723 50 0 EHAARO O=C(CCc1cccc(F)c1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011662869 211229314 /nfs/dbraw/zinc/22/93/14/211229314.db2.gz SQJQHHWZHHSWTR-FQEVSTJZSA-N 1 0 346.490 3.919 50 0 EHAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1Oc1ccccc1)C2 ZINC000091858100 218078121 /nfs/dbraw/zinc/07/81/21/218078121.db2.gz CBGJEROFBKITKD-IAGOWNOFSA-N 1 0 336.435 3.645 50 0 EHAARO COc1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010332220 211166067 /nfs/dbraw/zinc/16/60/67/211166067.db2.gz AGWPHVUPBIRBKR-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)COc1ccc2ccccc2c1)c1ccccc1 ZINC000010328068 211164397 /nfs/dbraw/zinc/16/43/97/211164397.db2.gz SCHCFRBDTHWDHU-OAQYLSRUSA-N 1 0 348.446 3.638 50 0 EHAARO O=C(C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CCc2ccccc21 ZINC000095347354 218282594 /nfs/dbraw/zinc/28/25/94/218282594.db2.gz ZMDUEYBOMVCLND-HXUWFJFHSA-N 1 0 340.854 3.970 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3C)CC2)cc1 ZINC000009063116 211038113 /nfs/dbraw/zinc/03/81/13/211038113.db2.gz LYRXYMURAWYLEL-UHFFFAOYSA-N 1 0 336.479 3.832 50 0 EHAARO O=C(N[C@@H]1COC2(CCCC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095390149 218321559 /nfs/dbraw/zinc/32/15/59/218321559.db2.gz YSMRSNGHXFNYIM-IBGZPJMESA-N 1 0 342.483 3.504 50 0 EHAARO O=C(N[C@H]1COC2(CCCC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095390148 218321789 /nfs/dbraw/zinc/32/17/89/218321789.db2.gz YSMRSNGHXFNYIM-LJQANCHMSA-N 1 0 342.483 3.504 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)c1 ZINC000095420147 218360841 /nfs/dbraw/zinc/36/08/41/218360841.db2.gz CSIIXBDSCOYFDY-INIZCTEOSA-N 1 0 348.450 3.741 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2ccnc2)c(OC)c1 ZINC000095420791 218361904 /nfs/dbraw/zinc/36/19/04/218361904.db2.gz UHKTYYBHBMWSJD-HNNXBMFYSA-N 1 0 337.423 3.740 50 0 EHAARO COc1ccccc1[C@H](C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000095421655 218364231 /nfs/dbraw/zinc/36/42/31/218364231.db2.gz COWLGIQCUSUVBV-CABCVRRESA-N 1 0 347.480 3.553 50 0 EHAARO COc1cc([C@H](C)[NH2+]C[C@H]2CC(=O)Nc3ccccc32)ccc1F ZINC000095453753 218397334 /nfs/dbraw/zinc/39/73/34/218397334.db2.gz GLBHYJFYPBSCGG-GXTWGEPZSA-N 1 0 328.387 3.611 50 0 EHAARO CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000006905200 210741182 /nfs/dbraw/zinc/74/11/82/210741182.db2.gz PGEQEXJBSSHWGB-FQEVSTJZSA-N 1 0 347.499 3.650 50 0 EHAARO CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000097034443 218923201 /nfs/dbraw/zinc/92/32/01/218923201.db2.gz QAALMNGLMABZJY-KURKYZTESA-N 1 0 345.487 3.510 50 0 EHAARO CC(C)c1ccc(OCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000004954794 210339694 /nfs/dbraw/zinc/33/96/94/210339694.db2.gz MHGMWNXAMXLEFP-UHFFFAOYSA-N 1 0 340.467 3.680 50 0 EHAARO Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CC[NH+](C)CC2)o1 ZINC000004812270 210283199 /nfs/dbraw/zinc/28/31/99/210283199.db2.gz XBXFIMKNSCMGLZ-KRWDZBQOSA-N 1 0 337.423 3.553 50 0 EHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000004758679 210272012 /nfs/dbraw/zinc/27/20/12/210272012.db2.gz QQELJIRNRWYISA-UHFFFAOYSA-N 1 0 345.446 3.844 50 0 EHAARO O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC000154120206 224206644 /nfs/dbraw/zinc/20/66/44/224206644.db2.gz DROOHWFDVFYMSY-PMACEKPBSA-N 1 0 349.434 3.592 50 0 EHAARO CC[C@H]1CN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)CC[NH2+]1 ZINC000426389636 257970170 /nfs/dbraw/zinc/97/01/70/257970170.db2.gz LMIRVWXKTMQBJL-INIZCTEOSA-N 1 0 346.833 3.970 50 0 EHAARO O=C(c1ccsc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000355334933 257930638 /nfs/dbraw/zinc/93/06/38/257930638.db2.gz MSWCANDJALOTQH-UHFFFAOYSA-N 1 0 340.492 3.876 50 0 EHAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(Cl)cc3)c(F)c2)C1 ZINC000299739294 258010929 /nfs/dbraw/zinc/01/09/29/258010929.db2.gz MXJGRJGAJZTXTQ-GFCCVEGCSA-N 1 0 348.805 3.692 50 0 EHAARO Fc1ccccc1-c1cnc(-c2cccnc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000299799781 258102956 /nfs/dbraw/zinc/10/29/56/258102956.db2.gz ZZLSWVHXRVAXBB-CQSZACIVSA-N 1 0 334.398 3.812 50 0 EHAARO Cc1c2cc(F)ccc2[nH]c1C(=O)N(C)CC[NH+]1CCCCCC1 ZINC000299800066 258103518 /nfs/dbraw/zinc/10/35/18/258103518.db2.gz VJRKANWLZGSXPH-UHFFFAOYSA-N 1 0 331.435 3.563 50 0 EHAARO Cc1c(-c2ccc(Cl)cc2)nn2c1nc(C)cc2NCC[NH+](C)C ZINC000040216984 258059722 /nfs/dbraw/zinc/05/97/22/258059722.db2.gz XDHCDICVFYYNFV-UHFFFAOYSA-N 1 0 343.862 3.640 50 0 EHAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000044934118 258060152 /nfs/dbraw/zinc/06/01/52/258060152.db2.gz PNLNJYNFNCXKDL-INIZCTEOSA-N 1 0 340.442 3.915 50 0 EHAARO C[C@@H]([NH2+]Cc1cccnc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000057568631 258061821 /nfs/dbraw/zinc/06/18/21/258061821.db2.gz JDXSSICCPOENDG-MRXNPFEDSA-N 1 0 331.419 3.865 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2[nH]ccc2c1)c1ccco1 ZINC000096164921 258067818 /nfs/dbraw/zinc/06/78/18/258067818.db2.gz INDJASDHNCABOI-QGZVFWFLSA-N 1 0 340.427 3.966 50 0 EHAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000299765370 258079937 /nfs/dbraw/zinc/07/99/37/258079937.db2.gz FZJBUSCHSSQGBL-SFHVURJKSA-N 1 0 339.483 3.923 50 0 EHAARO Cc1cc(N2CCN(CC(=O)c3ccccc3)CC2)c2ccccc2[nH+]1 ZINC000035590070 132389869 /nfs/dbraw/zinc/38/98/69/132389869.db2.gz PJGNPPUPBSZDLY-UHFFFAOYSA-N 1 0 345.446 3.548 50 0 EHAARO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H](c3ccccc3)C1(C)C)CC2 ZINC000123501650 222288273 /nfs/dbraw/zinc/28/82/73/222288273.db2.gz SAHDQMYOYITBSI-KURKYZTESA-N 1 0 338.499 3.888 50 0 EHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000156526679 525020506 /nfs/dbraw/zinc/02/05/06/525020506.db2.gz QIJMIDFRCWLTAA-PWSUYJOCSA-N 1 0 349.327 3.963 50 0 EHAARO Cc1nn(C2CCCCC2)c2c1[C@@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N2 ZINC000244716009 527700856 /nfs/dbraw/zinc/70/08/56/527700856.db2.gz LGSYQKLZYLVFJQ-IJEWVQPXSA-N 1 0 330.476 3.640 50 0 EHAARO CC(=O)N1CCc2ccc(NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000000154301 563247071 /nfs/dbraw/zinc/24/70/71/563247071.db2.gz ZWWYCLKNKWNZII-UHFFFAOYSA-N 1 0 349.478 3.672 50 0 EHAARO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1C ZINC000000236071 563264189 /nfs/dbraw/zinc/26/41/89/563264189.db2.gz ODRMVWDIMUNAAG-UHFFFAOYSA-N 1 0 330.859 3.979 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000000257471 563267907 /nfs/dbraw/zinc/26/79/07/563267907.db2.gz KYMDWKGHAZIHNA-CHWSQXEVSA-N 1 0 339.277 3.756 50 0 in-vitro EHAARO C[NH+]1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000000279691 563271542 /nfs/dbraw/zinc/27/15/42/563271542.db2.gz DMAWCJBZVSQYGX-UHFFFAOYSA-N 1 0 344.871 3.764 50 0 EHAARO COCCC[NH2+]CCOc1ccc2ccccc2c1Br ZINC000002510389 563434942 /nfs/dbraw/zinc/43/49/42/563434942.db2.gz GSJWGCDVVCKFOY-UHFFFAOYSA-N 1 0 338.245 3.607 50 0 EHAARO COc1ccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000002735182 563447737 /nfs/dbraw/zinc/44/77/37/563447737.db2.gz FVVYDDTWWYGXML-UHFFFAOYSA-N 1 0 336.479 3.718 50 0 EHAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004981215 563517040 /nfs/dbraw/zinc/51/70/40/563517040.db2.gz PYAZUZXYRQWQLD-QGZVFWFLSA-N 1 0 342.458 3.978 50 0 EHAARO CCCC[NH2+]C[C@H]1COc2ccc(OCc3ccccc3)cc2C1=O ZINC000005590936 563541475 /nfs/dbraw/zinc/54/14/75/563541475.db2.gz VTKRKYXRTYRMHI-KRWDZBQOSA-N 1 0 339.435 3.847 50 0 EHAARO Cc1nnc([C@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000071902482 563555042 /nfs/dbraw/zinc/55/50/42/563555042.db2.gz BEPPSISHVIQAJU-GJZGRUSLSA-N 1 0 328.460 3.603 50 0 EHAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000006882410 563590563 /nfs/dbraw/zinc/59/05/63/563590563.db2.gz JVPGTQJFFQIXDM-UHFFFAOYSA-N 1 0 332.488 3.793 50 0 EHAARO CCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000007262334 563598635 /nfs/dbraw/zinc/59/86/35/563598635.db2.gz RGHFHWLMZPGAHD-UHFFFAOYSA-N 1 0 337.055 3.720 50 0 EHAARO CCn1ccnc1C[N@@H+]1CCC[C@@H](CCc2ccc(OC)cc2)C1 ZINC000012445587 563661178 /nfs/dbraw/zinc/66/11/78/563661178.db2.gz VDAGUOTXSRDZCI-SFHVURJKSA-N 1 0 327.472 3.756 50 0 EHAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000012575571 563663437 /nfs/dbraw/zinc/66/34/37/563663437.db2.gz NNVICDMGILPLAX-GOSISDBHSA-N 1 0 342.414 3.673 50 0 EHAARO C[NH+](C)[C@H](CNC(=S)NC(C)(C)CC(C)(C)C)c1ccccc1 ZINC000032639075 563670572 /nfs/dbraw/zinc/67/05/72/563670572.db2.gz BHSRQIBMHXBRMF-MRXNPFEDSA-N 1 0 335.561 3.968 50 0 EHAARO CCc1ccc([C@H](CNC(=O)c2cccc3ncccc32)[NH+](C)C)cc1 ZINC000032734336 563722287 /nfs/dbraw/zinc/72/22/87/563722287.db2.gz LTRIYXIZFKFTQQ-NRFANRHFSA-N 1 0 347.462 3.830 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2cc(C(C)=O)ccc2OC)cc1F ZINC000032806020 563741057 /nfs/dbraw/zinc/74/10/57/563741057.db2.gz LEJHESMGHRLDJS-LBPRGKRZSA-N 1 0 331.387 3.896 50 0 EHAARO COc1ccc(-c2nnc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)cc1 ZINC000014134638 563743542 /nfs/dbraw/zinc/74/35/42/563743542.db2.gz SEPQJKVRBNSUAS-UHFFFAOYSA-N 1 0 339.439 3.804 50 0 EHAARO CC(C)(C)[NH2+]CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000014242236 563754266 /nfs/dbraw/zinc/75/42/66/563754266.db2.gz XGSXTXXXGKGQOH-UHFFFAOYSA-N 1 0 328.441 3.618 50 0 EHAARO CC(C)C[N@@H+]1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014993493 563771038 /nfs/dbraw/zinc/77/10/38/563771038.db2.gz VPCYTSWLRFLBDO-KRWDZBQOSA-N 1 0 344.528 3.943 50 0 EHAARO CC(C)[NH+]1CCC(NCc2cccnc2Oc2ccccc2)CC1 ZINC000015064550 563774700 /nfs/dbraw/zinc/77/47/00/563774700.db2.gz FDDHMENOTCBNOB-UHFFFAOYSA-N 1 0 325.456 3.836 50 0 EHAARO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CCOCC2)cc1C ZINC000015075343 563776459 /nfs/dbraw/zinc/77/64/59/563776459.db2.gz KGTPTEIKPZVKQT-IBGZPJMESA-N 1 0 325.456 3.635 50 0 EHAARO Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000016346537 563809348 /nfs/dbraw/zinc/80/93/48/563809348.db2.gz MVVPLCOKTSAVMW-KMYSJOAASA-N 1 0 346.540 3.962 50 0 EHAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(O)c1 ZINC000024181822 563869661 /nfs/dbraw/zinc/86/96/61/563869661.db2.gz LDVPHVNWYZFALN-UHFFFAOYSA-N 1 0 338.451 3.617 50 0 EHAARO O=C(CC[N@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1F ZINC000025680543 563887381 /nfs/dbraw/zinc/88/73/81/563887381.db2.gz VSTWBRDBNYYYCJ-UHFFFAOYSA-N 1 0 340.398 3.649 50 0 EHAARO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000070009452 563896218 /nfs/dbraw/zinc/89/62/18/563896218.db2.gz KZAZJMZCJUEOIO-QAPCUYQASA-N 1 0 341.455 3.713 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)NCC1(c2ccccc2)CC1 ZINC000072284968 563906388 /nfs/dbraw/zinc/90/63/88/563906388.db2.gz NCHWXQHXASSVKG-NRFANRHFSA-N 1 0 338.495 3.657 50 0 EHAARO Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cccc(Nc2cc[nH+]cc2)c1 ZINC000072289388 563908731 /nfs/dbraw/zinc/90/87/31/563908731.db2.gz VDXHLRCQCOYXPQ-ZDUSSCGKSA-N 1 0 349.438 3.667 50 0 EHAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000072298480 563912416 /nfs/dbraw/zinc/91/24/16/563912416.db2.gz NIAMEHDFPQNUGS-MRXNPFEDSA-N 1 0 325.412 3.825 50 0 EHAARO c1ccc2nc(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)ccc2c1 ZINC000177586768 563916281 /nfs/dbraw/zinc/91/62/81/563916281.db2.gz FTRIRWCBZOYNLB-HXUWFJFHSA-N 1 0 340.467 3.785 50 0 EHAARO COc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc2c1OCO2 ZINC000006667470 563919258 /nfs/dbraw/zinc/91/92/58/563919258.db2.gz BBUFYSDNZJOZFF-UHFFFAOYSA-N 1 0 341.382 3.852 50 0 EHAARO Cc1cccc2c(=O)n(CC[NH+]3CCC(c4ccccc4)CC3)cnc12 ZINC000043000151 563925101 /nfs/dbraw/zinc/92/51/01/563925101.db2.gz JTTICDWPSSKHTO-UHFFFAOYSA-N 1 0 347.462 3.585 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2nccc3ccccc32)[NH+](C)C)cc1 ZINC000060322204 563928779 /nfs/dbraw/zinc/92/87/79/563928779.db2.gz FOJBWJFAGKXOLC-LJQANCHMSA-N 1 0 333.435 3.576 50 0 EHAARO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(F)cc1F ZINC000058245045 563940655 /nfs/dbraw/zinc/94/06/55/563940655.db2.gz BGCXXMPRVVYPAV-UHFFFAOYSA-N 1 0 333.382 3.690 50 0 EHAARO Cc1nc(C)c([C@@H](C)NC(=O)c2cccc(C[NH+]3CCCC3)c2)s1 ZINC000058282194 563941535 /nfs/dbraw/zinc/94/15/35/563941535.db2.gz AAHQPDWZUQNMCK-CQSZACIVSA-N 1 0 343.496 3.847 50 0 EHAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC=CCC1 ZINC000058290840 563941876 /nfs/dbraw/zinc/94/18/76/563941876.db2.gz YEVFSMAMLXTJHF-INIZCTEOSA-N 1 0 330.497 3.839 50 0 EHAARO O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)N1CCCc2ccccc21 ZINC000058420846 563945838 /nfs/dbraw/zinc/94/58/38/563945838.db2.gz UGNANZMNDFQOFQ-LJQANCHMSA-N 1 0 336.435 3.509 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccco1 ZINC000060156843 563949790 /nfs/dbraw/zinc/94/97/90/563949790.db2.gz GAYFTOUMVJCLNT-AWEZNQCLSA-N 1 0 338.810 3.885 50 0 EHAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000096477568 563955049 /nfs/dbraw/zinc/95/50/49/563955049.db2.gz HOFBVHLQYWJKSC-OAHLLOKOSA-N 1 0 327.424 3.900 50 0 EHAARO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000096477651 563955060 /nfs/dbraw/zinc/95/50/60/563955060.db2.gz XIVPPVLLTLKFDS-ZDUSSCGKSA-N 1 0 339.549 3.510 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H]1CCOC1 ZINC000096496289 563955861 /nfs/dbraw/zinc/95/58/61/563955861.db2.gz GUOJJGJMDJPFOF-YPMHNXCESA-N 1 0 335.245 3.512 50 0 EHAARO CC(C)=Cc1c(-c2ccccc2)ncn1C[C@@H]1CCC[N@H+](CCO)C1 ZINC000065386647 563959322 /nfs/dbraw/zinc/95/93/22/563959322.db2.gz BYSIVQNUQVTYLQ-GOSISDBHSA-N 1 0 339.483 3.678 50 0 EHAARO C[C@@H](c1cccc(-c2nc3ccccc3n2CCO)c1)[NH+]1CCCC1 ZINC000065397470 563959766 /nfs/dbraw/zinc/95/97/66/563959766.db2.gz WDCMHIDYIOLHBM-INIZCTEOSA-N 1 0 335.451 3.852 50 0 EHAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3ccsc3n2)CC(C)C)cc1 ZINC000033068943 563961879 /nfs/dbraw/zinc/96/18/79/563961879.db2.gz DJULAVPKSBMSNT-UHFFFAOYSA-N 1 0 341.480 3.723 50 0 EHAARO CCc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000071747176 563965019 /nfs/dbraw/zinc/96/50/19/563965019.db2.gz HHWQQXRZFKOKJH-YPAWHYETSA-N 1 0 336.479 3.904 50 0 EHAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3ccsc3)nc2)C1 ZINC000071774577 563965726 /nfs/dbraw/zinc/96/57/26/563965726.db2.gz KTMNGPZNSBSYGT-HNNXBMFYSA-N 1 0 343.496 3.518 50 0 EHAARO Cc1cc(C)c2nc(C)cc(C(=O)NCCC[NH+]3CCCCC3)c2c1 ZINC000033252878 563966113 /nfs/dbraw/zinc/96/61/13/563966113.db2.gz YSHXBRDFGBTWQU-UHFFFAOYSA-N 1 0 339.483 3.766 50 0 EHAARO C[N@H+](Cc1ccc(-c2ccccc2Cl)o1)CC1(CO)CCOCC1 ZINC000072161023 563966322 /nfs/dbraw/zinc/96/63/22/563966322.db2.gz UXVWUJTTZABENO-UHFFFAOYSA-N 1 0 349.858 3.821 50 0 EHAARO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccc(NC(=O)NC2CC2)cc1 ZINC000097033128 563966863 /nfs/dbraw/zinc/96/68/63/563966863.db2.gz LOUQPIOYAPFJRK-LBPRGKRZSA-N 1 0 344.846 3.870 50 0 EHAARO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c(Br)c1 ZINC000097034583 563966924 /nfs/dbraw/zinc/96/69/24/563966924.db2.gz SGKAVXBGEIDYGJ-GRYCIOLGSA-N 1 0 328.250 3.533 50 0 EHAARO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCCNc2cc[nH+]cc2)cc1 ZINC000097097355 563967467 /nfs/dbraw/zinc/96/74/67/563967467.db2.gz ADBBKOAATLLISX-PMACEKPBSA-N 1 0 337.467 3.927 50 0 EHAARO c1c2ccccc2oc1-c1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000097103472 563967593 /nfs/dbraw/zinc/96/75/93/563967593.db2.gz YJGZJQZROKUVII-HNNXBMFYSA-N 1 0 339.395 3.799 50 0 EHAARO OC[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000097143586 563968247 /nfs/dbraw/zinc/96/82/47/563968247.db2.gz UFQWGXKSRFFOTG-GPJFCIFZSA-N 1 0 345.870 3.793 50 0 EHAARO [NH3+]CCc1cccc(CN2CCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000077454169 563969789 /nfs/dbraw/zinc/96/97/89/563969789.db2.gz CGQJZNDDLJLMSQ-IBGZPJMESA-N 1 0 338.430 3.540 50 0 EHAARO COc1ccccc1/C=C/C[N@@H+]1CCCC[C@@H]1CCn1ccnc1 ZINC000077516446 563970149 /nfs/dbraw/zinc/97/01/49/563970149.db2.gz VDGJVXROOXVNCZ-ZLQZBKBYSA-N 1 0 325.456 3.850 50 0 EHAARO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(F)cn1 ZINC000097038223 563971325 /nfs/dbraw/zinc/97/13/25/563971325.db2.gz YQBXGWRJPPBJGS-OAHLLOKOSA-N 1 0 343.446 3.598 50 0 EHAARO CC(C)C[N@@H+]1CCn2nc(CNc3nc4ccccc4s3)cc2C1 ZINC000082099104 563972225 /nfs/dbraw/zinc/97/22/25/563972225.db2.gz ULBJMHXHHCFVTC-UHFFFAOYSA-N 1 0 341.484 3.577 50 0 EHAARO Cc1ccc(C)c(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)c1 ZINC000082106881 563972291 /nfs/dbraw/zinc/97/22/91/563972291.db2.gz ALTVLRJYLHTWNX-UHFFFAOYSA-N 1 0 335.451 3.702 50 0 EHAARO Fc1ccccc1C1(C[NH2+][C@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000082121283 563972475 /nfs/dbraw/zinc/97/24/75/563972475.db2.gz AJNWBDXHCGGTSK-KRWDZBQOSA-N 1 0 347.474 3.955 50 0 EHAARO C/C=C(\C)C[NH+]1CCC2(CC(=O)N(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000091270524 563975199 /nfs/dbraw/zinc/97/51/99/563975199.db2.gz KERSDTWMUONQAC-CRKCGEKBSA-N 1 0 348.437 3.746 50 0 EHAARO COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000011470897 563976305 /nfs/dbraw/zinc/97/63/05/563976305.db2.gz XNEZVCYXYIRWQC-APWZRJJASA-N 1 0 342.483 3.629 50 0 EHAARO O=C1CCCN1CC[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095496911 563976994 /nfs/dbraw/zinc/97/69/94/563976994.db2.gz BAQFHASDPKSJID-UHFFFAOYSA-N 1 0 348.490 3.691 50 0 EHAARO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000096150112 563979650 /nfs/dbraw/zinc/97/96/50/563979650.db2.gz YYLODJVQDUJGIQ-MRXNPFEDSA-N 1 0 342.270 3.943 50 0 EHAARO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000000317686 563991017 /nfs/dbraw/zinc/99/10/17/563991017.db2.gz CHVLRNSIKRXVML-UHFFFAOYSA-N 1 0 334.891 3.811 50 0 EHAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000000317690 563991025 /nfs/dbraw/zinc/99/10/25/563991025.db2.gz OLQBSHXCJHDPSY-UHFFFAOYSA-N 1 0 344.499 3.556 50 0 EHAARO CC[NH+](CC)CCSCC(=O)Nc1cnccc1-c1ccccc1 ZINC000408516506 563992838 /nfs/dbraw/zinc/99/28/38/563992838.db2.gz APBYVTTXACMSQJ-UHFFFAOYSA-N 1 0 343.496 3.762 50 0 EHAARO [NH3+]CC1CCN(C(=O)c2ccc(Oc3ccc(F)cc3F)cc2)CC1 ZINC000237816904 563993904 /nfs/dbraw/zinc/99/39/04/563993904.db2.gz NLXVBLDNRRLBTL-UHFFFAOYSA-N 1 0 346.377 3.568 50 0 EHAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000000317634 564000165 /nfs/dbraw/zinc/00/01/65/564000165.db2.gz YEZGXFZZFFUAGP-GOSISDBHSA-N 1 0 328.500 3.590 50 0 EHAARO CCCC[NH+](CCCC)C[C@@H](O)Cn1cc(C=O)c2ccccc21 ZINC000005520905 564005041 /nfs/dbraw/zinc/00/50/41/564005041.db2.gz PZVMQNZYQAUSBR-GOSISDBHSA-N 1 0 330.472 3.717 50 0 EHAARO C[C@H](CC[C@H]1CC1(Cl)Cl)[NH2+]Cc1nncn1-c1ccccc1 ZINC000583650747 564018280 /nfs/dbraw/zinc/01/82/80/564018280.db2.gz AGGRYYFKNADSCU-OLZOCXBDSA-N 1 0 339.270 3.719 50 0 EHAARO CCOc1cc(Cl)ccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000102317008 564019954 /nfs/dbraw/zinc/01/99/54/564019954.db2.gz LIIKCQMRBXOUCJ-UHFFFAOYSA-N 1 0 349.862 3.607 50 0 EHAARO O=C1N(Cc2ccccc2)c2ccccc2[C@]12CC[NH2+]C21CCCC1 ZINC000000518809 564020501 /nfs/dbraw/zinc/02/05/01/564020501.db2.gz FQKYLKQXEPLWBG-JOCHJYFZSA-N 1 0 332.447 3.777 50 0 biogenic EHAARO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2C)c1 ZINC000106862853 564026703 /nfs/dbraw/zinc/02/67/03/564026703.db2.gz LVHQGMXFEAFZEM-WOJBJXKFSA-N 1 0 325.452 3.880 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000107347575 564026900 /nfs/dbraw/zinc/02/69/00/564026900.db2.gz AZVIFFSLBDTHGX-FGZHOGPDSA-N 1 0 348.490 3.915 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)SC)c2)C1 ZINC000107358499 564026910 /nfs/dbraw/zinc/02/69/10/564026910.db2.gz ZFQDKACNDCLRSY-GJZGRUSLSA-N 1 0 335.517 3.916 50 0 EHAARO O=C(CCCc1c[nH]c2ccccc12)N1CC[NH+](C2CCCC2)CC1 ZINC000045083766 564028101 /nfs/dbraw/zinc/02/81/01/564028101.db2.gz FVATWKKJIFSRGF-UHFFFAOYSA-N 1 0 339.483 3.577 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 ZINC000048050777 564029876 /nfs/dbraw/zinc/02/98/76/564029876.db2.gz LKMZLBAHAIVFBB-INIZCTEOSA-N 1 0 335.810 3.904 50 0 EHAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000048681920 564032048 /nfs/dbraw/zinc/03/20/48/564032048.db2.gz FYGKBFQIFVTGBN-INIZCTEOSA-N 1 0 346.906 3.561 50 0 EHAARO COc1cc([C@@H](C)[NH2+]Cc2ccccn2)ccc1OCc1ccncc1 ZINC000048746823 564032124 /nfs/dbraw/zinc/03/21/24/564032124.db2.gz MLJTYRKBJOOWBN-MRXNPFEDSA-N 1 0 349.434 3.915 50 0 EHAARO O=C(NCCCC[NH+]1CCCCCC1)c1ccccc1OC(F)F ZINC000221377681 564036212 /nfs/dbraw/zinc/03/62/12/564036212.db2.gz WCLZHJYPYVBIKE-UHFFFAOYSA-N 1 0 340.414 3.674 50 0 EHAARO Clc1nc2ccccc2cc1C[NH+]1CCC(n2cccn2)CC1 ZINC000225554388 564047799 /nfs/dbraw/zinc/04/77/99/564047799.db2.gz FQKHFYYYOARGDX-UHFFFAOYSA-N 1 0 326.831 3.922 50 0 EHAARO CC(C)Cn1cncc1C[N@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244858661 564052316 /nfs/dbraw/zinc/05/23/16/564052316.db2.gz VPSYGXWTLDLUCK-UHFFFAOYSA-N 1 0 345.878 3.743 50 0 EHAARO CN(Cc1cc(C2CC2)n[nH]1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000244811462 564052328 /nfs/dbraw/zinc/05/23/28/564052328.db2.gz SDEJPNYIXBOPHT-SFHVURJKSA-N 1 0 338.499 3.631 50 0 EHAARO COc1ccc([C@](C)(O)[C@@H](c2ccccc2)[C@H]2CCCC[NH2+]2)cc1 ZINC000257356293 564055916 /nfs/dbraw/zinc/05/59/16/564055916.db2.gz HGOAFHCXOPDXNZ-HKBOAZHASA-N 1 0 325.452 3.829 50 0 EHAARO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCc2ccccc21 ZINC000063492128 564057626 /nfs/dbraw/zinc/05/76/26/564057626.db2.gz DWAZYBOAAFGMJH-SFHVURJKSA-N 1 0 338.455 3.556 50 0 EHAARO Cc1cccnc1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299755115 564060702 /nfs/dbraw/zinc/06/07/02/564060702.db2.gz ADUNCUROPYDPHR-TYPHKJRUSA-N 1 0 349.478 3.574 50 0 EHAARO O=C1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CCN1CC1CC1 ZINC000534589508 564061192 /nfs/dbraw/zinc/06/11/92/564061192.db2.gz KROCWNZIJYGNBF-KRWDZBQOSA-N 1 0 332.875 3.710 50 0 EHAARO CCCC[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccnc1 ZINC000534651538 564061391 /nfs/dbraw/zinc/06/13/91/564061391.db2.gz YWCMGIUUCOIASC-LJQANCHMSA-N 1 0 344.503 3.583 50 0 EHAARO CC[C@H](CNC(=O)N(Cc1ccc(C)s1)C1CCCC1)[NH+](C)C ZINC000534660331 564061474 /nfs/dbraw/zinc/06/14/74/564061474.db2.gz HPCSJTLEHDXDLO-OAHLLOKOSA-N 1 0 337.533 3.851 50 0 EHAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccccc3Cl)C2)c1 ZINC000083973554 564065372 /nfs/dbraw/zinc/06/53/72/564065372.db2.gz YBXWJFSAPASWKY-HNNXBMFYSA-N 1 0 330.859 3.965 50 0 EHAARO CCSC1(C[NH2+]Cc2cnc(C)n2-c2ccccc2)CCOCC1 ZINC000084046833 564065873 /nfs/dbraw/zinc/06/58/73/564065873.db2.gz HCCAYGIOLYGJEN-UHFFFAOYSA-N 1 0 345.512 3.573 50 0 EHAARO CN1CC[C@H](C[NH2+]C2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136196972 564066366 /nfs/dbraw/zinc/06/63/66/564066366.db2.gz CTHBCLQYGKXSJR-DYVFJYSZSA-N 1 0 342.911 3.957 50 0 EHAARO Cc1cccc(C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000084210658 564067431 /nfs/dbraw/zinc/06/74/31/564067431.db2.gz BCHUMQSECDDCJG-LJQANCHMSA-N 1 0 343.515 3.542 50 0 EHAARO Brc1ccc(C2(C[NH2+]Cc3cc[nH]c3)CCOCC2)cc1 ZINC000084393255 564068016 /nfs/dbraw/zinc/06/80/16/564068016.db2.gz RQQWSWHCUOAXOF-UHFFFAOYSA-N 1 0 349.272 3.615 50 0 EHAARO O=C(c1ccc(OC2CCCC2)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000084387800 564068018 /nfs/dbraw/zinc/06/80/18/564068018.db2.gz MBBUDACNMAIOFN-SFHVURJKSA-N 1 0 342.483 3.708 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000084736406 564069955 /nfs/dbraw/zinc/06/99/55/564069955.db2.gz AAXHQUOQGCYQHL-CJNGLKHVSA-N 1 0 349.544 3.567 50 0 EHAARO Cc1ccccc1NC(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000085473281 564073499 /nfs/dbraw/zinc/07/34/99/564073499.db2.gz DIWYIBYFHWZUFE-KRWDZBQOSA-N 1 0 347.528 3.820 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1O ZINC000015837412 564076517 /nfs/dbraw/zinc/07/65/17/564076517.db2.gz WSJQLWWWWYQZIU-INIZCTEOSA-N 1 0 331.387 3.886 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000090406862 564084386 /nfs/dbraw/zinc/08/43/86/564084386.db2.gz ZKVNZLAHTGEAMH-JSGCOSHPSA-N 1 0 339.505 3.749 50 0 EHAARO CCCCCOc1ccc(/C=C/C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000006398530 564085529 /nfs/dbraw/zinc/08/55/29/564085529.db2.gz WJTBRIFMEMYGQU-FMIVXFBMSA-N 1 0 344.499 3.869 50 0 EHAARO Cc1cn2c(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)c(C)nc2s1 ZINC000091958841 564088809 /nfs/dbraw/zinc/08/88/09/564088809.db2.gz IJCMEEVLYUYNTH-ZBFHGGJFSA-N 1 0 345.468 3.694 50 0 EHAARO COC(=O)Nc1ccc(NCc2nccn2Cc2ccccc2)cc1 ZINC000089401154 564089998 /nfs/dbraw/zinc/08/99/98/564089998.db2.gz FRJVJKLIHFFYJE-UHFFFAOYSA-N 1 0 336.395 3.722 50 0 EHAARO Cc1cc(Cl)cc2c1N(C(=O)c1cccc3nccn31)CCC2 ZINC000089587411 564092990 /nfs/dbraw/zinc/09/29/90/564092990.db2.gz FHDXOHKKMDEKEF-UHFFFAOYSA-N 1 0 325.799 3.889 50 0 EHAARO CCc1nc(N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)no1 ZINC000426399358 564093592 /nfs/dbraw/zinc/09/35/92/564093592.db2.gz FZPFFUOWWLYCLN-FQEVSTJZSA-N 1 0 346.519 3.895 50 0 EHAARO Cc1ccc(NC(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)c2cccnc12 ZINC000426430674 564093714 /nfs/dbraw/zinc/09/37/14/564093714.db2.gz JSMOPOWMPITKNC-HNNXBMFYSA-N 1 0 338.455 3.634 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(C)o3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426530632 564094024 /nfs/dbraw/zinc/09/40/24/564094024.db2.gz WMBCSVUOWWINNX-IMFGXOCKSA-N 1 0 342.439 3.574 50 0 EHAARO C[C@H](NC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000064818046 564096505 /nfs/dbraw/zinc/09/65/05/564096505.db2.gz ZDOBBRSYXRTGJP-INIZCTEOSA-N 1 0 338.426 3.835 50 0 EHAARO CCCCC[NH2+]C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000006941289 564101960 /nfs/dbraw/zinc/10/19/60/564101960.db2.gz NBWIAOABMNNHAN-FQEVSTJZSA-N 1 0 327.468 3.933 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000065154916 564102053 /nfs/dbraw/zinc/10/20/53/564102053.db2.gz PCLULZNLHBGBRP-UHFFFAOYSA-N 1 0 346.478 3.811 50 0 EHAARO C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)C(c1ccccc1)c1ccccc1 ZINC000170057835 564105144 /nfs/dbraw/zinc/10/51/44/564105144.db2.gz GXQDNGGNNMQYFR-PXNSSMCTSA-N 1 0 348.490 3.713 50 0 EHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc(C)cc(C)c2)CC1 ZINC000007268360 564106184 /nfs/dbraw/zinc/10/61/84/564106184.db2.gz UTSHGQDKXOWJMU-UHFFFAOYSA-N 1 0 337.467 3.698 50 0 EHAARO Cc1n[nH]cc1C[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000065549630 564107364 /nfs/dbraw/zinc/10/73/64/564107364.db2.gz NOGJLCCASDHNAE-UWVGGRQHSA-N 1 0 329.288 3.717 50 0 EHAARO CC[N@@H+]1CCCN(C(=O)Nc2ccccc2SC(F)F)CC1 ZINC000065610064 564108279 /nfs/dbraw/zinc/10/82/79/564108279.db2.gz GFZOKYFDTXKQBG-UHFFFAOYSA-N 1 0 329.416 3.561 50 0 EHAARO COc1cccc(NC(=O)C[N@H+](C)Cc2cccc3ccccc32)c1 ZINC000007456921 564108676 /nfs/dbraw/zinc/10/86/76/564108676.db2.gz FDDRKLQNZULXLH-UHFFFAOYSA-N 1 0 334.419 3.919 50 0 EHAARO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000170594023 564108961 /nfs/dbraw/zinc/10/89/61/564108961.db2.gz FIGOXULFSBHRMH-RRQGHBQHSA-N 1 0 328.481 3.630 50 0 EHAARO C[C@@H](NC(=O)CCc1cc(F)ccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000170597979 564109173 /nfs/dbraw/zinc/10/91/73/564109173.db2.gz XSYMRUPHKAAUKN-JLTOFOAXSA-N 1 0 346.421 3.705 50 0 EHAARO Cc1[nH+]c2cc(NC3CCN(C(=O)OCC(C)C)CC3)ccc2n1C ZINC000151974707 564111894 /nfs/dbraw/zinc/11/18/94/564111894.db2.gz XFOAMXXVUBBOKK-UHFFFAOYSA-N 1 0 344.459 3.551 50 0 EHAARO Cc1csc(CNc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)n1 ZINC000089705635 564113230 /nfs/dbraw/zinc/11/32/30/564113230.db2.gz LDWHLPISLFWEJQ-GASCZTMLSA-N 1 0 331.485 3.673 50 0 EHAARO COC(=O)c1ccc([C@H](C)[N@H+](C)CCOc2ccc(Cl)cc2)o1 ZINC000089905010 564115048 /nfs/dbraw/zinc/11/50/48/564115048.db2.gz OKAYXLBMATWTGZ-LBPRGKRZSA-N 1 0 337.803 3.791 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000089948844 564115773 /nfs/dbraw/zinc/11/57/73/564115773.db2.gz UMYKZNGJNGDQOQ-HNAYVOBHSA-N 1 0 340.467 3.868 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000089949109 564115806 /nfs/dbraw/zinc/11/58/06/564115806.db2.gz OOORNHGEQDVECP-CJNGLKHVSA-N 1 0 349.544 3.567 50 0 EHAARO CC[N@H+](CC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1)C1CC1 ZINC000089960952 564115936 /nfs/dbraw/zinc/11/59/36/564115936.db2.gz BUEZTFJCDVISBH-KRWDZBQOSA-N 1 0 336.479 3.808 50 0 EHAARO CCCOc1ccc(OCCOCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000002823747 564117010 /nfs/dbraw/zinc/11/70/10/564117010.db2.gz HPPAFXHZWSOYJV-ROUUACIJSA-N 1 0 335.488 3.849 50 0 EHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000237623256 564117755 /nfs/dbraw/zinc/11/77/55/564117755.db2.gz VMGGYTPTGPIHIK-XHDPSFHLSA-N 1 0 348.368 3.723 50 0 EHAARO COc1ccccc1[C@@H](C)NC(=O)CN1CCc2sccc2[C@H]1C ZINC000252444213 564118466 /nfs/dbraw/zinc/11/84/66/564118466.db2.gz SJHNVOVXDVJUNX-ZIAGYGMSSA-N 1 0 344.480 3.553 50 0 EHAARO C[N@H+](CCN)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252461629 564118710 /nfs/dbraw/zinc/11/87/10/564118710.db2.gz NDAWUPLIPPNPGL-TUGIDLRSSA-N 1 0 348.575 3.649 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H](C)c1ccsc1 ZINC000252511725 564120112 /nfs/dbraw/zinc/12/01/12/564120112.db2.gz KCLQVFQRRTZEIZ-UCLAIMLFSA-N 1 0 340.492 3.995 50 0 EHAARO O=C(NCc1ccccc1)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195552548 564123707 /nfs/dbraw/zinc/12/37/07/564123707.db2.gz RQMYPROBRWNRTK-LEWJYISDSA-N 1 0 349.478 3.655 50 0 EHAARO c1ccc([C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c2ccccn2)cc1 ZINC000195553820 564123758 /nfs/dbraw/zinc/12/37/58/564123758.db2.gz OFYIVWCVEFEQNH-HOJAQTOUSA-N 1 0 340.492 3.815 50 0 EHAARO CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC(F)F)CC1 ZINC000253419194 564130950 /nfs/dbraw/zinc/13/09/50/564130950.db2.gz FHJDYWVBVVDADM-UHFFFAOYSA-N 1 0 344.833 3.666 50 0 EHAARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2cc(O)ccc2o1 ZINC000002346814 564132508 /nfs/dbraw/zinc/13/25/08/564132508.db2.gz SGWRQAYAKUJHOL-UHFFFAOYSA-N 1 0 349.430 3.953 50 0 biogenic EHAARO COC(=O)C1CCC([NH2+][C@@H](C)c2ccc(-c3cncnc3)cc2)CC1 ZINC000225424118 564134575 /nfs/dbraw/zinc/13/45/75/564134575.db2.gz ZKVBGFGNFJSYEA-STJZUHDESA-N 1 0 339.439 3.526 50 0 EHAARO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000078624102 564136453 /nfs/dbraw/zinc/13/64/53/564136453.db2.gz LOMCRVKXZQJHFH-UONOGXRCSA-N 1 0 343.393 3.786 50 0 EHAARO CN(CCC(=O)Nc1cccc(N2CCCCC2)c1)c1cc[nH+]cc1 ZINC000095468193 564141141 /nfs/dbraw/zinc/14/11/41/564141141.db2.gz JMQPKLRMLRXNMP-UHFFFAOYSA-N 1 0 338.455 3.537 50 0 EHAARO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000095941280 564142048 /nfs/dbraw/zinc/14/20/48/564142048.db2.gz ZZHNKVRQLLGNSS-BBRMVZONSA-N 1 0 333.863 3.796 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000095971525 564143402 /nfs/dbraw/zinc/14/34/02/564143402.db2.gz DUEXNAPTRLTRLA-GJZGRUSLSA-N 1 0 330.378 3.817 50 0 EHAARO CCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C(C)C ZINC000095989757 564144084 /nfs/dbraw/zinc/14/40/84/564144084.db2.gz VMCSRALDQOFPIK-LJQANCHMSA-N 1 0 331.504 3.900 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2)c(C(F)(F)F)c1 ZINC000096403169 564147165 /nfs/dbraw/zinc/14/71/65/564147165.db2.gz MHZMEQYGMPHFEY-UHFFFAOYSA-N 1 0 341.329 3.718 50 0 EHAARO O=C(Nc1ccccn1)C1CC[NH+](CCSc2ccccc2)CC1 ZINC000096410309 564147597 /nfs/dbraw/zinc/14/75/97/564147597.db2.gz UYELANGREHJUIL-UHFFFAOYSA-N 1 0 341.480 3.524 50 0 EHAARO Cn1cc(C[NH2+]Cc2ccccc2CO)c(-c2cc3ccccc3o2)n1 ZINC000097160048 564149499 /nfs/dbraw/zinc/14/94/99/564149499.db2.gz LGGAJSFZNSHJNI-UHFFFAOYSA-N 1 0 347.418 3.615 50 0 EHAARO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028235237 564150792 /nfs/dbraw/zinc/15/07/92/564150792.db2.gz VGQRCMROXSYUNO-OXQOHEQNSA-N 1 0 338.451 3.537 50 0 EHAARO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)c1 ZINC000057024236 564153235 /nfs/dbraw/zinc/15/32/35/564153235.db2.gz LICCBYYCFOWXFY-WOJBJXKFSA-N 1 0 338.451 3.752 50 0 EHAARO O=C(NCCCn1ccc2ccccc21)C1([NH+]2CCCC2)CCCC1 ZINC000670471487 564165327 /nfs/dbraw/zinc/16/53/27/564165327.db2.gz AFLRJKJTNKUBEJ-UHFFFAOYSA-N 1 0 339.483 3.556 50 0 EHAARO CC(C)COc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000008673934 564166305 /nfs/dbraw/zinc/16/63/05/564166305.db2.gz AJQCHDLBIGNLPM-UHFFFAOYSA-N 1 0 332.488 3.716 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000069772682 564172045 /nfs/dbraw/zinc/17/20/45/564172045.db2.gz BEXYYPXKGPNOHW-MOPGFXCFSA-N 1 0 349.478 3.935 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069894945 564172693 /nfs/dbraw/zinc/17/26/93/564172693.db2.gz AAZAVONODRBHGA-QXSJWSMHSA-N 1 0 346.437 3.830 50 0 EHAARO O=C(C[C@@H]1C=CCC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400331 564173843 /nfs/dbraw/zinc/17/38/43/564173843.db2.gz HLJGNAQVJRBLHQ-CRAIPNDOSA-N 1 0 332.875 3.949 50 0 EHAARO Cc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000070928895 564174551 /nfs/dbraw/zinc/17/45/51/564174551.db2.gz IFRSUKFCODRXRF-UHFFFAOYSA-N 1 0 338.455 3.737 50 0 EHAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000169781503 1032645503 /nfs/dbraw/zinc/64/55/03/1032645503.db2.gz OJOUWIQOPXJXGT-OAHLLOKOSA-N 1 0 338.854 3.560 50 0 EHAARO CCC[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cccnc1 ZINC000293846524 1017757101 /nfs/dbraw/zinc/75/71/01/1017757101.db2.gz YDAWVBTULGWDTC-FQEVSTJZSA-N 1 0 325.456 3.549 50 0 EHAARO Cc1cc(C[NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)n(C)n1 ZINC000284145424 1018165228 /nfs/dbraw/zinc/16/52/28/1018165228.db2.gz DJZOUZBVGBOJID-UHFFFAOYSA-N 1 0 341.499 3.772 50 0 EHAARO CC1(C)C[C@@H]([NH2+]Cc2cccc(OCc3ccccn3)c2)CCO1 ZINC000160495831 1019348580 /nfs/dbraw/zinc/34/85/80/1019348580.db2.gz TXKMFSZIFCYCLM-KRWDZBQOSA-N 1 0 326.440 3.708 50 0 EHAARO CC1(C)C[C@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000160622946 1019981901 /nfs/dbraw/zinc/98/19/01/1019981901.db2.gz RHMDKYKSIBBINF-GOSISDBHSA-N 1 0 326.440 3.708 50 0 EHAARO CCCn1nc(C)c(C[N@H+](CC)Cc2ccc3c(c2)OCO3)c1C ZINC000120025511 1020253749 /nfs/dbraw/zinc/25/37/49/1020253749.db2.gz MJSUUYJTEUNSTA-UHFFFAOYSA-N 1 0 329.444 3.661 50 0 EHAARO FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341988107 1027652447 /nfs/dbraw/zinc/65/24/47/1027652447.db2.gz JLGPFYZEGMNXLY-MRXNPFEDSA-N 1 0 329.362 3.587 50 0 EHAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]C/C(C)=C/c2ccccc2)cn1 ZINC000083843451 1031228727 /nfs/dbraw/zinc/22/87/27/1031228727.db2.gz RCXIICJEUSNGQJ-XBEXFYCLSA-N 1 0 325.456 3.674 50 0 EHAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(F)cc2)c(C)n1O ZINC000136088294 1033406014 /nfs/dbraw/zinc/40/60/14/1033406014.db2.gz WHYZDBKHKFRERZ-UHFFFAOYSA-N 1 0 325.363 3.984 50 0 EHAARO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3ccccn3c2)CC1 ZINC000116066060 1038028221 /nfs/dbraw/zinc/02/82/21/1038028221.db2.gz WQDNFZYLXNASHD-KRWDZBQOSA-N 1 0 347.462 3.895 50 0 EHAARO O=C(c1ccc2ccccc2n1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257195231 1038551450 /nfs/dbraw/zinc/55/14/50/1038551450.db2.gz VRAMUJHROPOFOX-QGZVFWFLSA-N 1 0 337.467 3.573 50 0 EHAARO C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000170871380 1123895252 /nfs/dbraw/zinc/89/52/52/1123895252.db2.gz JQNPENBAWFIKOB-GFCCVEGCSA-N 1 0 340.389 3.757 50 0 EHAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(Cc3cccc4c3OCO4)C2)C1 ZINC000012072616 1129326536 /nfs/dbraw/zinc/32/65/36/1129326536.db2.gz ICZJQRUEDXIZEF-OAQYLSRUSA-N 1 0 344.499 3.749 50 0 EHAARO CC(C)n1cnnc1[C@@H](C)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000822280930 1130979625 /nfs/dbraw/zinc/97/96/25/1130979625.db2.gz MBGIMOIBDJBRBR-CQSZACIVSA-N 1 0 347.894 3.832 50 0 EHAARO C[C@H]1Cc2cc(NC(=O)C3([NH+]4CCCC4)CCCCC3)ccc2O1 ZINC000822512879 1131000534 /nfs/dbraw/zinc/00/05/34/1131000534.db2.gz TXPQAOYRKOCKOZ-HNNXBMFYSA-N 1 0 328.456 3.747 50 0 EHAARO CCCc1cc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)no1 ZINC000823021520 1131038055 /nfs/dbraw/zinc/03/80/55/1131038055.db2.gz AFUNNRUCMQSDAQ-UHFFFAOYSA-N 1 0 327.428 3.865 50 0 EHAARO Cc1cnc([C@H]2CC[N@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575317504 1131541298 /nfs/dbraw/zinc/54/12/98/1131541298.db2.gz LNHZAOQULGGPML-IBGZPJMESA-N 1 0 332.451 3.624 50 0 EHAARO Cc1ccsc1CN(c1nc(CC[NH3+])nc2ccccc21)C1CC1 ZINC000065419159 1132303808 /nfs/dbraw/zinc/30/38/08/1132303808.db2.gz MCTPRUCJPYLIHA-UHFFFAOYSA-N 1 0 338.480 3.670 50 0 EHAARO O=C(CCC1CCCC1)N1CCC2(CC1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000581784298 1132358762 /nfs/dbraw/zinc/35/87/62/1132358762.db2.gz QFJPQWIBWKIMES-LJQANCHMSA-N 1 0 348.531 3.593 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@H](Cn3c(C)cnc3C3CC3)C2)c1 ZINC000581807551 1132369250 /nfs/dbraw/zinc/36/92/50/1132369250.db2.gz ONFOTELXFLLCRH-SFHVURJKSA-N 1 0 339.483 3.990 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000581806880 1132369413 /nfs/dbraw/zinc/36/94/13/1132369413.db2.gz BWFXKEBEXOFVLG-KRWDZBQOSA-N 1 0 329.488 3.888 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000581807898 1132371526 /nfs/dbraw/zinc/37/15/26/1132371526.db2.gz SPUOJSGDYOEICN-GOSISDBHSA-N 1 0 337.467 3.550 50 0 EHAARO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000585117503 1137010313 /nfs/dbraw/zinc/01/03/13/1137010313.db2.gz HZGARZWPIAEOBY-KNESASJNSA-N 1 0 340.448 3.990 50 0 EHAARO COc1cc(Cl)c(C[NH2+]Cc2ccc3nsnc3c2)cc1OC ZINC000952866681 1137483670 /nfs/dbraw/zinc/48/36/70/1137483670.db2.gz DISLCPOZQZNYSN-UHFFFAOYSA-N 1 0 349.843 3.652 50 0 EHAARO CC[C@H]([NH2+]Cc1ccc(OCC(N)=O)c(Cl)c1)c1cccs1 ZINC000952976842 1137484538 /nfs/dbraw/zinc/48/45/38/1137484538.db2.gz UGVOCAKHVUMYEM-ZDUSSCGKSA-N 1 0 338.860 3.507 50 0 EHAARO CC1=C(C[NH2+]C[C@@H](c2ccccn2)N2CCOCC2)C(C)(C)CCC1 ZINC000952974150 1137484565 /nfs/dbraw/zinc/48/45/65/1137484565.db2.gz YNZJNBLFOBRNLC-FQEVSTJZSA-N 1 0 343.515 3.571 50 0 EHAARO Oc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cccc3nonc32)c1 ZINC000952978154 1137484782 /nfs/dbraw/zinc/48/47/82/1137484782.db2.gz PRPFGTLRWTVYAO-KRWDZBQOSA-N 1 0 337.423 3.916 50 0 EHAARO Cn1ccc2cc(C[NH2+][C@@H]3CCCN(Cc4cccc(O)c4)C3)ccc21 ZINC000952967470 1137484982 /nfs/dbraw/zinc/48/49/82/1137484982.db2.gz BLLNTMPIVJAKAG-HXUWFJFHSA-N 1 0 349.478 3.638 50 0 EHAARO CC(=O)NCc1ccc(-c2nc(C3C=CC=CC3=[NH2+])sc2C)s1 ZINC000104808769 1139255568 /nfs/dbraw/zinc/25/55/68/1139255568.db2.gz VAZMOOQKLPMFNW-LAKJNZHXSA-N 1 0 343.477 3.766 50 0 EHAARO O=C(C[NH+]1CCCCC1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000051086176 214076769 /nfs/dbraw/zinc/07/67/69/214076769.db2.gz UCUKFURPHXZMBI-FQEVSTJZSA-N 1 0 340.492 3.708 50 0 EHAARO Cc1c[nH+]ccc1N1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000097717426 219050444 /nfs/dbraw/zinc/05/04/44/219050444.db2.gz KLFZAEYRMXEVSH-IBGZPJMESA-N 1 0 341.455 3.547 50 0 EHAARO CSc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000004700465 210251459 /nfs/dbraw/zinc/25/14/59/210251459.db2.gz FTTVYFSSJRERRN-INIZCTEOSA-N 1 0 346.540 3.879 50 0 EHAARO O=C(c1ccccc1OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC1 ZINC000055052757 214267904 /nfs/dbraw/zinc/26/79/04/214267904.db2.gz HMRWMVSBOXGLPM-PKOBYXMFSA-N 1 0 342.483 3.566 50 0 EHAARO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc2cccc(O)c2n1 ZINC000055120119 214276685 /nfs/dbraw/zinc/27/66/85/214276685.db2.gz IXIBXYATZKOXCQ-UHFFFAOYSA-N 1 0 341.480 3.566 50 0 EHAARO CCCCC(=O)Nc1ccc(C)cc1NC(=O)CCC[NH+]1CCCC1 ZINC000055133574 214277990 /nfs/dbraw/zinc/27/79/90/214277990.db2.gz MQQWMGGCVDZHPJ-UHFFFAOYSA-N 1 0 345.487 3.938 50 0 EHAARO CC[C@]1(C)C[C@@](CC(=O)O[C@@H](C)C[NH+](C)C)(c2ccccc2)CCO1 ZINC000004696772 210250115 /nfs/dbraw/zinc/25/01/15/210250115.db2.gz BQVOKFAZPLBWCA-IOMROCGXSA-N 1 0 347.499 3.787 50 0 EHAARO COc1ccccc1C[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000055171856 214283003 /nfs/dbraw/zinc/28/30/03/214283003.db2.gz CRRZJWRIPASRLR-UHFFFAOYSA-N 1 0 347.418 3.632 50 0 EHAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055360068 214311606 /nfs/dbraw/zinc/31/16/06/214311606.db2.gz UGQVILPQHXJEBL-CQSZACIVSA-N 1 0 328.412 3.620 50 0 EHAARO CCn1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2ccccc21 ZINC000058263304 214518934 /nfs/dbraw/zinc/51/89/34/214518934.db2.gz YWLOKESZBCBASW-UHFFFAOYSA-N 1 0 339.483 3.752 50 0 EHAARO O=C(N[C@H]1CCc2ccccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063333617 214754632 /nfs/dbraw/zinc/75/46/32/214754632.db2.gz XVNFMRBMXURCIZ-FQEVSTJZSA-N 1 0 341.499 3.628 50 0 EHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2sccc2C)N3)C1 ZINC000004556405 210220371 /nfs/dbraw/zinc/22/03/71/210220371.db2.gz JSYZUKXDGDEWIW-CQSZACIVSA-N 1 0 333.482 3.925 50 0 EHAARO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+](CC)Cc2ccccc2)cc1 ZINC000004320422 210170908 /nfs/dbraw/zinc/17/09/08/210170908.db2.gz ALMAYIPNCBOXGW-LJQANCHMSA-N 1 0 341.451 3.541 50 0 EHAARO COc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1 ZINC000004168191 210137963 /nfs/dbraw/zinc/13/79/63/210137963.db2.gz CVRJKRASFHXXBY-UHFFFAOYSA-N 1 0 334.419 3.959 50 0 EHAARO CC[NH+]1CCC(NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000066146626 215016379 /nfs/dbraw/zinc/01/63/79/215016379.db2.gz JLBSOUQRJMSYBF-UHFFFAOYSA-N 1 0 342.405 3.584 50 0 EHAARO CCCC[N@@H+]1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000003894364 210084718 /nfs/dbraw/zinc/08/47/18/210084718.db2.gz ZHBVPXBHHSJIMN-RBBKRZOGSA-N 1 0 337.463 3.879 50 0 EHAARO CC(C)c1nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2s1 ZINC000066979963 215099677 /nfs/dbraw/zinc/09/96/77/215099677.db2.gz PAFWPADRBVBBIP-UHFFFAOYSA-N 1 0 332.473 3.635 50 0 EHAARO c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000066991478 215102019 /nfs/dbraw/zinc/10/20/19/215102019.db2.gz ZZSNBBPPUSFEBI-LJQANCHMSA-N 1 0 338.451 3.527 50 0 EHAARO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 ZINC000067654955 215175478 /nfs/dbraw/zinc/17/54/78/215175478.db2.gz KHTNRZYOUUMERY-SIKLNZKXSA-N 1 0 348.446 3.599 50 0 EHAARO Clc1ccccc1-c1cc(C2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]n1 ZINC000067696448 215189147 /nfs/dbraw/zinc/18/91/47/215189147.db2.gz OTPCGOWLKRBCHN-AWEZNQCLSA-N 1 0 345.874 3.946 50 0 EHAARO C[C@@H](C(=O)NC1CCCC1)[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000067713184 215191235 /nfs/dbraw/zinc/19/12/35/215191235.db2.gz ZUCJOBNTAYGYDK-AWEZNQCLSA-N 1 0 325.456 3.580 50 0 EHAARO O=C1CCCN1CC[C@H]1CCCC[N@@H+]1Cc1cccc2cnccc21 ZINC000067755269 215202999 /nfs/dbraw/zinc/20/29/99/215202999.db2.gz SUUDQWGDFHLOOW-LJQANCHMSA-N 1 0 337.467 3.602 50 0 EHAARO Cc1nnc(-c2ccccc2-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)s1 ZINC000067742834 215201214 /nfs/dbraw/zinc/20/12/14/215201214.db2.gz TXIIQAOSTKOCPF-CYBMUJFWSA-N 1 0 341.411 3.582 50 0 EHAARO CC(C)c1cc(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)[nH]n1 ZINC000067757982 215206060 /nfs/dbraw/zinc/20/60/60/215206060.db2.gz WTSPRFNQYFEGDP-UHFFFAOYSA-N 1 0 339.443 3.896 50 0 EHAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000040494126 213320315 /nfs/dbraw/zinc/32/03/15/213320315.db2.gz HFVIZNKCXHGIDE-AWEZNQCLSA-N 1 0 333.391 3.634 50 0 EHAARO COC1CC[NH+](Cc2ccc(C(=O)NCC3CCCCC3)cc2)CC1 ZINC000040152435 213273783 /nfs/dbraw/zinc/27/37/83/213273783.db2.gz PZQWXZDAAOCKPG-UHFFFAOYSA-N 1 0 344.499 3.608 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)o1 ZINC000040139471 213271490 /nfs/dbraw/zinc/27/14/90/213271490.db2.gz MTFNOOQGGGQVHA-OAHLLOKOSA-N 1 0 347.484 3.628 50 0 EHAARO CCOc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000038629295 213218033 /nfs/dbraw/zinc/21/80/33/213218033.db2.gz JIWAPYXJMBIATN-CQSZACIVSA-N 1 0 333.457 3.571 50 0 EHAARO CC(C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)c1ccc(C2CCCCC2)cc1 ZINC000038361493 213209142 /nfs/dbraw/zinc/20/91/42/213209142.db2.gz ZBIVRUVVGCTWPK-KDOFPFPSSA-N 1 0 345.487 3.604 50 0 EHAARO C[C@@H](CNC(=S)Nc1ccc(F)cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000036847538 213123211 /nfs/dbraw/zinc/12/32/11/213123211.db2.gz SBQVETZUMQYRSH-RYUDHWBXSA-N 1 0 327.444 3.514 50 0 EHAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C2CC2)cc1 ZINC000036101876 213067597 /nfs/dbraw/zinc/06/75/97/213067597.db2.gz KDJKSVJWOIQASZ-FQEVSTJZSA-N 1 0 325.452 3.708 50 0 EHAARO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036102550 213067502 /nfs/dbraw/zinc/06/75/02/213067502.db2.gz LWJCZRZOWHFCJC-HXUWFJFHSA-N 1 0 331.431 3.614 50 0 EHAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000036103085 213067181 /nfs/dbraw/zinc/06/71/81/213067181.db2.gz DYSMTKSLBBGUQY-SFHVURJKSA-N 1 0 331.431 3.784 50 0 EHAARO CC(C)C[N@@H+](Cc1ccc(F)cc1F)C[C@H](O)COc1ccccc1 ZINC000036099621 213065006 /nfs/dbraw/zinc/06/50/06/213065006.db2.gz LXDYAXIPODNLGK-SFHVURJKSA-N 1 0 349.421 3.863 50 0 EHAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COCc1ccccc1 ZINC000036099377 213065268 /nfs/dbraw/zinc/06/52/68/213065268.db2.gz MGPIXFHJVZJICS-LPHOPBHVSA-N 1 0 333.497 3.926 50 0 EHAARO CSc1nccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000071614389 215789189 /nfs/dbraw/zinc/78/91/89/215789189.db2.gz GGRACHRBAPPZOF-OAHLLOKOSA-N 1 0 329.469 3.646 50 0 EHAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828166 215858674 /nfs/dbraw/zinc/85/86/74/215858674.db2.gz RKGPNZKOQUVODD-SJLPKXTDSA-N 1 0 327.472 3.965 50 0 EHAARO Cn1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c(-c2cccs2)n1 ZINC000189583902 237046836 /nfs/dbraw/zinc/04/68/36/237046836.db2.gz PJHAPCGNDKAGJB-OAHLLOKOSA-N 1 0 343.427 3.901 50 0 EHAARO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000072137188 216025305 /nfs/dbraw/zinc/02/53/05/216025305.db2.gz ROARYECCFRWSLV-OAHLLOKOSA-N 1 0 338.442 3.524 50 0 EHAARO [NH3+]Cc1cccc(-c2cc(NCc3ccccn3)nc3[nH]ccc32)c1 ZINC000072140058 216025768 /nfs/dbraw/zinc/02/57/68/216025768.db2.gz UVCBBOSSHIPICP-UHFFFAOYSA-N 1 0 329.407 3.696 50 0 EHAARO COc1ccc2[nH]c(C[N@@H+]3CC[C@@H](n4nc(C)cc4C)C3)c(C)c2c1 ZINC000072145186 216032753 /nfs/dbraw/zinc/03/27/53/216032753.db2.gz FVXMIOZAYAQZFG-MRXNPFEDSA-N 1 0 338.455 3.745 50 0 EHAARO Cc1nc([C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)cc(=O)[nH]1 ZINC000072172689 216063280 /nfs/dbraw/zinc/06/32/80/216063280.db2.gz AGMJOCYWKMCYST-ICTCPBKTSA-N 1 0 327.403 3.523 50 0 EHAARO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c2ccccn12 ZINC000072432047 216225130 /nfs/dbraw/zinc/22/51/30/216225130.db2.gz QMXQDBYRDYLBOW-MRXNPFEDSA-N 1 0 345.450 3.899 50 0 EHAARO c1cc2c(cccc2C[NH+]2CCC(c3nnc4ccccn43)CC2)[nH]1 ZINC000120933287 541304160 /nfs/dbraw/zinc/30/41/60/541304160.db2.gz PAQCFEVSSKWIMY-UHFFFAOYSA-N 1 0 331.423 3.590 50 0 EHAARO COc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024367218 212419397 /nfs/dbraw/zinc/41/93/97/212419397.db2.gz DTWSJOAJLQIRAZ-UHFFFAOYSA-N 1 0 339.439 3.613 50 0 EHAARO Cc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C)C/C=C/c2ccccc2)n1 ZINC000023232122 212361898 /nfs/dbraw/zinc/36/18/98/212361898.db2.gz LKULKHBBQMWYJZ-DHZHZOJOSA-N 1 0 345.446 3.891 50 0 EHAARO Cc1cccc(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023127992 212351572 /nfs/dbraw/zinc/35/15/72/212351572.db2.gz YCTFBPKLZSONKQ-UHFFFAOYSA-N 1 0 336.479 3.566 50 0 EHAARO CC(C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)[NH+](C)C ZINC000022754418 212320861 /nfs/dbraw/zinc/32/08/61/212320861.db2.gz XFBOTLHNULGHNA-VLIAUNLRSA-N 1 0 341.499 3.609 50 0 EHAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000022199300 212281434 /nfs/dbraw/zinc/28/14/34/212281434.db2.gz NFLPIFBLUDLTAU-HNNXBMFYSA-N 1 0 330.453 3.922 50 0 EHAARO CSc1cccc(C[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)c1 ZINC000215327499 241121268 /nfs/dbraw/zinc/12/12/68/241121268.db2.gz NWIPCQZJKQZLME-GOSISDBHSA-N 1 0 328.481 3.985 50 0 EHAARO Cc1nccc(C2CC[NH+](CC[C@H](C)CCCC(C)(C)O)CC2)n1 ZINC000216547629 241202234 /nfs/dbraw/zinc/20/22/34/241202234.db2.gz XHGOQMWYFJRONM-MRXNPFEDSA-N 1 0 333.520 3.932 50 0 EHAARO c1cc([C@@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)nc3)C2)ncn1 ZINC000215661304 241137858 /nfs/dbraw/zinc/13/78/58/241137858.db2.gz CZGKKMOUVKZHGL-GOSISDBHSA-N 1 0 337.471 3.694 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000021960882 212266686 /nfs/dbraw/zinc/26/66/86/212266686.db2.gz SPIJQUBGYWVSDM-MRXNPFEDSA-N 1 0 343.298 3.729 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)o1 ZINC000021411960 212223758 /nfs/dbraw/zinc/22/37/58/212223758.db2.gz QSDHMQFXVMAPKQ-UHFFFAOYSA-N 1 0 332.831 3.849 50 0 EHAARO Fc1ccccc1C1CC([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000237810102 242805094 /nfs/dbraw/zinc/80/50/94/242805094.db2.gz XEQXLDUJTQQLAB-HSBZDZAISA-N 1 0 330.369 3.546 50 0 EHAARO CN(CCC[NH+]1CCCCC1)C(=O)c1csc(-c2cccs2)n1 ZINC000020998473 212197417 /nfs/dbraw/zinc/19/74/17/212197417.db2.gz RYGRVVXGVYMGSL-UHFFFAOYSA-N 1 0 349.525 3.820 50 0 EHAARO CC(=O)c1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)cs1 ZINC000020913778 212186345 /nfs/dbraw/zinc/18/63/45/212186345.db2.gz AUDLFKHUCSVKMZ-QGZVFWFLSA-N 1 0 346.471 3.844 50 0 EHAARO CCCCN(C)c1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000241564189 242994404 /nfs/dbraw/zinc/99/44/04/242994404.db2.gz OSBNNCCSBRJLQU-FXAWDEMLSA-N 1 0 343.515 3.622 50 0 EHAARO C[N@@H+]1CCC[C@H]1c1ccc(C(=O)N2CCc3ccccc3C2)s1 ZINC000020784707 212172322 /nfs/dbraw/zinc/17/23/22/212172322.db2.gz KHCKBYRTWIINSU-INIZCTEOSA-N 1 0 326.465 3.713 50 0 EHAARO CC[NH+](CC)CCN1CCn2c3ccc(C)cc3c3c2[C@H]1CCC3 ZINC000020608603 212153739 /nfs/dbraw/zinc/15/37/39/212153739.db2.gz DLIMQMFEKLIBNI-HXUWFJFHSA-N 1 0 325.500 3.985 50 0 EHAARO CN(C)CC[NH2+]CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000020548611 212146500 /nfs/dbraw/zinc/14/65/00/212146500.db2.gz KRSFVMWBUGYVDM-VQTJNVASSA-N 1 0 332.532 3.592 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1F)[NH2+]CC2 ZINC000020507016 212140921 /nfs/dbraw/zinc/14/09/21/212140921.db2.gz ABYDTUZSQGVRJJ-HXUWFJFHSA-N 1 0 345.414 3.867 50 0 biogenic EHAARO C[N@H+](Cc1ccoc1)Cc1cccc(-c2nc3c(c(=O)[nH]2)CCCC3)c1 ZINC000020449162 212129643 /nfs/dbraw/zinc/12/96/43/212129643.db2.gz IDWLVRCMSPKYJJ-UHFFFAOYSA-N 1 0 349.434 3.541 50 0 EHAARO COc1ccc(CC[NH2+]Cc2ccc(F)c(Br)c2)cc1 ZINC000019907459 212081961 /nfs/dbraw/zinc/08/19/61/212081961.db2.gz SEJPIWXJVMTOSE-UHFFFAOYSA-N 1 0 338.220 3.929 50 0 EHAARO COc1ccccc1-c1n[nH]c2c1C[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC000019790845 212067357 /nfs/dbraw/zinc/06/73/57/212067357.db2.gz JSYHVEIWFWCRKC-XHSDSOJGSA-N 1 0 335.451 3.656 50 0 EHAARO COc1cc2c(cc1OC)[C@@H](c1ccc(C(F)(F)F)cc1)[NH2+]CC2 ZINC000019726646 212058808 /nfs/dbraw/zinc/05/88/08/212058808.db2.gz AEMIRCPNFVHJCV-QGZVFWFLSA-N 1 0 337.341 3.958 50 0 EHAARO c1csc(-c2n[nH]cc2C[NH2+]Cc2ccccc2-n2ccnc2)c1 ZINC000078612743 217087658 /nfs/dbraw/zinc/08/76/58/217087658.db2.gz BAROKXVOTMIKST-UHFFFAOYSA-N 1 0 335.436 3.614 50 0 EHAARO Cc1cc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc(C)c1Cl ZINC000015685045 211843888 /nfs/dbraw/zinc/84/38/88/211843888.db2.gz DRPZDBYGBLRKOR-BZUAXINKSA-N 1 0 325.880 3.959 50 0 EHAARO Fc1ccccc1C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000015078936 211800302 /nfs/dbraw/zinc/80/03/02/211800302.db2.gz LRCACHYTAQVGHF-INIZCTEOSA-N 1 0 328.387 3.631 50 0 EHAARO Fc1ccccc1C1(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)CCCC1 ZINC000082121282 217472134 /nfs/dbraw/zinc/47/21/34/217472134.db2.gz AJNWBDXHCGGTSK-QGZVFWFLSA-N 1 0 347.474 3.955 50 0 EHAARO CCC(=O)N1CCC([NH2+]Cc2ccccc2Oc2ccccc2)CC1 ZINC000089145176 217772846 /nfs/dbraw/zinc/77/28/46/217772846.db2.gz HRDDTCQDLWGLTM-UHFFFAOYSA-N 1 0 338.451 3.970 50 0 EHAARO CCn1nc(C)c(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c1C ZINC000012443438 211384925 /nfs/dbraw/zinc/38/49/25/211384925.db2.gz LRGQBSDOFVKCRJ-CQSZACIVSA-N 1 0 337.471 3.865 50 0 EHAARO COc1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCO)c(C)o2)ccc1F ZINC000012297732 211334480 /nfs/dbraw/zinc/33/44/80/211334480.db2.gz QWRPIYYHCZPIHP-OAHLLOKOSA-N 1 0 348.418 3.535 50 0 EHAARO O=C(CC[C@H]1CCC[N@@H+](C/C=C/c2ccc(F)cc2)C1)NC1CC1 ZINC000012304340 211338969 /nfs/dbraw/zinc/33/89/69/211338969.db2.gz NFXRWSPDBBWNES-XKKXFUJGSA-N 1 0 330.447 3.610 50 0 EHAARO CC[NH2+]CC[C@H]1CCC(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000012204581 211321127 /nfs/dbraw/zinc/32/11/27/211321127.db2.gz NANYIQYZERWMSK-HXUWFJFHSA-N 1 0 336.479 3.809 50 0 EHAARO CC(C)(CO)C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000011949573 211274784 /nfs/dbraw/zinc/27/47/84/211274784.db2.gz WJVBHVXZQQBUJJ-KRWDZBQOSA-N 1 0 345.462 3.633 50 0 EHAARO COCC[C@]1(O)CC[N@H+](Cc2c(C)sc3ccccc32)C[C@H]1C ZINC000091476693 218012206 /nfs/dbraw/zinc/01/22/06/218012206.db2.gz QRXILXVONSTFQI-AUUYWEPGSA-N 1 0 333.497 3.819 50 0 EHAARO OCc1ccc(C[N@@H+]2CCC[C@H](CCc3ccc(F)c(F)c3)C2)o1 ZINC000011873126 211261643 /nfs/dbraw/zinc/26/16/43/211261643.db2.gz LXCMFSSPPVNOKP-OAHLLOKOSA-N 1 0 335.394 3.895 50 0 EHAARO CC(C)[N@@H+]1CC[C@@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000011844088 211255809 /nfs/dbraw/zinc/25/58/09/211255809.db2.gz UEBJHPRHGPDLLI-AWEZNQCLSA-N 1 0 348.878 3.552 50 0 EHAARO CC1CC[NH+](CCCNC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000010540224 211179218 /nfs/dbraw/zinc/17/92/18/211179218.db2.gz SDDKQDGCAMKOQK-UHFFFAOYSA-N 1 0 329.271 3.845 50 0 EHAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCc1ccc(Cl)cc1 ZINC000010310917 211161060 /nfs/dbraw/zinc/16/10/60/211161060.db2.gz CEELGFYRSOZWNC-SFHVURJKSA-N 1 0 328.843 3.793 50 0 EHAARO O=C(NCCSc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010327822 211164770 /nfs/dbraw/zinc/16/47/70/211164770.db2.gz USOWQTXTNBEXLM-UHFFFAOYSA-N 1 0 340.492 3.805 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000010080528 211145535 /nfs/dbraw/zinc/14/55/35/211145535.db2.gz XWUADDJWUUZFNX-LJQANCHMSA-N 1 0 343.446 3.708 50 0 EHAARO C[N@H+](CCCNc1nc(-c2ccccc2F)no1)C1CCCCC1 ZINC000009726819 211119764 /nfs/dbraw/zinc/11/97/64/211119764.db2.gz CGVMNMHVZAVXDU-UHFFFAOYSA-N 1 0 332.423 3.942 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(Cl)cc1Cl ZINC000095361840 218294716 /nfs/dbraw/zinc/29/47/16/218294716.db2.gz LPGRRBPYCBXCER-CQSZACIVSA-N 1 0 329.271 3.874 50 0 EHAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1cccs1 ZINC000008974046 211024786 /nfs/dbraw/zinc/02/47/86/211024786.db2.gz VZQOVBFSVBREAH-OAHLLOKOSA-N 1 0 325.393 3.538 50 0 EHAARO Fc1cccc(Cl)c1CN1CCC([NH2+]CCc2ccccn2)CC1 ZINC000095419168 218359326 /nfs/dbraw/zinc/35/93/26/218359326.db2.gz OFXPQDGOEIBZQA-UHFFFAOYSA-N 1 0 347.865 3.671 50 0 EHAARO CCc1cnc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)s1 ZINC000095423430 218365745 /nfs/dbraw/zinc/36/57/45/218365745.db2.gz GGNUQHJUGBTGSJ-AWEZNQCLSA-N 1 0 345.512 3.872 50 0 EHAARO CCc1cc(C[NH2+][C@H]2c3cc(Br)ccc3C[C@H]2C)[nH]n1 ZINC000095451013 218395454 /nfs/dbraw/zinc/39/54/54/218395454.db2.gz TUHSNEKMUSXNAN-QLJPJBMISA-N 1 0 334.261 3.758 50 0 EHAARO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000095968563 218473395 /nfs/dbraw/zinc/47/33/95/218473395.db2.gz AGRIHAGQZIDSGA-PIGZYNQJSA-N 1 0 333.476 3.934 50 0 EHAARO CCn1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nc1N(C)C ZINC000096147775 218624821 /nfs/dbraw/zinc/62/48/21/218624821.db2.gz FYIAOSFHYDZNKB-HNNXBMFYSA-N 1 0 327.476 3.578 50 0 EHAARO COc1ccc(/C=C\c2ccc3ccccc3[n+]2C)c(OC)c1OC ZINC000005045772 210372354 /nfs/dbraw/zinc/37/23/54/210372354.db2.gz YPDMWQRZQQPFQX-RAXLEYEMSA-N 1 0 336.411 3.861 50 0 EHAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000097159373 218975462 /nfs/dbraw/zinc/97/54/62/218975462.db2.gz KLZFQELSSTXCHA-UHFFFAOYSA-N 1 0 325.412 3.626 50 0 EHAARO COC(=O)CN1C(C)=[NH+]c2ccccc2[C@H]1c1ccc(Cl)cc1 ZINC000097165841 218981352 /nfs/dbraw/zinc/98/13/52/218981352.db2.gz GTDBFWZBBMUKEQ-GOSISDBHSA-N 1 0 328.799 3.968 50 0 EHAARO Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CC[NH+](C)CC2)o1 ZINC000004812271 210284089 /nfs/dbraw/zinc/28/40/89/210284089.db2.gz XBXFIMKNSCMGLZ-QGZVFWFLSA-N 1 0 337.423 3.553 50 0 EHAARO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000155629576 257955916 /nfs/dbraw/zinc/95/59/16/257955916.db2.gz OQSKUFRKIJOMHG-GFCCVEGCSA-N 1 0 349.887 3.752 50 0 EHAARO Cc1ocnc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299796122 258100277 /nfs/dbraw/zinc/10/02/77/258100277.db2.gz NIJYNSODRYSDSN-XHSDSOJGSA-N 1 0 336.395 3.726 50 0 EHAARO c1ccc([C@@H]2C[C@H](c3noc(Cc4cccnc4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299759900 258077288 /nfs/dbraw/zinc/07/72/88/258077288.db2.gz OOVRYDSQVWTPQM-OTWHNJEPSA-N 1 0 346.434 3.748 50 0 EHAARO CC(C)C[C@@H](C)[NH2+]C1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000063845090 132806042 /nfs/dbraw/zinc/80/60/42/132806042.db2.gz HXMKGJFVTDAHKT-QGZVFWFLSA-N 1 0 326.488 3.865 50 0 EHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000269279875 525010534 /nfs/dbraw/zinc/01/05/34/525010534.db2.gz QCCQWSCUOODUKW-CZUORRHYSA-N 1 0 344.405 3.831 50 0 EHAARO C[NH+]1CCN(c2ccc(NC(=O)NC3CCCCCCC3)cc2)CC1 ZINC000040104079 536423444 /nfs/dbraw/zinc/42/34/44/536423444.db2.gz NVBPYILNKFJQIM-UHFFFAOYSA-N 1 0 344.503 3.673 50 0 EHAARO CC12CN(Cc3ccccc3)CC(C)(C[NH+](Cc3ccccc3)C1)C2=O ZINC000000348384 563288673 /nfs/dbraw/zinc/28/86/73/563288673.db2.gz GKEOZRFZPOMNLN-UHFFFAOYSA-N 1 0 348.490 3.600 50 0 EHAARO CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@@H](C)C[NH2+]C ZINC000001844837 563414245 /nfs/dbraw/zinc/41/42/45/563414245.db2.gz IKACRWYHQXOSGM-UWJYYQICSA-N 1 0 325.452 3.933 50 0 endogenous,in-man EHAARO C[NH+](C)CCCOc1ccc2c(c1)Sc1ccccc1CC2=O ZINC000002049847 563419382 /nfs/dbraw/zinc/41/93/82/563419382.db2.gz MAHKVBMKHZEFGR-UHFFFAOYSA-N 1 0 327.449 3.907 50 0 EHAARO Cc1nn2c(nc(C(C)C)cc2N2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000002324502 563429428 /nfs/dbraw/zinc/42/94/28/563429428.db2.gz FMCLMNGRRYGFMH-UHFFFAOYSA-N 1 0 349.482 3.580 50 0 EHAARO C[NH+](C)CCNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c21 ZINC000005347074 563528053 /nfs/dbraw/zinc/52/80/53/563528053.db2.gz ZYRQVUDHEAZIMM-UHFFFAOYSA-N 1 0 338.367 3.716 50 0 EHAARO O=c1cc(NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc2o1 ZINC000006222987 563561696 /nfs/dbraw/zinc/56/16/96/563561696.db2.gz PXXDYUCOHNIFRG-UHFFFAOYSA-N 1 0 348.446 3.912 50 0 EHAARO CC(C)CCOc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000006664413 563577145 /nfs/dbraw/zinc/57/71/45/563577145.db2.gz UWNYVEWKSVPIGI-GOSISDBHSA-N 1 0 349.438 3.748 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)c1OC ZINC000012580107 563663887 /nfs/dbraw/zinc/66/38/87/563663887.db2.gz SILBCKPSPJCXRC-GOSISDBHSA-N 1 0 344.430 3.919 50 0 EHAARO COc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2C)C1 ZINC000012589614 563664152 /nfs/dbraw/zinc/66/41/52/563664152.db2.gz OBKUKJBALNTCQC-JOCHJYFZSA-N 1 0 339.479 3.821 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3C)C2)c1 ZINC000012597478 563665061 /nfs/dbraw/zinc/66/50/61/563665061.db2.gz JNFVETBZQSKZGV-JOCHJYFZSA-N 1 0 339.479 3.821 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(C)n1 ZINC000012759332 563670088 /nfs/dbraw/zinc/67/00/88/563670088.db2.gz CAGJMSPGJVCJNG-INIZCTEOSA-N 1 0 345.874 3.960 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000013041376 563686377 /nfs/dbraw/zinc/68/63/77/563686377.db2.gz DSYBGVBTDRVMLV-TXEJJXNPSA-N 1 0 329.271 3.588 50 0 EHAARO Cc1cc(C)c(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000015064285 563774678 /nfs/dbraw/zinc/77/46/78/563774678.db2.gz SKYWRNSLUJCSFD-LJQANCHMSA-N 1 0 340.467 3.676 50 0 EHAARO Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000016346534 563809407 /nfs/dbraw/zinc/80/94/07/563809407.db2.gz MVVPLCOKTSAVMW-ZIUDEIKKSA-N 1 0 346.540 3.962 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)N1CCc2ccccc21 ZINC000043229647 563860614 /nfs/dbraw/zinc/86/06/14/563860614.db2.gz XSIGFNHTWZCVEC-UHFFFAOYSA-N 1 0 349.478 3.945 50 0 EHAARO CCCOc1ccccc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000043452353 563872908 /nfs/dbraw/zinc/87/29/08/563872908.db2.gz YZYWPDDQEWJTML-MRXNPFEDSA-N 1 0 347.484 3.961 50 0 EHAARO CC[NH+](CC)C[C@H](NC(=O)NCc1ccccc1)c1ccccc1 ZINC000025091151 563880897 /nfs/dbraw/zinc/88/08/97/563880897.db2.gz VNAXDZWFLDNNBV-IBGZPJMESA-N 1 0 325.456 3.569 50 0 EHAARO Cc1csc2nc(C[NH2+][C@H](C)c3ccc(Cl)cc3)cc(=O)n12 ZINC000025398335 563884349 /nfs/dbraw/zinc/88/43/49/563884349.db2.gz BRJUDBPJWCQYFW-LLVKDONJSA-N 1 0 333.844 3.569 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)cc2c1C ZINC000027580405 563896901 /nfs/dbraw/zinc/89/69/01/563896901.db2.gz TXCBMAOKZRGINY-LJQANCHMSA-N 1 0 349.478 3.687 50 0 EHAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000072298481 563912446 /nfs/dbraw/zinc/91/24/46/563912446.db2.gz NIAMEHDFPQNUGS-INIZCTEOSA-N 1 0 325.412 3.825 50 0 EHAARO CCCO[C@H]1CCC[N@@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000032541608 563913902 /nfs/dbraw/zinc/91/39/02/563913902.db2.gz SCSJYCAIJHKQFO-KRWDZBQOSA-N 1 0 338.442 3.825 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1CCn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000032590382 563914007 /nfs/dbraw/zinc/91/40/07/563914007.db2.gz ZZRCAQFRSBSYLJ-GFCCVEGCSA-N 1 0 340.254 3.578 50 0 EHAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)CCc1ccc(O)cc1)CC2 ZINC000023282513 563919409 /nfs/dbraw/zinc/91/94/09/563919409.db2.gz FRJHNKLYKZVVNQ-HNNXBMFYSA-N 1 0 341.451 3.789 50 0 EHAARO CCOCC[NH+](CCNc1cccc2ccccc21)CCOCC ZINC000071767086 563929580 /nfs/dbraw/zinc/92/95/80/563929580.db2.gz LBHVYGHLWMMZQZ-UHFFFAOYSA-N 1 0 330.472 3.627 50 0 EHAARO O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000057992786 563936260 /nfs/dbraw/zinc/93/62/60/563936260.db2.gz RPOMHHYLUHXVNV-WMZOPIPTSA-N 1 0 335.444 3.602 50 0 EHAARO CSc1ccccc1NC(=O)CC[N@H+](Cc1ccco1)C1CC1 ZINC000058162411 563938494 /nfs/dbraw/zinc/93/84/94/563938494.db2.gz YFFQFAWNHNGNKE-UHFFFAOYSA-N 1 0 330.453 3.995 50 0 EHAARO COc1cccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000058167667 563938906 /nfs/dbraw/zinc/93/89/06/563938906.db2.gz AZJOQEPZLSHYRF-NSHDSACASA-N 1 0 336.794 3.605 50 0 EHAARO CCSCc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000096435254 563952385 /nfs/dbraw/zinc/95/23/85/563952385.db2.gz BLJKGNARQXHVKU-INIZCTEOSA-N 1 0 335.517 3.745 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(-c3ccco3)ccc2F)C1 ZINC000096453149 563953741 /nfs/dbraw/zinc/95/37/41/563953741.db2.gz LWVIZIQUXMUFQU-CQSZACIVSA-N 1 0 345.418 3.891 50 0 EHAARO c1sc(N2CCC[N@@H+](C3CCOCC3)CC2)nc1-c1ccccc1 ZINC000096462058 563954190 /nfs/dbraw/zinc/95/41/90/563954190.db2.gz LJNXXNVBAIVEDK-UHFFFAOYSA-N 1 0 343.496 3.501 50 0 EHAARO COc1cccc(F)c1[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000096478601 563955001 /nfs/dbraw/zinc/95/50/01/563955001.db2.gz PIWAKXSNQWYGTL-CQSZACIVSA-N 1 0 329.419 3.549 50 0 EHAARO c1nn(Cc2ccccc2)cc1C1=CC[N@H+](CCc2ccccn2)CC1 ZINC000065394111 563959515 /nfs/dbraw/zinc/95/95/15/563959515.db2.gz NKLWICZWTUBFQD-UHFFFAOYSA-N 1 0 344.462 3.658 50 0 EHAARO CC[C@]1(O)CCC[N@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 ZINC000071765265 563965546 /nfs/dbraw/zinc/96/55/46/563965546.db2.gz QGCBSTQCPSEEBO-IBGZPJMESA-N 1 0 348.418 3.535 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c(C)n1 ZINC000097016626 563966722 /nfs/dbraw/zinc/96/67/22/563966722.db2.gz GSFDYLDSQXRVAM-WFASDCNBSA-N 1 0 346.425 3.549 50 0 EHAARO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(C)n1 ZINC000097016631 563966742 /nfs/dbraw/zinc/96/67/42/563966742.db2.gz GSFDYLDSQXRVAM-SWLSCSKDSA-N 1 0 346.425 3.549 50 0 EHAARO CCOCc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)cc1 ZINC000097159362 563968347 /nfs/dbraw/zinc/96/83/47/563968347.db2.gz PWVDQMRHJJAZSK-UHFFFAOYSA-N 1 0 325.412 3.804 50 0 EHAARO Cc1nc[nH]c1C[NH+]1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1 ZINC000077393332 563969366 /nfs/dbraw/zinc/96/93/66/563969366.db2.gz QJKBFDPQUXMWSX-UHFFFAOYSA-N 1 0 335.455 3.796 50 0 EHAARO c1coc(-c2ncc(CN3CCCC[C@H]3CC[NH+]3CCCC3)cn2)c1 ZINC000077469896 563969796 /nfs/dbraw/zinc/96/97/96/563969796.db2.gz HYENRSXGGOXDDL-SFHVURJKSA-N 1 0 340.471 3.577 50 0 EHAARO O=C1CCCN1CCC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000077521850 563970228 /nfs/dbraw/zinc/97/02/28/563970228.db2.gz AFBUHVPDNRLKQC-UHFFFAOYSA-N 1 0 338.854 3.704 50 0 EHAARO c1c(CC[NH2+][C@H](c2ccccc2)c2ccncc2)nc2ccccn12 ZINC000097233869 563970780 /nfs/dbraw/zinc/97/07/80/563970780.db2.gz XYZPTVSIPQRAEH-OAQYLSRUSA-N 1 0 328.419 3.651 50 0 EHAARO O=C1Nc2ccccc2NC12CC[NH+](C1CCCCCCC1)CC2 ZINC000082109081 563972333 /nfs/dbraw/zinc/97/23/33/563972333.db2.gz PWTIMVRGXMECKR-UHFFFAOYSA-N 1 0 327.472 3.998 50 0 EHAARO CCC[C@H]1CN(C(=O)c2cccc(-c3ccccc3OC)c2)C[C@@H]1[NH3+] ZINC000091381765 563975374 /nfs/dbraw/zinc/97/53/74/563975374.db2.gz QRFDUMQJDLPNKS-HKUYNNGSSA-N 1 0 338.451 3.562 50 0 EHAARO C[C@@H]1C[N@@H+](CCCCOc2ccccc2Br)C[C@H](C)O1 ZINC000016247313 563976202 /nfs/dbraw/zinc/97/62/02/563976202.db2.gz FIPKWASTKUDGBW-OKILXGFUSA-N 1 0 342.277 3.717 50 0 EHAARO Cc1cccc(-c2ncc(C[N@@H+]3CC[C@](O)(c4ccccc4)C3)cn2)c1 ZINC000097173023 563981320 /nfs/dbraw/zinc/98/13/20/563981320.db2.gz PIYHTYWGSWMEAR-JOCHJYFZSA-N 1 0 345.446 3.546 50 0 EHAARO COc1ccc(C(=O)CC[N@@H+]2CC[C@H](c3ccccc3)C2)cc1OC ZINC000000187922 563988000 /nfs/dbraw/zinc/98/80/00/563988000.db2.gz LUVSHTKOFJYPMP-SFHVURJKSA-N 1 0 339.435 3.766 50 0 biogenic EHAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1 ZINC000178589529 563989045 /nfs/dbraw/zinc/98/90/45/563989045.db2.gz RGCGDQRJRPKCCN-ZDUSSCGKSA-N 1 0 330.815 3.553 50 0 EHAARO O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000408524636 563993260 /nfs/dbraw/zinc/99/32/60/563993260.db2.gz WYPOKULIKWWAAL-AWEZNQCLSA-N 1 0 344.402 3.764 50 0 EHAARO C[C@H](Sc1ccccn1)c1nc(CCC[NH+]2CCC(C)CC2)no1 ZINC000127079819 563995914 /nfs/dbraw/zinc/99/59/14/563995914.db2.gz QXAXNJOWVUFKTQ-HNNXBMFYSA-N 1 0 346.500 3.982 50 0 EHAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)c(-c3ccc(F)cc3)s2)C1 ZINC000179008169 563996391 /nfs/dbraw/zinc/99/63/91/563996391.db2.gz IUQCCAZNADVMQW-CYBMUJFWSA-N 1 0 332.444 3.544 50 0 EHAARO Cc1ccc(NC[C@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)nc1 ZINC000065466241 563998214 /nfs/dbraw/zinc/99/82/14/563998214.db2.gz LLPFKIWGROQBEG-OAHLLOKOSA-N 1 0 328.460 3.610 50 0 EHAARO O=C(Nc1cc(Cl)cc(Cl)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000193478777 564002177 /nfs/dbraw/zinc/00/21/77/564002177.db2.gz CVPFZLGTNZDMPK-UHFFFAOYSA-N 1 0 342.270 3.989 50 0 EHAARO CSCC[C@@H]([NH2+][C@@H]1CCC12CCCC2)c1nnc2ccccn21 ZINC000189047630 564014531 /nfs/dbraw/zinc/01/45/31/564014531.db2.gz NNEGYBILKXPAAR-HUUCEWRRSA-N 1 0 330.501 3.836 50 0 EHAARO O[C@](c1ccccc1)(c1ccc(Cl)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000000499788 564018446 /nfs/dbraw/zinc/01/84/46/564018446.db2.gz UNTIDFUYZYGXBI-WOJBJXKFSA-N 1 0 327.855 3.918 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000047038645 564025676 /nfs/dbraw/zinc/02/56/76/564025676.db2.gz LDYAAIHAQWIREY-OKILXGFUSA-N 1 0 340.870 3.967 50 0 EHAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+][C@H](C)c2ccc(F)cc2F)cn1 ZINC000107322470 564026839 /nfs/dbraw/zinc/02/68/39/564026839.db2.gz MNJBLLBNCYASMK-SNUQEOBHSA-N 1 0 335.398 3.610 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000045370749 564028419 /nfs/dbraw/zinc/02/84/19/564028419.db2.gz WGRYAEBPTGDURB-UHFFFAOYSA-N 1 0 343.515 3.528 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000045462723 564028439 /nfs/dbraw/zinc/02/84/39/564028439.db2.gz WWGDSNSFCFWYPE-SFHVURJKSA-N 1 0 343.515 3.526 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)N1CCc2ccccc21 ZINC000048236508 564030170 /nfs/dbraw/zinc/03/01/70/564030170.db2.gz BKONWJFEFYRXOJ-KRWDZBQOSA-N 1 0 326.465 3.864 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cn1 ZINC000048782276 564032211 /nfs/dbraw/zinc/03/22/11/564032211.db2.gz OUFURNGUQCTFJR-UHFFFAOYSA-N 1 0 346.356 3.884 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccco2)C1 ZINC000048885370 564032338 /nfs/dbraw/zinc/03/23/38/564032338.db2.gz ZBQHQOGGAXZVMT-HZPDHXFCSA-N 1 0 326.440 3.688 50 0 EHAARO O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000219909311 564035570 /nfs/dbraw/zinc/03/55/70/564035570.db2.gz BDPLFPLCUWJOPA-NRFANRHFSA-N 1 0 338.426 3.708 50 0 EHAARO Cc1cc(C(=O)NC[C@H](C)N2CCc3sccc3C2)sc1C ZINC000032429445 564036051 /nfs/dbraw/zinc/03/60/51/564036051.db2.gz SIGLDTUPMHZFAW-LBPRGKRZSA-N 1 0 334.510 3.603 50 0 EHAARO CCC[N@@H+](Cc1ccc2c3c1cccc3C(=O)OC2)C[C@H]1CCCO1 ZINC000252482214 564053366 /nfs/dbraw/zinc/05/33/66/564053366.db2.gz DASQVANFMUALIQ-QGZVFWFLSA-N 1 0 339.435 3.901 50 0 EHAARO Cc1cc(NC(=O)C[N@H+](Cc2ccc(C)s2)C2CCCC2)no1 ZINC000252482332 564053370 /nfs/dbraw/zinc/05/33/70/564053370.db2.gz DDBYBQBTAXVMIF-UHFFFAOYSA-N 1 0 333.457 3.736 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000012601026 564060419 /nfs/dbraw/zinc/06/04/19/564060419.db2.gz SZKYABPSQMAMQK-IBGZPJMESA-N 1 0 338.451 3.725 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccccc2C(F)(F)F)N1 ZINC000001408225 564065302 /nfs/dbraw/zinc/06/53/02/564065302.db2.gz TUOQDYUKQRGGMJ-ZDUSSCGKSA-N 1 0 331.301 3.552 50 0 EHAARO Cc1cccc(C)c1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000084213308 564067417 /nfs/dbraw/zinc/06/74/17/564067417.db2.gz YGABAUGGGDHUCY-IBGZPJMESA-N 1 0 328.500 3.888 50 0 EHAARO Cc1csc(=O)n1CC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000012783623 564070179 /nfs/dbraw/zinc/07/01/79/564070179.db2.gz RNINVPIDBSENIH-UHFFFAOYSA-N 1 0 341.480 3.579 50 0 EHAARO CCS[C@@H]1CC[C@]1(O)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000084811864 564070364 /nfs/dbraw/zinc/07/03/64/564070364.db2.gz PHMDZWVVBPCUJP-HIFRSBDPSA-N 1 0 340.539 3.608 50 0 EHAARO Cc1n[nH]c(C)c1NC(=O)CN(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000121127211 564073196 /nfs/dbraw/zinc/07/31/96/564073196.db2.gz PQFLZCMOUXSUCC-CYBMUJFWSA-N 1 0 349.504 3.546 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000012819099 564073260 /nfs/dbraw/zinc/07/32/60/564073260.db2.gz WILRQUDULGQIMG-HUUCEWRRSA-N 1 0 344.455 3.645 50 0 EHAARO c1ccc(C[NH+]2CCC(Nc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000015770747 564073718 /nfs/dbraw/zinc/07/37/18/564073718.db2.gz FDSCMHJZIDYAHH-UHFFFAOYSA-N 1 0 334.423 3.813 50 0 EHAARO Cc1cc2occ(CC(=O)NCCC[N@H+]3CCCC[C@H]3C)c2cc1C ZINC000012927673 564078607 /nfs/dbraw/zinc/07/86/07/564078607.db2.gz PLDDWMTYTYHLCY-QGZVFWFLSA-N 1 0 342.483 3.973 50 0 EHAARO COc1cc(N2CCOC(C)(C)C2)ccc1NC1C[C@H](C)O[C@@H](C)C1 ZINC000092138805 564088828 /nfs/dbraw/zinc/08/88/28/564088828.db2.gz HHGVACGMAFAVDY-GJZGRUSLSA-N 1 0 348.487 3.678 50 0 EHAARO COc1ccc(-c2nccn2[C@H]2CC[C@@H]([NH3+])CC2)c(Cl)c1OC ZINC000248181895 564089258 /nfs/dbraw/zinc/08/92/58/564089258.db2.gz DZMJDLSIHMCWBL-TXEJJXNPSA-N 1 0 335.835 3.663 50 0 EHAARO CCCC[NH+]1CCN(C(=O)CCc2ccc3c(ccn3CC)c2)CC1 ZINC000075550645 564089317 /nfs/dbraw/zinc/08/93/17/564089317.db2.gz HPIGVNMXWSWNSA-UHFFFAOYSA-N 1 0 341.499 3.538 50 0 EHAARO CC(C)Oc1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nc(N)n1 ZINC000426615064 564094217 /nfs/dbraw/zinc/09/42/17/564094217.db2.gz GPCCOKDRVWYPDZ-AWEZNQCLSA-N 1 0 326.444 3.500 50 0 EHAARO C[C@@H](NC(=O)C1=CC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000064818047 564096492 /nfs/dbraw/zinc/09/64/92/564096492.db2.gz ZDOBBRSYXRTGJP-MRXNPFEDSA-N 1 0 338.426 3.835 50 0 EHAARO CCCC[N@H+](C)CCCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000006809353 564098413 /nfs/dbraw/zinc/09/84/13/564098413.db2.gz LUVLMUBKZNRDHZ-UHFFFAOYSA-N 1 0 346.862 3.653 50 0 EHAARO c1csc(C[N@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)c1 ZINC000065287788 564104298 /nfs/dbraw/zinc/10/42/98/564104298.db2.gz OYWXYPFKMUADMW-QGZVFWFLSA-N 1 0 338.480 3.768 50 0 EHAARO O=C(C1CCCC1)N1CC[C@@H]([NH2+][C@H](c2ccccc2)c2ccncc2)C1 ZINC000170070142 564105205 /nfs/dbraw/zinc/10/52/05/564105205.db2.gz BTZLNNULIIMHLU-NHCUHLMSSA-N 1 0 349.478 3.552 50 0 EHAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000071825175 564111320 /nfs/dbraw/zinc/11/13/20/564111320.db2.gz VOCSAZONSASIIT-JTQLQIEISA-N 1 0 342.270 3.650 50 0 EHAARO COc1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)c(OC)c1OC ZINC000089657343 564112919 /nfs/dbraw/zinc/11/29/19/564112919.db2.gz VUEOGQZCAZDWPR-KRWDZBQOSA-N 1 0 327.424 3.798 50 0 EHAARO Cc1nccn1C[C@@H](C)C[N@H+](C)Cc1ccccc1Br ZINC000089735521 564113427 /nfs/dbraw/zinc/11/34/27/564113427.db2.gz ZZXZRPQNXIORCY-ZDUSSCGKSA-N 1 0 336.277 3.722 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000089948687 564115709 /nfs/dbraw/zinc/11/57/09/564115709.db2.gz YPSBWQZYAKETEB-VEVIJQCQSA-N 1 0 336.426 3.653 50 0 EHAARO CCN(CC)C(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089967564 564115895 /nfs/dbraw/zinc/11/58/95/564115895.db2.gz PVTSFMDPPYGSLI-HNNXBMFYSA-N 1 0 325.456 3.514 50 0 EHAARO CCN(CC)C(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089967562 564115917 /nfs/dbraw/zinc/11/59/17/564115917.db2.gz PVTSFMDPPYGSLI-OAHLLOKOSA-N 1 0 325.456 3.514 50 0 EHAARO C[C@H]1CCC[N@H+](CCOCCOc2ccc(Br)cc2)C1 ZINC000002822069 564116937 /nfs/dbraw/zinc/11/69/37/564116937.db2.gz CRDTXVYLNIOFSH-AWEZNQCLSA-N 1 0 342.277 3.576 50 0 EHAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000237412888 564117715 /nfs/dbraw/zinc/11/77/15/564117715.db2.gz GKMISEYKBZRDSK-BXUZGUMPSA-N 1 0 343.858 3.717 50 0 EHAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000237496959 564117722 /nfs/dbraw/zinc/11/77/22/564117722.db2.gz YBIDRYLDGYOMOP-XUJVJEKNSA-N 1 0 328.378 3.537 50 0 EHAARO Cc1cc(F)ccc1-c1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1F ZINC000237523908 564117762 /nfs/dbraw/zinc/11/77/62/564117762.db2.gz VCMZOZSEJHVTOC-BBRMVZONSA-N 1 0 344.405 3.892 50 0 EHAARO C[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(O)c1 ZINC000194949012 564122621 /nfs/dbraw/zinc/12/26/21/564122621.db2.gz LOKMYSFEORXYMU-MRXNPFEDSA-N 1 0 340.467 3.770 50 0 EHAARO Cc1ccc2c(CC[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)cn(C)c2c1 ZINC000195125846 564122790 /nfs/dbraw/zinc/12/27/90/564122790.db2.gz KTLKFLYNNHQSPD-HXUWFJFHSA-N 1 0 345.450 3.527 50 0 EHAARO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000195556478 564123778 /nfs/dbraw/zinc/12/37/78/564123778.db2.gz PQWPJGGHDZXASJ-HZUJVAHNSA-N 1 0 338.451 3.565 50 0 EHAARO CC(=O)NC1CCC([NH2+][C@H](C)c2oc3ccc(F)cc3c2C)CC1 ZINC000195565156 564123853 /nfs/dbraw/zinc/12/38/53/564123853.db2.gz VTGMROYDPGKZDT-UWTIGNOOSA-N 1 0 332.419 3.978 50 0 EHAARO CCCOc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCCC3)cc1 ZINC000136088515 564129515 /nfs/dbraw/zinc/12/95/15/564129515.db2.gz FRUKOUJSXPWSPB-UHFFFAOYSA-N 1 0 329.420 3.673 50 0 EHAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1coc(Br)c1 ZINC000012989511 564135809 /nfs/dbraw/zinc/13/58/09/564135809.db2.gz VBRYRUZQXLGULO-UHFFFAOYSA-N 1 0 349.228 3.890 50 0 EHAARO O=C(CCC(F)(F)F)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000078992418 564137553 /nfs/dbraw/zinc/13/75/53/564137553.db2.gz LXYPJORNMAHLBQ-UHFFFAOYSA-N 1 0 326.362 3.514 50 0 EHAARO COCC[C@@H](C)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000079072633 564137831 /nfs/dbraw/zinc/13/78/31/564137831.db2.gz GAOHGKRBPGVNKH-LJQANCHMSA-N 1 0 338.495 3.819 50 0 EHAARO CC(C)Cc1nnc([C@H](C)N2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000095395018 564139418 /nfs/dbraw/zinc/13/94/18/564139418.db2.gz AWCLOIWSNZJAMV-KRWDZBQOSA-N 1 0 348.535 3.917 50 0 EHAARO COc1cccc([C@@H](O)C[NH2+][C@@H](C)Cc2nc3ccccc3s2)c1 ZINC000095422285 564140067 /nfs/dbraw/zinc/14/00/67/564140067.db2.gz FXCRFZAOVWGSLY-GUYCJALGSA-N 1 0 342.464 3.559 50 0 EHAARO Cc1cccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000095967201 564143045 /nfs/dbraw/zinc/14/30/45/564143045.db2.gz UJBZULNMUZYWDH-UHFFFAOYSA-N 1 0 326.459 3.931 50 0 EHAARO Cc1ccccc1C[C@@H](C)[NH2+]C1CCN(CCc2ccncc2)CC1 ZINC000095967586 564143054 /nfs/dbraw/zinc/14/30/54/564143054.db2.gz YPFMKPZDENFZSL-LJQANCHMSA-N 1 0 337.511 3.618 50 0 EHAARO NC(=O)N1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCCCC2)CC1 ZINC000095967585 564143093 /nfs/dbraw/zinc/14/30/93/564143093.db2.gz UADZIPQKJPCISK-UHFFFAOYSA-N 1 0 349.906 3.675 50 0 EHAARO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)cc1F ZINC000095969241 564143389 /nfs/dbraw/zinc/14/33/89/564143389.db2.gz RCHCBQFOAWWZDK-KBPBESRZSA-N 1 0 325.391 3.522 50 0 EHAARO CC(=O)Nc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000095982419 564143755 /nfs/dbraw/zinc/14/37/55/564143755.db2.gz SVXNERZYUBFOMH-OAQYLSRUSA-N 1 0 338.451 3.591 50 0 EHAARO c1cn2c(C[NH2+]Cc3cnn(-c4ccccc4)c3)c(C3CC3)nc2s1 ZINC000095984263 564143857 /nfs/dbraw/zinc/14/38/57/564143857.db2.gz CIOHQAIBBYPIMC-UHFFFAOYSA-N 1 0 349.463 3.749 50 0 EHAARO CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000096003589 564144460 /nfs/dbraw/zinc/14/44/60/564144460.db2.gz URZHKDCKLZBCFC-IAGOWNOFSA-N 1 0 327.472 3.589 50 0 EHAARO CSc1cccc(N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000096026872 564144943 /nfs/dbraw/zinc/14/49/43/564144943.db2.gz PHAIQRNDPDMYRO-UHFFFAOYSA-N 1 0 328.481 3.610 50 0 EHAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1(c2cccs2)CCCCC1 ZINC000096414311 564147693 /nfs/dbraw/zinc/14/76/93/564147693.db2.gz QDQNIZDUFYKKRA-HNNXBMFYSA-N 1 0 332.513 3.551 50 0 EHAARO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203129 564149558 /nfs/dbraw/zinc/14/95/58/564149558.db2.gz AWHORGJGMBGLKZ-UHFFFAOYSA-N 1 0 336.439 3.763 50 0 EHAARO Cc1ccc(C)c(NC(=S)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000002646430 564151790 /nfs/dbraw/zinc/15/17/90/564151790.db2.gz LAHWQRXEXXAMKI-GOSISDBHSA-N 1 0 327.497 3.893 50 0 EHAARO COc1ccc(C[N@H+](C)CCc2ccccn2)cc1Br ZINC000003110201 564155231 /nfs/dbraw/zinc/15/52/31/564155231.db2.gz QSDQJAHYOYPJMH-UHFFFAOYSA-N 1 0 335.245 3.527 50 0 EHAARO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000057869566 564156263 /nfs/dbraw/zinc/15/62/63/564156263.db2.gz INHUNAXQXDQXTD-GFCCVEGCSA-N 1 0 337.250 3.960 50 0 EHAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@H](c4ccncn4)C3)CC2)cc1 ZINC000670450083 564159393 /nfs/dbraw/zinc/15/93/93/564159393.db2.gz SMVYXGIJLHWNFZ-SFHVURJKSA-N 1 0 336.483 3.633 50 0 EHAARO c1ccc2oc([C@@H]3CCC[N@H+](C4CSCCSC4)C3)nc2c1 ZINC000670465977 564162370 /nfs/dbraw/zinc/16/23/70/564162370.db2.gz BZHIKALLQQEBEP-CYBMUJFWSA-N 1 0 334.510 3.856 50 0 EHAARO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c2ccccc2n1 ZINC000008075728 564162559 /nfs/dbraw/zinc/16/25/59/564162559.db2.gz JPMBNQWHLCSJGA-LJQANCHMSA-N 1 0 349.434 3.703 50 0 EHAARO Cc1ccc2nc(C[N@@H+](C)[C@@H]3CCCc4ccccc43)cc(=O)n2c1 ZINC000008126263 564162856 /nfs/dbraw/zinc/16/28/56/564162856.db2.gz ZFCVMDBBXZKKLA-LJQANCHMSA-N 1 0 333.435 3.512 50 0 EHAARO Cc1ccc([C@H](OC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000008156710 564163253 /nfs/dbraw/zinc/16/32/53/564163253.db2.gz ZXXQEUVMQGBVGP-FCHUYYIVSA-N 1 0 339.479 3.948 50 0 EHAARO CC(C)c1nc(C(=O)NC2(C[NH+]3CCCC3)CCCCC2)cs1 ZINC000670474122 564167052 /nfs/dbraw/zinc/16/70/52/564167052.db2.gz JXRDVDXWJOIAJV-UHFFFAOYSA-N 1 0 335.517 3.795 50 0 EHAARO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000069737740 564171784 /nfs/dbraw/zinc/17/17/84/564171784.db2.gz QCTSNVFIFNSAPH-NWDGAFQWSA-N 1 0 344.286 3.648 50 0 EHAARO CCc1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)o1 ZINC000069777749 564172188 /nfs/dbraw/zinc/17/21/88/564172188.db2.gz SUSSOXUMJWFCRN-UHFFFAOYSA-N 1 0 327.428 3.600 50 0 EHAARO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069894974 564172702 /nfs/dbraw/zinc/17/27/02/564172702.db2.gz KBIAUKMTYOKFJC-OAHLLOKOSA-N 1 0 328.441 3.573 50 0 EHAARO FC(F)(F)COCCC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000069948943 564172886 /nfs/dbraw/zinc/17/28/86/564172886.db2.gz QCDGETHNWDMEJC-UHFFFAOYSA-N 1 0 341.377 3.711 50 0 EHAARO COCc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000042201745 564174711 /nfs/dbraw/zinc/17/47/11/564174711.db2.gz NFPJZAVJULXFFZ-UHFFFAOYSA-N 1 0 325.387 3.652 50 0 EHAARO FC(F)(F)c1cccc(N2CCC([NH2+]Cc3cccnc3)CC2)c1 ZINC000071792624 564175304 /nfs/dbraw/zinc/17/53/04/564175304.db2.gz XVHNTNCLLZWLIY-UHFFFAOYSA-N 1 0 335.373 3.859 50 0 EHAARO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000071831348 564175732 /nfs/dbraw/zinc/17/57/32/564175732.db2.gz MROGASQJYKKYQG-HNNXBMFYSA-N 1 0 340.471 3.616 50 0 EHAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1c1ccccn1 ZINC000071831371 564175741 /nfs/dbraw/zinc/17/57/41/564175741.db2.gz ZUYQVFITHBWXIS-OAQYLSRUSA-N 1 0 349.478 3.657 50 0 EHAARO CC(C)CC[N@@H+]1CCC[C@@H](COc2ccccc2C(=O)NC2CC2)C1 ZINC000169765258 1032622067 /nfs/dbraw/zinc/62/20/67/1032622067.db2.gz KXQCLPARRBQCPB-QGZVFWFLSA-N 1 0 344.499 3.716 50 0 EHAARO CC(C)NC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257190625 1032784872 /nfs/dbraw/zinc/78/48/72/1032784872.db2.gz NDOXHOCNTJEWOF-GOSISDBHSA-N 1 0 329.488 3.652 50 0 EHAARO CC(C)[NH+]1CCC(C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000174438270 1022504486 /nfs/dbraw/zinc/50/44/86/1022504486.db2.gz BHUASJMVVRBZSS-UHFFFAOYSA-N 1 0 340.920 3.669 50 0 EHAARO Cc1cc([C@@](C)(O)C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)c(C)o1 ZINC000174442011 1033949004 /nfs/dbraw/zinc/94/90/04/1033949004.db2.gz QVNWMMJPHCVPCQ-IBGZPJMESA-N 1 0 347.842 3.823 50 0 EHAARO Cc1cccnc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000172101753 1034814632 /nfs/dbraw/zinc/81/46/32/1034814632.db2.gz FYDPMPPLNMGHJF-INIZCTEOSA-N 1 0 338.455 3.737 50 0 EHAARO CCC(CC)(C[NH2+][C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 ZINC000182753547 1038633391 /nfs/dbraw/zinc/63/33/91/1038633391.db2.gz BMSRZMDPUJWSSI-MRXNPFEDSA-N 1 0 343.920 3.565 50 0 EHAARO CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171440254 1040390242 /nfs/dbraw/zinc/39/02/42/1040390242.db2.gz KVZZTUSDCDYHLN-LJQANCHMSA-N 1 0 349.478 3.765 50 0 EHAARO c1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000059314157 1128372185 /nfs/dbraw/zinc/37/21/85/1128372185.db2.gz JUIURDQDANKFCW-KRWDZBQOSA-N 1 0 342.512 3.820 50 0 EHAARO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c(C)o1 ZINC000011880015 1129108034 /nfs/dbraw/zinc/10/80/34/1129108034.db2.gz WKCVNNHWTLRFLI-LJQANCHMSA-N 1 0 340.467 3.676 50 0 EHAARO OC[C@]1(Cc2ccccc2F)CCC[N@H+](CCc2ccccc2)C1 ZINC000012595713 1129440962 /nfs/dbraw/zinc/44/09/62/1129440962.db2.gz IHQMFXYVWUUMMV-NRFANRHFSA-N 1 0 327.443 3.685 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)s1 ZINC000012429981 1129922961 /nfs/dbraw/zinc/92/29/61/1129922961.db2.gz VWWJAYJVECUUSL-OAHLLOKOSA-N 1 0 330.453 3.862 50 0 EHAARO CCC[C@H](CNC(=O)c1cccc(-c2ccc(OC)cc2)c1)[NH+](C)C ZINC000822790897 1131017001 /nfs/dbraw/zinc/01/70/01/1131017001.db2.gz ILGAQPZXJCJPOY-LJQANCHMSA-N 1 0 340.467 3.822 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000581787974 1132356042 /nfs/dbraw/zinc/35/60/42/1132356042.db2.gz MPAJFIZDVZQSTG-QGZVFWFLSA-N 1 0 332.463 3.800 50 0 EHAARO COc1ccccc1C(=O)N1CCCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000581788247 1132356169 /nfs/dbraw/zinc/35/61/69/1132356169.db2.gz ZATMWGWNFWRRMG-SFHVURJKSA-N 1 0 344.499 3.812 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000581807392 1132370279 /nfs/dbraw/zinc/37/02/79/1132370279.db2.gz IKTVWPDOUSYEGH-KRWDZBQOSA-N 1 0 346.434 3.704 50 0 EHAARO Cc1c[nH+]c(CC2CCN(C(=O)c3ccsc3)CC2)n1CC1CC1 ZINC000581816757 1132374770 /nfs/dbraw/zinc/37/47/70/1132374770.db2.gz OHFZCPPYHBFJOV-UHFFFAOYSA-N 1 0 343.496 3.758 50 0 EHAARO COc1cc(OC)cc(N2CCC([NH2+]Cc3ccsc3C)CC2)c1 ZINC000585085860 1136980590 /nfs/dbraw/zinc/98/05/90/1136980590.db2.gz HCZKKPANBNSMKY-UHFFFAOYSA-N 1 0 346.496 3.832 50 0 EHAARO CO[C@](C)(c1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC000585133617 1137021784 /nfs/dbraw/zinc/02/17/84/1137021784.db2.gz NMPNAQWVCVMADP-FQEVSTJZSA-N 1 0 337.423 3.708 50 0 EHAARO COC(=O)C(C)(C)[C@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccccc1 ZINC000952848527 1137482791 /nfs/dbraw/zinc/48/27/91/1137482791.db2.gz GZXWKNRMVQJJMA-GOSISDBHSA-N 1 0 343.471 3.803 50 0 EHAARO c1cn(-c2ccccc2C[NH2+]Cc2ccc([C@H]3CCCCO3)o2)cn1 ZINC000952960266 1137483617 /nfs/dbraw/zinc/48/36/17/1137483617.db2.gz VIWUQXWBGOROTE-LJQANCHMSA-N 1 0 337.423 3.997 50 0 EHAARO CC(C)(C)c1cc(C[NH2+][C@@H]2CCCN(Cc3cccs3)C2)[nH]n1 ZINC000952965010 1137483998 /nfs/dbraw/zinc/48/39/98/1137483998.db2.gz CMKGHGNKPBZWLT-CQSZACIVSA-N 1 0 332.517 3.523 50 0 EHAARO COc1cccc(N2CCC([NH2+]Cc3cc(CC(C)C)no3)CC2)c1 ZINC000952965390 1137484032 /nfs/dbraw/zinc/48/40/32/1137484032.db2.gz PBCKUAIBBCNTAJ-UHFFFAOYSA-N 1 0 343.471 3.640 50 0 EHAARO Cc1c(CN(CC[NH+](C)C)C[C@H]2CCCO2)[nH]c2c1cccc2Cl ZINC000952978985 1137484795 /nfs/dbraw/zinc/48/47/95/1137484795.db2.gz CQYMCARAVUGBDD-OAHLLOKOSA-N 1 0 349.906 3.672 50 0 EHAARO CCOCc1ccccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000052468809 214130073 /nfs/dbraw/zinc/13/00/73/214130073.db2.gz IUELZFSNUGHJDF-UHFFFAOYSA-N 1 0 333.476 3.654 50 0 EHAARO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803507 214147345 /nfs/dbraw/zinc/14/73/45/214147345.db2.gz YULFTGLMJRFNCG-QZTJIDSGSA-N 1 0 326.465 3.905 50 0 EHAARO O=C(c1ccsc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000054363436 214234451 /nfs/dbraw/zinc/23/44/51/214234451.db2.gz RSDOAROCRSQPBA-UHFFFAOYSA-N 1 0 328.481 3.529 50 0 EHAARO CS[C@@H](C)CC[N@H+](Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055071761 214269138 /nfs/dbraw/zinc/26/91/38/214269138.db2.gz VOTGOVIWGYGPAM-HNNXBMFYSA-N 1 0 344.480 3.954 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055074535 214269906 /nfs/dbraw/zinc/26/99/06/214269906.db2.gz MTGXSQRVWMLQKQ-AWEZNQCLSA-N 1 0 344.402 3.935 50 0 EHAARO COc1cccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000055171832 214283552 /nfs/dbraw/zinc/28/35/52/214283552.db2.gz JNELSFONNRTYDO-UHFFFAOYSA-N 1 0 347.418 3.632 50 0 EHAARO CCc1oc(C(=O)N(C)[C@H](C)c2ccon2)cc1C[NH+](CC)CC ZINC000055269811 214297848 /nfs/dbraw/zinc/29/78/48/214297848.db2.gz IBWMTFSYSQRBCS-CYBMUJFWSA-N 1 0 333.432 3.505 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2c(C)cc(C)c(CO)c2C)c1 ZINC000055243765 214294086 /nfs/dbraw/zinc/29/40/86/214294086.db2.gz AZJFLKUPZNLANM-KRWDZBQOSA-N 1 0 326.484 3.871 50 0 EHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000056168375 214363022 /nfs/dbraw/zinc/36/30/22/214363022.db2.gz NJJLBHFGSABEQL-YJBOKZPZSA-N 1 0 333.435 3.733 50 0 EHAARO c1cc(-c2nc(C[NH2+]CCc3cn4c(n3)CCCC4)cs2)cs1 ZINC000097922860 219059572 /nfs/dbraw/zinc/05/95/72/219059572.db2.gz RKFWUIBZYSOKTI-UHFFFAOYSA-N 1 0 344.509 3.737 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C=C\c2cnccn2)cc1 ZINC000098055106 219074095 /nfs/dbraw/zinc/07/40/95/219074095.db2.gz REDINWVELYUWCN-ZBTGYSDGSA-N 1 0 336.439 3.503 50 0 EHAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000065362314 214875345 /nfs/dbraw/zinc/87/53/45/214875345.db2.gz TVMQFKDXJLERAI-UHFFFAOYSA-N 1 0 328.387 3.551 50 0 EHAARO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000066405358 215038392 /nfs/dbraw/zinc/03/83/92/215038392.db2.gz YDBVXYIKQVIIFH-LLVKDONJSA-N 1 0 336.233 3.731 50 0 EHAARO C[NH+](C)[C@@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccco1 ZINC000003452269 210044335 /nfs/dbraw/zinc/04/43/35/210044335.db2.gz CPPIOCPRIDRRDR-ZDUSSCGKSA-N 1 0 342.468 3.878 50 0 EHAARO CC[NH+]1CCC2(CC1)N=C(c1ccc(C(C)(C)C)cc1)C(=S)N2 ZINC000067172584 215120219 /nfs/dbraw/zinc/12/02/19/215120219.db2.gz ZURTZBCOVSCFLB-UHFFFAOYSA-N 1 0 329.513 3.927 50 0 EHAARO Cc1c2ccccc2oc1C[N@@H+]1CC[C@@H](CNC(=O)c2ccco2)C1 ZINC000067587700 215164782 /nfs/dbraw/zinc/16/47/82/215164782.db2.gz PHQPTRWOXJGJGZ-HNNXBMFYSA-N 1 0 338.407 3.586 50 0 EHAARO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000067723693 215195088 /nfs/dbraw/zinc/19/50/88/215195088.db2.gz UKLKLYLHFQVLSL-HNNXBMFYSA-N 1 0 345.874 3.626 50 0 EHAARO Cc1nnc(-c2ccccc2-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)s1 ZINC000067725739 215195650 /nfs/dbraw/zinc/19/56/50/215195650.db2.gz KWGAQYABSUWQKE-CQSZACIVSA-N 1 0 337.448 3.751 50 0 EHAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000067725236 215196187 /nfs/dbraw/zinc/19/61/87/215196187.db2.gz SVWXUNAVYLTEAW-UHFFFAOYSA-N 1 0 336.414 3.990 50 0 EHAARO COc1cccc2c(C)cc(-c3cc(C)cc4c3O[C@@H](C[NH3+])C4)nc12 ZINC000067740886 215198721 /nfs/dbraw/zinc/19/87/21/215198721.db2.gz ANKCHQFRKPLRHC-OAHLLOKOSA-N 1 0 334.419 3.789 50 0 EHAARO C[C@H](c1cc2ccccc2[nH]1)[N@H+](C)CCC(=O)Nc1nccs1 ZINC000067821488 215223491 /nfs/dbraw/zinc/22/34/91/215223491.db2.gz MZRHBFDHISHQQW-GFCCVEGCSA-N 1 0 328.441 3.646 50 0 EHAARO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cccc3c(C)c(C)[nH]c32)C1 ZINC000067878448 215237692 /nfs/dbraw/zinc/23/76/92/215237692.db2.gz TVNRUHVCOXOXRF-KRWDZBQOSA-N 1 0 327.472 3.523 50 0 EHAARO Cc1ccc2cc(C[N@@H+](C)[C@@H](C)Cc3ncccc3C)c(=O)[nH]c2c1 ZINC000067872482 215237895 /nfs/dbraw/zinc/23/78/95/215237895.db2.gz RKZOOZJFALFXMM-INIZCTEOSA-N 1 0 335.451 3.603 50 0 EHAARO Cc1ccnc([C@@H](Nc2cc(C3CC[NH2+]CC3)nc(C)n2)C2CC2)c1 ZINC000067894753 215243361 /nfs/dbraw/zinc/24/33/61/215243361.db2.gz OMOKLJDSEYENSE-FQEVSTJZSA-N 1 0 337.471 3.519 50 0 EHAARO C[C@H](Cn1ccnc1)[NH2+]Cc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067908637 215246535 /nfs/dbraw/zinc/24/65/35/215246535.db2.gz VHBDYOAZFRZDNM-CYBMUJFWSA-N 1 0 344.365 3.527 50 0 EHAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067975129 215265314 /nfs/dbraw/zinc/26/53/14/215265314.db2.gz PCNQBPFMZDJYFQ-LBPRGKRZSA-N 1 0 327.815 3.770 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H](C)n1cccn1 ZINC000069368764 215390018 /nfs/dbraw/zinc/39/00/18/215390018.db2.gz GZFMWPFVHNFBDW-IAGOWNOFSA-N 1 0 336.439 3.596 50 0 EHAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(OCc2cscn2)cc1)n1cccn1 ZINC000069372320 215390948 /nfs/dbraw/zinc/39/09/48/215390948.db2.gz XBUBDOHFJRWOSE-LSDHHAIUSA-N 1 0 342.468 3.658 50 0 EHAARO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccccc3)cc2F)CC1 ZINC000069534158 215464963 /nfs/dbraw/zinc/46/49/63/215464963.db2.gz BFERBUFNQBYUTB-UHFFFAOYSA-N 1 0 341.430 3.608 50 0 EHAARO COC(=O)c1ccc(OCC[N@@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000040153471 213274318 /nfs/dbraw/zinc/27/43/18/213274318.db2.gz BLSFHBRCJBUVAE-CYBMUJFWSA-N 1 0 331.437 3.533 50 0 EHAARO CCC[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COc1ccccc1C ZINC000036100237 213067448 /nfs/dbraw/zinc/06/74/48/213067448.db2.gz ZBECODKCJWAXNP-LJQANCHMSA-N 1 0 343.467 3.656 50 0 EHAARO COc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C ZINC000036096217 213063836 /nfs/dbraw/zinc/06/38/36/213063836.db2.gz FVJIPXPVFRQWST-LJQANCHMSA-N 1 0 337.504 3.577 50 0 EHAARO CCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036031570 213056376 /nfs/dbraw/zinc/05/63/76/213056376.db2.gz JDUREUPXUMQFSU-INIZCTEOSA-N 1 0 337.847 3.893 50 0 EHAARO Cc1cccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1 ZINC000072085313 216005518 /nfs/dbraw/zinc/00/55/18/216005518.db2.gz JGTPFUFNCGBTSB-UHFFFAOYSA-N 1 0 344.886 3.781 50 0 EHAARO C[NH+]1CCC(N(Cc2ccncc2)Cc2cc(F)cc(Cl)c2)CC1 ZINC000072132048 216020650 /nfs/dbraw/zinc/02/06/50/216020650.db2.gz MEDZOIKTMAJWNT-UHFFFAOYSA-N 1 0 347.865 3.971 50 0 EHAARO Cc1cc(N2CCCN(Cc3coc(-c4ccccc4)n3)CC2)cc[nH+]1 ZINC000072135366 216024044 /nfs/dbraw/zinc/02/40/44/216024044.db2.gz XREYAWZKYKUZSI-UHFFFAOYSA-N 1 0 348.450 3.757 50 0 EHAARO COc1coc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)cc1=O ZINC000072161997 216049954 /nfs/dbraw/zinc/04/99/54/216049954.db2.gz WHXBGWZOCHJDCI-MRXNPFEDSA-N 1 0 345.414 3.632 50 0 EHAARO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)c1 ZINC000072154035 216044459 /nfs/dbraw/zinc/04/44/59/216044459.db2.gz LUSFVAIUDDLUNV-IBGZPJMESA-N 1 0 325.408 3.819 50 0 EHAARO COc1ccc(NC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)cc1Cl ZINC000072158166 216048078 /nfs/dbraw/zinc/04/80/78/216048078.db2.gz LAPNARKBHQZJSN-GFCCVEGCSA-N 1 0 330.815 3.678 50 0 EHAARO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2nnc(C3CC3)o2)cc1 ZINC000072169305 216060814 /nfs/dbraw/zinc/06/08/14/216060814.db2.gz XOTWHRBFMBNVKD-INIZCTEOSA-N 1 0 327.428 3.640 50 0 EHAARO C[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1c[nH]c2cc(=O)ccc-2c1 ZINC000072410676 216202123 /nfs/dbraw/zinc/20/21/23/216202123.db2.gz GDVIDHUSKOJPPZ-UHFFFAOYSA-N 1 0 344.418 3.758 50 0 EHAARO COc1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3F)C1)OCO2 ZINC000072475448 216253205 /nfs/dbraw/zinc/25/32/05/216253205.db2.gz QEBWPOLZFCIUCR-ZDUSSCGKSA-N 1 0 329.371 3.553 50 0 EHAARO O=C(Cc1ccc2ccccc2c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000027333642 212553066 /nfs/dbraw/zinc/55/30/66/212553066.db2.gz OSFWPAUSGLQFET-FQEVSTJZSA-N 1 0 348.446 3.929 50 0 EHAARO CC(C)[C@H](CNC(=O)c1cc2c(s1)-c1ccccc1OC2)[NH+](C)C ZINC000025451390 212482433 /nfs/dbraw/zinc/48/24/33/212482433.db2.gz LEQRBIPOEJIQAF-HNNXBMFYSA-N 1 0 344.480 3.624 50 0 EHAARO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000038075771 213200674 /nfs/dbraw/zinc/20/06/74/213200674.db2.gz XGQPHRIIGKAJJM-NSHDSACASA-N 1 0 329.271 3.903 50 0 EHAARO c1ccc2c(c1)cccc2C[C@@H]1C[N@@H+](C2CCSCC2)CCO1 ZINC000023339933 212369427 /nfs/dbraw/zinc/36/94/27/212369427.db2.gz RYCHNRPLIGGQMR-LJQANCHMSA-N 1 0 327.493 3.979 50 0 EHAARO Fc1ccc([C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH2+]CC2)cc1 ZINC000022121251 212277586 /nfs/dbraw/zinc/27/75/86/212277586.db2.gz KDUNGCWAFFIALD-KRWDZBQOSA-N 1 0 338.348 3.839 50 0 EHAARO CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000195558537 241007908 /nfs/dbraw/zinc/00/79/08/241007908.db2.gz HFFBJQXETUQTFZ-DLBZAZTESA-N 1 0 333.476 3.912 50 0 EHAARO O=C(c1ccccn1)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000216036579 241161345 /nfs/dbraw/zinc/16/13/45/241161345.db2.gz MWGAPCJLOGUGLZ-QGZVFWFLSA-N 1 0 346.434 3.567 50 0 EHAARO COc1ccc(CN(C)Cc2csc(C)n2)cc1C[NH+]1CCCC1 ZINC000216254060 241176825 /nfs/dbraw/zinc/17/68/25/241176825.db2.gz WDONLBKROOFYSB-UHFFFAOYSA-N 1 0 345.512 3.688 50 0 EHAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2nccs2)[C@@H]2CCCC[C@@H]21 ZINC000215408543 241122376 /nfs/dbraw/zinc/12/23/76/241122376.db2.gz DRZUHKCRYOPEMH-YQVWRLOYSA-N 1 0 328.481 3.795 50 0 EHAARO COCC[N@H+](Cc1ccncc1)Cc1c(C)cc(OC)c(C)c1C ZINC000215548654 241130840 /nfs/dbraw/zinc/13/08/40/241130840.db2.gz UIELLULMWCAJSN-UHFFFAOYSA-N 1 0 328.456 3.664 50 0 EHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000225472041 241882350 /nfs/dbraw/zinc/88/23/50/241882350.db2.gz HLAQTGXCTIMJCD-GXFFZTMASA-N 1 0 349.887 3.559 50 0 EHAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000021720912 212243789 /nfs/dbraw/zinc/24/37/89/212243789.db2.gz PHSYYIBPNVYYIX-KRWDZBQOSA-N 1 0 330.428 3.900 50 0 EHAARO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cc(C)n(C)n1)OC(C)C ZINC000242324492 243017045 /nfs/dbraw/zinc/01/70/45/243017045.db2.gz ZBTGKPRWCSPZJK-DNVCBOLYSA-N 1 0 331.460 3.554 50 0 EHAARO COc1ccc(OCC2CC[NH+](Cc3ccncc3C)CC2)cc1 ZINC000243932077 243032837 /nfs/dbraw/zinc/03/28/37/243032837.db2.gz BSGHRTXPDADXHL-UHFFFAOYSA-N 1 0 326.440 3.690 50 0 EHAARO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000253630240 244041461 /nfs/dbraw/zinc/04/14/61/244041461.db2.gz PGOVWNRZGZGMPF-YJBOKZPZSA-N 1 0 333.439 3.807 50 0 EHAARO Cc1cccnc1C[C@@H](C)N(C)C(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020149325 212106521 /nfs/dbraw/zinc/10/65/21/212106521.db2.gz NMCIFNLODLKHFE-HUUCEWRRSA-N 1 0 343.496 3.579 50 0 EHAARO CCOc1c(Cl)cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000019871847 212077387 /nfs/dbraw/zinc/07/73/87/212077387.db2.gz XSOXWLLLSNOJGJ-ACJLOTCBSA-N 1 0 349.858 3.959 50 0 EHAARO CCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 ZINC000016604304 211918584 /nfs/dbraw/zinc/91/85/84/211918584.db2.gz CVIDXSVKBVNXKP-MRXNPFEDSA-N 1 0 332.488 3.568 50 0 EHAARO CC(C)n1cc(CCCC(=O)NCCC[NH+](C)C)c2ccccc21 ZINC000079484535 217231638 /nfs/dbraw/zinc/23/16/38/217231638.db2.gz OXDAAVDLEVVGPL-UHFFFAOYSA-N 1 0 329.488 3.613 50 0 EHAARO O=C(CC[C@@H]1CCC[N@@H+](C23CC4CC(CC(C4)C2)C3)C1)NC1CC1 ZINC000012430620 211377357 /nfs/dbraw/zinc/37/73/57/211377357.db2.gz OJHHAGUGMFYKFQ-SIHNGCNOSA-N 1 0 330.516 3.726 50 0 EHAARO CC(C)=CC[NH+]1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012456454 211386814 /nfs/dbraw/zinc/38/68/14/211386814.db2.gz KJQQUWLKTODGCK-UHFFFAOYSA-N 1 0 326.440 3.677 50 0 EHAARO Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH2+]C2CCOCC2)cc1 ZINC000012437785 211382039 /nfs/dbraw/zinc/38/20/39/211382039.db2.gz PAUHWPXTIHBWTO-IBGZPJMESA-N 1 0 339.483 3.963 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@H](CC)C1 ZINC000089948853 217894485 /nfs/dbraw/zinc/89/44/85/217894485.db2.gz PAGJQNQOABTBGA-DYVFJYSZSA-N 1 0 332.419 3.699 50 0 EHAARO C[NH+](C)CCCSc1nc2scc(-c3ccccc3)c2c(N)n1 ZINC000012324803 211347876 /nfs/dbraw/zinc/34/78/76/211347876.db2.gz OKCAYGVDFVKZKO-UHFFFAOYSA-N 1 0 344.509 3.984 50 0 EHAARO Cc1nc(N2CCC[C@H]([NH2+]C3CCCC3)CC2)nc2ccc(F)cc12 ZINC000012325208 211347899 /nfs/dbraw/zinc/34/78/99/211347899.db2.gz ZLKSGQCFIBVRET-KRWDZBQOSA-N 1 0 342.462 3.968 50 0 EHAARO Cc1ccc(N[C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)cc1C ZINC000012318814 211344848 /nfs/dbraw/zinc/34/48/48/211344848.db2.gz QOADCYVFTWHZIK-FQEVSTJZSA-N 1 0 343.515 3.582 50 0 EHAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000012025864 211281326 /nfs/dbraw/zinc/28/13/26/211281326.db2.gz KXUFGOBGMCJJBH-QGZVFWFLSA-N 1 0 343.496 3.590 50 0 EHAARO O=C1N(CC2CCC2)CCC[C@]12CC[N@@H+](Cc1ccc(F)cc1F)C2 ZINC000012005618 211279809 /nfs/dbraw/zinc/27/98/09/211279809.db2.gz DABRHCUUWLNIBV-HXUWFJFHSA-N 1 0 348.437 3.579 50 0 EHAARO CC(C)=CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011953099 211273682 /nfs/dbraw/zinc/27/36/82/211273682.db2.gz WVOLGQCZENDEOB-HXUWFJFHSA-N 1 0 330.447 3.606 50 0 EHAARO COCC[C@]1(CO)CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000091475760 218012279 /nfs/dbraw/zinc/01/22/79/218012279.db2.gz NMTFKWFZXAEEBL-OAQYLSRUSA-N 1 0 347.499 3.619 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2[nH]c3c(c2C)c(C)ccc3C)C1 ZINC000091624569 218032937 /nfs/dbraw/zinc/03/29/37/218032937.db2.gz HRFFMYSLFQZWPV-INIZCTEOSA-N 1 0 327.472 3.649 50 0 EHAARO Oc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2nc(C3CC3)no2)cc1 ZINC000011843520 211256189 /nfs/dbraw/zinc/25/61/89/211256189.db2.gz BHAIZLZHMWXNKM-INIZCTEOSA-N 1 0 327.428 3.640 50 0 EHAARO CNc1nc(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)cc(C)[nH+]1 ZINC000091643532 218036711 /nfs/dbraw/zinc/03/67/11/218036711.db2.gz AFLMTGBKBXJKLK-INIZCTEOSA-N 1 0 346.438 3.773 50 0 EHAARO COCCn1ccnc1[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000091808374 218069347 /nfs/dbraw/zinc/06/93/47/218069347.db2.gz PZGHAIGOKZGWSA-QGZVFWFLSA-N 1 0 345.512 3.501 50 0 EHAARO Cc1ccsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000091745654 218057282 /nfs/dbraw/zinc/05/72/82/218057282.db2.gz MKYOJQBUYNSFDB-ZWKOTPCHSA-N 1 0 340.492 3.680 50 0 EHAARO O=C1NCCC[C@]12CC[N@H+](Cc1ccc(SC3CCCCC3)o1)C2 ZINC000091755215 218059351 /nfs/dbraw/zinc/05/93/51/218059351.db2.gz URMSIBBMUKQMCD-LJQANCHMSA-N 1 0 348.512 3.807 50 0 EHAARO COc1ccc([C@@H]2CN(Cc3cc(C)cc(F)c3)C[C@H]2[NH+](C)C)cc1 ZINC000092096512 218118676 /nfs/dbraw/zinc/11/86/76/218118676.db2.gz XKIMIVJMVHBFMJ-LEWJYISDSA-N 1 0 342.458 3.672 50 0 EHAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCc1ccccc1Cl ZINC000010311016 211161532 /nfs/dbraw/zinc/16/15/32/211161532.db2.gz ZDXOOOPBRTXNHX-SFHVURJKSA-N 1 0 328.843 3.793 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCc2sccc2C1 ZINC000010037014 211143678 /nfs/dbraw/zinc/14/36/78/211143678.db2.gz LVSGUIRUYZENDW-CQSZACIVSA-N 1 0 332.494 3.531 50 0 EHAARO COc1cc2ccccc2cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000009910961 211133649 /nfs/dbraw/zinc/13/36/49/211133649.db2.gz IEXIQFRAKPYXGD-FQEVSTJZSA-N 1 0 348.446 3.881 50 0 EHAARO CCOc1ccc([C@H](C)NC(=O)CCC[NH+]2CCCCC2)cc1F ZINC000095352138 218285707 /nfs/dbraw/zinc/28/57/07/218285707.db2.gz HYVWXDKWZBDECQ-HNNXBMFYSA-N 1 0 336.451 3.668 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000008775658 211004618 /nfs/dbraw/zinc/00/46/18/211004618.db2.gz UXEQNONFRABXDB-UHFFFAOYSA-N 1 0 348.450 3.737 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)[C@H](C)c1ccccc1 ZINC000095420589 218362239 /nfs/dbraw/zinc/36/22/39/218362239.db2.gz AMWPFLOGBFBAJX-JKSUJKDBSA-N 1 0 331.481 3.513 50 0 EHAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(OC2CCOCC2)cc1 ZINC000095423080 218365322 /nfs/dbraw/zinc/36/53/22/218365322.db2.gz YOMBXNRHEQVBRK-GAZPGATBSA-N 1 0 345.483 3.709 50 0 EHAARO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1ccc2ccccc2c1 ZINC000095429251 218371898 /nfs/dbraw/zinc/37/18/98/218371898.db2.gz NKRDGTCEIMXJBH-UHFFFAOYSA-N 1 0 333.435 3.612 50 0 EHAARO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1csc2ccccc12 ZINC000095429252 218372150 /nfs/dbraw/zinc/37/21/50/218372150.db2.gz FYOFQCBDDPTYDC-UHFFFAOYSA-N 1 0 339.464 3.674 50 0 EHAARO Cc1c(C[NH2+]Cc2ccnc(Oc3ccc(C)c(C)c3)c2)cnn1C ZINC000095439972 218383854 /nfs/dbraw/zinc/38/38/54/218383854.db2.gz RYNDTGMCPOFEQU-UHFFFAOYSA-N 1 0 336.439 3.822 50 0 EHAARO CSc1ccc(/C=C\C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000006459555 210636930 /nfs/dbraw/zinc/63/69/30/210636930.db2.gz VIVFENXCHAXTMW-FLIBITNWSA-N 1 0 332.513 3.847 50 0 EHAARO Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000096473114 218851206 /nfs/dbraw/zinc/85/12/06/218851206.db2.gz YMVLWZZRHBRCRE-ZDUSSCGKSA-N 1 0 339.505 3.749 50 0 EHAARO O=C(c1ccco1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000005092860 210388743 /nfs/dbraw/zinc/38/87/43/210388743.db2.gz UUGBPZANHDWCAU-UHFFFAOYSA-N 1 0 338.451 3.764 50 0 EHAARO C[C@@H](C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000005045782 210372768 /nfs/dbraw/zinc/37/27/68/210372768.db2.gz POCKRBZBJVJKGH-ROUUACIJSA-N 1 0 328.500 3.761 50 0 EHAARO COc1ccc(-c2ccc(NC(=O)NCC[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000097243692 219003923 /nfs/dbraw/zinc/00/39/23/219003923.db2.gz FPRHOFOGACYHQZ-QGZVFWFLSA-N 1 0 339.439 3.626 50 0 EHAARO O=C(CN1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F ZINC000004857051 210303438 /nfs/dbraw/zinc/30/34/38/210303438.db2.gz YSFXRRUGJGSIOZ-UHFFFAOYSA-N 1 0 334.341 3.702 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2cc(F)cc(F)c2Cl)C1 ZINC000097604136 219040354 /nfs/dbraw/zinc/04/03/54/219040354.db2.gz PKJMATZGPLZDMP-JTQLQIEISA-N 1 0 343.805 3.709 50 0 EHAARO c1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)nc1 ZINC000004755608 210272626 /nfs/dbraw/zinc/27/26/26/210272626.db2.gz LCFIUIWCUVHYII-UHFFFAOYSA-N 1 0 335.455 3.529 50 0 EHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCC1(c2ccccc2F)CCCC1 ZINC000299780013 258088897 /nfs/dbraw/zinc/08/88/97/258088897.db2.gz JITTXDZQNFIMAR-GOSISDBHSA-N 1 0 332.463 3.628 50 0 EHAARO Cc1scc(CCNC(=O)C2CC[NH+](C3CCCC3)CC2)c1C ZINC000299791219 258096718 /nfs/dbraw/zinc/09/67/18/258096718.db2.gz CDCADUGDBLWLQG-UHFFFAOYSA-N 1 0 334.529 3.678 50 0 EHAARO CCn1nccc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299756366 258074845 /nfs/dbraw/zinc/07/48/45/258074845.db2.gz GZMNWFVHLYDTCR-JZXOWHBKSA-N 1 0 349.438 3.646 50 0 EHAARO C[C@@H](CC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000123386007 222269391 /nfs/dbraw/zinc/26/93/91/222269391.db2.gz FYPSKJMXYKBVMB-WODVXLOZSA-N 1 0 336.398 3.847 50 0 EHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 ZINC000253369639 524577016 /nfs/dbraw/zinc/57/70/16/524577016.db2.gz GADHFPKRFSFWLG-OAGGEKHMSA-N 1 0 348.512 3.575 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000269285201 524843252 /nfs/dbraw/zinc/84/32/52/524843252.db2.gz SBFMMXKIVZUZAG-JLUCKKNBSA-N 1 0 341.282 3.683 50 0 EHAARO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000187478604 526647049 /nfs/dbraw/zinc/64/70/49/526647049.db2.gz IKGPIQDZDOUWSK-LBPRGKRZSA-N 1 0 348.796 3.659 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000237295197 536464552 /nfs/dbraw/zinc/46/45/52/536464552.db2.gz HYCVULZFQKKRND-ZIAGYGMSSA-N 1 0 342.405 3.657 50 0 EHAARO CCc1cnc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000195558549 536054310 /nfs/dbraw/zinc/05/43/10/536054310.db2.gz MEDWQVACEVMUFX-ZDUSSCGKSA-N 1 0 339.505 3.585 50 0 EHAARO COc1ccc(C[NH2+]Cc2cc(Cl)cs2)c(OC)c1OC ZINC000193012000 564114177 /nfs/dbraw/zinc/11/41/77/564114177.db2.gz HYXAFKZHRHJHNM-UHFFFAOYSA-N 1 0 327.833 3.717 50 0 EHAARO COc1cc(C)c(C[NH+]2CCN(c3ccccc3F)CC2)cc1C ZINC000000241277 563264991 /nfs/dbraw/zinc/26/49/91/563264991.db2.gz WMHRNVDPSNRMFQ-UHFFFAOYSA-N 1 0 328.431 3.773 50 0 EHAARO C[N@H+](CCOC(=O)c1ccccc1Br)Cc1ccccc1 ZINC000000315216 563282448 /nfs/dbraw/zinc/28/24/48/563282448.db2.gz RJJFWSWWVPIZAR-UHFFFAOYSA-N 1 0 348.240 3.738 50 0 EHAARO Cc1ccccc1-c1cc(C(=O)NCC[NH+](C)C)c2ccccc2n1 ZINC000000527689 563341790 /nfs/dbraw/zinc/34/17/90/563341790.db2.gz ZYQVNUUJPFNXPI-UHFFFAOYSA-N 1 0 333.435 3.502 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+]2CCC(C)CC2)CCCC1 ZINC000000571505 563349609 /nfs/dbraw/zinc/34/96/09/563349609.db2.gz DWCJGYVSROLRDX-GOSISDBHSA-N 1 0 340.511 3.921 50 0 EHAARO C[NH+](C)CCOC(=O)[C@@H](C[C@@H]1CCCO1)c1cccc2ccccc21 ZINC000005674775 563545198 /nfs/dbraw/zinc/54/51/98/563545198.db2.gz WINDMCCYDFPNPV-PXNSSMCTSA-N 1 0 341.451 3.597 50 0 EHAARO CCC(=O)Nc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000071907507 563567034 /nfs/dbraw/zinc/56/70/34/563567034.db2.gz GGUZRJMZIPKWPC-HNNXBMFYSA-N 1 0 331.460 3.547 50 0 EHAARO CCOC(=O)C1CC[NH+](CCOc2cc(C(C)C)ccc2C)CC1 ZINC000006702126 563580448 /nfs/dbraw/zinc/58/04/48/563580448.db2.gz BWOGMYHWIMBCEU-UHFFFAOYSA-N 1 0 333.472 3.772 50 0 EHAARO COc1ccccc1C[NH2+][C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000012575606 563663381 /nfs/dbraw/zinc/66/33/81/563663381.db2.gz SOSRHNQUHDYSSX-SFHVURJKSA-N 1 0 346.434 3.714 50 0 EHAARO O=C(c1ccc(Cl)cc1)c1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000014631468 563762373 /nfs/dbraw/zinc/76/23/73/563762373.db2.gz IMBMOPQQWSJSJN-UHFFFAOYSA-N 1 0 329.827 3.949 50 0 EHAARO CN(Cc1ccccc1)c1ncccc1C[NH2+]C1CCSCC1 ZINC000014966549 563768658 /nfs/dbraw/zinc/76/86/58/563768658.db2.gz HMTGHBZQGONOLG-UHFFFAOYSA-N 1 0 327.497 3.703 50 0 EHAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000014971916 563768994 /nfs/dbraw/zinc/76/89/94/563768994.db2.gz NQTVLPJAGRQXGN-QGZVFWFLSA-N 1 0 344.503 3.861 50 0 EHAARO COCCNC(=O)CCC1CC[NH+](C[C@@H](C)CCC=C(C)C)CC1 ZINC000015064249 563774685 /nfs/dbraw/zinc/77/46/85/563774685.db2.gz YUPSMDLALAOUCX-SFHVURJKSA-N 1 0 338.536 3.624 50 0 EHAARO c1cc(-c2noc3c2C[N@H+](CC2CCCC2)CC3)cc2c1OCO2 ZINC000015071437 563775932 /nfs/dbraw/zinc/77/59/32/563775932.db2.gz KEJYTRJIOPCLRC-UHFFFAOYSA-N 1 0 326.396 3.619 50 0 EHAARO CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000015860238 563796468 /nfs/dbraw/zinc/79/64/68/563796468.db2.gz SZCPIGYVCIKMIS-SFHVURJKSA-N 1 0 342.439 3.554 50 0 EHAARO CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000015860237 563796627 /nfs/dbraw/zinc/79/66/27/563796627.db2.gz SZCPIGYVCIKMIS-GOSISDBHSA-N 1 0 342.439 3.554 50 0 EHAARO C[C@H](c1cccs1)N(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167012 563856465 /nfs/dbraw/zinc/85/64/65/563856465.db2.gz BOTLDFFQHMDJME-HUUCEWRRSA-N 1 0 347.484 3.881 50 0 EHAARO O=C(C[N@@H+](CCO)C1CCCCC1)Nc1c(Cl)cccc1Cl ZINC000069842794 563857516 /nfs/dbraw/zinc/85/75/16/563857516.db2.gz WRIWPVYKMQOKRR-UHFFFAOYSA-N 1 0 345.270 3.559 50 0 EHAARO c1ccc(N2CCN([C@H]3CCC[N@H+](C4CCCCCC4)C3)CC2)cc1 ZINC000020448795 563859345 /nfs/dbraw/zinc/85/93/45/563859345.db2.gz GRCXRDVCGRKLAD-QFIPXVFZSA-N 1 0 341.543 3.996 50 0 EHAARO Cc1ccc(CNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C)c1 ZINC000072001815 563860000 /nfs/dbraw/zinc/86/00/00/563860000.db2.gz HOTYGZRLINAZJE-LJQANCHMSA-N 1 0 343.446 3.545 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)cc2c1C ZINC000025328939 563883324 /nfs/dbraw/zinc/88/33/24/563883324.db2.gz MBIJLCJZXJNFJF-SFHVURJKSA-N 1 0 341.480 3.879 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000025608095 563886463 /nfs/dbraw/zinc/88/64/63/563886463.db2.gz OADQWGLWQOONDQ-ZDUSSCGKSA-N 1 0 342.386 3.800 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1OC)c1ccccc1 ZINC000028291905 563902183 /nfs/dbraw/zinc/90/21/83/563902183.db2.gz PJCLMHIAPHCYTO-SFHVURJKSA-N 1 0 326.440 3.508 50 0 EHAARO CCOc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000028293137 563902242 /nfs/dbraw/zinc/90/22/42/563902242.db2.gz MSVXUEUIRHPERU-LJQANCHMSA-N 1 0 338.451 3.652 50 0 EHAARO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000029487198 563906788 /nfs/dbraw/zinc/90/67/88/563906788.db2.gz CMNFIWZFMHVNFI-NRFANRHFSA-N 1 0 349.478 3.845 50 0 EHAARO Fc1ccc(CC2CC[NH+](C3CSCCSC3)CC2)cc1 ZINC000032523711 563913821 /nfs/dbraw/zinc/91/38/21/563913821.db2.gz YZGKVTOGBIOKKL-UHFFFAOYSA-N 1 0 325.518 3.929 50 0 EHAARO O=C(CCCc1cccs1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000032911540 563914432 /nfs/dbraw/zinc/91/44/32/563914432.db2.gz UFCNEJNBGBKSCI-GOSISDBHSA-N 1 0 342.508 3.852 50 0 EHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)s1 ZINC000076060328 563921450 /nfs/dbraw/zinc/92/14/50/563921450.db2.gz GMFQJTWIUIBIMJ-SNVBAGLBSA-N 1 0 330.379 3.573 50 0 EHAARO COc1cccc(C[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000058167669 563938850 /nfs/dbraw/zinc/93/88/50/563938850.db2.gz AZJOQEPZLSHYRF-LLVKDONJSA-N 1 0 336.794 3.605 50 0 EHAARO O=C(N[C@H]1CCOc2ccccc21)c1cccc(C[NH+]2CCCC2)c1 ZINC000058406687 563945050 /nfs/dbraw/zinc/94/50/50/563945050.db2.gz MNYWQCNCKLBQHW-IBGZPJMESA-N 1 0 336.435 3.536 50 0 EHAARO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000058419406 563945700 /nfs/dbraw/zinc/94/57/00/563945700.db2.gz KXJUJDGUXFPBBY-OAQYLSRUSA-N 1 0 347.462 3.769 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000058421565 563945829 /nfs/dbraw/zinc/94/58/29/563945829.db2.gz JPHJCQNDDMEGPP-KRWDZBQOSA-N 1 0 330.451 3.526 50 0 EHAARO C[NH+](C)CCN(CC1CCCCC1)C(=O)Nc1ccc(F)cc1F ZINC000058434737 563946497 /nfs/dbraw/zinc/94/64/97/563946497.db2.gz NONUZBFTBZMAAK-UHFFFAOYSA-N 1 0 339.430 3.941 50 0 EHAARO COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1OC1CCCC1 ZINC000096477082 563955070 /nfs/dbraw/zinc/95/50/70/563955070.db2.gz BLRRURKHTIOCPP-CQSZACIVSA-N 1 0 329.444 3.601 50 0 EHAARO C[C@@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)Cc1cccs1 ZINC000096478492 563955120 /nfs/dbraw/zinc/95/51/20/563955120.db2.gz ACORLNWPTVIWOC-ZIAGYGMSSA-N 1 0 337.510 3.681 50 0 EHAARO C[N@@H+](Cc1ccccc1-n1cccn1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000063846518 563956120 /nfs/dbraw/zinc/95/61/20/563956120.db2.gz SRYDHSUQMLZQGY-AZUAARDMSA-N 1 0 338.499 3.569 50 0 EHAARO CCOc1cccc(C[N@H+](CCO)Cc2ccc3ccccc3n2)c1 ZINC000063856906 563956284 /nfs/dbraw/zinc/95/62/84/563956284.db2.gz XEWXETBYCAOLPJ-UHFFFAOYSA-N 1 0 336.435 3.628 50 0 EHAARO Cc1cccnc1[C@H]([NH2+]CC(=O)NC1CCCCCCC1)C1CC1 ZINC000065371489 563958460 /nfs/dbraw/zinc/95/84/60/563958460.db2.gz ZUPGNWQFXLSONC-HXUWFJFHSA-N 1 0 329.488 3.660 50 0 EHAARO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000065419705 563960535 /nfs/dbraw/zinc/96/05/35/563960535.db2.gz LVOJFDRTLOVGRY-CQSZACIVSA-N 1 0 326.425 3.839 50 0 EHAARO C[C@H](c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1)[NH+]1CCOCC1 ZINC000065429305 563960824 /nfs/dbraw/zinc/96/08/24/563960824.db2.gz CDAVERRQIONXAY-OAHLLOKOSA-N 1 0 334.419 3.588 50 0 EHAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000071661683 563964738 /nfs/dbraw/zinc/96/47/38/563964738.db2.gz ZGSBXBVISGIJFK-GOSISDBHSA-N 1 0 333.435 3.700 50 0 EHAARO CC(C)c1nccc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)n1 ZINC000071751608 563965089 /nfs/dbraw/zinc/96/50/89/563965089.db2.gz OAYHYHWQWLIFOQ-IBGZPJMESA-N 1 0 330.520 3.542 50 0 EHAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@H](C)CC(C)C ZINC000071774461 563965693 /nfs/dbraw/zinc/96/56/93/563965693.db2.gz ZZKCLXSNLOLMPJ-CQSZACIVSA-N 1 0 345.487 3.513 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)c1 ZINC000097016613 563966720 /nfs/dbraw/zinc/96/67/20/563966720.db2.gz MVUGQPNNMTWICM-LBPRGKRZSA-N 1 0 332.444 3.758 50 0 EHAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2nccn2Cc2ccccc2)c1 ZINC000077299947 563968827 /nfs/dbraw/zinc/96/88/27/563968827.db2.gz MVGMGDGBANONAM-FQEVSTJZSA-N 1 0 349.482 3.573 50 0 EHAARO c1cnn(Cc2ccccc2C[N@H+]2CCCC[C@H]2CCn2ccnc2)c1 ZINC000077406559 563969401 /nfs/dbraw/zinc/96/94/01/563969401.db2.gz LPKZXBXRUOFEHC-NRFANRHFSA-N 1 0 349.482 3.573 50 0 EHAARO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]21 ZINC000077459667 563969823 /nfs/dbraw/zinc/96/98/23/563969823.db2.gz PKVPOBYTIROPNL-TVQRCGJNSA-N 1 0 347.768 3.527 50 0 EHAARO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)SCC(=O)N2 ZINC000097234829 563970820 /nfs/dbraw/zinc/97/08/20/563970820.db2.gz PTYOGJCOPYAFGH-ZJUUUORDSA-N 1 0 328.503 3.647 50 0 EHAARO Cc1ccc2[nH+]ccc(N3CCC[C@@H](CCC(=O)N(C)C)C3)c2c1 ZINC000096141666 563979543 /nfs/dbraw/zinc/97/95/43/563979543.db2.gz CORUUPWPSVCYNX-INIZCTEOSA-N 1 0 325.456 3.628 50 0 EHAARO CCO[C@@H](C)c1ccc(-c2ccc(CN3CC[NH+](C)CC3)cn2)cc1 ZINC000097099461 563981294 /nfs/dbraw/zinc/98/12/94/563981294.db2.gz HXHKPRVARAUILM-KRWDZBQOSA-N 1 0 339.483 3.594 50 0 EHAARO CS[C@@H]1CCCCCCCC[C@@H]2COC[C@H]2[C@H]1[NH+]1CCOCC1 ZINC000247808150 563981805 /nfs/dbraw/zinc/98/18/05/563981805.db2.gz BAGWWHWHYXXQCV-NCXUSEDFSA-N 1 0 341.561 3.816 50 0 biogenic EHAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000000317656 563991027 /nfs/dbraw/zinc/99/10/27/563991027.db2.gz KCHCZEPBORPGEU-UHFFFAOYSA-N 1 0 328.500 3.720 50 0 EHAARO O=C(CC1CC[NH2+]CC1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000237785413 563993816 /nfs/dbraw/zinc/99/38/16/563993816.db2.gz QCEPFZSEHGOYST-GOSISDBHSA-N 1 0 348.899 3.997 50 0 EHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000248059710 563995098 /nfs/dbraw/zinc/99/50/98/563995098.db2.gz CUYYIPTWALRXFD-JZXOWHBKSA-N 1 0 337.467 3.712 50 0 EHAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000127544647 563996006 /nfs/dbraw/zinc/99/60/06/563996006.db2.gz WVPMWODPKGAPPX-MIPVDYNUSA-N 1 0 325.440 3.777 50 0 EHAARO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCSc1ccccc1 ZINC000252486168 563997752 /nfs/dbraw/zinc/99/77/52/563997752.db2.gz GFDXIFPRYFCMGT-YLJYHZDGSA-N 1 0 341.524 3.674 50 0 EHAARO Cc1csc([C@H]2CN(Cc3cc(-c4ccccc4)no3)CCO2)n1 ZINC000065473723 563998193 /nfs/dbraw/zinc/99/81/93/563998193.db2.gz DCAIBPQZDJLXSC-QGZVFWFLSA-N 1 0 341.436 3.680 50 0 EHAARO COc1ccccc1CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000006667577 564014922 /nfs/dbraw/zinc/01/49/22/564014922.db2.gz CJZAZAWDSSMGMI-UHFFFAOYSA-N 1 0 338.495 3.534 50 0 EHAARO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCc3ccccc32)o1 ZINC000044623533 564027071 /nfs/dbraw/zinc/02/70/71/564027071.db2.gz HHYCRXHPZOQFMO-QGZVFWFLSA-N 1 0 340.467 3.971 50 0 EHAARO Cc1ccc(N2CCC[N@@H+](C[C@H]3CCO[C@@H](C(C)C)C3)CC2)cc1 ZINC000108171203 564027969 /nfs/dbraw/zinc/02/79/69/564027969.db2.gz BLDZPJHKJWLPGW-PZJWPPBQSA-N 1 0 330.516 3.958 50 0 EHAARO CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000108176443 564028007 /nfs/dbraw/zinc/02/80/07/564028007.db2.gz URZHKDCKLZBCFC-DLBZAZTESA-N 1 0 327.472 3.589 50 0 EHAARO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)o1 ZINC000221892922 564036564 /nfs/dbraw/zinc/03/65/64/564036564.db2.gz OBXJKMIFYULFOV-IRXDYDNUSA-N 1 0 328.456 3.660 50 0 EHAARO O=C(CCCc1ccc(F)cc1)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000223371731 564039662 /nfs/dbraw/zinc/03/96/62/564039662.db2.gz OXFCRAUZUPLWLA-QGZVFWFLSA-N 1 0 332.463 3.529 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1[nH]c2ccccc2c1C ZINC000223598989 564040446 /nfs/dbraw/zinc/04/04/46/564040446.db2.gz LBSVOEPERLNKJK-MRXNPFEDSA-N 1 0 327.472 3.699 50 0 EHAARO Cc1c(Cl)cccc1NC(=O)CC[N@H+](C)CCC1CCOCC1 ZINC000252490603 564053452 /nfs/dbraw/zinc/05/34/52/564053452.db2.gz KXQLBYTWOJIRMM-UHFFFAOYSA-N 1 0 338.879 3.726 50 0 EHAARO O=C(NCCCC[NH+]1CCCCCC1)c1ccc2scnc2c1 ZINC000252504185 564053550 /nfs/dbraw/zinc/05/35/50/564053550.db2.gz VHZINEMWKQUPAO-UHFFFAOYSA-N 1 0 331.485 3.682 50 0 EHAARO Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1C1CCCC1 ZINC000012572027 564059963 /nfs/dbraw/zinc/05/99/63/564059963.db2.gz CJUNRBIGZONRLQ-SFHVURJKSA-N 1 0 348.454 3.666 50 0 EHAARO CN(C(=O)NCC1C(C)(C)C1(C)C)[C@H](C[NH+](C)C)c1ccccc1 ZINC000534588810 564061174 /nfs/dbraw/zinc/06/11/74/564061174.db2.gz CDWYSZIDCNQEAL-MRXNPFEDSA-N 1 0 331.504 3.613 50 0 EHAARO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000084017122 564065809 /nfs/dbraw/zinc/06/58/09/564065809.db2.gz CJDIMZPSNQATLE-OAHLLOKOSA-N 1 0 345.874 3.835 50 0 EHAARO Cc1noc([C@H]2CCC[N@H+](CCSc3ccc(C)c(C)c3)C2)n1 ZINC000084180934 564067186 /nfs/dbraw/zinc/06/71/86/564067186.db2.gz ARWPTCPKRYJNHH-INIZCTEOSA-N 1 0 331.485 3.967 50 0 EHAARO CCCc1sc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1CC ZINC000084758809 564070088 /nfs/dbraw/zinc/07/00/88/564070088.db2.gz BYSWLBMDOWGJRL-MRXNPFEDSA-N 1 0 334.529 3.963 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)SC)c2)C1 ZINC000084760852 564070094 /nfs/dbraw/zinc/07/00/94/564070094.db2.gz ZFQDKACNDCLRSY-HUUCEWRRSA-N 1 0 335.517 3.916 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1O ZINC000015837409 564076514 /nfs/dbraw/zinc/07/65/14/564076514.db2.gz WSJQLWWWWYQZIU-MRXNPFEDSA-N 1 0 331.387 3.886 50 0 EHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2ccc(C(N)=O)cc2)cc1 ZINC000012902927 564077747 /nfs/dbraw/zinc/07/77/47/564077747.db2.gz ZJGGCQWFIKPUSB-FQEVSTJZSA-N 1 0 338.451 3.911 50 0 EHAARO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)CC[C@H]2CCC[C@H](C)C2)c1 ZINC000089103616 564079857 /nfs/dbraw/zinc/07/98/57/564079857.db2.gz INSWXKITTAQLFV-DOTOQJQBSA-N 1 0 345.487 3.732 50 0 EHAARO CCC(=O)N(CC[NH+](C)C)c1nc2c(cccc2C(F)(F)F)s1 ZINC000075172835 564081074 /nfs/dbraw/zinc/08/10/74/564081074.db2.gz VPIJYVJPFSRBGV-UHFFFAOYSA-N 1 0 345.390 3.620 50 0 EHAARO CCC(=O)N1CCC([NH2+]Cc2ccc(OC3CCCCC3)cc2)CC1 ZINC000089145908 564081822 /nfs/dbraw/zinc/08/18/22/564081822.db2.gz VMKRYIKBQKLEEW-UHFFFAOYSA-N 1 0 344.499 3.889 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1cccs1)c1cc2ccccc2o1 ZINC000575622152 564083939 /nfs/dbraw/zinc/08/39/39/564083939.db2.gz WSBMXMVJARVHFV-CYBMUJFWSA-N 1 0 329.425 3.919 50 0 EHAARO Cc1cnccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000121927067 564084837 /nfs/dbraw/zinc/08/48/37/564084837.db2.gz KXUCCXFQWJDVFX-MRXNPFEDSA-N 1 0 339.395 3.530 50 0 EHAARO Cc1cc(C(=O)NC2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)o1 ZINC000096403675 564086400 /nfs/dbraw/zinc/08/64/00/564086400.db2.gz UBOKVFRTIILKLC-RMKNXTFCSA-N 1 0 338.451 3.804 50 0 EHAARO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1 ZINC000090801733 564086583 /nfs/dbraw/zinc/08/65/83/564086583.db2.gz UKYRPYRAXXZEAT-LPHOPBHVSA-N 1 0 347.466 3.505 50 0 EHAARO CC(C)C[NH2+]CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006509847 564091264 /nfs/dbraw/zinc/09/12/64/564091264.db2.gz JFGVZUNUXLNNHY-UHFFFAOYSA-N 1 0 342.283 3.908 50 0 EHAARO c1ccc2c(c1)oc1c2ncnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000005777039 564093306 /nfs/dbraw/zinc/09/33/06/564093306.db2.gz OBDSEFWMKQKHGF-UHFFFAOYSA-N 1 0 336.439 3.831 50 0 EHAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000426388542 564093581 /nfs/dbraw/zinc/09/35/81/564093581.db2.gz SDTWNASWBZFHHZ-INIZCTEOSA-N 1 0 340.442 3.954 50 0 EHAARO C[C@H](c1ccc(-c2ccc(-n3ccnc3)nn2)cc1)[NH+]1CCCCC1 ZINC000426578730 564094137 /nfs/dbraw/zinc/09/41/37/564094137.db2.gz ORGYYZUOKJVGDR-MRXNPFEDSA-N 1 0 333.439 3.876 50 0 EHAARO COc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)c1 ZINC000036100362 564096087 /nfs/dbraw/zinc/09/60/87/564096087.db2.gz NOURGNWOAVSIHO-SFHVURJKSA-N 1 0 337.504 3.719 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1cc2c(s1)-c1c(C)cccc1OC2 ZINC000006804798 564098365 /nfs/dbraw/zinc/09/83/65/564098365.db2.gz YOEMWMSNEVYXEN-UHFFFAOYSA-N 1 0 344.480 3.688 50 0 EHAARO Cc1c(Cl)cccc1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877282 564100370 /nfs/dbraw/zinc/10/03/70/564100370.db2.gz MSQSJZAUITZMCL-UHFFFAOYSA-N 1 0 335.879 3.988 50 0 EHAARO CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000065170458 564102152 /nfs/dbraw/zinc/10/21/52/564102152.db2.gz WUSKIHYXJQWKAV-UHFFFAOYSA-N 1 0 345.874 3.606 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2c1C ZINC000007007391 564103113 /nfs/dbraw/zinc/10/31/13/564103113.db2.gz TUTLXQVNXNEMPR-CQSZACIVSA-N 1 0 327.472 3.779 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc(F)cc1F ZINC000065512463 564106739 /nfs/dbraw/zinc/10/67/39/564106739.db2.gz FBJWSPKAJSKXAO-LBPRGKRZSA-N 1 0 336.430 3.739 50 0 EHAARO Clc1nc2ccccc2cc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000065575515 564107627 /nfs/dbraw/zinc/10/76/27/564107627.db2.gz FWQLCQXAMCYCFG-MRXNPFEDSA-N 1 0 326.831 3.922 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000007447480 564108646 /nfs/dbraw/zinc/10/86/46/564108646.db2.gz ODBNHCJOUBZLFE-UHFFFAOYSA-N 1 0 326.415 3.742 50 0 EHAARO O=C(CCCc1cccs1)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000089797755 564113863 /nfs/dbraw/zinc/11/38/63/564113863.db2.gz GJACCNNINNKALH-OAHLLOKOSA-N 1 0 333.453 3.872 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)[C@H](CC)C1 ZINC000089948893 564115768 /nfs/dbraw/zinc/11/57/68/564115768.db2.gz JCTAEAFBGUJITN-CJNGLKHVSA-N 1 0 326.843 3.606 50 0 EHAARO CC1(C)C[C@@H](Nc2ccn(CC(F)F)n2)C[N@@H+]1Cc1ccccc1 ZINC000090189064 564116449 /nfs/dbraw/zinc/11/64/49/564116449.db2.gz VKQDEXMOVDDYLR-OAHLLOKOSA-N 1 0 334.414 3.613 50 0 EHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000237522735 564117777 /nfs/dbraw/zinc/11/77/77/564117777.db2.gz NMBFNKMPISMARW-JSGCOSHPSA-N 1 0 346.377 3.709 50 0 EHAARO [NH3+][C@@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccccc1 ZINC000237989013 564117793 /nfs/dbraw/zinc/11/77/93/564117793.db2.gz QBHZCFAGJRTCNL-IBGZPJMESA-N 1 0 336.460 3.748 50 0 EHAARO C[C@H](CNC(=S)Nc1ccc(F)cc1F)[N@@H+]1CCCC[C@H]1C ZINC000252457269 564118582 /nfs/dbraw/zinc/11/85/82/564118582.db2.gz SBQVETZUMQYRSH-VXGBXAGGSA-N 1 0 327.444 3.514 50 0 EHAARO Cc1nnc(CCC[N@@H+]2CCC[C@@H]2[C@H]2CCCc3ccccc32)o1 ZINC000252510985 564120061 /nfs/dbraw/zinc/12/00/61/564120061.db2.gz CREVZWPFPTTYDE-RBUKOAKNSA-N 1 0 325.456 3.895 50 0 EHAARO O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252512722 564120205 /nfs/dbraw/zinc/12/02/05/564120205.db2.gz VBKCPDOWRYBTTB-CEXWTWQISA-N 1 0 345.462 3.593 50 0 EHAARO COc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)ccc1Cl ZINC000194372954 564120532 /nfs/dbraw/zinc/12/05/32/564120532.db2.gz IQBZPDXYTLCDLG-CQSZACIVSA-N 1 0 348.834 3.550 50 0 EHAARO Cc1ccccc1NC(=O)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000252537710 564120576 /nfs/dbraw/zinc/12/05/76/564120576.db2.gz MBTAOESEAXRXST-UHFFFAOYSA-N 1 0 347.528 3.724 50 0 EHAARO CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)c1 ZINC000170669713 564121276 /nfs/dbraw/zinc/12/12/76/564121276.db2.gz FLINBAKRUVPXLE-HZPDHXFCSA-N 1 0 340.467 3.727 50 0 EHAARO CCC(CC)c1cc[n+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000007762745 564122836 /nfs/dbraw/zinc/12/28/36/564122836.db2.gz LDGPBDQCSTZGLM-UHFFFAOYSA-O 1 0 342.850 3.816 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1 ZINC000007828731 564124057 /nfs/dbraw/zinc/12/40/57/564124057.db2.gz UQOMVMDINAMMRW-UHFFFAOYSA-N 1 0 332.394 3.737 50 0 EHAARO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007849885 564124242 /nfs/dbraw/zinc/12/42/42/564124242.db2.gz NFPOVBAURBUYRM-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000252679910 564124913 /nfs/dbraw/zinc/12/49/13/564124913.db2.gz SWOJKJVUWHYUIQ-GGPKGHCWSA-N 1 0 328.500 3.873 50 0 EHAARO CN(C)C(=O)c1ccc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)[nH]1 ZINC000253425551 564131132 /nfs/dbraw/zinc/13/11/32/564131132.db2.gz DEPOCUPQELGCQF-LJQANCHMSA-N 1 0 339.483 3.910 50 0 EHAARO Cc1ncsc1C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000253426434 564131156 /nfs/dbraw/zinc/13/11/56/564131156.db2.gz HNTAMMHWESLTDX-NSHDSACASA-N 1 0 330.379 3.504 50 0 EHAARO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000253428008 564131219 /nfs/dbraw/zinc/13/12/19/564131219.db2.gz OOUFEHCUQSZZLY-ZDUSSCGKSA-N 1 0 345.361 3.750 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=S)Nc1ccccc1 ZINC000012653702 564135415 /nfs/dbraw/zinc/13/54/15/564135415.db2.gz ZFZIIGPUWLXOFS-PKOBYXMFSA-N 1 0 337.492 4.000 50 0 biogenic EHAARO Cc1cncc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000225501143 564135628 /nfs/dbraw/zinc/13/56/28/564135628.db2.gz RINGSPNNBCQORN-INIZCTEOSA-N 1 0 346.434 3.888 50 0 EHAARO CC(=O)Nc1ccc(-c2noc([C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)n2)cc1 ZINC000276891008 564137619 /nfs/dbraw/zinc/13/76/19/564137619.db2.gz HOZMEAUECVRNCF-AVGNSLFASA-N 1 0 328.416 3.629 50 0 EHAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000079061212 564137801 /nfs/dbraw/zinc/13/78/01/564137801.db2.gz URGOUURBEOZZQX-KRWDZBQOSA-N 1 0 347.553 3.934 50 0 EHAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 ZINC000277223221 564137984 /nfs/dbraw/zinc/13/79/84/564137984.db2.gz XXVMZQWXIBNFAZ-INIZCTEOSA-N 1 0 345.487 3.956 50 0 EHAARO COc1ncccc1C[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000390833498 564138835 /nfs/dbraw/zinc/13/88/35/564138835.db2.gz IHQXFPNZBPJYJQ-ZWKOTPCHSA-N 1 0 330.403 3.581 50 0 EHAARO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000095462668 564140827 /nfs/dbraw/zinc/14/08/27/564140827.db2.gz CQZYOJDVADKFSY-LJQANCHMSA-N 1 0 343.492 3.764 50 0 EHAARO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc(O)cc2)c(C)c1 ZINC000095967478 564143057 /nfs/dbraw/zinc/14/30/57/564143057.db2.gz OKYFXTACVQXLTL-MRXNPFEDSA-N 1 0 326.440 3.558 50 0 EHAARO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cnc3ccsc3c2)c1 ZINC000095968319 564143221 /nfs/dbraw/zinc/14/32/21/564143221.db2.gz UVLJRXOVKGADHE-ZDUSSCGKSA-N 1 0 339.464 3.549 50 0 EHAARO FC(F)(F)c1cccc([C@H]([NH2+]Cc2cn3cccnc3n2)C2CC2)c1 ZINC000095987520 564143961 /nfs/dbraw/zinc/14/39/61/564143961.db2.gz UDWJRVIKSQZYJN-MRXNPFEDSA-N 1 0 346.356 3.989 50 0 EHAARO COc1ccccc1COC1CC[NH+](Cc2scnc2C)CC1 ZINC000095999480 564144381 /nfs/dbraw/zinc/14/43/81/564144381.db2.gz UPSPVYFZRKNTOZ-UHFFFAOYSA-N 1 0 332.469 3.641 50 0 EHAARO CC(C)([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1cccc(F)c1 ZINC000283286085 564148912 /nfs/dbraw/zinc/14/89/12/564148912.db2.gz XPNQPTXLSKOCBI-MRXNPFEDSA-N 1 0 340.442 3.813 50 0 EHAARO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Br)s1 ZINC000161740810 564149895 /nfs/dbraw/zinc/14/98/95/564149895.db2.gz VPBRIEUKBKGUHU-SNVBAGLBSA-N 1 0 346.290 3.847 50 0 EHAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]1c1ccccc1 ZINC000057171562 564153380 /nfs/dbraw/zinc/15/33/80/564153380.db2.gz NBQPPLRQLJYBQD-NRFANRHFSA-N 1 0 334.463 3.872 50 0 EHAARO Cc1cccn2cc(CNC(=O)c3ccccc3C(F)(F)F)nc12 ZINC000002960802 564153818 /nfs/dbraw/zinc/15/38/18/564153818.db2.gz BYJQSSOMIWEHMN-UHFFFAOYSA-N 1 0 333.313 3.592 50 0 EHAARO Cc1ccoc1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000057586161 564155047 /nfs/dbraw/zinc/15/50/47/564155047.db2.gz UASVFCRVPNPOTN-HOTGVXAUSA-N 1 0 340.467 3.996 50 0 EHAARO CN(C(=O)c1sc2cc(F)ccc2c1Cl)C1CC[NH+](C)CC1 ZINC000003217001 564156069 /nfs/dbraw/zinc/15/60/69/564156069.db2.gz HPXCFBWWDFUUDM-UHFFFAOYSA-N 1 0 340.851 3.860 50 0 EHAARO Cc1cccc(CCNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000058162878 564157890 /nfs/dbraw/zinc/15/78/90/564157890.db2.gz POQUPALEGMXKRX-KDURUIRLSA-N 1 0 345.531 3.595 50 0 EHAARO Cc1oc(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000031493044 564159446 /nfs/dbraw/zinc/15/94/46/564159446.db2.gz OERKLELGBYATFO-UHFFFAOYSA-N 1 0 326.440 3.731 50 0 EHAARO CCc1nnsc1C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000040119472 564168173 /nfs/dbraw/zinc/16/81/73/564168173.db2.gz GDWBHPYNBMMMAR-CYBMUJFWSA-N 1 0 344.484 3.727 50 0 EHAARO C[C@H]([NH2+]Cc1ccccc1OCc1ccccn1)[C@H](C)n1cccn1 ZINC000069414725 564169190 /nfs/dbraw/zinc/16/91/90/564169190.db2.gz GCLIKTKKRYTTNG-IRXDYDNUSA-N 1 0 336.439 3.596 50 0 EHAARO C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(n2ccnc2)CC1 ZINC000069738564 564171807 /nfs/dbraw/zinc/17/18/07/564171807.db2.gz INBOIUNPBGMQDD-MRXNPFEDSA-N 1 0 348.450 3.700 50 0 EHAARO CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)CC(F)(F)F ZINC000069892454 564172673 /nfs/dbraw/zinc/17/26/73/564172673.db2.gz MYFNNKZWXLDBLX-UHFFFAOYSA-N 1 0 342.405 3.700 50 0 EHAARO C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)C1CCCCC1 ZINC000071862811 564176131 /nfs/dbraw/zinc/17/61/31/564176131.db2.gz ABQPGXFJEJGTGY-UHFFFAOYSA-N 1 0 340.221 3.857 50 0 EHAARO O=C(NC1CC[NH+](C2CC2)CC1)N1CCCCC[C@@H]1c1ccco1 ZINC000077549227 564176776 /nfs/dbraw/zinc/17/67/76/564176776.db2.gz ZBSXUNZUJOLTJI-QGZVFWFLSA-N 1 0 331.460 3.533 50 0 EHAARO Cc1c2ccccc2oc1[C@H]([NH2+]C1CCS(=O)(=O)CC1)C(C)C ZINC000291230263 1023864358 /nfs/dbraw/zinc/86/43/58/1023864358.db2.gz TZRKWXJIGXRJHP-QGZVFWFLSA-N 1 0 335.469 3.605 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)C1 ZINC000237192888 1028337274 /nfs/dbraw/zinc/33/72/74/1028337274.db2.gz HZVSJVGSPOFGMP-ZVHGMHCTSA-N 1 0 340.389 3.567 50 0 EHAARO OCC1(Cc2ccccc2Cl)CC[NH+](Cc2ccncc2)CC1 ZINC000023153483 1028681143 /nfs/dbraw/zinc/68/11/43/1028681143.db2.gz KYJTUDGBSRKHJT-UHFFFAOYSA-N 1 0 330.859 3.552 50 0 EHAARO COCC1(C[NH2+]Cc2c(Cl)cc(OC)c(OC)c2Cl)CCC1 ZINC001506420141 1030788195 /nfs/dbraw/zinc/78/81/95/1030788195.db2.gz VYDDPFMGSYFHHO-UHFFFAOYSA-N 1 0 348.270 3.917 50 0 EHAARO C[N@H+](CCc1ccccn1)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000023505685 1035464934 /nfs/dbraw/zinc/46/49/34/1035464934.db2.gz KYVZJAFMYNOMCI-FQEVSTJZSA-N 1 0 343.515 3.517 50 0 EHAARO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(CN3CCCC3=O)c1)CC2 ZINC000177995062 1035502285 /nfs/dbraw/zinc/50/22/85/1035502285.db2.gz ZBSHJJFWEWZQAD-OAQYLSRUSA-N 1 0 334.463 3.895 50 0 EHAARO CCC(CC)(C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccc(Cl)cc1 ZINC000261835403 1035729600 /nfs/dbraw/zinc/72/96/00/1035729600.db2.gz IMKSKHJBTISCDB-INIZCTEOSA-N 1 0 336.907 3.984 50 0 EHAARO c1cc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc2c1OCO2 ZINC000022078095 1039713065 /nfs/dbraw/zinc/71/30/65/1039713065.db2.gz KHJGVIHWNXKXPN-RXVVDRJESA-N 1 0 342.483 3.644 50 0 EHAARO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000137519589 1040767627 /nfs/dbraw/zinc/76/76/27/1040767627.db2.gz FYOBJCRHWKRNKK-AVAKVYKDSA-N 1 0 343.515 3.526 50 0 EHAARO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3c(c2)CCC3)on1 ZINC000252496993 1041323530 /nfs/dbraw/zinc/32/35/30/1041323530.db2.gz PXFSFCUIIWHBBB-SFHVURJKSA-N 1 0 339.439 3.637 50 0 EHAARO O=C(NCc1cc2ccccc2o1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175645624 1123730283 /nfs/dbraw/zinc/73/02/83/1123730283.db2.gz HIABKEBDGBIYAJ-UHFFFAOYSA-N 1 0 341.455 3.639 50 0 EHAARO Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1cnn2ccccc12 ZINC000180992103 1124467915 /nfs/dbraw/zinc/46/79/15/1124467915.db2.gz VCRWPFNOMIKOSE-MRXNPFEDSA-N 1 0 327.815 3.991 50 0 EHAARO Clc1ccc2[nH]c(CCC[NH2+]C3CSCCSC3)nc2c1 ZINC000825573866 1131281809 /nfs/dbraw/zinc/28/18/09/1131281809.db2.gz TWQOYQSRSGABBX-UHFFFAOYSA-N 1 0 341.933 3.587 50 0 EHAARO Cc1cnc(CC[N@@H+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)s1 ZINC000091701382 1124995890 /nfs/dbraw/zinc/99/58/90/1124995890.db2.gz CSWGZRGVSNUDIC-SFHVURJKSA-N 1 0 346.496 3.684 50 0 EHAARO O=C(NCc1c(F)cccc1Cl)C1([NH+]2CCCC2)CCCCC1 ZINC000826622252 1131335165 /nfs/dbraw/zinc/33/51/65/1131335165.db2.gz VAIZICXSDGWYCQ-UHFFFAOYSA-N 1 0 338.854 3.894 50 0 EHAARO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000092707657 1125156671 /nfs/dbraw/zinc/15/66/71/1125156671.db2.gz QILISPQYWDWSIS-QGZVFWFLSA-N 1 0 344.499 3.528 50 0 EHAARO CC(C)=CC[N@H+]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012325322 1129536625 /nfs/dbraw/zinc/53/66/25/1129536625.db2.gz TZSRZVWANUIYOJ-UHFFFAOYSA-N 1 0 340.389 3.706 50 0 EHAARO O=C(NC1CC1)[C@@H](NCc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000057547508 1129907021 /nfs/dbraw/zinc/90/70/21/1129907021.db2.gz VGBRSHXZISNTSW-KRWDZBQOSA-N 1 0 332.806 3.589 50 0 EHAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)c1cccc2nccnc21 ZINC000828176552 1131424429 /nfs/dbraw/zinc/42/44/29/1131424429.db2.gz HQVBDNDXACTZFD-UHFFFAOYSA-N 1 0 346.434 3.868 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000581807051 1132369032 /nfs/dbraw/zinc/36/90/32/1132369032.db2.gz AVXUMTVQTJADLA-QGZVFWFLSA-N 1 0 346.434 3.704 50 0 EHAARO CCCNC(=O)N1CCC(Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000581810073 1132370996 /nfs/dbraw/zinc/37/09/96/1132370996.db2.gz OMIIWKYNZNCJIF-UHFFFAOYSA-N 1 0 343.515 3.657 50 0 EHAARO OC1(CCC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000630061454 1137299039 /nfs/dbraw/zinc/29/90/39/1137299039.db2.gz XGXKOTADXMSFJW-AZUAARDMSA-N 1 0 328.500 3.639 50 0 EHAARO Cn1c2ccccc2nc1C[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000193250028 1137457536 /nfs/dbraw/zinc/45/75/36/1137457536.db2.gz PZCPLGUWRSHOHO-UHFFFAOYSA-N 1 0 335.451 3.573 50 0 EHAARO c1cc([C@H]2CCCCO2)oc1C[NH2+]Cc1ccc2nsnc2c1 ZINC000952960233 1137483800 /nfs/dbraw/zinc/48/38/00/1137483800.db2.gz QXVVMQRFYKFMIC-MRXNPFEDSA-N 1 0 329.425 3.816 50 0 EHAARO CC[C@H](Cn1ccnc1)[NH2+]Cc1cnc(-c2ccccc2OC)s1 ZINC000952965051 1137484074 /nfs/dbraw/zinc/48/40/74/1137484074.db2.gz BLXXYJYMQWDUGN-CQSZACIVSA-N 1 0 342.468 3.584 50 0 EHAARO COc1ccc(/C=C/CN2CCC[N@H+](Cc3cccs3)CC2)cc1 ZINC000952986743 1137485551 /nfs/dbraw/zinc/48/55/51/1137485551.db2.gz HZWNXCHOPSEUGC-GORDUTHDSA-N 1 0 342.508 3.978 50 0 EHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1 ZINC000004745170 210267645 /nfs/dbraw/zinc/26/76/45/210267645.db2.gz AWJYQQXYNYSORH-JOCHJYFZSA-N 1 0 348.490 3.792 50 0 EHAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000004725490 210260996 /nfs/dbraw/zinc/26/09/96/210260996.db2.gz MSZOTFGJKQSETK-FBMGVBCBSA-N 1 0 326.484 3.814 50 0 EHAARO Cc1noc([C@H]2CCC[N@H+](CCCOc3ccc(Cl)cc3)C2)n1 ZINC000052862018 214150538 /nfs/dbraw/zinc/15/05/38/214150538.db2.gz XRKWRKNOANPBLP-AWEZNQCLSA-N 1 0 335.835 3.680 50 0 EHAARO CN(Cc1ccc(C[NH+]2CCCCC2)s1)Cc1noc(C2CC2)n1 ZINC000097694701 219048610 /nfs/dbraw/zinc/04/86/10/219048610.db2.gz WGPQTHREKYFDSY-UHFFFAOYSA-N 1 0 346.500 3.626 50 0 EHAARO C[N@H+](CCNC(=O)c1ccccc1C(F)(F)F)Cc1ccccc1 ZINC000053349440 214177631 /nfs/dbraw/zinc/17/76/31/214177631.db2.gz QEYOOLZTRXNBLN-UHFFFAOYSA-N 1 0 336.357 3.567 50 0 EHAARO Cn1nc2ccccc2c1C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000055099310 214271915 /nfs/dbraw/zinc/27/19/15/214271915.db2.gz CXQGHSHQVXZZCL-UHFFFAOYSA-N 1 0 327.403 3.613 50 0 EHAARO CCC(CC)N(CCc1ccccc1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000055154315 214280004 /nfs/dbraw/zinc/28/00/04/214280004.db2.gz HEXZSUAQEGRWMX-LJQANCHMSA-N 1 0 328.500 3.636 50 0 EHAARO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000055211227 214288458 /nfs/dbraw/zinc/28/84/58/214288458.db2.gz XMNLBPVYQYVVJA-KRWDZBQOSA-N 1 0 334.891 3.714 50 0 EHAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]Cc1cccnc1 ZINC000055244942 214293728 /nfs/dbraw/zinc/29/37/28/214293728.db2.gz CGZXUPKXTJTZSL-INIZCTEOSA-N 1 0 339.487 3.801 50 0 EHAARO COc1cccc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)c1 ZINC000055368773 214312787 /nfs/dbraw/zinc/31/27/87/214312787.db2.gz QSZOVDUVNXNLKE-LJQANCHMSA-N 1 0 346.434 3.714 50 0 EHAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1ccccc1F ZINC000004679218 210244248 /nfs/dbraw/zinc/24/42/48/210244248.db2.gz ZSVVNNFWYWNHPQ-UHFFFAOYSA-N 1 0 325.387 3.948 50 0 EHAARO CC(C)OC(=O)CCCCCCCC[C@H](O)C[NH+]1CCCCC1 ZINC000004580362 210226599 /nfs/dbraw/zinc/22/65/99/210226599.db2.gz MQCQQTZYYWJWBF-SFHVURJKSA-N 1 0 327.509 3.906 50 0 EHAARO COc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccccc1 ZINC000004413565 210188753 /nfs/dbraw/zinc/18/87/53/210188753.db2.gz BCFVIFLPKZVJLX-UHFFFAOYSA-N 1 0 334.419 3.959 50 0 EHAARO Cc1sc2nc(CC[NH3+])nc(N[C@@H](C)CCc3ccco3)c2c1C ZINC000065396848 214888894 /nfs/dbraw/zinc/88/88/94/214888894.db2.gz ZLFJSIWHMCUDEO-NSHDSACASA-N 1 0 344.484 3.836 50 0 EHAARO CC(C)c1ccc2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)[nH]c2c1 ZINC000065537157 214952557 /nfs/dbraw/zinc/95/25/57/214952557.db2.gz UUWJEAJXHYDIMA-QGZVFWFLSA-N 1 0 325.456 3.602 50 0 EHAARO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000044954588 213689271 /nfs/dbraw/zinc/68/92/71/213689271.db2.gz MOQFIKUSQNEYLB-APWZRJJASA-N 1 0 344.499 3.670 50 0 EHAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(OC)nc1 ZINC000067676154 215182223 /nfs/dbraw/zinc/18/22/23/215182223.db2.gz RAPNLFIEHPTXII-UHFFFAOYSA-N 1 0 328.412 3.877 50 0 EHAARO CC(C)=CC(=O)NC[C@H]1CC[N@H+](Cc2oc3ccccc3c2C)C1 ZINC000067790691 215213535 /nfs/dbraw/zinc/21/35/35/215213535.db2.gz OPJXEEZFQKCEQM-MRXNPFEDSA-N 1 0 326.440 3.646 50 0 EHAARO Fc1ccc(Cl)c(F)c1-c1nccn1CC[NH+]1CCCCC1 ZINC000067846975 215228443 /nfs/dbraw/zinc/22/84/43/215228443.db2.gz YZWQXKCKTVTSEI-UHFFFAOYSA-N 1 0 325.790 3.968 50 0 EHAARO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)no1 ZINC000067984987 215268376 /nfs/dbraw/zinc/26/83/76/215268376.db2.gz NLNVVHCRUPDECH-QGZVFWFLSA-N 1 0 327.428 3.766 50 0 EHAARO COc1ccc(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000002642730 209881655 /nfs/dbraw/zinc/88/16/55/209881655.db2.gz AAZPTEPQCGVBRY-UHFFFAOYSA-N 1 0 344.499 3.543 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Nc2nc3ccccc3s2)C1 ZINC000040145659 213272523 /nfs/dbraw/zinc/27/25/23/213272523.db2.gz DNVYMSRAOFDPNO-ZIAGYGMSSA-N 1 0 346.500 3.786 50 0 EHAARO CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000040088698 213261487 /nfs/dbraw/zinc/26/14/87/213261487.db2.gz SQBIKADVXWSLIO-JTQLQIEISA-N 1 0 340.221 3.714 50 0 EHAARO Cc1ccccc1C[N@@H+](C[C@@H](O)COc1ccccc1C)C(C)C ZINC000036104494 213069486 /nfs/dbraw/zinc/06/94/86/213069486.db2.gz OITSNPPFNQBOEW-HXUWFJFHSA-N 1 0 327.468 3.954 50 0 EHAARO COc1ccccc1C[N@H+](C[C@H](O)COc1ccccc1C)C(C)C ZINC000036102843 213067153 /nfs/dbraw/zinc/06/71/53/213067153.db2.gz BIDRJUMWRVTJJC-IBGZPJMESA-N 1 0 343.467 3.654 50 0 EHAARO CCC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)Cc1ccc2c(c1)OCO2 ZINC000036101916 213067138 /nfs/dbraw/zinc/06/71/38/213067138.db2.gz LCULICYDZCQOGZ-LJQANCHMSA-N 1 0 341.451 3.887 50 0 EHAARO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103033 213066606 /nfs/dbraw/zinc/06/66/06/213066606.db2.gz GMJBHLDNUTZORM-FQEVSTJZSA-N 1 0 345.458 3.861 50 0 EHAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1 ZINC000036095371 213062574 /nfs/dbraw/zinc/06/25/74/213062574.db2.gz RTKULHMGPRYKGG-LJQANCHMSA-N 1 0 331.431 3.724 50 0 EHAARO Cc1ccccc1-n1nnnc1C1([NH2+]C2CCCCC2)CCCC1 ZINC000035622433 213042787 /nfs/dbraw/zinc/04/27/87/213042787.db2.gz ZPSWGMZCMHWPIQ-UHFFFAOYSA-N 1 0 325.460 3.662 50 0 EHAARO Cc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)c(C)c1=O ZINC000072126649 216017439 /nfs/dbraw/zinc/01/74/39/216017439.db2.gz AXYMHPKYMDALCT-KRWDZBQOSA-N 1 0 342.458 3.976 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000129372945 223049080 /nfs/dbraw/zinc/04/90/80/223049080.db2.gz LZTPYZUNFXVPAW-HUUCEWRRSA-N 1 0 338.377 3.786 50 0 EHAARO CN1C[C@@]2(CCC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)OC1=O ZINC000072423857 216213804 /nfs/dbraw/zinc/21/38/04/216213804.db2.gz ONZSHHDWKZNZCE-JOCHJYFZSA-N 1 0 348.446 3.674 50 0 EHAARO C[NH+](C)CC[C@H]1CCCCN1Cc1cnc(C2CCCCC2)nc1 ZINC000072453593 216241143 /nfs/dbraw/zinc/24/11/43/216241143.db2.gz SCQWKJGXVBMVQK-LJQANCHMSA-N 1 0 330.520 3.831 50 0 EHAARO C[NH+](C)C1(CNC(=O)NCc2ccc(Cl)cc2)CCCCCC1 ZINC000026252760 212512217 /nfs/dbraw/zinc/51/22/17/212512217.db2.gz BZXIQGVYNAFGCV-UHFFFAOYSA-N 1 0 337.895 3.794 50 0 EHAARO Cn1c2ccccc2nc1-c1ccc(C[N@H+](C)CC2CCOCC2)o1 ZINC000215349515 241121382 /nfs/dbraw/zinc/12/13/82/241121382.db2.gz SWQPLRNCXBRLNF-UHFFFAOYSA-N 1 0 339.439 3.692 50 0 EHAARO c1sc(CN(Cc2ccccn2)C2CC2)cc1C[NH+]1CCCC1 ZINC000215582740 241133537 /nfs/dbraw/zinc/13/35/37/241133537.db2.gz BRDPGTKWZNSUGL-UHFFFAOYSA-N 1 0 327.497 3.904 50 0 EHAARO C[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021783079 212248674 /nfs/dbraw/zinc/24/86/74/212248674.db2.gz OPZGAZGQEDUUDK-WOJBJXKFSA-N 1 0 345.870 3.664 50 0 EHAARO C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000225489726 241895480 /nfs/dbraw/zinc/89/54/80/241895480.db2.gz HTUGCFWMWWSOBB-YCEFEEMOSA-N 1 0 332.463 3.604 50 0 EHAARO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@@H](c3ccccc3)C1(C)C)CC2 ZINC000230283244 242258239 /nfs/dbraw/zinc/25/82/39/242258239.db2.gz SAHDQMYOYITBSI-SQNIBIBYSA-N 1 0 338.499 3.888 50 0 EHAARO Cc1ccc([C@H](O)C[NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2C)cc1 ZINC000230218639 242254365 /nfs/dbraw/zinc/25/43/65/242254365.db2.gz QDNOXYSTUUWINT-BVYCBKJFSA-N 1 0 338.495 3.529 50 0 EHAARO Cc1ccccc1OCC(=O)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170437 212214181 /nfs/dbraw/zinc/21/41/81/212214181.db2.gz CPPZYQXJEXLHDL-LJQANCHMSA-N 1 0 344.499 3.631 50 0 EHAARO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cc(C)n(C)n1)OC(C)C ZINC000242324493 243016734 /nfs/dbraw/zinc/01/67/34/243016734.db2.gz ZBTGKPRWCSPZJK-HNAYVOBHSA-N 1 0 331.460 3.554 50 0 EHAARO OCC[C@H]1CN(Cc2ccccc2Cl)CC[N@@H+]1C1CCCCC1 ZINC000020784052 212172299 /nfs/dbraw/zinc/17/22/99/212172299.db2.gz MECDPAKQGGQAQO-SFHVURJKSA-N 1 0 336.907 3.541 50 0 EHAARO Cc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000020603347 212152962 /nfs/dbraw/zinc/15/29/62/212152962.db2.gz NQEZTLFENBNJDQ-KRWDZBQOSA-N 1 0 340.471 3.686 50 0 EHAARO COc1cccc(OC)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(C)C)C1 ZINC000020452758 212130812 /nfs/dbraw/zinc/13/08/12/212130812.db2.gz ZIHCFNAOCRPBIZ-OAHLLOKOSA-N 1 0 343.471 3.930 50 0 EHAARO Cc1ccc(C)c(C(=O)NCC[NH+]2CCC(c3cccs3)CC2)c1 ZINC000077103932 216838473 /nfs/dbraw/zinc/83/84/73/216838473.db2.gz QCCVIFAAAHIAHH-UHFFFAOYSA-N 1 0 342.508 3.974 50 0 EHAARO CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000019871841 212077408 /nfs/dbraw/zinc/07/74/08/212077408.db2.gz XSOXWLLLSNOJGJ-SCLBCKFNSA-N 1 0 349.858 3.959 50 0 EHAARO Fc1ccccc1OC1CC[NH+](CCc2n[nH]c3ccccc32)CC1 ZINC000019836074 212074352 /nfs/dbraw/zinc/07/43/52/212074352.db2.gz BLCBSONEWNPGJI-UHFFFAOYSA-N 1 0 339.414 3.788 50 0 EHAARO CC(C)Cc1cc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)[nH]n1 ZINC000019812246 212071288 /nfs/dbraw/zinc/07/12/88/212071288.db2.gz YMGZDMZDXAWUPN-NRFANRHFSA-N 1 0 340.515 3.705 50 0 EHAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)o1 ZINC000019773650 212064365 /nfs/dbraw/zinc/06/43/65/212064365.db2.gz UPMGESNVFQYLOP-LJQANCHMSA-N 1 0 340.467 3.552 50 0 EHAARO COc1cc2c(cc1OC)[C@H](c1ccc(C(F)(F)F)cc1)[NH2+]CC2 ZINC000019726645 212058360 /nfs/dbraw/zinc/05/83/60/212058360.db2.gz AEMIRCPNFVHJCV-KRWDZBQOSA-N 1 0 337.341 3.958 50 0 EHAARO COc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1Br ZINC000019720842 212058422 /nfs/dbraw/zinc/05/84/22/212058422.db2.gz XIHWEFYLBNRNLW-UHFFFAOYSA-N 1 0 338.220 3.929 50 0 EHAARO Brc1ccccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019361683 212020583 /nfs/dbraw/zinc/02/05/83/212020583.db2.gz PXEQNEOGZNQCSG-UHFFFAOYSA-N 1 0 337.305 3.899 50 0 EHAARO CCS[C@@H]1CCCC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078289741 217038668 /nfs/dbraw/zinc/03/86/68/217038668.db2.gz UORVURVVGQMPDW-HUUCEWRRSA-N 1 0 341.565 3.659 50 0 EHAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000078553111 217073349 /nfs/dbraw/zinc/07/33/49/217073349.db2.gz SUUSXQFVCQSRAR-JTQLQIEISA-N 1 0 327.350 3.786 50 0 EHAARO O=C1CC[N@H+](Cc2cc3ccccc3[nH]2)CCN1CC1CCCCC1 ZINC000014995621 211785272 /nfs/dbraw/zinc/78/52/72/211785272.db2.gz SPZNBEKHUNKRIS-UHFFFAOYSA-N 1 0 339.483 3.783 50 0 EHAARO Cn1nccc1[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000089741115 217834806 /nfs/dbraw/zinc/83/48/06/217834806.db2.gz AROVEELMHAGKQY-OAHLLOKOSA-N 1 0 340.402 3.594 50 0 EHAARO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)C1 ZINC000089885207 217872248 /nfs/dbraw/zinc/87/22/48/217872248.db2.gz RRPFUQYBRJXITG-CRAIPNDOSA-N 1 0 343.446 3.547 50 0 EHAARO Cc1cccc(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000012476625 211392161 /nfs/dbraw/zinc/39/21/61/211392161.db2.gz XHJTXJFAFPLHNV-HXUWFJFHSA-N 1 0 328.500 3.698 50 0 EHAARO Cc1cccc(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000012476631 211391917 /nfs/dbraw/zinc/39/19/17/211391917.db2.gz XHJTXJFAFPLHNV-FQEVSTJZSA-N 1 0 328.500 3.698 50 0 EHAARO Cc1ccccc1-c1cnnc(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000012439543 211382473 /nfs/dbraw/zinc/38/24/73/211382473.db2.gz XUSMKCYTLIQLPG-QFBILLFUSA-N 1 0 337.471 3.523 50 0 EHAARO CC(C)c1ccccc1OCCOC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000012377670 211360766 /nfs/dbraw/zinc/36/07/66/211360766.db2.gz YXDQQRCSNQVCON-CEXWTWQISA-N 1 0 349.515 3.829 50 0 EHAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]12CC[N@@H+](C1CCCCC1)C2 ZINC000012315566 211343447 /nfs/dbraw/zinc/34/34/47/211343447.db2.gz FMFXJEPWMCGTQY-NRFANRHFSA-N 1 0 344.474 3.973 50 0 EHAARO C[C@H](C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1)c1ccccc1 ZINC000012162305 211309936 /nfs/dbraw/zinc/30/99/36/211309936.db2.gz BPRWQXIAGUKSJM-QGZVFWFLSA-N 1 0 332.451 3.607 50 0 EHAARO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000012076227 211286360 /nfs/dbraw/zinc/28/63/60/211286360.db2.gz JPHQYXPDXBWILV-QGZVFWFLSA-N 1 0 329.469 3.869 50 0 EHAARO O=C(c1ccoc1)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012031485 211280867 /nfs/dbraw/zinc/28/08/67/211280867.db2.gz YJNVJTZOKWXDEE-HXUWFJFHSA-N 1 0 330.472 3.788 50 0 EHAARO Cc1ccc(CN2C[C@@H]3C[C@@H](c4ccsc4)[N@@H+]4CCC[C@@]34C2=O)o1 ZINC000011996894 211278040 /nfs/dbraw/zinc/27/80/40/211278040.db2.gz IJIKSDVXNWPXDW-IEZWGBDMSA-N 1 0 342.464 3.588 50 0 EHAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000091526798 218017488 /nfs/dbraw/zinc/01/74/88/218017488.db2.gz QDIDDJRPXVPRED-HNNXBMFYSA-N 1 0 339.483 3.792 50 0 EHAARO Cc1ccccc1CN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011868138 211260817 /nfs/dbraw/zinc/26/08/17/211260817.db2.gz ZTTNLBSZRSIKOQ-HXUWFJFHSA-N 1 0 340.442 3.805 50 0 EHAARO O=C(NCc1nc2ccccc2o1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091586376 218025450 /nfs/dbraw/zinc/02/54/50/218025450.db2.gz PVGGEDKCJSDWPR-UHFFFAOYSA-N 1 0 349.434 3.744 50 0 EHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH+]1CCCCC1)C3 ZINC000011787878 211248801 /nfs/dbraw/zinc/24/88/01/211248801.db2.gz MGJIWRSMSPPMGN-AWEZNQCLSA-N 1 0 345.512 3.601 50 0 EHAARO CCc1ccccc1OCC[N@H+]1CCC[C@H](c2nccn2CC)C1 ZINC000091665709 218044773 /nfs/dbraw/zinc/04/47/73/218044773.db2.gz NTVAUJIFQUJHGR-SFHVURJKSA-N 1 0 327.472 3.724 50 0 EHAARO Cc1c(C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)[nH]c2c1c(C)ccc2C ZINC000091807652 218069040 /nfs/dbraw/zinc/06/90/40/218069040.db2.gz AKGCKBQXDFAVMJ-OAHLLOKOSA-N 1 0 339.483 3.792 50 0 EHAARO COCC[C@]1(CO)CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000091713383 218053458 /nfs/dbraw/zinc/05/34/58/218053458.db2.gz SOQZTDNVSVGKMY-OAQYLSRUSA-N 1 0 347.499 3.619 50 0 EHAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000092062201 218111411 /nfs/dbraw/zinc/11/14/11/218111411.db2.gz SOYAESOWRANTSH-SFHVURJKSA-N 1 0 331.485 3.622 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCc1ccc(Cl)cc1 ZINC000010310919 211161679 /nfs/dbraw/zinc/16/16/79/211161679.db2.gz CEELGFYRSOZWNC-GOSISDBHSA-N 1 0 328.843 3.793 50 0 EHAARO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000009992067 211139441 /nfs/dbraw/zinc/13/94/41/211139441.db2.gz LYNNJIIEWIEDJZ-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO O=C(Nc1nnc(C2CC2)s1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009479384 211089321 /nfs/dbraw/zinc/08/93/21/211089321.db2.gz OPJWRNKAAKDQSV-UHFFFAOYSA-N 1 0 342.468 3.654 50 0 EHAARO CC[C@H]1CN(C(=O)c2ccc(-c3ccccc3)n2C)CC[N@@H+]1C(C)C ZINC000095373216 218305114 /nfs/dbraw/zinc/30/51/14/218305114.db2.gz FIWJOZGVRFROEM-SFHVURJKSA-N 1 0 339.483 3.637 50 0 EHAARO O=C(c1cccn1C1CC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095383815 218316191 /nfs/dbraw/zinc/31/61/91/218316191.db2.gz XVPCAXYMPMOMQY-AZUAARDMSA-N 1 0 349.478 3.560 50 0 EHAARO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1C ZINC000008862584 211011846 /nfs/dbraw/zinc/01/18/46/211011846.db2.gz FIWMFYSVJBEHMF-GOSISDBHSA-N 1 0 328.481 3.932 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(Cl)c2SC)C1 ZINC000095407651 218343790 /nfs/dbraw/zinc/34/37/90/218343790.db2.gz SLEVXRAMALQQJX-GFCCVEGCSA-N 1 0 341.908 3.867 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cccs1 ZINC000095420847 218362091 /nfs/dbraw/zinc/36/20/91/218362091.db2.gz XJZVPKOTIVVMQM-HOTGVXAUSA-N 1 0 330.497 3.820 50 0 EHAARO COc1ccccc1N1CCC[C@@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000095422617 218365103 /nfs/dbraw/zinc/36/51/03/218365103.db2.gz BSMUVYXYMGJKDY-WMLDXEAASA-N 1 0 329.419 3.549 50 0 EHAARO Cc1noc(C)c1CCC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000095423663 218366110 /nfs/dbraw/zinc/36/61/10/218366110.db2.gz YAMNEJQPIDOZLK-CYBMUJFWSA-N 1 0 343.427 3.531 50 0 EHAARO COc1ccc(-c2ccc(C[NH2+]Cc3cnn(C)c3C)s2)cc1 ZINC000095440127 218384958 /nfs/dbraw/zinc/38/49/58/218384958.db2.gz LOVXBJJUPKQMCC-UHFFFAOYSA-N 1 0 327.453 3.755 50 0 EHAARO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000008324179 210934861 /nfs/dbraw/zinc/93/48/61/210934861.db2.gz SARCAMPDRUKEBY-GFCCVEGCSA-N 1 0 330.350 3.644 50 0 EHAARO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1cccs1 ZINC000095969305 218474375 /nfs/dbraw/zinc/47/43/75/218474375.db2.gz DYZSEWUSBKPHLM-NVXWUHKLSA-N 1 0 328.481 3.632 50 0 EHAARO C[NH+](C)C1CCN(Cc2ccc(Br)c3cccnc23)CC1 ZINC000096497162 218874340 /nfs/dbraw/zinc/87/43/40/218874340.db2.gz VCISLXFYYVHOQN-UHFFFAOYSA-N 1 0 348.288 3.523 50 0 EHAARO COc1ccc(C[NH2+]Cc2cccc(Br)c2)c(OC)c1 ZINC000004891728 210312617 /nfs/dbraw/zinc/31/26/17/210312617.db2.gz BDFSLNPUDRXDAM-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO O=C(N[C@@H]1CCCC[C@@H]1OCc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC000154120420 224207011 /nfs/dbraw/zinc/20/70/11/224207011.db2.gz DROOHWFDVFYMSY-UXHICEINSA-N 1 0 349.434 3.592 50 0 EHAARO O=C(Nc1cc(Cl)ccc1F)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000119772523 221397189 /nfs/dbraw/zinc/39/71/89/221397189.db2.gz FTPAPZZYOCFURW-ZDUSSCGKSA-N 1 0 339.842 3.819 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000299740077 258010093 /nfs/dbraw/zinc/01/00/93/258010093.db2.gz VMXZXVHDVDMKLG-GOEBONIOSA-N 1 0 342.414 3.817 50 0 EHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000299738551 258011161 /nfs/dbraw/zinc/01/11/61/258011161.db2.gz CEELBMBGKINAHO-HZPDHXFCSA-N 1 0 330.472 3.598 50 0 EHAARO CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299781299 258090259 /nfs/dbraw/zinc/09/02/59/258090259.db2.gz QXUIPXZLYVFHHI-HBMCJLEFSA-N 1 0 334.463 3.871 50 0 EHAARO COC(C)(C)c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299801224 258103978 /nfs/dbraw/zinc/10/39/78/258103978.db2.gz XOFCWVPYPRALLU-XHSDSOJGSA-N 1 0 327.428 3.644 50 0 EHAARO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000007786657 258053522 /nfs/dbraw/zinc/05/35/22/258053522.db2.gz IYZXREAVQZKQAT-UHFFFAOYSA-N 1 0 343.298 3.917 50 0 EHAARO COc1ccccc1COC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000095999479 262535012 /nfs/dbraw/zinc/53/50/12/262535012.db2.gz OYUPPNLQKBKPNI-UHFFFAOYSA-N 1 0 327.424 3.582 50 0 EHAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000014094113 524954977 /nfs/dbraw/zinc/95/49/77/524954977.db2.gz ZVIKUQAKSZZNHK-XJKSGUPXSA-N 1 0 332.444 3.902 50 0 EHAARO CN(CCC(=O)Nc1cccc2ccccc21)C[C@@H]1CCCC[N@@H+]1C ZINC000244601921 536306396 /nfs/dbraw/zinc/30/63/96/536306396.db2.gz DUKQKRKACBMTAN-SFHVURJKSA-N 1 0 339.483 3.585 50 0 EHAARO COc1cccc(-c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)c1 ZINC000216235342 537064689 /nfs/dbraw/zinc/06/46/89/537064689.db2.gz OYGCOAFITOGQJI-LJQANCHMSA-N 1 0 338.451 3.528 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cc2cc(Cl)ccc2o1 ZINC000095988014 564144020 /nfs/dbraw/zinc/14/40/20/564144020.db2.gz UZSGBYSFXKEYFT-WDEREUQCSA-N 1 0 329.849 3.560 50 0 EHAARO C[NH+](C)CCC[C@@H]1c2ccccc2-c2ccccc2CS1(=O)=O ZINC000000346301 563287706 /nfs/dbraw/zinc/28/77/06/563287706.db2.gz UPONXJGKVSUHOI-LJQANCHMSA-N 1 0 329.465 3.665 50 0 EHAARO COC1=Cc2ccccc2[C@](O)(C2CC[NH+](C)CC2)c2ccsc21 ZINC000000347411 563287932 /nfs/dbraw/zinc/28/79/32/563287932.db2.gz AAYKXJAFSKIHRK-HXUWFJFHSA-N 1 0 341.476 3.784 50 0 in-vitro EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2)CC1 ZINC000000806929 563363765 /nfs/dbraw/zinc/36/37/65/563363765.db2.gz HNMMCYFQUAMHII-UHFFFAOYSA-N 1 0 337.467 3.698 50 0 EHAARO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1OC)Cc1ccccc1 ZINC000002765002 563449759 /nfs/dbraw/zinc/44/97/59/563449759.db2.gz YOSFWHYLXKIUJO-UHFFFAOYSA-N 1 0 342.439 3.555 50 0 EHAARO c1coc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)o2)c1 ZINC000071892929 563476534 /nfs/dbraw/zinc/47/65/34/563476534.db2.gz FVRPVZURCAZQTG-ZDUSSCGKSA-N 1 0 349.394 3.586 50 0 EHAARO Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)s1 ZINC000012578959 563663836 /nfs/dbraw/zinc/66/38/36/563663836.db2.gz RIMHGDPRLYWOAD-KRWDZBQOSA-N 1 0 328.481 3.793 50 0 EHAARO COc1ccc(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000013143356 563691371 /nfs/dbraw/zinc/69/13/71/563691371.db2.gz BJLIVVSDLXNEDM-MSOLQXFVSA-N 1 0 329.827 3.877 50 0 EHAARO CNC(=O)c1ccc(C[N@H+](CCc2ccccc2)Cc2ccco2)cc1 ZINC000032804041 563741048 /nfs/dbraw/zinc/74/10/48/563741048.db2.gz FCQHVMZAXKNTII-UHFFFAOYSA-N 1 0 348.446 3.884 50 0 EHAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CCOCC2)c1C ZINC000014975046 563769540 /nfs/dbraw/zinc/76/95/40/563769540.db2.gz SKEDHBVLZFNHJC-SFHVURJKSA-N 1 0 325.456 3.635 50 0 EHAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000015078030 563776874 /nfs/dbraw/zinc/77/68/74/563776874.db2.gz LBTXHJRBGZRJSP-KRWDZBQOSA-N 1 0 325.412 3.687 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000032902453 563788023 /nfs/dbraw/zinc/78/80/23/563788023.db2.gz ZHTCCMAZMDBOCU-GOSISDBHSA-N 1 0 332.394 3.778 50 0 EHAARO COc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000015831542 563793412 /nfs/dbraw/zinc/79/34/12/563793412.db2.gz JFAVOKUBCREHTB-GOSISDBHSA-N 1 0 344.499 3.956 50 0 EHAARO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000015860025 563796567 /nfs/dbraw/zinc/79/65/67/563796567.db2.gz DNUQBNBCWVUYOO-GOSISDBHSA-N 1 0 342.439 3.635 50 0 EHAARO Cc1cccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)c1 ZINC000016606509 563817362 /nfs/dbraw/zinc/81/73/62/563817362.db2.gz AREWXHGEMOZIHW-UHFFFAOYSA-N 1 0 336.479 3.566 50 0 EHAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000017070372 563832734 /nfs/dbraw/zinc/83/27/34/563832734.db2.gz DAGBAPKNRMWHBZ-UHFFFAOYSA-N 1 0 328.460 3.544 50 0 EHAARO C[C@H]1Cc2ccccc2N1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043127292 563845916 /nfs/dbraw/zinc/84/59/16/563845916.db2.gz KLELMSCHWVUGCS-BBRMVZONSA-N 1 0 329.469 3.512 50 0 EHAARO O=C1c2ccccc2OC/C1=C\c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000001021630 563852501 /nfs/dbraw/zinc/85/25/01/563852501.db2.gz XCDYHRHTVFMUBH-OBGWFSINSA-N 1 0 349.430 3.820 50 0 EHAARO CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000023228135 563866161 /nfs/dbraw/zinc/86/61/61/563866161.db2.gz WHHXIAPPMYYDPW-FQEVSTJZSA-N 1 0 337.467 3.571 50 0 EHAARO O=C(CCc1ccsc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189943 563869608 /nfs/dbraw/zinc/86/96/08/563869608.db2.gz DGIOHXAFQYYTJW-UHFFFAOYSA-N 1 0 328.481 3.593 50 0 EHAARO CC1(C)CC(N2CCCC2)=CC(=[N+]2CCN(c3ccccc3)CC2)C1 ZINC000025326547 563883229 /nfs/dbraw/zinc/88/32/29/563883229.db2.gz RFSFASIMEZONPU-UHFFFAOYSA-N 1 0 338.519 3.760 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1F ZINC000029841644 563908614 /nfs/dbraw/zinc/90/86/14/563908614.db2.gz LNZJVVXZCQCWFA-UHFFFAOYSA-N 1 0 346.833 3.657 50 0 EHAARO CC(C)(CNC(=O)CCCc1c[nH]c2ccccc12)[NH+]1CCCCC1 ZINC000032978548 563920526 /nfs/dbraw/zinc/92/05/26/563920526.db2.gz GTBFKFSBHYWDBT-UHFFFAOYSA-N 1 0 341.499 3.871 50 0 EHAARO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000060361180 563935445 /nfs/dbraw/zinc/93/54/45/563935445.db2.gz KXVJPYDRKIKDHK-OAHLLOKOSA-N 1 0 342.405 3.690 50 0 EHAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000058081480 563937134 /nfs/dbraw/zinc/93/71/34/563937134.db2.gz HVMIASPINQGXDM-BBRMVZONSA-N 1 0 339.391 3.888 50 0 EHAARO CCC[N@H+](CCOc1ccccc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000058173126 563938944 /nfs/dbraw/zinc/93/89/44/563938944.db2.gz RKVUWSWPEZVFTJ-MRXNPFEDSA-N 1 0 344.430 3.944 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccco1 ZINC000058278955 563941492 /nfs/dbraw/zinc/94/14/92/563941492.db2.gz DIOALPIUSUYCFW-AWEZNQCLSA-N 1 0 333.432 3.512 50 0 EHAARO Cc1ccc(CC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1 ZINC000058429939 563946216 /nfs/dbraw/zinc/94/62/16/563946216.db2.gz JZFSFKCKANPWPR-INIZCTEOSA-N 1 0 337.467 3.803 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1ccc(F)cc1)Cc1cnc2ccccc2n1 ZINC000063868514 563956274 /nfs/dbraw/zinc/95/62/74/563956274.db2.gz WYOGZGDXERBGDA-SFHVURJKSA-N 1 0 339.414 3.542 50 0 EHAARO Cc1cccc2c(-c3c(-c4ccccc4)ncn3CC[NH3+])cn(C)c21 ZINC000065375340 563958738 /nfs/dbraw/zinc/95/87/38/563958738.db2.gz SHJAQZPEZXMMLV-UHFFFAOYSA-N 1 0 330.435 3.976 50 0 EHAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068914 563959587 /nfs/dbraw/zinc/95/95/87/563959587.db2.gz FIFGWOHVQJNGIL-UHFFFAOYSA-N 1 0 347.871 3.740 50 0 EHAARO CC(=O)N1CCCC[C@H]1C1=CCC[N@H+](CCSc2ccccc2)C1 ZINC000065397697 563959779 /nfs/dbraw/zinc/95/97/79/563959779.db2.gz QTRYGUGNMDETSI-FQEVSTJZSA-N 1 0 344.524 3.812 50 0 EHAARO CC(=O)N(CC1=CCC[N@H+](CCCF)C1)[C@@H]1CCCc2ccccc21 ZINC000065469212 563961380 /nfs/dbraw/zinc/96/13/80/563961380.db2.gz RIVAWUPGETZXTP-OAQYLSRUSA-N 1 0 344.474 3.904 50 0 EHAARO CC(=O)N1CCCC[C@@H]1C1=CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000065493095 563961589 /nfs/dbraw/zinc/96/15/89/563961589.db2.gz ZLWPABYLMGWGIL-JOCHJYFZSA-N 1 0 349.478 3.768 50 0 EHAARO Cc1cc(N[C@@H](C[NH+](C)C)c2ccccc2)nc(-c2cccnc2)n1 ZINC000065527449 563961839 /nfs/dbraw/zinc/96/18/39/563961839.db2.gz RGOVPXPHUPNHLF-SFHVURJKSA-N 1 0 333.439 3.562 50 0 EHAARO CCNc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)cn1 ZINC000071552122 563964548 /nfs/dbraw/zinc/96/45/48/563964548.db2.gz LEOTWUYLBGQMGF-INIZCTEOSA-N 1 0 342.462 3.892 50 0 EHAARO O=c1[nH]ccc2ccc(-c3cc(O)cc(CC[C@H]4CCCC[NH2+]4)c3)cc21 ZINC000071589665 563964603 /nfs/dbraw/zinc/96/46/03/563964603.db2.gz ACEGDWSQSYKGSM-LJQANCHMSA-N 1 0 348.446 3.975 50 0 EHAARO CCC[C@H]([NH3+])C(=O)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000071746422 563964979 /nfs/dbraw/zinc/96/49/79/563964979.db2.gz KOHCUMVLRGVOSQ-SFHVURJKSA-N 1 0 349.434 3.507 50 0 EHAARO Cc1nc(C)c(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)s1 ZINC000097017136 563966766 /nfs/dbraw/zinc/96/67/66/563966766.db2.gz FXRCEJHSQSQBAM-UHFFFAOYSA-N 1 0 347.503 3.696 50 0 EHAARO COC(=O)CN1C(C)=[NH+]c2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000097165840 563968517 /nfs/dbraw/zinc/96/85/17/563968517.db2.gz GTDBFWZBBMUKEQ-SFHVURJKSA-N 1 0 328.799 3.968 50 0 EHAARO Cc1nc2ccccc2nc1CN1CCC[N@@H+](C2CCCCC2)CC1 ZINC000077323296 563968962 /nfs/dbraw/zinc/96/89/62/563968962.db2.gz MAQYJSKKQPCQDR-UHFFFAOYSA-N 1 0 338.499 3.779 50 0 EHAARO Cc1cncc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1 ZINC000077340089 563969034 /nfs/dbraw/zinc/96/90/34/563969034.db2.gz UWFPQWXWBLALRS-HXUWFJFHSA-N 1 0 337.467 3.819 50 0 EHAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000077420927 563969567 /nfs/dbraw/zinc/96/95/67/563969567.db2.gz KSXGYYOSKMIFOM-UHFFFAOYSA-N 1 0 325.456 3.649 50 0 EHAARO COCCC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000077420525 563969602 /nfs/dbraw/zinc/96/96/02/563969602.db2.gz MKPNPOWMEMSIAQ-GOSISDBHSA-N 1 0 327.472 3.819 50 0 EHAARO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1ccc(-n2ccnc2)cc1 ZINC000077455685 563969749 /nfs/dbraw/zinc/96/97/49/563969749.db2.gz LNNUMPAJTPPECK-UHFFFAOYSA-N 1 0 345.406 3.554 50 0 EHAARO CC(=O)N1CCC([NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)CC1 ZINC000097081517 563972912 /nfs/dbraw/zinc/97/29/12/563972912.db2.gz VEOHLLVIBAOHFC-QGZVFWFLSA-N 1 0 326.843 3.777 50 0 EHAARO CCOC[C@@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000585141659 563973389 /nfs/dbraw/zinc/97/33/89/563973389.db2.gz YSMXPMGKIPXXCJ-MRXNPFEDSA-N 1 0 334.460 3.892 50 0 EHAARO COC(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095527450 563977497 /nfs/dbraw/zinc/97/74/97/563977497.db2.gz XBONGDYOTLZCNP-SFHVURJKSA-N 1 0 345.487 3.695 50 0 EHAARO NC(=[NH2+])N1CCC[C@@H](CN2c3ccccc3Sc3ccccc32)C1 ZINC000072233770 563986038 /nfs/dbraw/zinc/98/60/38/563986038.db2.gz ABZLBTRDAJAOMO-CQSZACIVSA-N 1 0 338.480 3.895 50 0 EHAARO COc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cccs1 ZINC000000212628 563988537 /nfs/dbraw/zinc/98/85/37/563988537.db2.gz ZVDGOCOIYLITPT-UHFFFAOYSA-N 1 0 349.525 3.517 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000011946797 563995568 /nfs/dbraw/zinc/99/55/68/563995568.db2.gz USTFXYGBZWEWKT-UHFFFAOYSA-N 1 0 349.887 3.796 50 0 EHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426489408 563995789 /nfs/dbraw/zinc/99/57/89/563995789.db2.gz ULLJLCHGVGKXMC-IXDOHACOSA-N 1 0 343.389 3.864 50 0 EHAARO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000078756197 564000919 /nfs/dbraw/zinc/00/09/19/564000919.db2.gz KMEREEMGHFGIQE-CZUORRHYSA-N 1 0 332.488 3.761 50 0 EHAARO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000005481448 564014097 /nfs/dbraw/zinc/01/40/97/564014097.db2.gz YQRWWUPCBIEOPJ-LJQANCHMSA-N 1 0 340.467 3.912 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc(C(C)C)on2)CC1 ZINC000120604448 564025359 /nfs/dbraw/zinc/02/53/59/564025359.db2.gz HCSPARCHCLCMOE-UHFFFAOYSA-N 1 0 341.455 3.501 50 0 EHAARO C[C@@H](Cc1nnc(SCC[N@@H+]2CC[C@H](C)C2)o1)c1ccccc1 ZINC000107075233 564026794 /nfs/dbraw/zinc/02/67/94/564026794.db2.gz NJPBDOVIJOJABW-GJZGRUSLSA-N 1 0 331.485 3.850 50 0 EHAARO CC(C)N(C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000108146043 564027898 /nfs/dbraw/zinc/02/78/98/564027898.db2.gz FFKSPTIXWZPDAW-CJNGLKHVSA-N 1 0 341.858 3.522 50 0 EHAARO C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000004427969 564029843 /nfs/dbraw/zinc/02/98/43/564029843.db2.gz GLWKVBMAXIHLJD-GELPZEIDSA-N 1 0 349.559 3.732 50 0 biogenic EHAARO O=C(Nc1cccc(C[NH2+]Cc2ccncc2)c1)c1cccc(F)c1 ZINC000048781514 564032225 /nfs/dbraw/zinc/03/22/25/564032225.db2.gz AJVNJOPVLDQOHA-UHFFFAOYSA-N 1 0 335.382 3.763 50 0 EHAARO COc1ccc(CN(C)Cc2ccnc(C)c2)cc1C[NH+]1CCCC1 ZINC000215940358 564033699 /nfs/dbraw/zinc/03/36/99/564033699.db2.gz XDRLRZSTKCNTKK-UHFFFAOYSA-N 1 0 339.483 3.626 50 0 EHAARO O=C(O[C@H]1CCc2cccnc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000225604198 564048304 /nfs/dbraw/zinc/04/83/04/564048304.db2.gz JVYFALCMWKTLIV-IBGZPJMESA-N 1 0 336.435 3.912 50 0 EHAARO CC(C)n1cc2cc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)ccc2n1 ZINC000241383384 564052003 /nfs/dbraw/zinc/05/20/03/564052003.db2.gz MUZISHYICSMEDF-UHFFFAOYSA-N 1 0 348.450 3.558 50 0 EHAARO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000025229027 564053871 /nfs/dbraw/zinc/05/38/71/564053871.db2.gz ASVTUSWKXGUDDQ-FUHWJXTLSA-N 1 0 345.464 3.528 50 0 EHAARO Cc1cnccc1CN(C)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299774505 564060830 /nfs/dbraw/zinc/06/08/30/564060830.db2.gz CZZBAUGLBLEFKM-HBMCJLEFSA-N 1 0 349.478 3.574 50 0 EHAARO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000083216600 564062020 /nfs/dbraw/zinc/06/20/20/564062020.db2.gz AOJAAZARHPWUNX-QGZVFWFLSA-N 1 0 347.821 3.837 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000012697566 564063403 /nfs/dbraw/zinc/06/34/03/564063403.db2.gz WAUVNKJYZMPVJR-QWHCGFSZSA-N 1 0 332.271 3.998 50 0 EHAARO COc1ccc(C2=CC[N@H+](Cc3cccc4c3OCCO4)CC2)cc1 ZINC000083943720 564064934 /nfs/dbraw/zinc/06/49/34/564064934.db2.gz DWLGTWARSYWJBO-UHFFFAOYSA-N 1 0 337.419 3.756 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C(C)=O)s1)c1ccccc1 ZINC000012742993 564065521 /nfs/dbraw/zinc/06/55/21/564065521.db2.gz FBCBTGITNFFANR-INIZCTEOSA-N 1 0 344.480 3.764 50 0 EHAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000084691701 564069647 /nfs/dbraw/zinc/06/96/47/564069647.db2.gz SWOJKJVUWHYUIQ-WSTZPKSXSA-N 1 0 328.500 3.873 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000084736287 564069944 /nfs/dbraw/zinc/06/99/44/564069944.db2.gz HNAQZVZEVSKJPX-KBXCAEBGSA-N 1 0 346.446 3.945 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000084736351 564069954 /nfs/dbraw/zinc/06/99/54/564069954.db2.gz RFTVJQRNFQUCJX-PXNSSMCTSA-N 1 0 339.483 3.608 50 0 EHAARO CCOc1ccc(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000012816449 564073167 /nfs/dbraw/zinc/07/31/67/564073167.db2.gz VCBONFLPFGAMAV-UHFFFAOYSA-N 1 0 340.467 3.857 50 0 EHAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000026121209 564077316 /nfs/dbraw/zinc/07/73/16/564077316.db2.gz CHLMVNHKWLHWHQ-UHFFFAOYSA-N 1 0 342.487 3.883 50 0 EHAARO CC(=O)N1CCC([NH2+]Cc2ccc(C)cc2Oc2ccccc2)CC1 ZINC000088754486 564079855 /nfs/dbraw/zinc/07/98/55/564079855.db2.gz WGXJPJFGEAMFLJ-UHFFFAOYSA-N 1 0 338.451 3.888 50 0 EHAARO C[C@H](Cc1nnc(SCC[N@@H+]2CC[C@@H](C)C2)o1)c1ccccc1 ZINC000075108799 564080234 /nfs/dbraw/zinc/08/02/34/564080234.db2.gz NJPBDOVIJOJABW-HUUCEWRRSA-N 1 0 331.485 3.850 50 0 EHAARO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000075108863 564080251 /nfs/dbraw/zinc/08/02/51/564080251.db2.gz URJWBHSITWWELY-SECBINFHSA-N 1 0 327.211 3.959 50 0 EHAARO Cn1cc([C@@H](CNC(=O)Nc2cccs2)[NH+](C)C)c2ccccc21 ZINC000075149202 564080845 /nfs/dbraw/zinc/08/08/45/564080845.db2.gz HDQWWDOQECHXID-MRXNPFEDSA-N 1 0 342.468 3.664 50 0 EHAARO CN1CCc2c(oc3[nH]c(=S)n(-c4ccccc4)c(=S)c23)C1 ZINC000075260308 564081269 /nfs/dbraw/zinc/08/12/69/564081269.db2.gz JTAKLWHNDVJIFY-UHFFFAOYSA-N 1 0 329.450 3.625 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1F ZINC000008724338 564082284 /nfs/dbraw/zinc/08/22/84/564082284.db2.gz PSEMFQPASQERFM-OAHLLOKOSA-N 1 0 335.354 3.516 50 0 EHAARO Cc1ccc(NC(=O)N2CCC[C@H](Oc3ccncc3)C2)cc1C ZINC000575611200 564082626 /nfs/dbraw/zinc/08/26/26/564082626.db2.gz CDDFINPAGKYNBO-SFHVURJKSA-N 1 0 325.412 3.774 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccs1)c1cc2ccccc2o1 ZINC000575622153 564083910 /nfs/dbraw/zinc/08/39/10/564083910.db2.gz WSBMXMVJARVHFV-ZDUSSCGKSA-N 1 0 329.425 3.919 50 0 EHAARO C[C@H](NCc1nc(C2CC2)cs1)c1cccc(N2CCOC2=O)c1 ZINC000090460641 564084485 /nfs/dbraw/zinc/08/44/85/564084485.db2.gz IMNMGVAJGUXVNI-LBPRGKRZSA-N 1 0 343.452 3.828 50 0 EHAARO c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000090543078 564084662 /nfs/dbraw/zinc/08/46/62/564084662.db2.gz KIHPVFXNHLCTQG-RYQLBKOJSA-N 1 0 335.538 3.661 50 0 EHAARO Cn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000091830554 564087970 /nfs/dbraw/zinc/08/79/70/564087970.db2.gz IAFFMZUNRGSWLG-KRWDZBQOSA-N 1 0 340.471 3.516 50 0 EHAARO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc4[nH]ccc43)C[C@H]2[C@@H]1c1ccccc1 ZINC000241466206 564088374 /nfs/dbraw/zinc/08/83/74/564088374.db2.gz NVOFFOINPHZWON-BSIFCXSSSA-N 1 0 345.446 3.543 50 0 EHAARO c1cnc(N2CCCCC2)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000241774202 564088421 /nfs/dbraw/zinc/08/84/21/564088421.db2.gz RNWPMAGRAFYJCX-GUDVDZBRSA-N 1 0 341.499 3.509 50 0 EHAARO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000241862560 564088435 /nfs/dbraw/zinc/08/84/35/564088435.db2.gz SRCBQPGZXAXEHF-WMZOPIPTSA-N 1 0 326.465 3.905 50 0 EHAARO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000089375269 564089929 /nfs/dbraw/zinc/08/99/29/564089929.db2.gz SIWHKQFZCQBYBS-ABAIWWIYSA-N 1 0 342.270 3.941 50 0 EHAARO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590901 564092617 /nfs/dbraw/zinc/09/26/17/564092617.db2.gz PKOLJIOMPSZEFG-UHFFFAOYSA-N 1 0 345.805 3.509 50 0 EHAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2ccsc2)cc1 ZINC000426431125 564093772 /nfs/dbraw/zinc/09/37/72/564093772.db2.gz NNZONAVUWWRTTQ-HNNXBMFYSA-N 1 0 328.481 3.829 50 0 EHAARO CN(C(=O)c1ccc(-c2ncccc2Cl)cc1)C1CC[NH+](C)CC1 ZINC000426511708 564093964 /nfs/dbraw/zinc/09/39/64/564093964.db2.gz PRZSYDFPTMRVMG-UHFFFAOYSA-N 1 0 343.858 3.568 50 0 EHAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000426533765 564094046 /nfs/dbraw/zinc/09/40/46/564094046.db2.gz IINVOBQTCAPQFM-ZDUSSCGKSA-N 1 0 348.368 3.806 50 0 EHAARO O=C(NCc1ccccc1Cl)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817948 564096432 /nfs/dbraw/zinc/09/64/32/564096432.db2.gz KBVDLHTWHZLAII-UHFFFAOYSA-N 1 0 340.854 3.789 50 0 EHAARO Cc1ccc(C)c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000155441949 564098383 /nfs/dbraw/zinc/09/83/83/564098383.db2.gz WKTVFDFTNBNLAU-KRWDZBQOSA-N 1 0 337.467 3.654 50 0 EHAARO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249207563 564103686 /nfs/dbraw/zinc/10/36/86/564103686.db2.gz WVPMWODPKGAPPX-IMAIISDXSA-N 1 0 325.440 3.777 50 0 EHAARO COc1cccc(-c2oncc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000065288907 564104717 /nfs/dbraw/zinc/10/47/17/564104717.db2.gz JHJLDKBHFSOTCO-UHFFFAOYSA-N 1 0 349.434 3.672 50 0 EHAARO CC(C)[N@H+](C)CC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000065496334 564106531 /nfs/dbraw/zinc/10/65/31/564106531.db2.gz ROFLJTYOUAUQGL-UHFFFAOYSA-N 1 0 343.496 3.590 50 0 EHAARO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1cccc(-c2ncco2)c1 ZINC000170592808 564108905 /nfs/dbraw/zinc/10/89/05/564108905.db2.gz ULGNNHDZKHFOFQ-MNEFBYGVSA-N 1 0 341.455 3.643 50 0 EHAARO Cc1nc(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)cs1 ZINC000089712477 564113352 /nfs/dbraw/zinc/11/33/52/564113352.db2.gz UHVMYMPHLNXCTQ-QGZVFWFLSA-N 1 0 341.521 3.871 50 0 EHAARO C[N@H+](Cc1coc(-c2c(F)cccc2F)n1)C1CCC(CO)CC1 ZINC000089924276 564115313 /nfs/dbraw/zinc/11/53/13/564115313.db2.gz YEKZJEJKCHHFCF-UHFFFAOYSA-N 1 0 336.382 3.603 50 0 EHAARO COc1ccc(F)cc1[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000237182415 564117736 /nfs/dbraw/zinc/11/77/36/564117736.db2.gz MYLWTRDIBZUQIV-AWEZNQCLSA-N 1 0 329.419 3.549 50 0 EHAARO Cc1nc(-c2cccc(C(=O)O[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cs1 ZINC000252502973 564119852 /nfs/dbraw/zinc/11/98/52/564119852.db2.gz UWDUJTYKGHHOSE-DLBZAZTESA-N 1 0 342.464 3.902 50 0 EHAARO COc1cc(NC(=O)N2CCC[C@H]2Cn2ccnc2C)ccc1Cl ZINC000194372939 564120521 /nfs/dbraw/zinc/12/05/21/564120521.db2.gz IQBZPDXYTLCDLG-AWEZNQCLSA-N 1 0 348.834 3.550 50 0 EHAARO CCC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(F)cc1F)c1ccccc1 ZINC000170676207 564121348 /nfs/dbraw/zinc/12/13/48/564121348.db2.gz PTVHQEOFGYVBCP-YJBOKZPZSA-N 1 0 332.394 3.665 50 0 EHAARO [NH3+][C@@H](CCC(=O)N1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195543126 564123688 /nfs/dbraw/zinc/12/36/88/564123688.db2.gz UZWIDHAZAACBHN-OALUTQOASA-N 1 0 326.415 3.969 50 0 EHAARO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000253397412 564130556 /nfs/dbraw/zinc/13/05/56/564130556.db2.gz XBXOBYOAKIALQH-HOTGVXAUSA-N 1 0 327.476 3.553 50 0 EHAARO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000064034190 564133898 /nfs/dbraw/zinc/13/38/98/564133898.db2.gz ZHDQSHASPMOJOI-FQEVSTJZSA-N 1 0 330.472 3.910 50 0 EHAARO Cc1cccc2nc(C3CCN(c4ncnc(N)c4Cl)CC3)oc21 ZINC000225488756 564135189 /nfs/dbraw/zinc/13/51/89/564135189.db2.gz GJESTPCBQHAPMU-UHFFFAOYSA-N 1 0 343.818 3.546 50 0 EHAARO c1cc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000093133810 564137199 /nfs/dbraw/zinc/13/71/99/564137199.db2.gz CIUJJOBYATYYHB-QGZVFWFLSA-N 1 0 348.450 3.864 50 0 EHAARO O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095948094 564142304 /nfs/dbraw/zinc/14/23/04/564142304.db2.gz VBKCPDOWRYBTTB-QRVBRYPASA-N 1 0 345.462 3.593 50 0 EHAARO CC[N@@H+]1CCC[C@H](CNc2nc(-c3cccnc3)nc3ccccc32)C1 ZINC000095957881 564142564 /nfs/dbraw/zinc/14/25/64/564142564.db2.gz OGMUUQBYFXRHRK-MRXNPFEDSA-N 1 0 347.466 3.836 50 0 EHAARO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000095968004 564143138 /nfs/dbraw/zinc/14/31/38/564143138.db2.gz PVRSDEODIZQDRU-STQMWFEESA-N 1 0 327.428 3.830 50 0 EHAARO COc1cccc2cc([C@H](C)[NH2+]CCc3cn4c(n3)CCCC4)oc21 ZINC000095987791 564144006 /nfs/dbraw/zinc/14/40/06/564144006.db2.gz PVJXNBIMPKTRFY-AWEZNQCLSA-N 1 0 339.439 3.868 50 0 EHAARO C[NH+](C)CCn1ccc2ccc(NC(=O)c3scnc3Cl)cc21 ZINC000096443716 564148162 /nfs/dbraw/zinc/14/81/62/564148162.db2.gz DGDNAICBUAMJKK-UHFFFAOYSA-N 1 0 348.859 3.565 50 0 EHAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCC(F)(F)C1 ZINC000282779106 564148260 /nfs/dbraw/zinc/14/82/60/564148260.db2.gz VMSYRVRFYAUACL-QGZVFWFLSA-N 1 0 336.426 3.724 50 0 EHAARO C[C@H]([NH2+]CC(C)(C)CC1CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000096479392 564148570 /nfs/dbraw/zinc/14/85/70/564148570.db2.gz CLQQOUIGXYXFAG-WNSKOXEYSA-N 1 0 337.529 3.918 50 0 EHAARO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)no1 ZINC000096489538 564148701 /nfs/dbraw/zinc/14/87/01/564148701.db2.gz WJCYNPHGBUGMIM-LRDDRELGSA-N 1 0 343.427 3.550 50 0 EHAARO Cc1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C3CC3)C2=O)c(C)c1 ZINC000097011568 564149086 /nfs/dbraw/zinc/14/90/86/564149086.db2.gz GRNLAGLCAFSXRJ-FQEVSTJZSA-N 1 0 348.446 3.600 50 0 EHAARO Cc1nc(-c2cccc(NC3CC[NH+](Cc4cccnc4)CC3)c2)no1 ZINC000097084573 564149347 /nfs/dbraw/zinc/14/93/47/564149347.db2.gz ZTYXUWUPZPLNSF-UHFFFAOYSA-N 1 0 349.438 3.517 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000030630217 564157264 /nfs/dbraw/zinc/15/72/64/564157264.db2.gz OCIFDPNNMNPEDJ-OAHLLOKOSA-N 1 0 334.423 3.682 50 0 EHAARO Nc1cc(N)[nH+]c(SCC(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000003531498 564158811 /nfs/dbraw/zinc/15/88/11/564158811.db2.gz QLDNRTKBEKSQGB-UHFFFAOYSA-N 1 0 342.468 3.664 50 0 EHAARO O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)c1cc(F)cc(Cl)c1 ZINC000670449445 564159305 /nfs/dbraw/zinc/15/93/05/564159305.db2.gz NZVLZIHIZLVDCF-OAHLLOKOSA-N 1 0 346.833 3.698 50 0 EHAARO C[C@H](NC(=O)C1(c2ccccc2)CC[NH+](C)CC1)C1=CCCCC1 ZINC000670468750 564163177 /nfs/dbraw/zinc/16/31/77/564163177.db2.gz LBYKYGVCKXPNDI-KRWDZBQOSA-N 1 0 326.484 3.655 50 0 EHAARO CCn1cc(CN(C)Cc2cc(C[NH+]3CCCCC3)cs2)cn1 ZINC000670473519 564166380 /nfs/dbraw/zinc/16/63/80/564166380.db2.gz SCMORLJVBPWBJD-UHFFFAOYSA-N 1 0 332.517 3.582 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C)s3)cc2C)CC1 ZINC000008705089 564166419 /nfs/dbraw/zinc/16/64/19/564166419.db2.gz AUVFLVUEQAILLZ-UHFFFAOYSA-N 1 0 343.496 3.759 50 0 EHAARO COc1ccc2cc(C(=O)Nc3ccc(C)cc3C[NH+](C)C)[nH]c2c1 ZINC000069777564 564172182 /nfs/dbraw/zinc/17/21/82/564172182.db2.gz ONALMEXNYLUGNK-UHFFFAOYSA-N 1 0 337.423 3.799 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)C=C(C2CC2)C2CC2)CC1 ZINC000069779621 564172203 /nfs/dbraw/zinc/17/22/03/564172203.db2.gz PPQBVMNOMIPCLM-UHFFFAOYSA-N 1 0 339.483 3.878 50 0 EHAARO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@H](c2ccncc2)C1 ZINC000289385854 1018374893 /nfs/dbraw/zinc/37/48/93/1018374893.db2.gz QLKPGMKLQBJIKP-ZBFHGGJFSA-N 1 0 334.423 3.671 50 0 EHAARO CC1(C)C[C@@H]([NH2+]Cc2ccc(OCc3ccncc3)cc2)CCO1 ZINC000160623064 1019982025 /nfs/dbraw/zinc/98/20/25/1019982025.db2.gz RHMDKYKSIBBINF-SFHVURJKSA-N 1 0 326.440 3.708 50 0 EHAARO CCOc1ccc(OCC[N@@H+]2CCC[C@H](n3ccnc3CC)C2)cc1 ZINC000171523191 1034437417 /nfs/dbraw/zinc/43/74/17/1034437417.db2.gz FMXQXDAQLTUKPI-KRWDZBQOSA-N 1 0 343.471 3.560 50 0 EHAARO CCC[C@@]1(COC)CCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000194939636 1035174533 /nfs/dbraw/zinc/17/45/33/1035174533.db2.gz GWAYSKFCUQJIGM-IBGZPJMESA-N 1 0 329.444 3.560 50 0 EHAARO Cc1c(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2)c2ccccc2n1C ZINC000023373035 1035246386 /nfs/dbraw/zinc/24/63/86/1035246386.db2.gz WQTSJYUCTCEVAS-LJQANCHMSA-N 1 0 348.494 3.636 50 0 EHAARO Cc1ccc2c(c1)ncn(CC[C@@H]1CCCC[N@@H+]1C1CCCC1)c2=O ZINC000032547783 1037380937 /nfs/dbraw/zinc/38/09/37/1037380937.db2.gz IMOHRLNZCRBJTA-SFHVURJKSA-N 1 0 339.483 3.892 50 0 EHAARO CCN1CCCCc2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)sc21 ZINC000257175829 1038332615 /nfs/dbraw/zinc/33/26/15/1038332615.db2.gz AAIMUPDKZLWWMR-OAHLLOKOSA-N 1 0 349.544 3.515 50 0 EHAARO O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1COCc3ccccc31)CC2 ZINC000333936130 1041742841 /nfs/dbraw/zinc/74/28/41/1041742841.db2.gz KDONDWPZRWAAEG-PWOUQQLPSA-N 1 0 348.446 3.680 50 0 EHAARO CCc1nc(C)cc(NC[C@@H](c2ccc(Cl)cc2)n2ccnc2)n1 ZINC000888094698 1043206255 /nfs/dbraw/zinc/20/62/55/1043206255.db2.gz ARGLJHAFFGMPHR-INIZCTEOSA-N 1 0 341.846 3.899 50 0 EHAARO C[N@H+](Cc1cccs1)[C@H]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000011868330 1129088733 /nfs/dbraw/zinc/08/87/33/1129088733.db2.gz BDDOSBHMRQLNJJ-INIZCTEOSA-N 1 0 346.471 3.900 50 0 EHAARO C[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccc2ccccc2n1 ZINC000182888516 1125388187 /nfs/dbraw/zinc/38/81/87/1125388187.db2.gz PBFHHUGKDOJZRI-HNNXBMFYSA-N 1 0 334.423 3.640 50 0 EHAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000575547436 1131572058 /nfs/dbraw/zinc/57/20/58/1131572058.db2.gz BTQZVGLXHKEAPE-IBGZPJMESA-N 1 0 325.456 3.686 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Cc3cccs3)CC2)CC1 ZINC000581788064 1132356460 /nfs/dbraw/zinc/35/64/60/1132356460.db2.gz RHSLHKLAUPFJQH-QGZVFWFLSA-N 1 0 334.529 3.651 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581806264 1132368520 /nfs/dbraw/zinc/36/85/20/1132368520.db2.gz NREPWJZSRTWAES-QGZVFWFLSA-N 1 0 330.476 3.748 50 0 EHAARO Cc1cnc(C2CCOCC2)n1CC1C[NH+](C2CCCCCC2)C1 ZINC000581808204 1132370426 /nfs/dbraw/zinc/37/04/26/1132370426.db2.gz YNUKTGVPLXFFJK-UHFFFAOYSA-N 1 0 331.504 3.740 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581807692 1132371191 /nfs/dbraw/zinc/37/11/91/1132371191.db2.gz QKUWHSPQUPZBSV-INIZCTEOSA-N 1 0 344.503 3.823 50 0 EHAARO CC(C)c1cccc(O[C@@H](C)C(=O)Nc2cccc3c2C[NH2+]CC3)c1 ZINC000585088535 1136989324 /nfs/dbraw/zinc/98/93/24/1136989324.db2.gz FYPHERZDSSVFRV-HNNXBMFYSA-N 1 0 338.451 3.862 50 0 EHAARO O=c1c2cc(F)ccc2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000044632602 1137417141 /nfs/dbraw/zinc/41/71/41/1137417141.db2.gz KJEIBGGVRSWRQL-KRWDZBQOSA-N 1 0 343.446 3.723 50 0 EHAARO CCCn1c(C)nc2cc(NC(=O)[C@H](C)C[NH+]3CCCCC3)ccc21 ZINC000952870269 1137482901 /nfs/dbraw/zinc/48/29/01/1137482901.db2.gz ZIZALZVPKCVBLT-OAHLLOKOSA-N 1 0 342.487 3.815 50 0 EHAARO Cc1ccc2[nH]c(CNCc3cc(C[NH+]4CCCC4)cs3)nc2c1 ZINC000952869650 1137483026 /nfs/dbraw/zinc/48/30/26/1137483026.db2.gz KWYPNPGKXBSOEA-UHFFFAOYSA-N 1 0 340.496 3.818 50 0 EHAARO [NH3+]C1(C(=O)Nc2ccc(OCCCc3ccccc3)cc2)CCCC1 ZINC000952972952 1137484111 /nfs/dbraw/zinc/48/41/11/1137484111.db2.gz JMZIWYUGQGRFOD-UHFFFAOYSA-N 1 0 338.451 3.908 50 0 EHAARO CC(C)(C)c1csc(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)n1 ZINC000952975864 1137484592 /nfs/dbraw/zinc/48/45/92/1137484592.db2.gz ZDHOAQRWDJEOSC-UHFFFAOYSA-N 1 0 347.484 3.559 50 0 EHAARO CCc1nc(C)c(C[NH2+]C[C@@H](c2ccccc2)N2CCCCCC2)[nH]1 ZINC000952974462 1137484608 /nfs/dbraw/zinc/48/46/08/1137484608.db2.gz VYIUHDLABLUHBR-FQEVSTJZSA-N 1 0 340.515 3.987 50 0 EHAARO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)CCCc2cccs2)C1 ZINC000109113627 1140135847 /nfs/dbraw/zinc/13/58/47/1140135847.db2.gz AASYLVUYURZFRA-INIZCTEOSA-N 1 0 328.481 3.590 50 0 EHAARO c1ccc(CCOC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000111207718 1140636624 /nfs/dbraw/zinc/63/66/24/1140636624.db2.gz YZFNKTGRAYAVIT-UHFFFAOYSA-N 1 0 337.463 3.845 50 0 EHAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)N1CCCCCC1 ZINC000004744916 210267700 /nfs/dbraw/zinc/26/77/00/210267700.db2.gz BKCYIAHMYRQOMY-KRWDZBQOSA-N 1 0 334.891 3.955 50 0 EHAARO CC[N@H+](CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1 ZINC000004743680 210267085 /nfs/dbraw/zinc/26/70/85/210267085.db2.gz CSVSFHSGBPJYKL-UHFFFAOYSA-N 1 0 342.439 3.555 50 0 EHAARO O=C(NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)o1 ZINC000097694967 219048451 /nfs/dbraw/zinc/04/84/51/219048451.db2.gz PMUXWENOKYXGMX-HNNXBMFYSA-N 1 0 332.831 3.575 50 0 EHAARO COc1ccc([C@@H]([NH2+]Cc2cccc3c2OCCO3)C2CC2)cc1 ZINC000054173172 214221582 /nfs/dbraw/zinc/22/15/82/214221582.db2.gz HZJOHJDBSNAJPL-IBGZPJMESA-N 1 0 325.408 3.707 50 0 EHAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000055053798 214267985 /nfs/dbraw/zinc/26/79/85/214267985.db2.gz KQQUBJWGEFTVKW-UHFFFAOYSA-N 1 0 335.451 3.829 50 0 EHAARO C/C(=C\c1ccco1)C[N@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000055243140 214293477 /nfs/dbraw/zinc/29/34/77/214293477.db2.gz JWPQZXFQGBRHNV-QGOAFFKASA-N 1 0 336.439 3.867 50 0 EHAARO CCC[NH+](CCC)Cc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000055307100 214304178 /nfs/dbraw/zinc/30/41/78/214304178.db2.gz LGALWRXISLGWGX-UHFFFAOYSA-N 1 0 325.456 3.634 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cccc(Cn3cccn3)c2)c1 ZINC000055370078 214312842 /nfs/dbraw/zinc/31/28/42/214312842.db2.gz PKYOEKGRGZAGLR-SFHVURJKSA-N 1 0 334.467 3.698 50 0 EHAARO COc1ccc(/C=C/C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)cc1 ZINC000097759359 219056065 /nfs/dbraw/zinc/05/60/65/219056065.db2.gz FFQWKUYVFMTLCF-KTBYTZPXSA-N 1 0 338.451 3.549 50 0 EHAARO C[C@@H](c1cccc(F)c1)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000056495049 214376456 /nfs/dbraw/zinc/37/64/56/214376456.db2.gz YRCDCWSUYMFXBJ-INIZCTEOSA-N 1 0 332.463 3.857 50 0 EHAARO O=C(NCC[NH2+]C1CCC(c2ccccc2)CC1)c1cccs1 ZINC000004498178 210204647 /nfs/dbraw/zinc/20/46/47/210204647.db2.gz ZZBWAPSFQQHTNP-UHFFFAOYSA-N 1 0 328.481 3.794 50 0 EHAARO COc1cccc(Cn2cccc2C[N@H+](CCC(C)C)C[C@H](C)O)c1 ZINC000004406694 210189729 /nfs/dbraw/zinc/18/97/29/210189729.db2.gz XEXVZQSPDMPXFX-SFHVURJKSA-N 1 0 344.499 3.774 50 0 EHAARO C[NH+](C)CCOc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000004142797 210130578 /nfs/dbraw/zinc/13/05/78/210130578.db2.gz SWFVWROOFHMFAB-UHFFFAOYSA-N 1 0 333.391 3.983 50 0 EHAARO CC[NH+](CC)CCSCCOC(=O)c1oc2ccccc2c1C ZINC000004121542 210125841 /nfs/dbraw/zinc/12/58/41/210125841.db2.gz ZHOUNJWMHBQVBN-UHFFFAOYSA-N 1 0 335.469 3.973 50 0 EHAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000004019139 210102027 /nfs/dbraw/zinc/10/20/27/210102027.db2.gz OTTUUPAQKHWADJ-BRKWEVRTSA-N 1 0 345.527 3.883 50 0 EHAARO COC[C@H](C)[NH2+]Cc1nc(-c2ccc(C)cc2)c(-c2ccccn2)[nH]1 ZINC000067514069 215157038 /nfs/dbraw/zinc/15/70/38/215157038.db2.gz ZYPDNMIWQWRYTE-HNNXBMFYSA-N 1 0 336.439 3.572 50 0 EHAARO Cc1cccc(-c2ncc(-c3nccn3CC[NH+]3CCCCC3)cn2)c1 ZINC000067712950 215190237 /nfs/dbraw/zinc/19/02/37/215190237.db2.gz ATSGCYFFVNFSLE-UHFFFAOYSA-N 1 0 347.466 3.801 50 0 EHAARO Cc1noc(-c2ccc(Oc3ccc(C[NH+]4CCCC4)cc3)nc2)n1 ZINC000067725851 215195556 /nfs/dbraw/zinc/19/55/56/215195556.db2.gz RXXGIECHOWXWFR-UHFFFAOYSA-N 1 0 336.395 3.828 50 0 EHAARO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccc(-c4ccccc4)nn3)c2O1 ZINC000067691618 215186293 /nfs/dbraw/zinc/18/62/93/215186293.db2.gz LJDLITAENUQZKS-OAHLLOKOSA-N 1 0 337.810 3.726 50 0 EHAARO Cc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCC3)cc1 ZINC000002966405 209946523 /nfs/dbraw/zinc/94/65/23/209946523.db2.gz BDCYDSSUIJEUSZ-FQEVSTJZSA-N 1 0 341.862 3.909 50 0 EHAARO CC(C)CO[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000040108133 213267092 /nfs/dbraw/zinc/26/70/92/213267092.db2.gz FHKAAUJLFYETFC-ZWKOTPCHSA-N 1 0 346.515 3.738 50 0 EHAARO CC(C)[C@H](CNC(=O)c1c(F)cccc1Cl)[NH+]1CCC(C)CC1 ZINC000040090763 213262483 /nfs/dbraw/zinc/26/24/83/213262483.db2.gz UJKKKQRTLOEKMX-INIZCTEOSA-N 1 0 340.870 3.965 50 0 EHAARO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000040002628 213248592 /nfs/dbraw/zinc/24/85/92/213248592.db2.gz SXUKTICYBXUYRJ-SJORKVTESA-N 1 0 340.467 3.668 50 0 EHAARO Cc1[nH]c2ccc(C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)cc2c1C ZINC000039563667 213240459 /nfs/dbraw/zinc/24/04/59/213240459.db2.gz LVQQIINYVJPNRC-UHFFFAOYSA-N 1 0 341.499 3.977 50 0 EHAARO Cc1ccc(C)c(-c2cncc(C[NH+]3CCC4(CC3)OCCO4)c2)c1 ZINC000037554178 213157189 /nfs/dbraw/zinc/15/71/89/213157189.db2.gz BHHSGAXBYOKWKT-UHFFFAOYSA-N 1 0 338.451 3.704 50 0 EHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1 ZINC000000484245 209629379 /nfs/dbraw/zinc/62/93/79/209629379.db2.gz JQYNVBKMHQFVBC-IBGZPJMESA-N 1 0 341.430 3.734 50 0 EHAARO Cc1ccccc1C[N@H+](CC(C)C)C[C@@H](O)COCc1ccco1 ZINC000036099822 213065017 /nfs/dbraw/zinc/06/50/17/213065017.db2.gz WZYIZSFGSDYWNA-LJQANCHMSA-N 1 0 331.456 3.624 50 0 EHAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036098337 213065151 /nfs/dbraw/zinc/06/51/51/213065151.db2.gz BWOWODPSOAPLNC-LJQANCHMSA-N 1 0 343.467 3.654 50 0 EHAARO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCC(C)C)o1 ZINC000036097923 213064556 /nfs/dbraw/zinc/06/45/56/213064556.db2.gz LWMIXHYUJFZVIX-IBGZPJMESA-N 1 0 349.446 3.763 50 0 EHAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@H](O)COCc1ccccc1 ZINC000036099195 213064605 /nfs/dbraw/zinc/06/46/05/213064605.db2.gz KHGQBCRYUUCWKT-IBGZPJMESA-N 1 0 333.497 3.784 50 0 EHAARO Cc1ccc(C)c(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)c1 ZINC000036103843 213068705 /nfs/dbraw/zinc/06/87/05/213068705.db2.gz PUVHWGNDLGWBPR-FQEVSTJZSA-N 1 0 327.468 3.954 50 0 EHAARO COc1ccc(C[N@H+](CC(C)C)C[C@@H](O)c2ccccc2)cc1OC ZINC000036095603 213063041 /nfs/dbraw/zinc/06/30/41/213063041.db2.gz QLWKIEZBWANTIJ-LJQANCHMSA-N 1 0 343.467 3.895 50 0 EHAARO COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc3ccccc3s2)CC1 ZINC000188244581 236488786 /nfs/dbraw/zinc/48/87/86/236488786.db2.gz XBRRQDBSBNEWHC-AWEZNQCLSA-N 1 0 346.496 3.579 50 0 EHAARO Fc1cc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc(F)c1F ZINC000071794747 215830519 /nfs/dbraw/zinc/83/05/19/215830519.db2.gz IQOIASALUIPKQV-UHFFFAOYSA-N 1 0 335.373 3.779 50 0 EHAARO Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)cc1 ZINC000072124073 216016356 /nfs/dbraw/zinc/01/63/56/216016356.db2.gz KDMDHUCFWVLSQL-XQASTXFUSA-N 1 0 326.415 3.915 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cc1=O ZINC000072143108 216028605 /nfs/dbraw/zinc/02/86/05/216028605.db2.gz DXVLPYIZZMQKIA-INIZCTEOSA-N 1 0 344.430 3.780 50 0 EHAARO O[C@@H]1Cc2ccccc2C12CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000072145049 216031220 /nfs/dbraw/zinc/03/12/20/216031220.db2.gz MUMZXJLSIQNACJ-OAQYLSRUSA-N 1 0 332.447 3.619 50 0 EHAARO CC[C@H]1CN(Cc2cc(Cl)c(OC)cc2OC)CC[N@@H+]1C(C)C ZINC000072149355 216036572 /nfs/dbraw/zinc/03/65/72/216036572.db2.gz QTZVNEJTGUPMCP-HNNXBMFYSA-N 1 0 340.895 3.662 50 0 EHAARO O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCC[C@H]1c1ccccn1 ZINC000072162248 216050248 /nfs/dbraw/zinc/05/02/48/216050248.db2.gz MGECFUYEDQIOBD-NRFANRHFSA-N 1 0 349.478 3.601 50 0 EHAARO COc1coc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)cc1=O ZINC000072161998 216050780 /nfs/dbraw/zinc/05/07/80/216050780.db2.gz WHXBGWZOCHJDCI-INIZCTEOSA-N 1 0 345.414 3.632 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(C)[C@@H](C)c2ccccc2F)C1 ZINC000072274370 216098671 /nfs/dbraw/zinc/09/86/71/216098671.db2.gz STSGDFRHXOUETM-JKSUJKDBSA-N 1 0 335.467 3.649 50 0 EHAARO O=C(NCc1ccc(Cl)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000029656808 212676577 /nfs/dbraw/zinc/67/65/77/212676577.db2.gz BXPMISIJQUERMD-INIZCTEOSA-N 1 0 347.846 3.569 50 0 EHAARO O=C(c1c[nH]nc1C1CCCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072409956 216200946 /nfs/dbraw/zinc/20/09/46/216200946.db2.gz SFLVOGWYABSPQM-UHFFFAOYSA-N 1 0 344.503 3.548 50 0 EHAARO O=c1cc(C[N@@H+]2CCCC3(C2)CCCCCC3)nc2ccccn12 ZINC000072801107 216308180 /nfs/dbraw/zinc/30/81/80/216308180.db2.gz OSMTWWBMKKOCKL-UHFFFAOYSA-N 1 0 325.456 3.631 50 0 EHAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c(OC)c1 ZINC000025356091 212475684 /nfs/dbraw/zinc/47/56/84/212475684.db2.gz BSODGRRHZBWELH-HNNXBMFYSA-N 1 0 337.423 3.740 50 0 EHAARO [NH3+]CCN[C@H](c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000022917525 212334445 /nfs/dbraw/zinc/33/44/45/212334445.db2.gz TURCTTRGNGELIE-OAHLLOKOSA-N 1 0 328.765 3.997 50 0 EHAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc(OCc2ccccc2)c1 ZINC000022078355 212276497 /nfs/dbraw/zinc/27/64/97/212276497.db2.gz WDSDWHQNSMKURR-AVRDEDQJSA-N 1 0 336.479 3.934 50 0 EHAARO CC[N@H+](C)C1(CNC(=O)c2cc3ccc(Cl)cc3n2C)CCCC1 ZINC000215171492 241112129 /nfs/dbraw/zinc/11/21/29/241112129.db2.gz HWPNFPXDTUCFTE-UHFFFAOYSA-N 1 0 347.890 3.826 50 0 EHAARO COc1cc(C[N@H+](C)Cc2ccc3nonc3c2)cc(Cl)c1OC ZINC000216042264 241160516 /nfs/dbraw/zinc/16/05/16/241160516.db2.gz UNIJBPWNCNACEI-UHFFFAOYSA-N 1 0 347.802 3.525 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000021718117 212242681 /nfs/dbraw/zinc/24/26/81/212242681.db2.gz SEYRNJPLVSJXTK-IAGOWNOFSA-N 1 0 329.488 3.908 50 0 EHAARO O=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229746900 242196711 /nfs/dbraw/zinc/19/67/11/242196711.db2.gz ICYYEJIQJICFTO-OALUTQOASA-N 1 0 343.471 3.756 50 0 EHAARO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000230160865 242241340 /nfs/dbraw/zinc/24/13/40/242241340.db2.gz UFBVATCXSMAFGB-VQIMIIECSA-N 1 0 340.467 3.717 50 0 EHAARO Cc1ccc(C)c(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2cccs2)c1 ZINC000230134441 242236919 /nfs/dbraw/zinc/23/69/19/242236919.db2.gz HQXXJXUBJQJMPH-HZPDHXFCSA-N 1 0 343.496 3.832 50 0 EHAARO CC[NH+]1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccccn2)CC1 ZINC000021486769 212226080 /nfs/dbraw/zinc/22/60/80/212226080.db2.gz HTYVABBUQLNZKB-OAQYLSRUSA-N 1 0 334.467 3.598 50 0 EHAARO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2)C12CCCCC2 ZINC000076021612 216686723 /nfs/dbraw/zinc/68/67/23/216686723.db2.gz YRZGKKFZEUAKAN-OALUTQOASA-N 1 0 333.472 3.921 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)C1 ZINC000237067882 242466553 /nfs/dbraw/zinc/46/65/53/242466553.db2.gz LRRSQJOMDPRLNG-CQSZACIVSA-N 1 0 346.471 3.934 50 0 EHAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000020911411 212186354 /nfs/dbraw/zinc/18/63/54/212186354.db2.gz DATKXJJKVWMEFE-GOSISDBHSA-N 1 0 346.906 3.513 50 0 EHAARO CSc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000241776859 243000747 /nfs/dbraw/zinc/00/07/47/243000747.db2.gz RTEFOPISLSIBHI-GOEBONIOSA-N 1 0 333.501 3.665 50 0 EHAARO COCCn1cncc1C[N@H+](Cc1ccc(C)s1)C1CCCC1 ZINC000244716168 243066514 /nfs/dbraw/zinc/06/65/14/243066514.db2.gz LJRMJXANKZLMKP-UHFFFAOYSA-N 1 0 333.501 3.844 50 0 EHAARO COc1ccc(CN(Cc2ccccn2)C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000244626638 243045630 /nfs/dbraw/zinc/04/56/30/243045630.db2.gz FPODQTMPFUBSGZ-HXUWFJFHSA-N 1 0 339.483 3.577 50 0 EHAARO C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)N2CCc3ccccc3C2)s1 ZINC000020784705 212172397 /nfs/dbraw/zinc/17/23/97/212172397.db2.gz KHCKBYRTWIINSU-MRXNPFEDSA-N 1 0 326.465 3.713 50 0 EHAARO COCCn1cncc1C[N@@H+]1CCCCC[C@H]1c1cccc(F)c1 ZINC000244788066 243083302 /nfs/dbraw/zinc/08/33/02/243083302.db2.gz QIRQORNSSCSXAD-IBGZPJMESA-N 1 0 331.435 3.786 50 0 EHAARO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000020680723 212162151 /nfs/dbraw/zinc/16/21/51/212162151.db2.gz FRRNLFUTBKFMQY-CQSZACIVSA-N 1 0 346.858 3.948 50 0 EHAARO CC[NH+](CC)CCN1CCn2c3ccc(C)cc3c3c2[C@@H]1CCC3 ZINC000020608602 212153715 /nfs/dbraw/zinc/15/37/15/212153715.db2.gz DLIMQMFEKLIBNI-FQEVSTJZSA-N 1 0 325.500 3.985 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)c(F)c1)[NH2+]CC2 ZINC000020506877 212141516 /nfs/dbraw/zinc/14/15/16/212141516.db2.gz BDXKQRAPKDTURW-IBGZPJMESA-N 1 0 333.378 3.997 50 0 EHAARO C[C@@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000252490722 243795416 /nfs/dbraw/zinc/79/54/16/243795416.db2.gz KZQPGAWBYCKPMV-UONOGXRCSA-N 1 0 348.491 3.821 50 0 EHAARO Clc1ccc(-n2cc(CN3CCC[C@H]([NH+]4CCCC4)C3)cn2)cc1 ZINC000019836468 212074216 /nfs/dbraw/zinc/07/42/16/212074216.db2.gz OJFPIJHFRKHJGI-IBGZPJMESA-N 1 0 344.890 3.586 50 0 EHAARO Clc1cccc2c1Sc1ccccc1C[C@H]2N1CC[NH2+]CC1 ZINC000019802440 212070342 /nfs/dbraw/zinc/07/03/42/212070342.db2.gz DCZIXOHFCAHNKD-MRXNPFEDSA-N 1 0 330.884 3.994 50 0 EHAARO Clc1ccccc1-n1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000019792393 212067964 /nfs/dbraw/zinc/06/79/64/212067964.db2.gz SIPCCBYWIGGODP-QGZVFWFLSA-N 1 0 344.890 3.586 50 0 EHAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019640468 212053475 /nfs/dbraw/zinc/05/34/75/212053475.db2.gz RVBZZMFBENCQFY-UHFFFAOYSA-N 1 0 346.478 3.703 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccco2)CC1 ZINC000078403393 217048710 /nfs/dbraw/zinc/04/87/10/217048710.db2.gz ZWFXEQDBRBJRSB-CVEARBPZSA-N 1 0 339.439 3.528 50 0 EHAARO Cc1nc(C)c(C[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)s1 ZINC000079051396 217183484 /nfs/dbraw/zinc/18/34/84/217183484.db2.gz KTRSFUIGVWTCHG-KRWDZBQOSA-N 1 0 339.505 3.543 50 0 EHAARO Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000081082068 217359745 /nfs/dbraw/zinc/35/97/45/217359745.db2.gz XFZKODZWJSUYGI-MSOLQXFVSA-N 1 0 345.487 3.620 50 0 EHAARO C[n+]1ccc(C/N=c2\scc(-c3ccccc3)n2C(C)(C)C)cc1 ZINC000013400922 211554190 /nfs/dbraw/zinc/55/41/90/211554190.db2.gz QGBCYGZFIOVJKW-VZCXRCSSSA-N 1 0 338.500 3.897 50 0 EHAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000012748656 211444254 /nfs/dbraw/zinc/44/42/54/211444254.db2.gz ZXGUTFATXHNEBZ-UHFFFAOYSA-N 1 0 344.458 3.930 50 0 EHAARO CSCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012457540 211388120 /nfs/dbraw/zinc/38/81/20/211388120.db2.gz SLDGDGCSRGQPFI-LJQANCHMSA-N 1 0 348.556 3.719 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 ZINC000012348591 211354039 /nfs/dbraw/zinc/35/40/39/211354039.db2.gz YTYHTFYEFFWFPV-CQSZACIVSA-N 1 0 326.824 3.573 50 0 EHAARO C/C=C/c1ccc(OCCOCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000012343384 211353000 /nfs/dbraw/zinc/35/30/00/211353000.db2.gz PSZQFQZIRFGAGL-SNAWJCMRSA-N 1 0 333.472 3.856 50 0 EHAARO CC(C)C[N@@H+]1CCOc2ccc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000012281036 211333837 /nfs/dbraw/zinc/33/38/37/211333837.db2.gz BLVKSVLIYHMKOL-FQEVSTJZSA-N 1 0 325.452 3.813 50 0 EHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([N@H+](C)CC(C)C)C3 ZINC000012212169 211322998 /nfs/dbraw/zinc/32/29/98/211322998.db2.gz GBLBZCZYFMWXBA-AWEZNQCLSA-N 1 0 347.528 3.703 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012075952 211286469 /nfs/dbraw/zinc/28/64/69/211286469.db2.gz YDPDDZJIPFINDI-AWEZNQCLSA-N 1 0 348.878 3.554 50 0 EHAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1CCc1ccccc1F ZINC000012036974 211281247 /nfs/dbraw/zinc/28/12/47/211281247.db2.gz BOUUIBAYGADOBG-LJQANCHMSA-N 1 0 340.442 3.539 50 0 EHAARO Cc1ccccc1-c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)cc1 ZINC000091493811 218014495 /nfs/dbraw/zinc/01/44/95/218014495.db2.gz NJOHJDPVEMKIBN-YLJYHZDGSA-N 1 0 334.463 3.828 50 0 EHAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1C1CCC1 ZINC000011874242 211262405 /nfs/dbraw/zinc/26/24/05/211262405.db2.gz KZBHQSFMFWWKRX-SFHVURJKSA-N 1 0 337.423 3.829 50 0 EHAARO Clc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)s1 ZINC000091933726 218091045 /nfs/dbraw/zinc/09/10/45/218091045.db2.gz UHIMYYUZFQYTIP-GOEBONIOSA-N 1 0 347.915 3.893 50 0 EHAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(F)cc1)C2 ZINC000092027984 218106188 /nfs/dbraw/zinc/10/61/88/218106188.db2.gz SLKOXMAMKBEQEF-CRAIPNDOSA-N 1 0 331.435 3.720 50 0 EHAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CC(C)(C)C)C3)cc1 ZINC000092046787 218110412 /nfs/dbraw/zinc/11/04/12/218110412.db2.gz VECSXBYDHNZOKW-ZWKOTPCHSA-N 1 0 344.499 3.554 50 0 EHAARO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(F)cn1 ZINC000092753240 218164263 /nfs/dbraw/zinc/16/42/63/218164263.db2.gz VRBVZPNEGDMLJU-OHRKKDJYSA-N 1 0 349.450 3.802 50 0 EHAARO Cc1ccccc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095353701 218287245 /nfs/dbraw/zinc/28/72/45/218287245.db2.gz DIODYYJASLHEDT-NRFANRHFSA-N 1 0 348.490 3.976 50 0 EHAARO O=C(CCC[NH+]1CCCCC1)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000095371260 218303668 /nfs/dbraw/zinc/30/36/68/218303668.db2.gz VIGGJDUYKUHHGQ-UHFFFAOYSA-N 1 0 333.863 3.704 50 0 EHAARO COCCC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000095370856 218304559 /nfs/dbraw/zinc/30/45/59/218304559.db2.gz BIKFWCSLXPOSKM-FQEVSTJZSA-N 1 0 344.499 3.704 50 0 EHAARO C[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000095391059 218322958 /nfs/dbraw/zinc/32/29/58/218322958.db2.gz CDNMXHHAYCVCBN-HNNXBMFYSA-N 1 0 344.430 3.824 50 0 EHAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000095404807 218340467 /nfs/dbraw/zinc/34/04/67/218340467.db2.gz VDJAQVGANJUISD-ZYHUDNBSSA-N 1 0 328.243 3.694 50 0 EHAARO Cc1csc(CCC[NH2+][C@@H](C)CC(=O)Nc2ccc(F)cc2)n1 ZINC000095421637 218362852 /nfs/dbraw/zinc/36/28/52/218362852.db2.gz NKLCBZGCXOORRH-LBPRGKRZSA-N 1 0 335.448 3.530 50 0 EHAARO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(N2CCCC2=O)cc1 ZINC000095421937 218364009 /nfs/dbraw/zinc/36/40/09/218364009.db2.gz HYPUWYBJRLNLQK-LIRRHRJNSA-N 1 0 336.435 3.857 50 0 EHAARO CCSC1(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CCOCC1 ZINC000095423064 218364986 /nfs/dbraw/zinc/36/49/86/218364986.db2.gz CBKYQXUJDOZEDO-AWEZNQCLSA-N 1 0 336.501 3.598 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)NCc1ccccc1Cl ZINC000095431550 218373602 /nfs/dbraw/zinc/37/36/02/218373602.db2.gz FXXSEOZJSSTRGM-KRWDZBQOSA-N 1 0 331.847 3.512 50 0 EHAARO FC(F)(F)c1csc([C@H]2CCC[N@H+](CCc3ccncc3)C2)n1 ZINC000095432360 218375074 /nfs/dbraw/zinc/37/50/74/218375074.db2.gz RHAAAVBYCSUNAV-ZDUSSCGKSA-N 1 0 341.402 3.979 50 0 EHAARO C[C@]1(c2ccccc2)CCC[N@H+](Cc2nnc(-c3cccnc3)o2)C1 ZINC000095522109 218426951 /nfs/dbraw/zinc/42/69/51/218426951.db2.gz OHPHRKNKFWZYPA-FQEVSTJZSA-N 1 0 334.423 3.685 50 0 EHAARO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000095967602 218472361 /nfs/dbraw/zinc/47/23/61/218472361.db2.gz YZAPXPCJTMCEPI-FNBIGBAISA-N 1 0 346.368 3.942 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000007447765 210802851 /nfs/dbraw/zinc/80/28/51/210802851.db2.gz NZGIJTASVRDBSB-UHFFFAOYSA-N 1 0 344.405 3.881 50 0 EHAARO C[C@H](C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000005045775 210373375 /nfs/dbraw/zinc/37/33/75/210373375.db2.gz POCKRBZBJVJKGH-QZTJIDSGSA-N 1 0 328.500 3.761 50 0 EHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1C ZINC000005019362 210364373 /nfs/dbraw/zinc/36/43/73/210364373.db2.gz OJUANOLFTSFWMX-LJQANCHMSA-N 1 0 341.451 3.851 50 0 EHAARO Cc1ccc2nc(Cl)c3cc(C(=O)NCC[NH+](C)C)sc3c2c1 ZINC000004961550 210341005 /nfs/dbraw/zinc/34/10/05/210341005.db2.gz RFDOBKBXAXYVHC-UHFFFAOYSA-N 1 0 347.871 3.703 50 0 EHAARO COc1cccc([C@@H](C[NH2+]Cc2cc(F)ccc2F)N2CCCC2)c1 ZINC000097465483 219026664 /nfs/dbraw/zinc/02/66/64/219026664.db2.gz PIBJPRRDTTXZPP-HXUWFJFHSA-N 1 0 346.421 3.900 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2cc(F)cc(F)c2Cl)C1 ZINC000097604135 219040382 /nfs/dbraw/zinc/04/03/82/219040382.db2.gz PKJMATZGPLZDMP-SNVBAGLBSA-N 1 0 343.805 3.709 50 0 EHAARO Fc1cccc(-c2nc3c([nH]2)C[N@H+](CCCc2cccnc2)CC3)c1 ZINC000097594765 219037058 /nfs/dbraw/zinc/03/70/58/219037058.db2.gz IQUIFMAZWVBSQR-UHFFFAOYSA-N 1 0 336.414 3.602 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000012534244 258054703 /nfs/dbraw/zinc/05/47/03/258054703.db2.gz LTAUEPAYXJXLGI-UHFFFAOYSA-N 1 0 342.418 3.612 50 0 EHAARO Cc1ccc(C[N@@H+]2CCCN(c3ncnc4ccsc43)CC2)cc1 ZINC000012879724 258055560 /nfs/dbraw/zinc/05/55/60/258055560.db2.gz VQCTWIVJFQRXCA-UHFFFAOYSA-N 1 0 338.480 3.712 50 0 EHAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215959377 258072212 /nfs/dbraw/zinc/07/22/12/258072212.db2.gz WSRCMTAQULXGHL-OAHLLOKOSA-N 1 0 344.480 3.697 50 0 EHAARO CCNC(=O)[C@H]1CC[N@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215959421 258072410 /nfs/dbraw/zinc/07/24/10/258072410.db2.gz WSRCMTAQULXGHL-HNNXBMFYSA-N 1 0 344.480 3.697 50 0 EHAARO c1ccc([C@@H]2C[C@H](c3noc(C4CCOCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299759478 258076980 /nfs/dbraw/zinc/07/69/80/258076980.db2.gz SIHKASCXPPHCOJ-KSZLIROESA-N 1 0 339.439 3.657 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000269119214 522044698 /nfs/dbraw/zinc/04/46/98/522044698.db2.gz XJSBMVQSRJQSAQ-UBHSHLNASA-N 1 0 341.282 3.555 50 0 EHAARO CC[C@H](C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1 ZINC000225568525 523772615 /nfs/dbraw/zinc/77/26/15/523772615.db2.gz BORDIPNKKXNLIZ-OALUTQOASA-N 1 0 346.540 3.514 50 0 EHAARO COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000216547401 536876890 /nfs/dbraw/zinc/87/68/90/536876890.db2.gz YPFHMCSJJWSNGB-IBGZPJMESA-N 1 0 341.451 3.621 50 0 EHAARO CCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000000540241 563343828 /nfs/dbraw/zinc/34/38/28/563343828.db2.gz QGGNEDNGBGUYNC-SFTDATJTSA-N 1 0 325.452 3.998 50 0 EHAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000001064160 563372485 /nfs/dbraw/zinc/37/24/85/563372485.db2.gz ZOXCBTXMYKDVLJ-UHFFFAOYSA-N 1 0 349.438 3.813 50 0 EHAARO COc1ccc([C@](C)(O)[C@@H](c2ccccc2)[C@@H]2CCCC[NH2+]2)cc1 ZINC000001668795 563401427 /nfs/dbraw/zinc/40/14/27/563401427.db2.gz HGOAFHCXOPDXNZ-ACRUOGEOSA-N 1 0 325.452 3.829 50 0 EHAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034682615 563450466 /nfs/dbraw/zinc/45/04/66/563450466.db2.gz MVWCEMZBFFPNQP-UHFFFAOYSA-N 1 0 341.430 3.628 50 0 EHAARO Brc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)cc1 ZINC000007524902 563604783 /nfs/dbraw/zinc/60/47/83/563604783.db2.gz MHLOCMXDPZKWBC-AWEZNQCLSA-N 1 0 336.229 3.978 50 0 EHAARO O[C@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2 ZINC000002966418 563624288 /nfs/dbraw/zinc/62/42/88/563624288.db2.gz QAYUNTRZCAAPDI-IBGZPJMESA-N 1 0 327.835 3.600 50 0 EHAARO CC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000071922167 563628208 /nfs/dbraw/zinc/62/82/08/563628208.db2.gz XZLADUYQMBPGKO-CYBMUJFWSA-N 1 0 337.895 3.620 50 0 EHAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000012588286 563664266 /nfs/dbraw/zinc/66/42/66/563664266.db2.gz GWESYNIWBKCHQE-OAHLLOKOSA-N 1 0 335.835 3.781 50 0 EHAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)C1CCCC1 ZINC000012714221 563668690 /nfs/dbraw/zinc/66/86/90/563668690.db2.gz GIDMTDKNOVGBIH-UHFFFAOYSA-N 1 0 346.490 3.729 50 0 EHAARO COc1ccc(C[N@H+](C)CCC(=O)N[C@@H](C)c2ccccc2)cc1F ZINC000012788515 563670752 /nfs/dbraw/zinc/67/07/52/563670752.db2.gz HXAOCHGBXDUXEA-HNNXBMFYSA-N 1 0 344.430 3.534 50 0 EHAARO Cc1ccc2c(C[N@H+](C)CCOc3ccccc3C)cc(=O)oc2c1 ZINC000012802857 563674131 /nfs/dbraw/zinc/67/41/31/563674131.db2.gz ZGYCTUZUHJAYGR-UHFFFAOYSA-N 1 0 337.419 3.921 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000012997255 563683791 /nfs/dbraw/zinc/68/37/91/563683791.db2.gz NTSMQPCQMKQIIL-JXFKEZNVSA-N 1 0 338.451 3.710 50 0 EHAARO O=C(Nc1ccccc1F)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000032779524 563732823 /nfs/dbraw/zinc/73/28/23/563732823.db2.gz RHBUMLNJABWHAS-SFHVURJKSA-N 1 0 327.403 3.784 50 0 EHAARO CCc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000014232307 563753208 /nfs/dbraw/zinc/75/32/08/563753208.db2.gz GKYQTNSDGWDXLJ-AWEZNQCLSA-N 1 0 342.439 3.556 50 0 EHAARO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1F ZINC000014957479 563768163 /nfs/dbraw/zinc/76/81/63/563768163.db2.gz QFXPHZXTYVFOSN-INIZCTEOSA-N 1 0 348.462 3.751 50 0 EHAARO Cc1c(C[NH2+][C@H]2CCCc3c2cnn3-c2cccc(C)c2C)cnn1C ZINC000014958027 563768168 /nfs/dbraw/zinc/76/81/68/563768168.db2.gz PPRHRSNASQTALY-IBGZPJMESA-N 1 0 349.482 3.698 50 0 EHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CC(C)C ZINC000014977057 563769628 /nfs/dbraw/zinc/76/96/28/563769628.db2.gz YBXULXROXJVQHO-IBGZPJMESA-N 1 0 348.506 3.975 50 0 EHAARO CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1F)Cc1ccncc1 ZINC000015961650 563800821 /nfs/dbraw/zinc/80/08/21/563800821.db2.gz BZZNOGCLIWTOPD-UHFFFAOYSA-N 1 0 340.402 3.642 50 0 EHAARO Cc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000016342705 563808882 /nfs/dbraw/zinc/80/88/82/563808882.db2.gz SVYSFDMURCXIKK-NRFANRHFSA-N 1 0 336.479 3.963 50 0 EHAARO Cc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016606588 563817340 /nfs/dbraw/zinc/81/73/40/563817340.db2.gz SHQWKPZJRSXEHB-UHFFFAOYSA-N 1 0 326.415 3.985 50 0 EHAARO CC(C)(C)c1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc(C(C)(C)C)c1O ZINC000016663011 563819805 /nfs/dbraw/zinc/81/98/05/563819805.db2.gz XLZSSFDIZGUVAB-OAHLLOKOSA-N 1 0 346.515 3.685 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000025356771 563883762 /nfs/dbraw/zinc/88/37/62/563883762.db2.gz SPEJQHSGHCNFPQ-QGZVFWFLSA-N 1 0 343.434 3.909 50 0 EHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccccc1F ZINC000027580635 563896866 /nfs/dbraw/zinc/89/68/66/563896866.db2.gz YACMDFJWOYUZKV-MRXNPFEDSA-N 1 0 332.444 3.844 50 0 EHAARO CC(C)[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1cccs1 ZINC000029200799 563905266 /nfs/dbraw/zinc/90/52/66/563905266.db2.gz DGVZJFYPKPWDNZ-QGZVFWFLSA-N 1 0 347.871 3.896 50 0 EHAARO C[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CCc2ccccc21 ZINC000029483836 563906773 /nfs/dbraw/zinc/90/67/73/563906773.db2.gz OVFATNOPUHOJJZ-KRWDZBQOSA-N 1 0 346.377 3.846 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2Cl)C1 ZINC000072305280 563914696 /nfs/dbraw/zinc/91/46/96/563914696.db2.gz VEAPHQILEOGZKU-LBPRGKRZSA-N 1 0 345.712 3.876 50 0 EHAARO COc1ccc2c(c1)Sc1ccccc1C[C@@H]2[NH+]1CCN(C)CC1 ZINC000033755601 563916439 /nfs/dbraw/zinc/91/64/39/563916439.db2.gz SSAVPTLEYGLACB-SFHVURJKSA-N 1 0 340.492 3.691 50 0 EHAARO NC(=O)C1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000033040230 563933148 /nfs/dbraw/zinc/93/31/48/563933148.db2.gz QVAUUPOXSRSNGB-GOSISDBHSA-N 1 0 328.843 3.627 50 0 EHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)c2ccccc2)cc1 ZINC000058024361 563936872 /nfs/dbraw/zinc/93/68/72/563936872.db2.gz RCEUSDLWYIBEQL-FQEVSTJZSA-N 1 0 338.451 3.885 50 0 EHAARO Cc1ccc(C[N@H+](Cc2cc(=O)n3ccsc3n2)C(C)C)s1 ZINC000058158917 563938186 /nfs/dbraw/zinc/93/81/86/563938186.db2.gz CBMHXQXIKBELHW-UHFFFAOYSA-N 1 0 333.482 3.537 50 0 EHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C1CCC1 ZINC000058175392 563939059 /nfs/dbraw/zinc/93/90/59/563939059.db2.gz AZCKAPIYHNSEQV-UHFFFAOYSA-N 1 0 349.478 3.747 50 0 EHAARO O=C(CCc1ccccc1)NC1CC[NH+](CCc2cccs2)CC1 ZINC000058192958 563939456 /nfs/dbraw/zinc/93/94/56/563939456.db2.gz QXMOSNWBQHDWMU-UHFFFAOYSA-N 1 0 342.508 3.504 50 0 EHAARO C[C@@H](CC(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000096423683 563951922 /nfs/dbraw/zinc/95/19/22/563951922.db2.gz VZRALODKNYMSAW-KBPBESRZSA-N 1 0 342.405 3.609 50 0 EHAARO C[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)Cc1cccs1 ZINC000096478486 563955150 /nfs/dbraw/zinc/95/51/50/563955150.db2.gz ACORLNWPTVIWOC-KBPBESRZSA-N 1 0 337.510 3.681 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H]1CCOC1 ZINC000096496287 563955885 /nfs/dbraw/zinc/95/58/85/563955885.db2.gz GUOJJGJMDJPFOF-AAEUAGOBSA-N 1 0 335.245 3.512 50 0 EHAARO CCN(Cc1c(F)cccc1Cl)c1cc([C@H]2CCC[NH2+]C2)ncn1 ZINC000067642492 563962401 /nfs/dbraw/zinc/96/24/01/563962401.db2.gz KFDXTLNXHGQNCB-ZDUSSCGKSA-N 1 0 348.853 3.763 50 0 EHAARO CC[NH+]1CCN(Cc2nc(-c3ccc(SC)cc3)oc2C)CC1 ZINC000071614271 563964647 /nfs/dbraw/zinc/96/46/47/563964647.db2.gz IJDHNDCQPBEKMB-UHFFFAOYSA-N 1 0 331.485 3.509 50 0 EHAARO Cc1cc(C)nc(Cn2ccnc2-c2cccc([C@@H](C)[NH+](C)C)c2)n1 ZINC000071735942 563964907 /nfs/dbraw/zinc/96/49/07/563964907.db2.gz XXZKCLHPGYXHNP-MRXNPFEDSA-N 1 0 335.455 3.628 50 0 EHAARO c1cn(CC2CCOCC2)c(-c2cc(C[NH+]3CCCC3)cs2)n1 ZINC000071753426 563965222 /nfs/dbraw/zinc/96/52/22/563965222.db2.gz IKPPUCOUABLBPX-UHFFFAOYSA-N 1 0 331.485 3.634 50 0 EHAARO CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1cc(C)ccc1-n1cccn1 ZINC000071762803 563965428 /nfs/dbraw/zinc/96/54/28/563965428.db2.gz JHGUYYCXDBOYJH-FQEVSTJZSA-N 1 0 335.455 3.651 50 0 EHAARO COc1ccc(F)c(F)c1CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077405983 563969442 /nfs/dbraw/zinc/96/94/42/563969442.db2.gz QJDPDKANTVENGD-HNNXBMFYSA-N 1 0 338.442 3.671 50 0 EHAARO COc1ccc(CN2CCC(C[NH+]3CCCCC3)CC2)c(F)c1F ZINC000077456017 563969754 /nfs/dbraw/zinc/96/97/54/563969754.db2.gz KCQZVNPMWMNWLF-UHFFFAOYSA-N 1 0 338.442 3.671 50 0 EHAARO COCCC[C@H]1CCC[N@H+](Cc2cnn(-c3cccc(C)c3)c2)C1 ZINC000077488693 563969951 /nfs/dbraw/zinc/96/99/51/563969951.db2.gz CVHRZRGYQDJBCF-GOSISDBHSA-N 1 0 327.472 3.819 50 0 EHAARO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(c4cn[nH]c4)CC3)o2)c1 ZINC000097203300 563970454 /nfs/dbraw/zinc/97/04/54/563970454.db2.gz PAOAEDZSISFLKM-CQSZACIVSA-N 1 0 337.427 3.709 50 0 EHAARO COCc1cccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000097231447 563970750 /nfs/dbraw/zinc/97/07/50/563970750.db2.gz HTYUYRRLJDWJRK-JXFKEZNVSA-N 1 0 325.456 3.551 50 0 EHAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(C)o1 ZINC000006173219 563976388 /nfs/dbraw/zinc/97/63/88/563976388.db2.gz QAWBKSWJASOXGS-UHFFFAOYSA-N 1 0 326.444 3.892 50 0 EHAARO Cc1ccc2[nH+]ccc(N3CCN(Cc4cccc(F)c4)C(=O)C3)c2c1 ZINC000095526889 563977489 /nfs/dbraw/zinc/97/74/89/563977489.db2.gz JFHXLBLLUIVWDE-UHFFFAOYSA-N 1 0 349.409 3.531 50 0 EHAARO O=C(C[C@H](c1ccccc1)c1ccccc1Cl)N1CCC[NH2+]CC1 ZINC000095526750 563977518 /nfs/dbraw/zinc/97/75/18/563977518.db2.gz VKIOWVPCWNGNGP-GOSISDBHSA-N 1 0 342.870 3.684 50 0 EHAARO C[NH+](C)CCN1c2ccc(C(F)(F)F)cc2Nc2ccccc2C1=O ZINC000095918042 563977757 /nfs/dbraw/zinc/97/77/57/563977757.db2.gz UFIBOSDNLWAAPL-UHFFFAOYSA-N 1 0 349.356 3.971 50 0 EHAARO COc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(OC)c1OC ZINC000000169422 563987529 /nfs/dbraw/zinc/98/75/29/563987529.db2.gz MYNIKCMGSZIZQP-KRWDZBQOSA-N 1 0 327.424 3.880 50 0 EHAARO C[C@H](C(=O)N1CCC(OC2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000408513557 563992728 /nfs/dbraw/zinc/99/27/28/563992728.db2.gz GPWSWKHNXRSPFY-OXJNMPFZSA-N 1 0 344.499 3.663 50 0 EHAARO Cc1ccc([C@H]2CCCCCN2C(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000155791132 564008359 /nfs/dbraw/zinc/00/83/59/564008359.db2.gz GLJHJUWHZAGSJD-GOSISDBHSA-N 1 0 345.487 3.842 50 0 EHAARO COc1ccccc1NC(=O)O[C@H]1CCN2Cc3ccccc3N=C12 ZINC000000485791 564016996 /nfs/dbraw/zinc/01/69/96/564016996.db2.gz DPIBURXPGDTABM-KRWDZBQOSA-N 1 0 337.379 3.562 50 0 biogenic EHAARO Cc1sc(-n2cccc2)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000047257475 564026012 /nfs/dbraw/zinc/02/60/12/564026012.db2.gz WHNHIJAKTVYMAQ-JKSUJKDBSA-N 1 0 343.496 3.512 50 0 EHAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000106654634 564026553 /nfs/dbraw/zinc/02/65/53/564026553.db2.gz MCTJOVGINRSMSP-GDBMZVCRSA-N 1 0 342.405 3.569 50 0 EHAARO Cc1[nH]ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000108145663 564027884 /nfs/dbraw/zinc/02/78/84/564027884.db2.gz IABCQJMIUGTWTH-DYVFJYSZSA-N 1 0 349.837 3.538 50 0 EHAARO C[C@H](CCc1cccn1C)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000108357959 564028141 /nfs/dbraw/zinc/02/81/41/564028141.db2.gz MQPAAUFQRLSRCG-GGPKGHCWSA-N 1 0 325.500 3.771 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000048368108 564031610 /nfs/dbraw/zinc/03/16/10/564031610.db2.gz ZLCRWOWGHPYBHI-STQMWFEESA-N 1 0 326.843 3.577 50 0 EHAARO Cc1cc([C@@H]2CCCN2Cc2nnc(-c3cccc(F)c3)o2)on1 ZINC000075640497 564031987 /nfs/dbraw/zinc/03/19/87/564031987.db2.gz IYGMRPJVPDZTBJ-AWEZNQCLSA-N 1 0 328.347 3.509 50 0 EHAARO O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000075553254 564031999 /nfs/dbraw/zinc/03/19/99/564031999.db2.gz AQNDCASSDOSHLO-AWEZNQCLSA-N 1 0 338.436 3.553 50 0 EHAARO COc1cc([C@H](C)[NH2+]Cc2ccccn2)ccc1OCc1ccncc1 ZINC000048746821 564032170 /nfs/dbraw/zinc/03/21/70/564032170.db2.gz MLJTYRKBJOOWBN-INIZCTEOSA-N 1 0 349.434 3.915 50 0 EHAARO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048747368 564032199 /nfs/dbraw/zinc/03/21/99/564032199.db2.gz KADMAZRCNPJGOQ-OAHLLOKOSA-N 1 0 336.439 3.982 50 0 EHAARO COc1ccc([C@H](O)[C@H](C)[NH2+]C[C@@H](C)CCc2ccccc2)cc1 ZINC000222159209 564036761 /nfs/dbraw/zinc/03/67/61/564036761.db2.gz IGRHVBKHDHJSGM-XGHQBKJUSA-N 1 0 327.468 3.976 50 0 EHAARO CC(C)C(=O)N1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000030671233 564049933 /nfs/dbraw/zinc/04/99/33/564049933.db2.gz HXGNIJHBELOMGY-UHFFFAOYSA-N 1 0 344.430 3.822 50 0 EHAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3c[nH]nc3C3CCCCC3)[C@H]2C1 ZINC000299763583 564060732 /nfs/dbraw/zinc/06/07/32/564060732.db2.gz YCKIFMQSRAUIEP-CMKODMSKSA-N 1 0 347.503 3.616 50 0 EHAARO C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(-c3ccccc3)cc2)C1 ZINC000534638693 564061374 /nfs/dbraw/zinc/06/13/74/564061374.db2.gz MODSXUONGMQIMA-FQEVSTJZSA-N 1 0 337.467 3.589 50 0 EHAARO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000083174483 564061735 /nfs/dbraw/zinc/06/17/35/564061735.db2.gz JNSKQDJITIPQKE-GDBMZVCRSA-N 1 0 341.430 3.615 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000045462528 564062428 /nfs/dbraw/zinc/06/24/28/564062428.db2.gz OUMPSOVOFIYUAF-UHFFFAOYSA-N 1 0 341.499 3.606 50 0 EHAARO Cc1ccc2nc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)cn2c1 ZINC000084075324 564066150 /nfs/dbraw/zinc/06/61/50/564066150.db2.gz PTOJOXVPHFMJQS-UHFFFAOYSA-N 1 0 339.414 3.577 50 0 EHAARO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1C ZINC000084075117 564066157 /nfs/dbraw/zinc/06/61/57/564066157.db2.gz AIEDISYFGYKFLD-GOSISDBHSA-N 1 0 339.483 3.928 50 0 EHAARO C[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)C[NH+]1CCCC1 ZINC000084640109 564069292 /nfs/dbraw/zinc/06/92/92/564069292.db2.gz MAJBDWLNRRIKML-GFCCVEGCSA-N 1 0 338.377 3.792 50 0 EHAARO CC[C@H]([NH2+]C[C@H]1CCO[C@@H]1c1cnn(CC)c1)c1ccc(F)cc1F ZINC000084734147 564069876 /nfs/dbraw/zinc/06/98/76/564069876.db2.gz SYMHHTHZAYNWNH-VMDGZTHMSA-N 1 0 349.425 4.000 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000012819132 564073266 /nfs/dbraw/zinc/07/32/66/564073266.db2.gz WILRQUDULGQIMG-GJZGRUSLSA-N 1 0 344.455 3.645 50 0 EHAARO CN1CCc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2C1 ZINC000015880103 564077328 /nfs/dbraw/zinc/07/73/28/564077328.db2.gz GRQJGDRGZCIATO-UHFFFAOYSA-N 1 0 348.280 3.752 50 0 EHAARO Cc1cc2occ(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2cc1C ZINC000012927677 564078600 /nfs/dbraw/zinc/07/86/00/564078600.db2.gz PLDDWMTYTYHLCY-KRWDZBQOSA-N 1 0 342.483 3.973 50 0 EHAARO Fc1ccc(F)c(C[NH2+]CCNc2ccc(C(F)(F)F)cn2)c1 ZINC000075109613 564080247 /nfs/dbraw/zinc/08/02/47/564080247.db2.gz HVQAKGRBAJIGKN-UHFFFAOYSA-N 1 0 331.288 3.580 50 0 EHAARO Cc1c([C@H](C)NCc2nc(C3CC3)cs2)cnn1-c1ccccn1 ZINC000090460800 564084453 /nfs/dbraw/zinc/08/44/53/564084453.db2.gz PLOIGHWWWQREPV-LBPRGKRZSA-N 1 0 339.468 3.760 50 0 EHAARO Cc1sc2cc(C(=O)NC3CCCC3)[nH]c2c1C[NH+]1CCCC1 ZINC000075487350 564086694 /nfs/dbraw/zinc/08/66/94/564086694.db2.gz QDFHLHXWPVCZLQ-UHFFFAOYSA-N 1 0 331.485 3.806 50 0 EHAARO CCCOc1ccccc1C[N@@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000426429851 564093705 /nfs/dbraw/zinc/09/37/05/564093705.db2.gz SGZKYSCDLVDIJP-YSIASYRMSA-N 1 0 333.472 3.634 50 0 EHAARO C[C@H](c1ccc(-c2nc(N3CCCCC3)n(C)n2)cc1)[NH+]1CCCC1 ZINC000426593813 564094205 /nfs/dbraw/zinc/09/42/05/564094205.db2.gz PYWWLFPYHKNGPL-MRXNPFEDSA-N 1 0 339.487 3.629 50 0 EHAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000006877191 564100365 /nfs/dbraw/zinc/10/03/65/564100365.db2.gz CPNBCJVDLZRHLD-UHFFFAOYSA-N 1 0 329.488 3.971 50 0 EHAARO CCC(C)(C)NC(=O)CN(C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000065491567 564106456 /nfs/dbraw/zinc/10/64/56/564106456.db2.gz JGDAYYXHIOOXHJ-IBGZPJMESA-N 1 0 343.446 3.547 50 0 EHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1F ZINC000007448542 564108618 /nfs/dbraw/zinc/10/86/18/564108618.db2.gz JGEICWRGMZKUII-UHFFFAOYSA-N 1 0 326.415 3.742 50 0 EHAARO C[C@@H](c1cnccn1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000170596946 564109105 /nfs/dbraw/zinc/10/91/05/564109105.db2.gz BYWUENMUIZDAGA-KRWDZBQOSA-N 1 0 332.451 3.509 50 0 EHAARO C[C@@H](NC(=O)CCc1cc(F)ccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000170597977 564109157 /nfs/dbraw/zinc/10/91/57/564109157.db2.gz XSYMRUPHKAAUKN-VLIAUNLRSA-N 1 0 346.421 3.705 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2cccc(F)c2)CC1 ZINC000071186065 564110742 /nfs/dbraw/zinc/11/07/42/564110742.db2.gz CIBBZVJJYJCMDB-UHFFFAOYSA-N 1 0 341.430 3.513 50 0 EHAARO Cc1nc(C)c(C[NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)s1 ZINC000089623616 564112744 /nfs/dbraw/zinc/11/27/44/564112744.db2.gz HRUIDCJBJJPGPH-MRXNPFEDSA-N 1 0 332.469 3.526 50 0 EHAARO Cc1csc(CNc2cc(C[NH+]3CCSCC3)ccc2C)n1 ZINC000089646939 564112880 /nfs/dbraw/zinc/11/28/80/564112880.db2.gz JBVKXESGGRILPF-UHFFFAOYSA-N 1 0 333.526 3.921 50 0 EHAARO Cc1csc(CNc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)n1 ZINC000089705638 564113228 /nfs/dbraw/zinc/11/32/28/564113228.db2.gz LDWHLPISLFWEJQ-GJZGRUSLSA-N 1 0 331.485 3.673 50 0 EHAARO FC(F)(F)c1cccc([C@H]2CN(CCC[NH+]3CCCC3)CCO2)c1 ZINC000089774531 564113665 /nfs/dbraw/zinc/11/36/65/564113665.db2.gz VAMHXZWHZIOUPB-QGZVFWFLSA-N 1 0 342.405 3.565 50 0 EHAARO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000076094928 564115733 /nfs/dbraw/zinc/11/57/33/564115733.db2.gz RYFWCESXZLRZSE-CRAIPNDOSA-N 1 0 336.439 3.638 50 0 EHAARO CCOC(=O)C1CC[NH+](CCOc2ccccc2[C@H](C)CC)CC1 ZINC000006728835 564117456 /nfs/dbraw/zinc/11/74/56/564117456.db2.gz HUIWHFPHLYPMLD-MRXNPFEDSA-N 1 0 333.472 3.854 50 0 EHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000237523653 564117783 /nfs/dbraw/zinc/11/77/83/564117783.db2.gz VMGGYTPTGPIHIK-NHYWBVRUSA-N 1 0 348.368 3.723 50 0 EHAARO O=C(c1ccsc1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367172276 564117854 /nfs/dbraw/zinc/11/78/54/564117854.db2.gz VSOZJIUVVLHGBV-UHFFFAOYSA-N 1 0 340.492 3.876 50 0 EHAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000252487146 564119377 /nfs/dbraw/zinc/11/93/77/564119377.db2.gz SNRAKAZNSPVVCI-VFPBMGFPSA-N 1 0 327.465 3.565 50 0 EHAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(OC2CCOCC2)cc1 ZINC000252487501 564119404 /nfs/dbraw/zinc/11/94/04/564119404.db2.gz YOMBXNRHEQVBRK-NDSDBLNTSA-N 1 0 345.483 3.709 50 0 EHAARO CCN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)cn1 ZINC000252492279 564119610 /nfs/dbraw/zinc/11/96/10/564119610.db2.gz MHFKCTKRIDMFEK-FQEVSTJZSA-N 1 0 335.451 3.514 50 0 EHAARO Cc1nc(-c2cccc(C(=O)O[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cs1 ZINC000252502974 564119859 /nfs/dbraw/zinc/11/98/59/564119859.db2.gz UWDUJTYKGHHOSE-IAGOWNOFSA-N 1 0 342.464 3.902 50 0 EHAARO C[C@@H]1CC[N@H+](Cc2csc(-c3cnn(C)c3)n2)[C@H]2CCCC[C@@H]12 ZINC000252517277 564120280 /nfs/dbraw/zinc/12/02/80/564120280.db2.gz DOCLKQMVODZZPI-COXVUDFISA-N 1 0 330.501 3.944 50 0 EHAARO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000065932774 564122327 /nfs/dbraw/zinc/12/23/27/564122327.db2.gz JPGCYAPNLJTENJ-HNNXBMFYSA-N 1 0 332.469 3.526 50 0 EHAARO C[C@H](NC(=S)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000066008572 564123188 /nfs/dbraw/zinc/12/31/88/564123188.db2.gz VRTMGQLBDBUGCZ-MJQMVNBJSA-N 1 0 345.556 3.959 50 0 EHAARO O=C(NCc1ccc(O)cc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000044293621 564129248 /nfs/dbraw/zinc/12/92/48/564129248.db2.gz FJDITVLUAMSFRE-UHFFFAOYSA-N 1 0 339.439 3.700 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000078896877 564137372 /nfs/dbraw/zinc/13/73/72/564137372.db2.gz IRIHEKVLUIMRJY-BWACUDIHSA-N 1 0 338.854 3.777 50 0 EHAARO O=C(Nc1cccc(N2CCCCCC2)c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000095939787 564141961 /nfs/dbraw/zinc/14/19/61/564141961.db2.gz HQUWOMKPZMFGPN-HXUWFJFHSA-N 1 0 341.499 3.880 50 0 EHAARO FC(F)(F)c1cccc(CN2CCC([NH2+][C@@H]3CCSC3)CC2)c1 ZINC000095967370 564143021 /nfs/dbraw/zinc/14/30/21/564143021.db2.gz WYDGRQACVJWDKR-MRXNPFEDSA-N 1 0 344.446 3.765 50 0 EHAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1OC(F)F ZINC000095968393 564143201 /nfs/dbraw/zinc/14/32/01/564143201.db2.gz OOMBUQBYMLYFEH-GGZSPTBLSA-N 1 0 329.362 3.891 50 0 EHAARO Cc1cnn(-c2cc[nH+]cc2NCc2cnc3c(cnn3C(C)C)c2)c1 ZINC000095988530 564144030 /nfs/dbraw/zinc/14/40/30/564144030.db2.gz XCANNCCFJWTPJS-UHFFFAOYSA-N 1 0 347.426 3.513 50 0 EHAARO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000096479324 564148588 /nfs/dbraw/zinc/14/85/88/564148588.db2.gz NIDRUNALENPODI-HNNXBMFYSA-N 1 0 347.480 3.648 50 0 EHAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]1c1ccccc1 ZINC000057171561 564153359 /nfs/dbraw/zinc/15/33/59/564153359.db2.gz NBQPPLRQLJYBQD-OAQYLSRUSA-N 1 0 334.463 3.872 50 0 EHAARO COCC[N@@H+]1CCC[C@@H](CN(C)c2nc(-c3ccccc3)cs2)C1 ZINC000670434616 564156787 /nfs/dbraw/zinc/15/67/87/564156787.db2.gz ZDESVRZEGZASQC-INIZCTEOSA-N 1 0 345.512 3.605 50 0 EHAARO Clc1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c(Cl)c1 ZINC000030634211 564157268 /nfs/dbraw/zinc/15/72/68/564157268.db2.gz ZNYUDRCDVDXULZ-UHFFFAOYSA-N 1 0 347.249 3.923 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)o1)c1ccsc1 ZINC000031992681 564160409 /nfs/dbraw/zinc/16/04/09/564160409.db2.gz DGZFXCXTPPFGDZ-LBPRGKRZSA-N 1 0 326.849 3.807 50 0 EHAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(Cc3cccc(O)c3)CC2)o1 ZINC000670467425 564162738 /nfs/dbraw/zinc/16/27/38/564162738.db2.gz ZYTFVXMNNMBXIV-INIZCTEOSA-N 1 0 328.456 3.605 50 0 EHAARO C[C@@H](NC(=O)C1(c2ccccc2)CC[NH+](C)CC1)C1=CCCCC1 ZINC000670468751 564163164 /nfs/dbraw/zinc/16/31/64/564163164.db2.gz LBYKYGVCKXPNDI-QGZVFWFLSA-N 1 0 326.484 3.655 50 0 EHAARO COC(C)(C)CCC[C@@H](C)CC[NH+]1CCC2(CCC(=O)NC2)CC1 ZINC000670472041 564165390 /nfs/dbraw/zinc/16/53/90/564165390.db2.gz GRTXGDYYDHQTDC-QGZVFWFLSA-N 1 0 338.536 3.600 50 0 EHAARO COc1ccc(OC)c2c(=O)c(C[NH+]3CCCCCC3)c(C)[nH]c12 ZINC000008717961 564166876 /nfs/dbraw/zinc/16/68/76/564166876.db2.gz FQVSFQCROUIIBS-UHFFFAOYSA-N 1 0 330.428 3.642 50 0 EHAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2nc(-c3ccsc3)oc2C)c1 ZINC000069659334 564171297 /nfs/dbraw/zinc/17/12/97/564171297.db2.gz DAISLJGRSFGHHU-STQMWFEESA-N 1 0 330.457 3.956 50 0 EHAARO C[C@H]([NH2+]Cc1csc(Cc2ccccc2)n1)[C@H](C)n1cccn1 ZINC000069951928 564172899 /nfs/dbraw/zinc/17/28/99/564172899.db2.gz JEGLGKXRZNACPT-GJZGRUSLSA-N 1 0 326.469 3.670 50 0 EHAARO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000070036402 564173409 /nfs/dbraw/zinc/17/34/09/564173409.db2.gz GAMITSXCTYRIEH-KRWDZBQOSA-N 1 0 338.451 3.533 50 0 EHAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000071828167 564175676 /nfs/dbraw/zinc/17/56/76/564175676.db2.gz RKGPNZKOQUVODD-WMZOPIPTSA-N 1 0 327.472 3.965 50 0 EHAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCc1nc2ccccc2o1 ZINC000071876718 564176284 /nfs/dbraw/zinc/17/62/84/564176284.db2.gz XZCHLBDUBZQSTI-QGZVFWFLSA-N 1 0 338.455 3.948 50 0 EHAARO CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)C1CC[NH2+]CC1 ZINC000237094646 1019311858 /nfs/dbraw/zinc/31/18/58/1019311858.db2.gz MZTHVBZMUQNZGT-GORDUTHDSA-N 1 0 346.780 3.582 50 0 EHAARO CCCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@H]1CC[NH2+]C1 ZINC000178883102 1019399332 /nfs/dbraw/zinc/39/93/32/1019399332.db2.gz ITBLMLZNKSQJSU-HNNXBMFYSA-N 1 0 332.444 3.768 50 0 EHAARO COc1ccc2sc(C(=O)N3CCC[N@@H+](C4CC4)CC3)c(C)c2c1 ZINC000173336705 1033250520 /nfs/dbraw/zinc/25/05/20/1033250520.db2.gz BBMASSIFYATKJO-UHFFFAOYSA-N 1 0 344.480 3.529 50 0 EHAARO CC(C)(C[NH2+]C1CCC(Oc2cnccn2)CC1)c1ccccc1 ZINC000190322204 1026949946 /nfs/dbraw/zinc/94/99/46/1026949946.db2.gz NIQIUARZHKFLOY-UHFFFAOYSA-N 1 0 325.456 3.734 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000581788059 1035575667 /nfs/dbraw/zinc/57/56/67/1035575667.db2.gz RFAKJETVLANQAB-GOSISDBHSA-N 1 0 335.536 3.863 50 0 EHAARO CC1=C[C@H](C)O[C@@H](c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)C1 ZINC000004012331 1038395863 /nfs/dbraw/zinc/39/58/63/1038395863.db2.gz NREKQQJAYSTICF-FBBABVLZSA-N 1 0 345.483 3.708 50 0 EHAARO CC(C)CNC(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257193847 1038543557 /nfs/dbraw/zinc/54/35/57/1038543557.db2.gz ZXMQUNCEHMNGEE-IBGZPJMESA-N 1 0 343.515 3.900 50 0 EHAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000330877612 1040888931 /nfs/dbraw/zinc/88/89/31/1040888931.db2.gz XPNBYKIRIXCQFW-WMZOPIPTSA-N 1 0 332.488 3.526 50 0 EHAARO CC(C)(C)[C@@H]1CCC[C@H](NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000333283530 1041728668 /nfs/dbraw/zinc/72/86/68/1041728668.db2.gz MXBQFZYGHRDCTB-FGTMMUONSA-N 1 0 346.519 3.532 50 0 EHAARO CCN(C(=O)Nc1cc(C)on1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000107151082 1041826616 /nfs/dbraw/zinc/82/66/16/1041826616.db2.gz SEIJBWYOPXOABA-NVXWUHKLSA-N 1 0 342.443 3.672 50 0 EHAARO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCC2(O)CCC2)cc1 ZINC000421864869 1041946071 /nfs/dbraw/zinc/94/60/71/1041946071.db2.gz YEMGPAKNZXSSOM-HXUWFJFHSA-N 1 0 340.467 3.659 50 0 EHAARO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(C(=O)C(C)C)cc2)CC1 ZINC000888093905 1043184622 /nfs/dbraw/zinc/18/46/22/1043184622.db2.gz GTMNRVHIXCUZRP-UHFFFAOYSA-N 1 0 345.487 3.863 50 0 EHAARO Fc1cc2c(cc1Cl)[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)CC2 ZINC000527858587 1127600533 /nfs/dbraw/zinc/60/05/33/1127600533.db2.gz LKKLJOCKEVVXTK-SUMWQHHRSA-N 1 0 346.837 3.515 50 0 EHAARO O=C(Nc1cccc(C[NH2+][C@@H]2CCCOC2)c1)c1ccccc1Cl ZINC000237861005 1123892605 /nfs/dbraw/zinc/89/26/05/1123892605.db2.gz RLJLMYLNZOAQMH-MRXNPFEDSA-N 1 0 344.842 3.861 50 0 EHAARO C[C@H](c1cccc(CN(C)Cc2noc(C3CCC3)n2)c1)[NH+](C)C ZINC000823719850 1131080026 /nfs/dbraw/zinc/08/00/26/1131080026.db2.gz PUYKLKIVZATVQS-CQSZACIVSA-N 1 0 328.460 3.592 50 0 EHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000823778623 1131081829 /nfs/dbraw/zinc/08/18/29/1131081829.db2.gz HJLYFFDSCJCXJX-OAQYLSRUSA-N 1 0 336.479 3.809 50 0 EHAARO O=C(CCc1ccccc1F)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000828013020 1131414951 /nfs/dbraw/zinc/41/49/51/1131414951.db2.gz KCVWMQXESCAKGU-INIZCTEOSA-N 1 0 346.471 3.601 50 0 EHAARO CCCn1c(C)cnc1C[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC000575545562 1131568172 /nfs/dbraw/zinc/56/81/72/1131568172.db2.gz IFKGPRSHQPJRPZ-SFHVURJKSA-N 1 0 327.472 3.675 50 0 EHAARO COCc1ncc(C)n1CC1CC[NH+](Cc2sccc2C)CC1 ZINC000575549784 1131572269 /nfs/dbraw/zinc/57/22/69/1131572269.db2.gz NBKGQVFSPMPSNV-UHFFFAOYSA-N 1 0 333.501 3.620 50 0 EHAARO CC(C)C[N@H+](Cc1ccncc1)C1CN(C(=O)CC2CCCCC2)C1 ZINC000581776277 1132352630 /nfs/dbraw/zinc/35/26/30/1132352630.db2.gz LNSWVJTZUFUFFM-UHFFFAOYSA-N 1 0 343.515 3.721 50 0 EHAARO COc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)CC2)c1 ZINC000581787955 1132356177 /nfs/dbraw/zinc/35/61/77/1132356177.db2.gz LKTMCYKRKLIFIO-GOSISDBHSA-N 1 0 344.499 3.669 50 0 EHAARO COCCn1c(C)cnc1C[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000581815379 1132372574 /nfs/dbraw/zinc/37/25/74/1132372574.db2.gz APRZHIPXYDZJHM-IBGZPJMESA-N 1 0 333.520 3.673 50 0 EHAARO Cc1ccc(C[N@@H+]2CC[C@@H](Cn3c(C)cnc3-c3ccncc3)C2)o1 ZINC000581813630 1132376703 /nfs/dbraw/zinc/37/67/03/1132376703.db2.gz AEGILTFLJNQPOV-QGZVFWFLSA-N 1 0 336.439 3.677 50 0 EHAARO FC(F)n1c(C[NH2+][C@@H]2CCc3ccccc3OC2)nc2ccccc21 ZINC000585080265 1136964348 /nfs/dbraw/zinc/96/43/48/1136964348.db2.gz WPYQOEBTGKWTKK-CQSZACIVSA-N 1 0 343.377 3.915 50 0 EHAARO CCCCC(=O)Nc1ccc(NC(=O)[C@@H](C)C[NH+](C)C)cc1Cl ZINC000952864589 1137483377 /nfs/dbraw/zinc/48/33/77/1137483377.db2.gz KINCDVJLXKELKL-LBPRGKRZSA-N 1 0 339.867 3.605 50 0 EHAARO CC(C)C[N@@H+]1CCCN(Cc2cc3ccc(Cl)cc3[nH]c2=O)CC1 ZINC000952964524 1137483634 /nfs/dbraw/zinc/48/36/34/1137483634.db2.gz MFGXKANGOMITQI-UHFFFAOYSA-N 1 0 347.890 3.758 50 0 EHAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2cccc(C(F)(F)F)c2)n1 ZINC000952969300 1137484054 /nfs/dbraw/zinc/48/40/54/1137484054.db2.gz ATQBESNMCRWTHO-CYBMUJFWSA-N 1 0 325.378 3.740 50 0 EHAARO O[C@@H](c1cccs1)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000952971663 1137484273 /nfs/dbraw/zinc/48/42/73/1137484273.db2.gz QFSKGVGYNMICOJ-LJQANCHMSA-N 1 0 329.465 3.629 50 0 EHAARO CCn1cc(C[N@H+](CC)Cc2cc3ccc(Cl)cc3[nH]c2=O)cn1 ZINC000952982290 1137485277 /nfs/dbraw/zinc/48/52/77/1137485277.db2.gz GGFHQWXQSAAZLE-UHFFFAOYSA-N 1 0 344.846 3.832 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000050119855 214045717 /nfs/dbraw/zinc/04/57/17/214045717.db2.gz HNBRYZFOEBMARD-UHFFFAOYSA-N 1 0 328.840 3.765 50 0 EHAARO Cc1cc(NC(=O)CC[N@H+]2CCC[C@H](C)C2)ccc1Br ZINC000004743651 210266637 /nfs/dbraw/zinc/26/66/37/210266637.db2.gz NWLWWFSYPYQXJE-LBPRGKRZSA-N 1 0 339.277 3.818 50 0 EHAARO CC(C)(C)[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cccs1 ZINC000052838384 214150239 /nfs/dbraw/zinc/15/02/39/214150239.db2.gz HCAGJUZTTZGWFT-CQSZACIVSA-N 1 0 333.482 3.695 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1cccn1-c1nccs1 ZINC000055107411 214273055 /nfs/dbraw/zinc/27/30/55/214273055.db2.gz RQNWYMYYKSXMSZ-HNNXBMFYSA-N 1 0 347.509 3.768 50 0 EHAARO C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000055134039 214277747 /nfs/dbraw/zinc/27/77/47/214277747.db2.gz GQLYPSOHKZUYHQ-GFCCVEGCSA-N 1 0 335.386 3.943 50 0 EHAARO c1cncc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)c1 ZINC000055154744 214279913 /nfs/dbraw/zinc/27/99/13/214279913.db2.gz UQTDUHFHDJPUHX-NRFANRHFSA-N 1 0 327.516 3.950 50 0 EHAARO Fc1ccc2[nH]c(C3CC[NH+](Cc4cc(C5CC5)n[nH]4)CC3)nc2c1 ZINC000097756565 219055053 /nfs/dbraw/zinc/05/50/53/219055053.db2.gz WFKXIBVWSWUSGN-UHFFFAOYSA-N 1 0 339.418 3.682 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000055403206 214319568 /nfs/dbraw/zinc/31/95/68/214319568.db2.gz RWYYTDBXSANMHA-CQSZACIVSA-N 1 0 326.469 3.905 50 0 EHAARO Cc1csc2nc(C[N@@H+]3CCC[C@@H]3c3cccc(C)c3)cc(=O)n12 ZINC000055910885 214347710 /nfs/dbraw/zinc/34/77/10/214347710.db2.gz DRDUSKHGQCGFLA-QGZVFWFLSA-N 1 0 339.464 3.710 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000097819581 219058653 /nfs/dbraw/zinc/05/86/53/219058653.db2.gz CFFSPOHYEDGDHS-UHFFFAOYSA-N 1 0 334.423 3.645 50 0 EHAARO CCCCCOc1cccc(NC(=O)O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000004566628 210222455 /nfs/dbraw/zinc/22/24/55/210222455.db2.gz QCSWLZIYGJLXQK-GOSISDBHSA-N 1 0 332.444 3.898 50 0 EHAARO COc1ccccc1/C=C/C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028851 210102738 /nfs/dbraw/zinc/10/27/38/210102738.db2.gz VWQUVTOLQIBAKW-AAIOHFERSA-N 1 0 329.440 3.516 50 0 biogenic EHAARO Clc1ccc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000067442521 215145372 /nfs/dbraw/zinc/14/53/72/215145372.db2.gz TWRYISBJPQCJIG-UHFFFAOYSA-N 1 0 326.831 3.762 50 0 EHAARO C[NH+](C)CCC1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000067612869 215169844 /nfs/dbraw/zinc/16/98/44/215169844.db2.gz LIOKMTZSUGJBFJ-UHFFFAOYSA-N 1 0 346.368 3.648 50 0 EHAARO C[NH+]1CCC(Cc2noc(-c3ccc([C@H]4CCCO4)s3)n2)CC1 ZINC000067714054 215193540 /nfs/dbraw/zinc/19/35/40/215193540.db2.gz SQZBIKXLIUUCCJ-CYBMUJFWSA-N 1 0 333.457 3.534 50 0 EHAARO Cc1nnc(-c2ccccc2-c2cc(F)cc3c2O[C@H](C[NH3+])C3)s1 ZINC000067742832 215201103 /nfs/dbraw/zinc/20/11/03/215201103.db2.gz TXIIQAOSTKOCPF-ZDUSSCGKSA-N 1 0 341.411 3.582 50 0 EHAARO Cc1nc2cc(Cc3nc(C4CC4)nn3-c3cc[nH+]cc3C)ccc2[nH]1 ZINC000067742268 215201234 /nfs/dbraw/zinc/20/12/34/215201234.db2.gz YFVMNSVUIGRXSY-UHFFFAOYSA-N 1 0 344.422 3.624 50 0 EHAARO Cc1ccc(-c2cc(O)c3c(c2)CN(CCC[NH+](C)C)CCO3)s1 ZINC000067846982 215228540 /nfs/dbraw/zinc/22/85/40/215228540.db2.gz AFBQATXIYVGIHP-UHFFFAOYSA-N 1 0 346.496 3.575 50 0 EHAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000067885193 215240806 /nfs/dbraw/zinc/24/08/06/215240806.db2.gz QNJVRTMAIOMIKR-UHFFFAOYSA-N 1 0 348.450 3.860 50 0 EHAARO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069325887 215378382 /nfs/dbraw/zinc/37/83/82/215378382.db2.gz QAJQMZPHLNQYEM-GOSISDBHSA-N 1 0 328.843 3.621 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCSc2ccccc21 ZINC000069371257 215390990 /nfs/dbraw/zinc/39/09/90/215390990.db2.gz ABDBGMJAFZSDLD-INIZCTEOSA-N 1 0 344.528 3.936 50 0 EHAARO Cc1ccc(CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C2CC2)o1 ZINC000040138975 213271302 /nfs/dbraw/zinc/27/13/02/213271302.db2.gz UXYMEMBDDWQFGQ-INIZCTEOSA-N 1 0 347.484 3.626 50 0 EHAARO Cc1csc2nc(C[N@@H+](C)[C@H](C)c3ccc(Cl)cc3)cc(=O)n12 ZINC000040063169 213257030 /nfs/dbraw/zinc/25/70/30/213257030.db2.gz XXKFAWIGPQLTQC-GFCCVEGCSA-N 1 0 347.871 3.911 50 0 EHAARO C[NH+](C)CCn1ccc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc21 ZINC000069653491 215516263 /nfs/dbraw/zinc/51/62/63/215516263.db2.gz QLVSMEFWLWTSAY-UHFFFAOYSA-N 1 0 346.434 3.937 50 0 EHAARO CC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103928 213069336 /nfs/dbraw/zinc/06/93/36/213069336.db2.gz YFQOFIQRVZJUDQ-IBGZPJMESA-N 1 0 341.451 3.805 50 0 EHAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036098339 213065038 /nfs/dbraw/zinc/06/50/38/213065038.db2.gz BWOWODPSOAPLNC-IBGZPJMESA-N 1 0 343.467 3.654 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000036079685 213061084 /nfs/dbraw/zinc/06/10/84/213061084.db2.gz MJSNJFJWKLJCPD-GOSISDBHSA-N 1 0 330.378 3.532 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000035083507 213007054 /nfs/dbraw/zinc/00/70/54/213007054.db2.gz OCWKRSVQUNLLTR-SCRDCRAPSA-N 1 0 332.271 3.711 50 0 EHAARO Cc1ccc(F)c(CN2CCC[N@H+](Cc3ccncc3)CC2)c1Cl ZINC000072127192 216018378 /nfs/dbraw/zinc/01/83/78/216018378.db2.gz FBJSTUGHMIKHOM-UHFFFAOYSA-N 1 0 347.865 3.890 50 0 EHAARO COc1cccc([C@H]2CCCC[N@@H+]2Cc2[nH]cc(C)c(=O)c2C)c1 ZINC000072130842 216021168 /nfs/dbraw/zinc/02/11/68/216021168.db2.gz JKBRPPBKQWYFSL-LJQANCHMSA-N 1 0 326.440 3.728 50 0 EHAARO CC(C)c1cc(N2CCC([C@H](C)[NH+]3CCCC3)CC2)n2nccc2n1 ZINC000072143965 216029038 /nfs/dbraw/zinc/02/90/38/216029038.db2.gz OLFHRBPOILMWGG-INIZCTEOSA-N 1 0 341.503 3.553 50 0 EHAARO CCCCN(Cc1cccnc1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072150757 216038642 /nfs/dbraw/zinc/03/86/42/216038642.db2.gz KQPHATJVMJFLOG-SFHVURJKSA-N 1 0 337.467 3.601 50 0 EHAARO CN1c2ccccc2C2(CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)C1=O ZINC000072150994 216039756 /nfs/dbraw/zinc/03/97/56/216039756.db2.gz PRDYVUDVCXDQKE-UHFFFAOYSA-N 1 0 345.446 3.678 50 0 EHAARO CC(C)[NH+](CCNc1nc(C2CCCC2)nc2c1cnn2C)C(C)C ZINC000072163096 216051770 /nfs/dbraw/zinc/05/17/70/216051770.db2.gz RASKLGNVFZCQNI-UHFFFAOYSA-N 1 0 344.507 3.552 50 0 EHAARO [NH3+][C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000072168227 216059732 /nfs/dbraw/zinc/05/97/32/216059732.db2.gz FKSSVTHJZQZAAZ-KRWDZBQOSA-N 1 0 345.446 3.855 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H](C)c2ccccc2F)C1 ZINC000072274371 216097927 /nfs/dbraw/zinc/09/79/27/216097927.db2.gz STSGDFRHXOUETM-HOTGVXAUSA-N 1 0 335.467 3.649 50 0 EHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1 ZINC000000350684 209546193 /nfs/dbraw/zinc/54/61/93/209546193.db2.gz IGFRMDMTZOXULA-LJQANCHMSA-N 1 0 341.430 3.734 50 0 EHAARO Cc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCC2)cc1 ZINC000000274186 209514230 /nfs/dbraw/zinc/51/42/30/209514230.db2.gz ZUUSQINWWMDMMW-UHFFFAOYSA-N 1 0 348.450 3.693 50 0 aggregator EHAARO C[N@@H+]1CCN(C(=O)Cc2cccc3ccccc32)C2(CCCCC2)C1 ZINC000072306723 216144961 /nfs/dbraw/zinc/14/49/61/216144961.db2.gz DKEFRXMEHOBDPU-UHFFFAOYSA-N 1 0 336.479 3.859 50 0 EHAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccoc3)C2)CN1Cc1ccccc1 ZINC000072412491 216205206 /nfs/dbraw/zinc/20/52/06/216205206.db2.gz UQFBLZSKCCQZCK-NRFANRHFSA-N 1 0 338.451 3.684 50 0 EHAARO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131488192 223239657 /nfs/dbraw/zinc/23/96/57/223239657.db2.gz UDZWMPFAFQGNKQ-HXUWFJFHSA-N 1 0 337.467 3.858 50 0 EHAARO Brc1ccccc1OCCCCCC[NH+]1CCOCC1 ZINC000023115540 212349444 /nfs/dbraw/zinc/34/94/44/212349444.db2.gz NQTPECCGKYHMAH-UHFFFAOYSA-N 1 0 342.277 3.721 50 0 EHAARO CC(C)c1cc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)[nH]n1 ZINC000022914175 212334305 /nfs/dbraw/zinc/33/43/05/212334305.db2.gz UNWRKOIZGGQWPM-HXUWFJFHSA-N 1 0 340.515 3.672 50 0 EHAARO CC(C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)[NH+](C)C ZINC000022754426 212321116 /nfs/dbraw/zinc/32/11/16/212321116.db2.gz XFBOTLHNULGHNA-JLTOFOAXSA-N 1 0 341.499 3.609 50 0 EHAARO CC(C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)[NH+](C)C ZINC000022754422 212321133 /nfs/dbraw/zinc/32/11/33/212321133.db2.gz XFBOTLHNULGHNA-XOBRGWDASA-N 1 0 341.499 3.609 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000022787554 212325288 /nfs/dbraw/zinc/32/52/88/212325288.db2.gz CNWGHHIFYUDSDT-JOCHJYFZSA-N 1 0 348.494 3.882 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000022784745 212323221 /nfs/dbraw/zinc/32/32/21/212323221.db2.gz UVIMXNIJMVTZLJ-LLVKDONJSA-N 1 0 337.366 3.841 50 0 EHAARO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000022884691 212332035 /nfs/dbraw/zinc/33/20/35/212332035.db2.gz MTCGCBSBFHLCGQ-UHFFFAOYSA-N 1 0 343.474 3.989 50 0 EHAARO COc1cc(Cl)cc(C[N@H+](C)CCC[C@H]2CCCO2)c1OC ZINC000215831543 241151938 /nfs/dbraw/zinc/15/19/38/241151938.db2.gz CCPSZFHLBJGEPQ-HNNXBMFYSA-N 1 0 327.852 3.748 50 0 EHAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)Cc1cc2c(cc1Cl)OCO2 ZINC000215999850 241155949 /nfs/dbraw/zinc/15/59/49/241155949.db2.gz QZSXJUPVYKVJLP-UHFFFAOYSA-N 1 0 344.842 3.646 50 0 EHAARO CC(C)c1ccc(NC(=O)C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1 ZINC000022029716 212272809 /nfs/dbraw/zinc/27/28/09/212272809.db2.gz VESOLZMCSGPSLG-HXUWFJFHSA-N 1 0 339.483 3.641 50 0 EHAARO CCCO[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)C1 ZINC000219282005 241374859 /nfs/dbraw/zinc/37/48/59/241374859.db2.gz CRYVRGQKSNAEOF-QGZVFWFLSA-N 1 0 348.487 3.543 50 0 EHAARO COc1ccccc1CN(C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000219328787 241382600 /nfs/dbraw/zinc/38/26/00/241382600.db2.gz SMIHSZJQANMAFG-UHFFFAOYSA-N 1 0 330.497 3.985 50 0 EHAARO COCCCC[NH+]1CCN(Cc2ccc(C)c(Cl)c2Cl)CC1 ZINC000222892970 241574208 /nfs/dbraw/zinc/57/42/08/241574208.db2.gz GSSXIBHVTNIAPQ-UHFFFAOYSA-N 1 0 345.314 3.846 50 0 EHAARO Cc1cc(C)n(-c2cccc(C[NH2+][C@H]3COc4ccccc4C3)c2)n1 ZINC000020996106 212196549 /nfs/dbraw/zinc/19/65/49/212196549.db2.gz DCSPIPMWBUPBCF-LJQANCHMSA-N 1 0 333.435 3.582 50 0 EHAARO Fc1ccc(F)c(CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000020783651 212171234 /nfs/dbraw/zinc/17/12/34/212171234.db2.gz KBFBIOPKBPODKV-LJQANCHMSA-N 1 0 342.433 3.686 50 0 EHAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1F)[NH2+]CC2 ZINC000020507014 212141818 /nfs/dbraw/zinc/14/18/18/212141818.db2.gz ABYDTUZSQGVRJJ-FQEVSTJZSA-N 1 0 345.414 3.867 50 0 biogenic EHAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000253630239 244040956 /nfs/dbraw/zinc/04/09/56/244040956.db2.gz PGOVWNRZGZGMPF-QAPCUYQASA-N 1 0 333.439 3.807 50 0 EHAARO Cc1cc(C)c(C[NH2+][C@@H]2COc3ccccc3C2)c(-n2cccn2)c1 ZINC000019771023 212063179 /nfs/dbraw/zinc/06/31/79/212063179.db2.gz QIMYIKFBUBGZGU-SFHVURJKSA-N 1 0 333.435 3.582 50 0 EHAARO OCC[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC[N@@H+]1C1CCCCC1 ZINC000019606434 212051549 /nfs/dbraw/zinc/05/15/49/212051549.db2.gz NDZOKVGGAJTEHX-KTBYTZPXSA-N 1 0 346.490 3.540 50 0 EHAARO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000014141816 211694233 /nfs/dbraw/zinc/69/42/33/211694233.db2.gz WBYVESQELBLVNO-CYBMUJFWSA-N 1 0 336.357 3.672 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000012348690 211354603 /nfs/dbraw/zinc/35/46/03/211354603.db2.gz QBIIRFWLMVGPQN-AWEZNQCLSA-N 1 0 342.386 3.800 50 0 EHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1c(F)cccc1F ZINC000012355642 211353783 /nfs/dbraw/zinc/35/37/83/211353783.db2.gz ULZZKHOFBWCNSD-HNNXBMFYSA-N 1 0 336.407 3.593 50 0 EHAARO O=C1CCCN1CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091265473 217988431 /nfs/dbraw/zinc/98/84/31/217988431.db2.gz PURHSVOOGLGGSB-KRWDZBQOSA-N 1 0 340.389 3.759 50 0 EHAARO Cn1cc(C[N@H+](C)CCO)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011947461 211274727 /nfs/dbraw/zinc/27/47/27/211274727.db2.gz NCNPIQZOXKMZRL-UHFFFAOYSA-N 1 0 327.472 3.559 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000011934533 211272341 /nfs/dbraw/zinc/27/23/41/211272341.db2.gz DPPUMZOMZBRZKH-FQEVSTJZSA-N 1 0 343.515 3.602 50 0 EHAARO CSc1ccccc1C[NH+]1CCC2(CC(=O)N(CC(C)C)C2)CC1 ZINC000091476158 218012067 /nfs/dbraw/zinc/01/20/67/218012067.db2.gz QLPMPXPTMJEBRI-UHFFFAOYSA-N 1 0 346.540 3.879 50 0 EHAARO O=C(c1cc(F)cc(Cl)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000091620424 218032157 /nfs/dbraw/zinc/03/21/57/218032157.db2.gz CCIOOQRWYDSQTB-QGZVFWFLSA-N 1 0 338.854 3.960 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2[nH]c3c(c2C)c(C)ccc3C)C1 ZINC000091624568 218033176 /nfs/dbraw/zinc/03/31/76/218033176.db2.gz HRFFMYSLFQZWPV-MRXNPFEDSA-N 1 0 327.472 3.649 50 0 EHAARO OC[C@@]1(CC2CC2)CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000091536660 218019691 /nfs/dbraw/zinc/01/96/91/218019691.db2.gz IGEZMPUYYOVLNF-GOSISDBHSA-N 1 0 325.399 3.663 50 0 EHAARO COCCC[C@]1(CO)CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000091678910 218047077 /nfs/dbraw/zinc/04/70/77/218047077.db2.gz UBNNXCKMYZHRJK-QGZVFWFLSA-N 1 0 345.405 3.707 50 0 EHAARO OCc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)o1 ZINC000091891837 218083327 /nfs/dbraw/zinc/08/33/27/218083327.db2.gz MKIGOAUPRPFJOY-WMLDXEAASA-N 1 0 335.469 3.702 50 0 EHAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000010340061 211167639 /nfs/dbraw/zinc/16/76/39/211167639.db2.gz OQLLYWLIHPTKFE-HNAYVOBHSA-N 1 0 326.415 3.840 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(N(C)C)cc1 ZINC000009931984 211134760 /nfs/dbraw/zinc/13/47/60/211134760.db2.gz LINUUMHVLJQOET-UHFFFAOYSA-N 1 0 339.483 3.524 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(F)cc1F ZINC000009514972 211094672 /nfs/dbraw/zinc/09/46/72/211094672.db2.gz KEZKSNXKZNFBRQ-MRXNPFEDSA-N 1 0 349.381 3.907 50 0 EHAARO c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000093506802 218228416 /nfs/dbraw/zinc/22/84/16/218228416.db2.gz UZIRZIOHCYDMEX-TZIWHRDSSA-N 1 0 338.451 3.662 50 0 EHAARO O=C(c1ccoc1)N1CCC([NH2+][C@H](C2CC2)C2CCCCC2)CC1 ZINC000095427087 218369053 /nfs/dbraw/zinc/36/90/53/218369053.db2.gz MFULJWKLYPRAFW-IBGZPJMESA-N 1 0 330.472 3.833 50 0 EHAARO CC(C)C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccn1 ZINC000095420045 218360857 /nfs/dbraw/zinc/36/08/57/218360857.db2.gz ZXAFMQXQKKUKFN-IBGZPJMESA-N 1 0 341.455 3.656 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccnc(OCC3CC3)c2)c1 ZINC000095422227 218363993 /nfs/dbraw/zinc/36/39/93/218363993.db2.gz ZZMZZIBBNDIVGF-CQSZACIVSA-N 1 0 339.439 3.680 50 0 EHAARO Cc1ccc([C@H](C)[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)s1 ZINC000095421737 218364319 /nfs/dbraw/zinc/36/43/19/218364319.db2.gz LTICTGBJWWXOFW-PKOBYXMFSA-N 1 0 343.540 3.696 50 0 EHAARO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)Sc1ccccc1 ZINC000095423422 218365983 /nfs/dbraw/zinc/36/59/83/218365983.db2.gz AONPUTBKMDPDHY-GJZGRUSLSA-N 1 0 349.521 3.922 50 0 EHAARO CCc1cnc(CC[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)s1 ZINC000095423431 218366369 /nfs/dbraw/zinc/36/63/69/218366369.db2.gz GGNUQHJUGBTGSJ-CQSZACIVSA-N 1 0 345.512 3.872 50 0 EHAARO Cc1cc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc(C)c1Cl ZINC000005051617 210375847 /nfs/dbraw/zinc/37/58/47/210375847.db2.gz DRPZDBYGBLRKOR-HRCADAONSA-N 1 0 325.880 3.959 50 0 EHAARO CCOc1ccc([C@@]2(C)N(O)[C@H](CC)C(c3ccccc3)[N+]2=O)cc1 ZINC000004872676 210310482 /nfs/dbraw/zinc/31/04/82/210310482.db2.gz ZDBDMQMQRXWMFY-QUCCMNQESA-N 1 0 340.423 3.741 50 0 EHAARO CC(=O)Nc1cccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000097237997 219003071 /nfs/dbraw/zinc/00/30/71/219003071.db2.gz NPKPPRJPPHQGSP-SFHVURJKSA-N 1 0 328.387 3.788 50 0 EHAARO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H](C)c1ccncc1 ZINC000097370657 219016305 /nfs/dbraw/zinc/01/63/05/219016305.db2.gz DZDGCRWMZAIELD-LSDHHAIUSA-N 1 0 337.423 3.698 50 0 EHAARO CC[NH+](CC)CCSCC(=O)Nc1ccc(-c2ncco2)cc1C ZINC000521394433 257948334 /nfs/dbraw/zinc/94/83/34/257948334.db2.gz VKGORDQVKAPCHU-UHFFFAOYSA-N 1 0 347.484 3.664 50 0 EHAARO CN(CC[N@H+](C)C1CCCC1)C(=O)Nc1ccc(Cl)cc1F ZINC000299773651 258085413 /nfs/dbraw/zinc/08/54/13/258085413.db2.gz GUNYVAQTTKTTFL-UHFFFAOYSA-N 1 0 327.831 3.817 50 0 EHAARO CCN(CC[NH+](C)C)C(=O)Nc1ccc(OCc2cccs2)cc1 ZINC000299773552 258085494 /nfs/dbraw/zinc/08/54/94/258085494.db2.gz FRSVOJHPUXHFMA-UHFFFAOYSA-N 1 0 347.484 3.743 50 0 EHAARO Cc1cc(N2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)n2nccc2n1 ZINC000072477839 258064698 /nfs/dbraw/zinc/06/46/98/258064698.db2.gz NAYJMZIIKPDWHV-OAHLLOKOSA-N 1 0 346.438 3.606 50 0 EHAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000299760422 258077423 /nfs/dbraw/zinc/07/74/23/258077423.db2.gz JXRZENHODHHWMY-KRWDZBQOSA-N 1 0 330.403 3.576 50 0 EHAARO CCCOCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299762171 258078590 /nfs/dbraw/zinc/07/85/90/258078590.db2.gz RUOMUPKKVBQLBN-BBWFWOEESA-N 1 0 327.428 3.689 50 0 EHAARO COc1cccc(N2CC[NH+](Cc3ccc(SC)cc3)CC2)c1 ZINC000055291894 132194359 /nfs/dbraw/zinc/19/43/59/132194359.db2.gz YTXXHIGGVROVIB-UHFFFAOYSA-N 1 0 328.481 3.739 50 0 EHAARO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C1 ZINC000129846277 534412591 /nfs/dbraw/zinc/41/25/91/534412591.db2.gz WDXMOROHCUQYNZ-JKSUJKDBSA-N 1 0 348.453 3.732 50 0 EHAARO CC[NH+]1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc32)CC1 ZINC000000038135 521701530 /nfs/dbraw/zinc/70/15/30/521701530.db2.gz KDCCDZMLOSJQNU-UHFFFAOYSA-N 1 0 332.451 3.747 50 0 EHAARO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000163860210 529270921 /nfs/dbraw/zinc/27/09/21/529270921.db2.gz UQNJRCRJPUGWQI-NVGCLXPQSA-N 1 0 329.868 3.805 50 0 EHAARO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000030921163 563911741 /nfs/dbraw/zinc/91/17/41/563911741.db2.gz YOHBXZHYGMGYJQ-NSHDSACASA-N 1 0 336.233 3.731 50 0 EHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000000239645 563265023 /nfs/dbraw/zinc/26/50/23/563265023.db2.gz SSZGFUHBLYAGJB-HNNXBMFYSA-N 1 0 342.405 3.786 50 0 EHAARO COc1cc(C)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000000292167 563273927 /nfs/dbraw/zinc/27/39/27/563273927.db2.gz XNLNTDYKOIVBSS-UHFFFAOYSA-N 1 0 328.431 3.773 50 0 EHAARO CC1(C)CC(NC(=O)COc2ccc3ccccc3c2)CC(C)(C)[NH2+]1 ZINC000000323940 563284249 /nfs/dbraw/zinc/28/42/49/563284249.db2.gz CXHBCAUWUPKRQS-UHFFFAOYSA-N 1 0 340.467 3.644 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCC(C)CC2)CCCC1 ZINC000000571506 563349563 /nfs/dbraw/zinc/34/95/63/563349563.db2.gz DWCJGYVSROLRDX-SFHVURJKSA-N 1 0 340.511 3.921 50 0 EHAARO COc1ccc(C2(C[NH2+][C@@H](C)c3nnc(C)o3)CCCCC2)cc1 ZINC000071902600 563555473 /nfs/dbraw/zinc/55/54/73/563555473.db2.gz GQLCGSXQWXTYDE-AWEZNQCLSA-N 1 0 329.444 3.939 50 0 EHAARO CC1CC[NH+](CCCCNC(=O)NCc2cccc(Cl)c2)CC1 ZINC000042932739 563588606 /nfs/dbraw/zinc/58/86/06/563588606.db2.gz ZEHIRCWYQOPFGS-UHFFFAOYSA-N 1 0 337.895 3.651 50 0 EHAARO Cc1cccc(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2CCCCC3)c1 ZINC000002974642 563623467 /nfs/dbraw/zinc/62/34/67/563623467.db2.gz CKTXSTUKRPWVFZ-NRFANRHFSA-N 1 0 339.434 3.784 50 0 EHAARO CCc1ccc([N+]2=C3CCCCCN3[C@](O)(c3cccs3)C2)cc1 ZINC000002974570 563623542 /nfs/dbraw/zinc/62/35/42/563623542.db2.gz SNGHUFBUGOMUNB-HXUWFJFHSA-N 1 0 341.500 3.961 50 0 EHAARO Fc1ccc(COc2ccccc2C[NH2+]CCCn2ccnc2)cc1 ZINC000010314005 563646822 /nfs/dbraw/zinc/64/68/22/563646822.db2.gz OCGYEHOUZOAICS-UHFFFAOYSA-N 1 0 339.414 3.781 50 0 EHAARO CN(C)c1ncccc1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000012596186 563664633 /nfs/dbraw/zinc/66/46/33/563664633.db2.gz WIDYIMBYKGKZSQ-UHFFFAOYSA-N 1 0 325.456 3.759 50 0 EHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CC2CCCCC2)c1 ZINC000014884126 563766543 /nfs/dbraw/zinc/76/65/43/563766543.db2.gz BCGXVFVQGRBTEK-LJQANCHMSA-N 1 0 344.499 3.746 50 0 EHAARO CSCC[C@H](C)[N@@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000015064826 563774729 /nfs/dbraw/zinc/77/47/29/563774729.db2.gz SVUUCCCTDHFLLR-LBPRGKRZSA-N 1 0 346.452 3.570 50 0 EHAARO CC[N@H+](CCO)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000015073226 563776074 /nfs/dbraw/zinc/77/60/74/563776074.db2.gz DVNMTIPBQDNGGE-UHFFFAOYSA-N 1 0 349.478 3.970 50 0 EHAARO c1c(COc2ccc(C[NH2+]Cc3cccnc3)cc2)nc2ccccn12 ZINC000015566860 563787252 /nfs/dbraw/zinc/78/72/52/563787252.db2.gz PHJSTKYZASGXKH-UHFFFAOYSA-N 1 0 344.418 3.598 50 0 EHAARO Fc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000015923356 563800102 /nfs/dbraw/zinc/80/01/02/563800102.db2.gz WRSMRIOWGWHKGT-UHFFFAOYSA-N 1 0 336.414 3.538 50 0 EHAARO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(C)c1C ZINC000016310218 563808121 /nfs/dbraw/zinc/80/81/21/563808121.db2.gz DJAQVGWUBGBTFK-UHFFFAOYSA-N 1 0 341.451 3.888 50 0 EHAARO CC[N@H+](Cn1nc2ccccn2c1=S)C1C2CC3CC(C2)CC1C3 ZINC000032935464 563845189 /nfs/dbraw/zinc/84/51/89/563845189.db2.gz RVCKVZQPQMJMSX-UHFFFAOYSA-N 1 0 342.512 3.969 50 0 EHAARO c1cnn(Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccs2)c1 ZINC000029655093 563907592 /nfs/dbraw/zinc/90/75/92/563907592.db2.gz XVMNCBBPROMNPZ-UHFFFAOYSA-N 1 0 349.463 3.673 50 0 EHAARO Cc1csc2c1ncn(CC[C@H]1CCCC[N@@H+]1C1CCCC1)c2=O ZINC000032580935 563914021 /nfs/dbraw/zinc/91/40/21/563914021.db2.gz BEVTTYDCKZYULS-MRXNPFEDSA-N 1 0 345.512 3.954 50 0 EHAARO c1ccc(Oc2cccc(OCCCC[NH+]3CCOCC3)c2)cc1 ZINC000023115513 563918849 /nfs/dbraw/zinc/91/88/49/563918849.db2.gz ITMFFYLYHFRPSA-UHFFFAOYSA-N 1 0 327.424 3.970 50 0 EHAARO Cn1c(C[NH2+][C@H]2CCCSC2)nc2cc(C(F)(F)F)ccc21 ZINC000150970624 563919645 /nfs/dbraw/zinc/91/96/45/563919645.db2.gz MCSOOFWZKURKJG-NSHDSACASA-N 1 0 329.391 3.577 50 0 EHAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2nccc3ccccc32)c1 ZINC000060322084 563928818 /nfs/dbraw/zinc/92/88/18/563928818.db2.gz IOOXXZCWRRDJDE-UHFFFAOYSA-N 1 0 333.435 3.617 50 0 EHAARO C[C@H](Cc1ccccc1F)[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000048121619 563930004 /nfs/dbraw/zinc/93/00/04/563930004.db2.gz RXOOVKAVHCLXAY-CQSZACIVSA-N 1 0 328.435 3.563 50 0 EHAARO Cc1nc(C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)c(C)s1 ZINC000269866615 563932625 /nfs/dbraw/zinc/93/26/25/563932625.db2.gz SSDJXCHSFBUJOK-WBVHZDCISA-N 1 0 341.480 3.516 50 0 EHAARO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000060361179 563935473 /nfs/dbraw/zinc/93/54/73/563935473.db2.gz KXVJPYDRKIKDHK-HNNXBMFYSA-N 1 0 342.405 3.690 50 0 EHAARO COc1ccccc1C[NH2+]Cc1ccc(-n2ccnc2C)c(F)c1 ZINC000058030805 563936914 /nfs/dbraw/zinc/93/69/14/563936914.db2.gz ONNBHXUGNHGMBI-UHFFFAOYSA-N 1 0 325.387 3.618 50 0 EHAARO CCC[N@H+](CCOc1ccccc1F)[C@@H](C)C(=O)Nc1ccccc1 ZINC000058173125 563938972 /nfs/dbraw/zinc/93/89/72/563938972.db2.gz RKVUWSWPEZVFTJ-INIZCTEOSA-N 1 0 344.430 3.944 50 0 EHAARO O=C(c1[nH]c2ccccc2c1Cl)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263485 563940976 /nfs/dbraw/zinc/94/09/76/563940976.db2.gz WVPFXIPAUVLHKP-UHFFFAOYSA-N 1 0 345.874 3.912 50 0 EHAARO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000058289875 563941892 /nfs/dbraw/zinc/94/18/92/563941892.db2.gz BFSOMWGDNBKXCQ-UHFFFAOYSA-N 1 0 345.443 3.565 50 0 EHAARO COC(=O)CC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000058439207 563946482 /nfs/dbraw/zinc/94/64/82/563946482.db2.gz JRLHIJUVPZMSCO-UHFFFAOYSA-N 1 0 340.261 3.757 50 0 EHAARO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2C)c1 ZINC000059744602 563949306 /nfs/dbraw/zinc/94/93/06/563949306.db2.gz LVHQGMXFEAFZEM-VQTJNVASSA-N 1 0 325.452 3.880 50 0 EHAARO CCn1nc(C)c(C[NH2+]Cc2cccc(OC(F)(F)F)c2)c1C ZINC000096403760 563950025 /nfs/dbraw/zinc/95/00/25/563950025.db2.gz OHPQTXUMYILGTR-UHFFFAOYSA-N 1 0 327.350 3.708 50 0 EHAARO CC1(C)C[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C(C)(C)O1 ZINC000096477482 563954931 /nfs/dbraw/zinc/95/49/31/563954931.db2.gz NQXJJTDMJZNHMB-IBGZPJMESA-N 1 0 347.499 3.818 50 0 EHAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1cnc(-c2ccccc2C)s1 ZINC000065370474 563958398 /nfs/dbraw/zinc/95/83/98/563958398.db2.gz OZOXGBNYTJJKPL-HNNXBMFYSA-N 1 0 326.469 3.883 50 0 EHAARO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065455761 563961077 /nfs/dbraw/zinc/96/10/77/563961077.db2.gz FJNHCJPHPCOGIL-INIZCTEOSA-N 1 0 340.442 3.783 50 0 EHAARO CC(C)[C@H]1CN(C(=O)C(C)(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071771073 563965648 /nfs/dbraw/zinc/96/56/48/563965648.db2.gz VNAMFUQIMZUMHW-GOSISDBHSA-N 1 0 334.479 3.931 50 0 EHAARO FC(F)(F)CCN1CCC([NH2+]C[C@@H]2CCOc3ccccc32)CC1 ZINC000097057112 563967120 /nfs/dbraw/zinc/96/71/20/563967120.db2.gz HRGSVOWJLZWVEC-AWEZNQCLSA-N 1 0 342.405 3.559 50 0 EHAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033268803 563967537 /nfs/dbraw/zinc/96/75/37/563967537.db2.gz PVLBETGYMDAKAV-UHFFFAOYSA-N 1 0 347.871 3.740 50 0 EHAARO COc1cc(C[NH2+]Cc2c[nH]nc2C)ccc1OCc1ccccc1 ZINC000097139836 563968303 /nfs/dbraw/zinc/96/83/03/563968303.db2.gz CYACKUCUSVZGRP-UHFFFAOYSA-N 1 0 337.423 3.596 50 0 EHAARO Cc1cc(N2CCCN(c3cc(C)c4ccccc4n3)CC2)cc[nH+]1 ZINC000077343003 563969082 /nfs/dbraw/zinc/96/90/82/563969082.db2.gz NODROZRDGBIDBD-UHFFFAOYSA-N 1 0 332.451 3.963 50 0 EHAARO COCC1(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)CCC1 ZINC000077488506 563969949 /nfs/dbraw/zinc/96/99/49/563969949.db2.gz VPNYCWANHONWDG-IBGZPJMESA-N 1 0 344.499 3.619 50 0 EHAARO CC(C)C[C@@H](O)C1CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000077519314 563970191 /nfs/dbraw/zinc/97/01/91/563970191.db2.gz ZPMLMZGXENPGGU-QGZVFWFLSA-N 1 0 345.512 3.824 50 0 EHAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2ccccc2-n2cccn2)c1 ZINC000077554003 563970354 /nfs/dbraw/zinc/97/03/54/563970354.db2.gz TZZIQUAFNWDOMV-IBGZPJMESA-N 1 0 335.455 3.514 50 0 EHAARO Cc1cc[nH+]c(NC[C@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)c1 ZINC000097200776 563973273 /nfs/dbraw/zinc/97/32/73/563973273.db2.gz DAJZCBVPJQMXRR-OAHLLOKOSA-N 1 0 328.460 3.610 50 0 EHAARO CSCCC[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091306206 563975270 /nfs/dbraw/zinc/97/52/70/563975270.db2.gz NDJKUIBAFGMZOV-UHFFFAOYSA-N 1 0 346.540 3.644 50 0 EHAARO CC(C)[C@H](c1ccccn1)n1cc(C2CC[NH+](C(C)C)CC2)nn1 ZINC000092027939 563975995 /nfs/dbraw/zinc/97/59/95/563975995.db2.gz HJVQHECUJVQLRU-LJQANCHMSA-N 1 0 327.476 3.506 50 0 EHAARO COc1ccc(-c2ccccc2C[NH+]2CCOCC2)c2cccnc12 ZINC000096162692 563979864 /nfs/dbraw/zinc/97/98/64/563979864.db2.gz MQXGWJRBPGGNEC-UHFFFAOYSA-N 1 0 334.419 3.743 50 0 EHAARO Cc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000000342318 563991357 /nfs/dbraw/zinc/99/13/57/563991357.db2.gz UFCZSBDSWFKGGE-UHFFFAOYSA-N 1 0 338.451 3.998 50 0 EHAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000408519229 563993104 /nfs/dbraw/zinc/99/31/04/563993104.db2.gz YBIDRYLDGYOMOP-JMSVASOKSA-N 1 0 328.378 3.537 50 0 EHAARO Cc1c(CN(C)C(=O)CC[C@@H](C)[NH+]2CCCC2)[nH]c2ccccc12 ZINC000426433577 563995744 /nfs/dbraw/zinc/99/57/44/563995744.db2.gz GSFBJBHPQYMDRE-OAHLLOKOSA-N 1 0 327.472 3.699 50 0 EHAARO Cc1ccc(NC[C@@H]2CCN(Cc3ncc(C(C)(C)C)o3)C2)nc1 ZINC000065466237 563998223 /nfs/dbraw/zinc/99/82/23/563998223.db2.gz LLPFKIWGROQBEG-HNNXBMFYSA-N 1 0 328.460 3.610 50 0 EHAARO CC(C)[NH+](CCNc1ncnc2c3cc(F)ccc3[nH]c21)C(C)C ZINC000005192925 564000312 /nfs/dbraw/zinc/00/03/12/564000312.db2.gz DTZILHSEBPNSAU-UHFFFAOYSA-N 1 0 329.423 3.781 50 0 EHAARO C[C@@H]1CC[N@H+](Cc2csc(-c3cnn(C)c3)n2)[C@@H]2CCCC[C@@H]12 ZINC000062640478 564006968 /nfs/dbraw/zinc/00/69/68/564006968.db2.gz DOCLKQMVODZZPI-XOKHGSTOSA-N 1 0 330.501 3.944 50 0 EHAARO COc1cc(C[NH2+]Cc2ccc(Br)cc2)cc(OC)c1 ZINC000000172186 564012159 /nfs/dbraw/zinc/01/21/59/564012159.db2.gz GQZUPHMOGSYEOQ-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO CC(C)n1c2ccccc2nc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000085565232 564013404 /nfs/dbraw/zinc/01/34/04/564013404.db2.gz CRFWZNNZNBSWIO-UHFFFAOYSA-N 1 0 348.494 3.935 50 0 EHAARO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c2ccccc2n1 ZINC000018232674 564018898 /nfs/dbraw/zinc/01/88/98/564018898.db2.gz KHFFCRCYYPDZGI-UHFFFAOYSA-N 1 0 347.462 3.795 50 0 EHAARO C[C@H]([NH2+][C@@H](C)c1ccncc1)C(=O)Nc1ccccc1Br ZINC000181605281 564024329 /nfs/dbraw/zinc/02/43/29/564024329.db2.gz OZPBMGFWLFRILD-RYUDHWBXSA-N 1 0 348.244 3.522 50 0 EHAARO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000047226732 564025934 /nfs/dbraw/zinc/02/59/34/564025934.db2.gz HWKYAZIXSGNSND-NHCUHLMSSA-N 1 0 334.463 3.639 50 0 EHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 ZINC000108483351 564028271 /nfs/dbraw/zinc/02/82/71/564028271.db2.gz GADHFPKRFSFWLG-XHSDSOJGSA-N 1 0 348.512 3.575 50 0 EHAARO CCn1c(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)nc2ccccc21 ZINC000048234806 564030123 /nfs/dbraw/zinc/03/01/23/564030123.db2.gz ZRFYGMYQBPQHCX-CQSZACIVSA-N 1 0 348.450 3.792 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccco3)cc2)C1 ZINC000048310795 564030810 /nfs/dbraw/zinc/03/08/10/564030810.db2.gz VMPXSBLUFNKRIZ-HOTGVXAUSA-N 1 0 326.440 3.688 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000048368110 564031614 /nfs/dbraw/zinc/03/16/14/564031614.db2.gz ZLCRWOWGHPYBHI-CHWSQXEVSA-N 1 0 326.843 3.577 50 0 EHAARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3ccccc3Cl)cn2)n1 ZINC000048375461 564031687 /nfs/dbraw/zinc/03/16/87/564031687.db2.gz ODGFALNRNGLOEG-UHFFFAOYSA-N 1 0 326.831 3.827 50 0 EHAARO O=C(CCCc1cccs1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032399484 564036037 /nfs/dbraw/zinc/03/60/37/564036037.db2.gz DMRSNJXGAFPBBU-UHFFFAOYSA-N 1 0 342.508 3.635 50 0 EHAARO COc1ccc([C@H](O)[C@@H](C)[NH2+]C[C@@H](C)CCc2ccccc2)cc1 ZINC000222159148 564036769 /nfs/dbraw/zinc/03/67/69/564036769.db2.gz IGRHVBKHDHJSGM-CSODHUTKSA-N 1 0 327.468 3.976 50 0 EHAARO CC[C@H](NC(=O)C1([NH+]2CCCCC2)CCCCC1)c1cccnc1 ZINC000222903133 564038317 /nfs/dbraw/zinc/03/83/17/564038317.db2.gz WECHMNFCJXQKSK-SFHVURJKSA-N 1 0 329.488 3.838 50 0 EHAARO [NH3+]Cc1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cc1 ZINC000237903100 564051504 /nfs/dbraw/zinc/05/15/04/564051504.db2.gz LJDKZFFLAVSLHL-UHFFFAOYSA-N 1 0 328.378 3.873 50 0 EHAARO c1ccc(-c2n[nH]c3c2C[N@H+](Cc2ccc4c(c2)CCO4)CC3)cc1 ZINC000015065230 564053200 /nfs/dbraw/zinc/05/32/00/564053200.db2.gz ZBZLSGYJBONCGM-UHFFFAOYSA-N 1 0 331.419 3.570 50 0 EHAARO Fc1ccccc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012564523 564059690 /nfs/dbraw/zinc/05/96/90/564059690.db2.gz WFUVLALCTXTNBN-UHFFFAOYSA-N 1 0 337.398 3.803 50 0 EHAARO CO[C@]12CC[N@H+](Cc3cccc(OC4CCCC4)c3)[C@H]1C[C@H](O)CC2 ZINC000299763775 564060727 /nfs/dbraw/zinc/06/07/27/564060727.db2.gz RPSRFRJVWAILEJ-JRGCBEDISA-N 1 0 345.483 3.512 50 0 EHAARO C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cc2ccccc2s1 ZINC000184380141 564062062 /nfs/dbraw/zinc/06/20/62/564062062.db2.gz CHYRDCHEUXNNMT-LLVKDONJSA-N 1 0 341.461 3.822 50 0 EHAARO CCc1ncc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000084017758 564065838 /nfs/dbraw/zinc/06/58/38/564065838.db2.gz RZAFKJRYEPOSPB-GFCCVEGCSA-N 1 0 331.441 3.513 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc3cccc(OC)c3o2)[C@@H](CC)C1 ZINC000084736293 564069957 /nfs/dbraw/zinc/06/99/57/564069957.db2.gz LMHYLWHTRGVYSU-YOEHRIQHSA-N 1 0 344.455 3.568 50 0 EHAARO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCCc2occc21)c1ccccc1 ZINC000084771152 564070112 /nfs/dbraw/zinc/07/01/12/564070112.db2.gz GDKXGTXTHQUTMN-MJGOQNOKSA-N 1 0 326.440 3.856 50 0 EHAARO CCS[C@H]1CC[C@]1(O)C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000084811866 564070374 /nfs/dbraw/zinc/07/03/74/564070374.db2.gz PHMDZWVVBPCUJP-ZFWWWQNUSA-N 1 0 340.539 3.608 50 0 EHAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000015669119 564070392 /nfs/dbraw/zinc/07/03/92/564070392.db2.gz WQNZJGRMTLCHGO-UHFFFAOYSA-N 1 0 348.450 3.904 50 0 EHAARO CC(C)OCc1cccc(NC(=O)NCCCNc2cc[nH+]cc2)c1 ZINC000075110862 564080285 /nfs/dbraw/zinc/08/02/85/564080285.db2.gz AXCPQUAUSHTSTN-UHFFFAOYSA-N 1 0 342.443 3.630 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]CC2(c3cccc(F)c3)CCOCC2)s1 ZINC000090404392 564084372 /nfs/dbraw/zinc/08/43/72/564084372.db2.gz WHIJLXVRVWGSIS-CYBMUJFWSA-N 1 0 334.460 3.990 50 0 EHAARO CN(C)c1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000239637053 564088176 /nfs/dbraw/zinc/08/81/76/564088176.db2.gz BIOFVXQBHPEJCN-OWZKRDHZSA-N 1 0 336.483 3.755 50 0 EHAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000242389227 564088525 /nfs/dbraw/zinc/08/85/25/564088525.db2.gz ZVIKUQAKSZZNHK-CJNGLKHVSA-N 1 0 332.444 3.902 50 0 EHAARO COCc1nccc([C@@H]2CCC[N@H+](Cc3ccc(SC)cc3)C2)n1 ZINC000089420459 564090532 /nfs/dbraw/zinc/09/05/32/564090532.db2.gz UXMSTPQEIWXNHT-MRXNPFEDSA-N 1 0 343.496 3.725 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC000006588985 564092359 /nfs/dbraw/zinc/09/23/59/564092359.db2.gz BRHWMJGSMSDOEK-LJQANCHMSA-N 1 0 334.419 3.578 50 0 EHAARO CCc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)o1 ZINC000426422916 564093653 /nfs/dbraw/zinc/09/36/53/564093653.db2.gz MOJGIDMMKWMEGU-YZGWKJHDSA-N 1 0 333.472 3.781 50 0 EHAARO CCc1ccc(CNC(=O)C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000064817964 564096427 /nfs/dbraw/zinc/09/64/27/564096427.db2.gz CIYKXOKZLFMWRI-UHFFFAOYSA-N 1 0 334.463 3.698 50 0 EHAARO Cc1ccccc1CNC(=O)C1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000064818093 564096499 /nfs/dbraw/zinc/09/64/99/564096499.db2.gz ZTSINBZSNKKEDW-UHFFFAOYSA-N 1 0 338.426 3.583 50 0 EHAARO Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1C[NH+](C)C ZINC000006992853 564102684 /nfs/dbraw/zinc/10/26/84/564102684.db2.gz BLZNRTMZIBCFAN-UHFFFAOYSA-N 1 0 349.434 3.642 50 0 EHAARO c1cc(C[N@H+]2CCC[C@@H](c3nncn3Cc3ccccc3)C2)cs1 ZINC000065287790 564104270 /nfs/dbraw/zinc/10/42/70/564104270.db2.gz POMDGEBZSOSOMP-GOSISDBHSA-N 1 0 338.480 3.768 50 0 EHAARO Cn1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc21 ZINC000007314056 564106683 /nfs/dbraw/zinc/10/66/83/564106683.db2.gz WBOOBCKAOPPSNA-UHFFFAOYSA-N 1 0 347.462 3.704 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2cc3ccc(Cl)cc3[nH]2)C2CC2)CC1 ZINC000065578942 564107732 /nfs/dbraw/zinc/10/77/32/564107732.db2.gz UTEKLBFJBKTPOJ-UHFFFAOYSA-N 1 0 345.874 3.910 50 0 EHAARO CC1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000007446968 564108588 /nfs/dbraw/zinc/10/85/88/564108588.db2.gz DIDQYHNMTIVQJB-UHFFFAOYSA-N 1 0 338.451 3.936 50 0 EHAARO Cc1cccc2c(NCc3ccccc3NS(C)(=O)=O)cc[nH+]c12 ZINC000089689034 564113113 /nfs/dbraw/zinc/11/31/13/564113113.db2.gz GGMINNNUBNYOIW-UHFFFAOYSA-N 1 0 341.436 3.527 50 0 EHAARO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000089807082 564113956 /nfs/dbraw/zinc/11/39/56/564113956.db2.gz FLTHDOPLLWKQCW-SFHVURJKSA-N 1 0 344.842 3.815 50 0 EHAARO O=C(Nc1ccc(Nc2ccccc2)nc1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000076094932 564115711 /nfs/dbraw/zinc/11/57/11/564115711.db2.gz RYFWCESXZLRZSE-MAUKXSAKSA-N 1 0 336.439 3.638 50 0 EHAARO Clc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000237679444 564117763 /nfs/dbraw/zinc/11/77/63/564117763.db2.gz WXKUPMLRLKMHHV-UHFFFAOYSA-N 1 0 337.254 3.542 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCO[C@H]2C(C)C)c(C)c1 ZINC000252486207 564119327 /nfs/dbraw/zinc/11/93/27/564119327.db2.gz GPJVJFNJGFVUFF-QKLQHJQFSA-N 1 0 332.488 3.671 50 0 EHAARO Cc1nn(C(C)(C)C)c(C)c1CN1CCOc2ccc(F)cc2C1 ZINC000252499873 564119722 /nfs/dbraw/zinc/11/97/22/564119722.db2.gz SHOSBJJXBQDGEO-UHFFFAOYSA-N 1 0 331.435 3.789 50 0 EHAARO Cc1nc(-c2cccc(C(=O)O[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cs1 ZINC000252502975 564119865 /nfs/dbraw/zinc/11/98/65/564119865.db2.gz UWDUJTYKGHHOSE-IRXDYDNUSA-N 1 0 342.464 3.902 50 0 EHAARO CSc1nnc(CCCNc2cc(C)cc[nH+]2)n1C1CCCC1 ZINC000195539154 564123684 /nfs/dbraw/zinc/12/36/84/564123684.db2.gz OPFIGYZPIDPMBV-UHFFFAOYSA-N 1 0 331.489 3.863 50 0 EHAARO C[C@@H]([NH2+]CC[S@](=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000195558324 564123764 /nfs/dbraw/zinc/12/37/64/564123764.db2.gz OYYAXAILFKUAOA-FIKIJFGZSA-N 1 0 343.279 3.847 50 0 EHAARO Cc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000253418608 564130890 /nfs/dbraw/zinc/13/08/90/564130890.db2.gz XPBSDKRARGPLKH-CQSZACIVSA-N 1 0 348.397 3.506 50 0 EHAARO CN(C(=O)c1ccc(-c2cccc3cccnc32)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000584893601 564131601 /nfs/dbraw/zinc/13/16/01/564131601.db2.gz WPLUMNLPBNYQFI-LJQANCHMSA-N 1 0 345.446 3.678 50 0 EHAARO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccoc2Cl)cc1 ZINC000225497077 564135355 /nfs/dbraw/zinc/13/53/55/564135355.db2.gz XRNKOXCHRFBUNI-INIZCTEOSA-N 1 0 348.830 3.509 50 0 EHAARO CN(C)c1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000013143407 564136092 /nfs/dbraw/zinc/13/60/92/564136092.db2.gz RBXMSAUXWFTAFL-MOPGFXCFSA-N 1 0 342.870 3.934 50 0 EHAARO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cncc(F)c3)CC2)cs1 ZINC000095422300 564140047 /nfs/dbraw/zinc/14/00/47/564140047.db2.gz MQKJYZHMSLVJCE-CYBMUJFWSA-N 1 0 348.491 3.548 50 0 EHAARO Cc1ccccc1[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)C1CC1 ZINC000095462807 564140888 /nfs/dbraw/zinc/14/08/88/564140888.db2.gz FFEJNZDWAMYHKT-OXJNMPFZSA-N 1 0 343.492 3.898 50 0 EHAARO CCCS(=O)(=O)Oc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000095469420 564141205 /nfs/dbraw/zinc/14/12/05/564141205.db2.gz HXIKRRRBJKULGM-OAHLLOKOSA-N 1 0 333.453 3.656 50 0 EHAARO CSC[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000095969759 564143417 /nfs/dbraw/zinc/14/34/17/564143417.db2.gz BFSIVHGTBAEFAP-NSHDSACASA-N 1 0 334.407 3.717 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@H](C)C[C@@H](O)c3ccccc3)CC2)n1 ZINC000095978062 564143627 /nfs/dbraw/zinc/14/36/27/564143627.db2.gz NPIMJQACTMELJZ-RDTXWAMCSA-N 1 0 345.512 3.522 50 0 EHAARO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(NC(=O)C4CC4)cc3)cn21 ZINC000095984460 564143830 /nfs/dbraw/zinc/14/38/30/564143830.db2.gz DBMYQWSBYONVOI-OAHLLOKOSA-N 1 0 348.450 3.842 50 0 EHAARO CC(C)COc1ccc(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000096003645 564144446 /nfs/dbraw/zinc/14/44/46/564144446.db2.gz LYBVSHZMABSEBV-RDPSFJRHSA-N 1 0 345.508 3.931 50 0 EHAARO CC(C)c1cccc(C[NH+]2CCC(c3nncn3C(C)C)CC2)n1 ZINC000096007819 564144593 /nfs/dbraw/zinc/14/45/93/564144593.db2.gz CAXMKXJMUFGZIK-UHFFFAOYSA-N 1 0 327.476 3.757 50 0 EHAARO O=C(CC/C=C/c1ccccc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000096414293 564147683 /nfs/dbraw/zinc/14/76/83/564147683.db2.gz KHGYWCLMNNCZKG-ONNFQVAWSA-N 1 0 349.478 3.656 50 0 EHAARO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1nccs1 ZINC000096433650 564147986 /nfs/dbraw/zinc/14/79/86/564147986.db2.gz GTADGBPXXBLSAX-MRXNPFEDSA-N 1 0 344.484 3.519 50 0 EHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2cccnc2)cc1 ZINC000031077498 564158665 /nfs/dbraw/zinc/15/86/65/564158665.db2.gz OXLIYNPTJOJDRS-UHFFFAOYSA-N 1 0 345.446 3.740 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(OC)c1)c1ccsc1 ZINC000031987648 564160348 /nfs/dbraw/zinc/16/03/48/564160348.db2.gz MXTBPJDMVSLYSZ-QGZVFWFLSA-N 1 0 332.469 3.570 50 0 EHAARO Cc1cc(C)n(-c2ccccc2C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)n1 ZINC000670457651 564160515 /nfs/dbraw/zinc/16/05/15/564160515.db2.gz NUUTUOCFSXIPNM-QFIPXVFZSA-N 1 0 347.462 3.583 50 0 EHAARO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc4ccccc4[nH]c3=O)c2C1 ZINC000066761140 564164001 /nfs/dbraw/zinc/16/40/01/564164001.db2.gz ZUWPJCQZSFWQDN-UHFFFAOYSA-N 1 0 347.418 3.506 50 0 EHAARO Oc1ccccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000008780140 564167406 /nfs/dbraw/zinc/16/74/06/564167406.db2.gz AOONJCYPXAMVSH-UHFFFAOYSA-N 1 0 336.357 3.733 50 0 EHAARO COCCOc1cccc(C[NH2+]Cc2cc3cccc(OC)c3o2)c1 ZINC000069444159 564169523 /nfs/dbraw/zinc/16/95/23/564169523.db2.gz ZAWCABFIKLAZOF-UHFFFAOYSA-N 1 0 341.407 3.756 50 0 EHAARO Cc1ccccc1[C@H]1CC[N@H+](Cc2csc(-c3ncccn3)n2)C1 ZINC000069625995 564171026 /nfs/dbraw/zinc/17/10/26/564171026.db2.gz ZMVKBDWLRLBTSP-HNNXBMFYSA-N 1 0 336.464 3.898 50 0 EHAARO COc1ccc(OC)c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000069814486 564172364 /nfs/dbraw/zinc/17/23/64/564172364.db2.gz GVYFONBNXFASKS-UHFFFAOYSA-N 1 0 345.414 3.638 50 0 EHAARO Cn1c2ccccc2nc1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000069844759 564172482 /nfs/dbraw/zinc/17/24/82/564172482.db2.gz MFVISKRKIGBYPQ-QFIPXVFZSA-N 1 0 349.478 3.561 50 0 EHAARO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000009647245 564174352 /nfs/dbraw/zinc/17/43/52/564174352.db2.gz HPZFWZRVZYQFJM-IRXDYDNUSA-N 1 0 329.488 3.736 50 0 EHAARO O=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1C(F)(F)F ZINC000025011141 568418365 /nfs/dbraw/zinc/41/83/65/568418365.db2.gz JNQPPZNJOHXCFW-UHFFFAOYSA-N 1 0 332.285 3.538 50 0 EHAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2sc3ccccc3c2Cl)C1 ZINC000254913654 1015011122 /nfs/dbraw/zinc/01/11/22/1015011122.db2.gz WLPRPYZTWFYQKA-DGMVEKRQSA-N 1 0 334.872 3.636 50 0 EHAARO CC(C)CC[N@@H+]1CCC[C@H](COc2ccccc2C(=O)NC2CC2)C1 ZINC000169765260 1032621236 /nfs/dbraw/zinc/62/12/36/1032621236.db2.gz KXQCLPARRBQCPB-KRWDZBQOSA-N 1 0 344.499 3.716 50 0 EHAARO FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000792939768 1030495345 /nfs/dbraw/zinc/49/53/45/1030495345.db2.gz IGCXHSGEPSCIEJ-INIZCTEOSA-N 1 0 329.362 3.587 50 0 EHAARO O=C(/C=C\c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000060391749 1034467103 /nfs/dbraw/zinc/46/71/03/1034467103.db2.gz UGGYTTRVSNBPIG-CZEHHVHDSA-N 1 0 338.476 3.619 50 0 EHAARO Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)s1 ZINC000014070472 1038211579 /nfs/dbraw/zinc/21/15/79/1038211579.db2.gz FEHXTNHEMQFCGT-RMKNXTFCSA-N 1 0 340.492 3.836 50 0 EHAARO COc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)CC1 ZINC000257181217 1038413206 /nfs/dbraw/zinc/41/32/06/1038413206.db2.gz FGSPJWUWDDDXTO-SFHVURJKSA-N 1 0 344.499 3.669 50 0 EHAARO O=C1c2ccccc2CCC12CC[NH+](Cc1ccc3c[nH]nc3c1)CC2 ZINC000888094400 1043197315 /nfs/dbraw/zinc/19/73/15/1043197315.db2.gz UXIIMDUSODEXML-UHFFFAOYSA-N 1 0 345.446 3.974 50 0 EHAARO O=C(/C=C/c1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000032763387 1122092908 /nfs/dbraw/zinc/09/29/08/1122092908.db2.gz HMUIZXWQXBUOQH-SXSDINLZSA-N 1 0 326.465 3.715 50 0 EHAARO Cn1cccc1C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000268116353 1122250603 /nfs/dbraw/zinc/25/06/03/1122250603.db2.gz KRXHJRBOYUPIHU-UHFFFAOYSA-N 1 0 341.455 3.613 50 0 EHAARO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000092707656 1125156975 /nfs/dbraw/zinc/15/69/75/1125156975.db2.gz QILISPQYWDWSIS-KRWDZBQOSA-N 1 0 344.499 3.528 50 0 EHAARO C[N@H+](Cc1cnc(-c2cccc3ccccc32)nc1)CC1(CO)CCC1 ZINC000828686017 1131442846 /nfs/dbraw/zinc/44/28/46/1131442846.db2.gz WJLPPGWBCOAXDM-UHFFFAOYSA-N 1 0 347.462 3.891 50 0 EHAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000575547437 1131572585 /nfs/dbraw/zinc/57/25/85/1131572585.db2.gz BTQZVGLXHKEAPE-LJQANCHMSA-N 1 0 325.456 3.686 50 0 EHAARO CC(C)C[N@H+](Cc1cccnc1)C1CN(C(=O)CCC2CCCC2)C1 ZINC000581776379 1132352372 /nfs/dbraw/zinc/35/23/72/1132352372.db2.gz NNFZXFMHNCJYFU-UHFFFAOYSA-N 1 0 343.515 3.721 50 0 EHAARO COc1ccc(NC(=O)N2CCCCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000581788043 1132356801 /nfs/dbraw/zinc/35/68/01/1132356801.db2.gz QFGCUKCUAHPXHR-KRWDZBQOSA-N 1 0 331.460 3.568 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581806261 1132368874 /nfs/dbraw/zinc/36/88/74/1132368874.db2.gz NREPWJZSRTWAES-KRWDZBQOSA-N 1 0 330.476 3.748 50 0 EHAARO Cc1c[nH+]c(C)n1C[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000581808392 1132371207 /nfs/dbraw/zinc/37/12/07/1132371207.db2.gz SZUDQLYNGCSCDP-HNNXBMFYSA-N 1 0 330.407 3.583 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000581807851 1132371349 /nfs/dbraw/zinc/37/13/49/1132371349.db2.gz CCKUIWJURGVFRZ-UHFFFAOYSA-N 1 0 329.488 3.888 50 0 EHAARO Cc1cccc(OCC(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000047452177 1133734663 /nfs/dbraw/zinc/73/46/63/1133734663.db2.gz PNUXGSZZAOKMAH-UHFFFAOYSA-N 1 0 338.451 3.917 50 0 EHAARO Cc1cc(O[C@H](C)C(=O)Nc2cccc3c2C[NH2+]CC3)ccc1Cl ZINC000585088576 1136989286 /nfs/dbraw/zinc/98/92/86/1136989286.db2.gz ZRVKJPXQWHHFJX-CYBMUJFWSA-N 1 0 344.842 3.700 50 0 EHAARO CO[C@@](C)(c1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC000585133618 1137021714 /nfs/dbraw/zinc/02/17/14/1137021714.db2.gz NMPNAQWVCVMADP-HXUWFJFHSA-N 1 0 337.423 3.708 50 0 EHAARO CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000192613704 1137456248 /nfs/dbraw/zinc/45/62/48/1137456248.db2.gz WPICEEMRXJGZEB-CYBMUJFWSA-N 1 0 334.510 3.605 50 0 EHAARO COc1ccc(OC)c(C[NH2+][C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000952860117 1137482625 /nfs/dbraw/zinc/48/26/25/1137482625.db2.gz FEOULVFRWQEAHJ-MRXNPFEDSA-N 1 0 346.496 3.520 50 0 EHAARO COc1ccc2[nH]c(C[NH2+]Cc3nc4cc(C)ccc4[nH]3)c(C)c2c1 ZINC000952869481 1137482980 /nfs/dbraw/zinc/48/29/80/1137482980.db2.gz LOCCEGXQHIUEHT-UHFFFAOYSA-N 1 0 334.423 3.959 50 0 EHAARO C[NH+]1CCC(n2ncc3cc([C@@H]4C[C@H]4c4ccccc4)cnc32)CC1 ZINC000952880516 1137483163 /nfs/dbraw/zinc/48/31/63/1137483163.db2.gz VRHNFKNPCWGFNV-PMACEKPBSA-N 1 0 332.451 3.969 50 0 EHAARO O=C(Cc1c(Cl)cccc1Cl)OCCNc1ccccn1 ZINC000952876749 1137483211 /nfs/dbraw/zinc/48/32/11/1137483211.db2.gz VYYCAPYSQBJMHR-UHFFFAOYSA-N 1 0 325.195 3.586 50 0 EHAARO CN(Cc1ccc(F)c(F)c1F)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000952865697 1137483848 /nfs/dbraw/zinc/48/38/48/1137483848.db2.gz WJJUMCDJKCNSFE-INIZCTEOSA-N 1 0 334.385 3.592 50 0 EHAARO Cc1cc(C)n(-c2cccc(C[N@H+](C)CC[C@@H]3CCCCO3)c2)n1 ZINC000952991546 1137485121 /nfs/dbraw/zinc/48/51/21/1137485121.db2.gz ZUWJUXAPRJBSDC-FQEVSTJZSA-N 1 0 327.472 3.880 50 0 EHAARO C[C@@H](C[N@H+](C)Cc1ccc(C2CCCCC2)s1)N1CCOCC1 ZINC000952989174 1137485862 /nfs/dbraw/zinc/48/58/62/1137485862.db2.gz VNXHLBQOEGIKJN-INIZCTEOSA-N 1 0 336.545 3.948 50 0 EHAARO CC1CCC([NH+]2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000115568086 1141285051 /nfs/dbraw/zinc/28/50/51/1141285051.db2.gz QEFSSCZLLOQIPL-XUJQIHCRSA-N 1 0 336.907 3.570 50 0 EHAARO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000052803506 214147089 /nfs/dbraw/zinc/14/70/89/214147089.db2.gz YULFTGLMJRFNCG-MSOLQXFVSA-N 1 0 326.465 3.905 50 0 EHAARO C[C@H](c1ccc(C(=O)NCCCOC2CCCC2)o1)[NH+]1CCCCC1 ZINC000097679934 219046779 /nfs/dbraw/zinc/04/67/79/219046779.db2.gz LMSHYMVPHOPZQY-MRXNPFEDSA-N 1 0 348.487 3.906 50 0 EHAARO CC(=O)c1c[nH]c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1 ZINC000053720611 214195168 /nfs/dbraw/zinc/19/51/68/214195168.db2.gz SZPVQUAEDFDXQO-CQSZACIVSA-N 1 0 339.439 3.844 50 0 EHAARO CCCCC(=O)Nc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000055166239 214281927 /nfs/dbraw/zinc/28/19/27/214281927.db2.gz NJTOCDAMRJYISW-INIZCTEOSA-N 1 0 345.487 3.876 50 0 EHAARO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000055245209 214295529 /nfs/dbraw/zinc/29/55/29/214295529.db2.gz VVJYYNCQQBVSPE-SFHVURJKSA-N 1 0 331.460 3.913 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2c(C)cc(C)c(CO)c2C)c1 ZINC000055243760 214293373 /nfs/dbraw/zinc/29/33/73/214293373.db2.gz AZJFLKUPZNLANM-QGZVFWFLSA-N 1 0 326.484 3.871 50 0 EHAARO O=C(C1CC[NH+](C[C@H]2CC=CCC2)CC1)N1CCc2ccccc2C1 ZINC000004613902 210231472 /nfs/dbraw/zinc/23/14/72/210231472.db2.gz NKHWPZPXBYLZHZ-SFHVURJKSA-N 1 0 338.495 3.640 50 0 EHAARO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000049581329 214019983 /nfs/dbraw/zinc/01/99/83/214019983.db2.gz PPUJVWBPSGBIEB-ZWKOTPCHSA-N 1 0 340.467 3.572 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000047038646 213829146 /nfs/dbraw/zinc/82/91/46/213829146.db2.gz LDYAAIHAQWIREY-KBPBESRZSA-N 1 0 340.870 3.967 50 0 EHAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000004030555 210104286 /nfs/dbraw/zinc/10/42/86/210104286.db2.gz MHODNBZBPRFJBM-SFHVURJKSA-N 1 0 332.532 3.613 50 0 EHAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000102142591 219187393 /nfs/dbraw/zinc/18/73/93/219187393.db2.gz LVMKYOKMUDTBHE-ZSHCYNCHSA-N 1 0 332.831 3.791 50 0 EHAARO CCCCOc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000003318098 210005436 /nfs/dbraw/zinc/00/54/36/210005436.db2.gz PKCNIWQCDLKKEE-HXUWFJFHSA-N 1 0 340.467 3.898 50 0 EHAARO CC[C@H](O)C[N@@H+]1CCOc2c(cc(-c3ccc(C)s3)cc2OC)C1 ZINC000067696227 215189017 /nfs/dbraw/zinc/18/90/17/215189017.db2.gz UXCRMKHNMFAZGK-INIZCTEOSA-N 1 0 347.480 3.697 50 0 EHAARO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000067947396 215255871 /nfs/dbraw/zinc/25/58/71/215255871.db2.gz CKZNLEACGLLRNA-UHFFFAOYSA-N 1 0 348.450 3.860 50 0 EHAARO O=C(NC[C@@H]1CCCC[NH2+]1)OCC1c2ccccc2-c2ccccc21 ZINC000002585705 209871034 /nfs/dbraw/zinc/87/10/34/209871034.db2.gz FJMWJNIFDZWLIV-HNNXBMFYSA-N 1 0 336.435 3.667 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000069371255 215390856 /nfs/dbraw/zinc/39/08/56/215390856.db2.gz ABDBGMJAFZSDLD-MRXNPFEDSA-N 1 0 344.528 3.936 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000001778458 209792537 /nfs/dbraw/zinc/79/25/37/209792537.db2.gz XOKSNQDXZYSYLB-ZDUSSCGKSA-N 1 0 332.517 3.960 50 0 EHAARO CC[NH+](CC)CC1CCN(C(=O)Nc2nc3ccccc3s2)CC1 ZINC000040152965 213274977 /nfs/dbraw/zinc/27/49/77/213274977.db2.gz YQSZHZYTPXQFNW-UHFFFAOYSA-N 1 0 346.500 3.882 50 0 EHAARO COc1cccc(-c2nc(C[NH2+]CCc3cccnc3)cs2)c1 ZINC000070007957 215659485 /nfs/dbraw/zinc/65/94/85/215659485.db2.gz JLXLVKNUVMDRID-UHFFFAOYSA-N 1 0 325.437 3.546 50 0 EHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2ccccc2cc1O ZINC000036664141 213108393 /nfs/dbraw/zinc/10/83/93/213108393.db2.gz GBXJKLIBJXEMSO-LJQANCHMSA-N 1 0 346.430 3.550 50 0 EHAARO CC(C)(C)OC[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036096855 213063711 /nfs/dbraw/zinc/06/37/11/213063711.db2.gz XUWOKZBXRVHUMA-FQEVSTJZSA-N 1 0 327.468 3.865 50 0 EHAARO Cc1c(Cl)cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000072135217 216023662 /nfs/dbraw/zinc/02/36/62/216023662.db2.gz QEAXUWKVQACJCO-ZDUSSCGKSA-N 1 0 329.271 3.858 50 0 EHAARO COc1ccnc(C[N@@H+]2CCC[C@H](CCc3ccccc3)C2)c1OC ZINC000072144581 216031157 /nfs/dbraw/zinc/03/11/57/216031157.db2.gz LVSMRCUAMHXESH-GOSISDBHSA-N 1 0 340.467 3.944 50 0 EHAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000072146808 216034069 /nfs/dbraw/zinc/03/40/69/216034069.db2.gz ZRNYPUYMSSQXAL-UHFFFAOYSA-N 1 0 337.419 3.538 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H](COc3ccc(F)cc3)C2)ccc1O ZINC000072152998 216042654 /nfs/dbraw/zinc/04/26/54/216042654.db2.gz GACWKHPVVFQUIJ-INIZCTEOSA-N 1 0 345.414 3.831 50 0 EHAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(Cc3ncccc3C)CC2)o1 ZINC000072157327 216047303 /nfs/dbraw/zinc/04/73/03/216047303.db2.gz QYMOZIMUPSIZFK-KRWDZBQOSA-N 1 0 327.472 3.603 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)cc1=O ZINC000072165586 216053937 /nfs/dbraw/zinc/05/39/37/216053937.db2.gz FGQRADUSWQMHNK-HNNXBMFYSA-N 1 0 344.430 3.780 50 0 EHAARO COc1ccc(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1F ZINC000000340671 209542082 /nfs/dbraw/zinc/54/20/82/209542082.db2.gz RYNUITJDBMNRMJ-QGZVFWFLSA-N 1 0 327.399 3.897 50 0 EHAARO CC(C)c1nc([C@@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)no1 ZINC000072299823 216138255 /nfs/dbraw/zinc/13/82/55/216138255.db2.gz VYYNQIYXPRTONB-QGZVFWFLSA-N 1 0 341.455 3.550 50 0 EHAARO O=C(C[NH2+]C1CCCCCC1)Nc1cccc(Br)c1 ZINC000037387726 213143178 /nfs/dbraw/zinc/14/31/78/213143178.db2.gz ZABKENPCBUUNMN-UHFFFAOYSA-N 1 0 325.250 3.700 50 0 EHAARO CN1C[C@@]2(CC[N@H+](Cc3cccc4c5ccccc5oc43)C2)OC1=O ZINC000072409630 216201008 /nfs/dbraw/zinc/20/10/08/216201008.db2.gz SZNAKMBWYYKKCO-HXUWFJFHSA-N 1 0 336.391 3.613 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@@H](Nc3cnc4ccccc4n3)C2)c1 ZINC000072406937 216198688 /nfs/dbraw/zinc/19/86/88/216198688.db2.gz CUXLDQFPCQLEGB-QGZVFWFLSA-N 1 0 348.450 3.715 50 0 EHAARO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)CCc1cnn(C)c1 ZINC000072473504 216249679 /nfs/dbraw/zinc/24/96/79/216249679.db2.gz ZVPYRAGOELMVPQ-UHFFFAOYSA-N 1 0 344.846 3.711 50 0 EHAARO CC(C)Nc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072463141 216245830 /nfs/dbraw/zinc/24/58/30/216245830.db2.gz KOWFEOWCTLPZAD-UHFFFAOYSA-N 1 0 330.863 3.620 50 0 EHAARO C[C@@H](CO)[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000072475114 216252876 /nfs/dbraw/zinc/25/28/76/216252876.db2.gz MYIWPIFYWJSVJZ-INIZCTEOSA-N 1 0 341.499 3.947 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2cc1O)c1cccs1 ZINC000023819367 212396362 /nfs/dbraw/zinc/39/63/62/212396362.db2.gz RBNALHWAOCMDFM-MRXNPFEDSA-N 1 0 340.448 3.640 50 0 EHAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](CCCn3cccn3)C2)cc1 ZINC000023379716 212371658 /nfs/dbraw/zinc/37/16/58/212371658.db2.gz MKEVMNOWKOAPRB-HXUWFJFHSA-N 1 0 326.488 3.973 50 0 EHAARO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000023038270 212343094 /nfs/dbraw/zinc/34/30/94/212343094.db2.gz DEIDWBIHSSDVDS-UHFFFAOYSA-N 1 0 348.233 3.633 50 0 EHAARO CC(C)n1nccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022290492 212288631 /nfs/dbraw/zinc/28/86/31/212288631.db2.gz NMKBOMSCRIWGSZ-UHFFFAOYSA-N 1 0 326.444 3.702 50 0 EHAARO CC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000195558538 241008108 /nfs/dbraw/zinc/00/81/08/241008108.db2.gz HFFBJQXETUQTFZ-IRXDYDNUSA-N 1 0 333.476 3.912 50 0 EHAARO CSc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000241776861 243000110 /nfs/dbraw/zinc/00/01/10/243000110.db2.gz RTEFOPISLSIBHI-ZBFHGGJFSA-N 1 0 333.501 3.665 50 0 EHAARO CCn1nc(C)c([C@H](C)NC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000243892831 243029236 /nfs/dbraw/zinc/02/92/36/243029236.db2.gz ALTFUAMAKTYVPX-ZDUSSCGKSA-N 1 0 348.535 3.644 50 0 EHAARO OCC[C@@H]1CN(Cc2ccccc2Cl)CC[N@@H+]1C1CCCCC1 ZINC000020784049 212171357 /nfs/dbraw/zinc/17/13/57/212171357.db2.gz MECDPAKQGGQAQO-GOSISDBHSA-N 1 0 336.907 3.541 50 0 EHAARO O=C(CC[N@H+]1CCCC[C@H]1c1cccc(F)c1)Nc1nccs1 ZINC000244735079 243072953 /nfs/dbraw/zinc/07/29/53/243072953.db2.gz NSTHEKUFJZIFPG-HNNXBMFYSA-N 1 0 333.432 3.838 50 0 EHAARO CN(C)CC[NH2+]CCCCOc1ccc(Cc2ccccc2)cc1 ZINC000020418746 212126748 /nfs/dbraw/zinc/12/67/48/212126748.db2.gz XMYLAJNKAKRAJE-UHFFFAOYSA-N 1 0 326.484 3.588 50 0 EHAARO Cc1cc(N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)cc[nH+]1 ZINC000077407990 216898124 /nfs/dbraw/zinc/89/81/24/216898124.db2.gz MEYJEJMEARGQIB-UHFFFAOYSA-N 1 0 345.450 3.564 50 0 EHAARO Clc1ccccc1CNC1CC[NH+](CCc2ccncc2)CC1 ZINC000078394252 217046998 /nfs/dbraw/zinc/04/69/98/217046998.db2.gz QBRPXQGLHCTVNL-UHFFFAOYSA-N 1 0 329.875 3.532 50 0 EHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Oc3ccccc3)o2)[C@H](C)C1 ZINC000079013294 217173716 /nfs/dbraw/zinc/17/37/16/217173716.db2.gz FTLZEAPBZLREGZ-WBVHZDCISA-N 1 0 342.439 3.874 50 0 EHAARO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000079099640 217192692 /nfs/dbraw/zinc/19/26/92/217192692.db2.gz ZZVSTCDPBUPIKY-ZDUSSCGKSA-N 1 0 332.831 3.547 50 0 EHAARO Fc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)co2)cc1F ZINC000080961334 217344101 /nfs/dbraw/zinc/34/41/01/217344101.db2.gz UGPIMUXLEUAYRV-CYBMUJFWSA-N 1 0 344.365 3.723 50 0 EHAARO CC(C)[C@H](CNc1ncnc2sc3c(c21)CCC3)[NH+]1CCCC1 ZINC000012747394 211444124 /nfs/dbraw/zinc/44/41/24/211444124.db2.gz ZKJKZVDJGUWHIR-AWEZNQCLSA-N 1 0 330.501 3.712 50 0 EHAARO CC1CC[NH+](C[C@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000012420049 211375435 /nfs/dbraw/zinc/37/54/35/211375435.db2.gz PMFOZZRBIOJXCT-IBGZPJMESA-N 1 0 325.452 3.825 50 0 EHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1C[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000012280753 211332993 /nfs/dbraw/zinc/33/29/93/211332993.db2.gz UQVRBEAGRHMJEP-JFRXWTBNSA-N 1 0 342.458 3.509 50 0 EHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](C[C@H](C)CC)CC1 ZINC000012201174 211319223 /nfs/dbraw/zinc/31/92/23/211319223.db2.gz SGRJOSYMLHNEBW-QGZVFWFLSA-N 1 0 347.499 3.929 50 0 EHAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000011998542 211277102 /nfs/dbraw/zinc/27/71/02/211277102.db2.gz BQMSMHLQTAWPNK-PEAOBZDDSA-N 1 0 349.446 3.521 50 0 EHAARO OC[C@]1(CC2CC2)CCC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000091390723 218000115 /nfs/dbraw/zinc/00/01/15/218000115.db2.gz DIKZIKNVXAATJE-FQEVSTJZSA-N 1 0 331.504 3.763 50 0 EHAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2ccccn2)C1 ZINC000011937298 211273134 /nfs/dbraw/zinc/27/31/34/211273134.db2.gz QVBIECRXUPVDQP-IBGZPJMESA-N 1 0 330.859 3.552 50 0 EHAARO Cc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)cc(C)[nH+]1 ZINC000091440188 218005889 /nfs/dbraw/zinc/00/58/89/218005889.db2.gz UIRALBPPLUHFKM-UHFFFAOYSA-N 1 0 347.466 3.722 50 0 EHAARO Cc1ccc([C@@H](Cn2cc(-c3cccc(F)c3C)nn2)[NH+](C)C)o1 ZINC000091440180 218006160 /nfs/dbraw/zinc/00/61/60/218006160.db2.gz CDHCAZBGFKVEMV-QGZVFWFLSA-N 1 0 328.391 3.597 50 0 EHAARO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000011820593 211251387 /nfs/dbraw/zinc/25/13/87/211251387.db2.gz CESJQVQRNHMGJT-SFHVURJKSA-N 1 0 337.423 3.687 50 0 EHAARO O=C1[C@@H](c2ccccc2)CC2(CC[NH+](CC3CC3)CC2)CN1C1CC1 ZINC000091713176 218052268 /nfs/dbraw/zinc/05/22/68/218052268.db2.gz KKJIXHQMVSUZBA-HXUWFJFHSA-N 1 0 338.495 3.657 50 0 EHAARO COCc1nc2cccnc2n1C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000011789859 211248632 /nfs/dbraw/zinc/24/86/32/211248632.db2.gz HXYXQGPISOBKAV-INIZCTEOSA-N 1 0 340.471 3.571 50 0 EHAARO CC1(C)C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@]1(C)O ZINC000091997826 218100813 /nfs/dbraw/zinc/10/08/13/218100813.db2.gz AHKRYNAAPOIRDS-NRFANRHFSA-N 1 0 340.467 3.644 50 0 EHAARO COc1ccc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010330369 211164293 /nfs/dbraw/zinc/16/42/93/211164293.db2.gz PXVMZDIDQYFLGJ-NRFANRHFSA-N 1 0 348.446 3.881 50 0 EHAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C ZINC000009942196 211134532 /nfs/dbraw/zinc/13/45/32/211134532.db2.gz DSTQZFBCCXYGCY-UHFFFAOYSA-N 1 0 328.460 3.688 50 0 EHAARO O[C@H](c1ccc(F)cc1)C1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093280052 218210230 /nfs/dbraw/zinc/21/02/30/218210230.db2.gz GIJQBZVIOHXAAV-HXUWFJFHSA-N 1 0 339.414 3.648 50 0 EHAARO CC(C)CC[C@@]1(CC(=O)NCCC[NH+](C)C)CCO[C@@H](C(C)C)C1 ZINC000009577191 211104670 /nfs/dbraw/zinc/10/46/70/211104670.db2.gz YHGRPYNJENYRNB-UYAOXDASSA-N 1 0 340.552 3.702 50 0 EHAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccc(OC)cc23)ccc1O ZINC000009482333 211091060 /nfs/dbraw/zinc/09/10/60/211091060.db2.gz ATVMQJAPGGVHOX-UHFFFAOYSA-N 1 0 340.423 3.613 50 0 EHAARO COC(=O)c1ccc(C[N@H+](C)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000095349854 218283844 /nfs/dbraw/zinc/28/38/44/218283844.db2.gz JWQHYMQCKHHPFO-UHFFFAOYSA-N 1 0 337.423 3.529 50 0 EHAARO Clc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)s1 ZINC000095361825 218294494 /nfs/dbraw/zinc/29/44/94/218294494.db2.gz XJJHFIKTEBHXMT-JKSUJKDBSA-N 1 0 347.915 3.893 50 0 EHAARO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(C)n1C(C)C ZINC000008778387 211006205 /nfs/dbraw/zinc/00/62/05/211006205.db2.gz KSPYJPLPQIXHTE-GOSISDBHSA-N 1 0 343.471 3.846 50 0 EHAARO O=C(c1ccco1)N1CCC([NH2+][C@H](C2CC2)C2CCCCC2)CC1 ZINC000095427083 218369147 /nfs/dbraw/zinc/36/91/47/218369147.db2.gz XGUXPBMCULJMRS-IBGZPJMESA-N 1 0 330.472 3.833 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@](C)(O)c2cccs2)c(C)c1 ZINC000095422986 218364901 /nfs/dbraw/zinc/36/49/01/218364901.db2.gz LKUMSAXESHRGGK-KXBFYZLASA-N 1 0 346.496 3.579 50 0 EHAARO c1cnc(N2CCCCC2)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000095444366 218388803 /nfs/dbraw/zinc/38/88/03/218388803.db2.gz RNWPMAGRAFYJCX-OTWHNJEPSA-N 1 0 341.499 3.509 50 0 EHAARO Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447623 218391779 /nfs/dbraw/zinc/39/17/79/218391779.db2.gz IABCQJMIUGTWTH-SUMWQHHRSA-N 1 0 349.837 3.538 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000005044954 210373357 /nfs/dbraw/zinc/37/33/57/210373357.db2.gz VTOTZHZPJYFTJL-LHZZTNLPSA-N 1 0 349.559 3.948 50 0 EHAARO Cn1cc(C[NH2+]CCc2ccccn2)c(-c2cc3ccccc3o2)n1 ZINC000097159777 218977116 /nfs/dbraw/zinc/97/71/16/218977116.db2.gz JPUKJGNNUMAJLO-UHFFFAOYSA-N 1 0 332.407 3.561 50 0 EHAARO Cc1nc2[nH]nc(N)c2c(C)c1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000426430920 257968657 /nfs/dbraw/zinc/96/86/57/257968657.db2.gz ANVCKXUHFRNJIX-AWEZNQCLSA-N 1 0 335.455 3.981 50 0 EHAARO O=C1[C@@H]2CCCC[C@@H]2[C@H]([NH2+]CCc2ccccc2)N1Cc1ccccc1 ZINC000334163099 258015848 /nfs/dbraw/zinc/01/58/48/258015848.db2.gz LMZZXKYFXFRXTN-BHDDXSALSA-N 1 0 348.490 3.994 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000299776466 258086365 /nfs/dbraw/zinc/08/63/65/258086365.db2.gz BVWSSHRFYSLCCG-OAHLLOKOSA-N 1 0 349.434 3.868 50 0 EHAARO O=C(CCC(F)(F)F)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299778449 258088119 /nfs/dbraw/zinc/08/81/19/258088119.db2.gz QKFMCIJNJBQNLM-AWEZNQCLSA-N 1 0 348.796 3.936 50 0 EHAARO COC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2OC(C)C)C1 ZINC000215954222 258072444 /nfs/dbraw/zinc/07/24/44/258072444.db2.gz ORORABRNULBQAH-AWEZNQCLSA-N 1 0 341.879 3.994 50 0 EHAARO CN(C[C@H]1CC[N@H+](C)C1(C)C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000299767852 258081953 /nfs/dbraw/zinc/08/19/53/258081953.db2.gz WGSJGXVLMSXCSF-CQSZACIVSA-N 1 0 328.378 3.508 50 0 EHAARO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000122635917 222128772 /nfs/dbraw/zinc/12/87/72/222128772.db2.gz CWOZTMLXVVRXCD-INIZCTEOSA-N 1 0 341.455 3.535 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000269285199 524842969 /nfs/dbraw/zinc/84/29/69/524842969.db2.gz SBFMMXKIVZUZAG-IDTSFGKNSA-N 1 0 341.282 3.683 50 0 EHAARO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000191445476 528629350 /nfs/dbraw/zinc/62/93/50/528629350.db2.gz JFBKRASWHWXNLZ-FZWSLVFFSA-N 1 0 345.892 3.537 50 0 EHAARO COc1ccccc1N1CC[NH+]([C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000000214060 563261460 /nfs/dbraw/zinc/26/14/60/563261460.db2.gz RBMRYLVZIIYZOZ-INIZCTEOSA-N 1 0 328.431 3.588 50 0 EHAARO CCOC(=O)N1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000000220181 563262331 /nfs/dbraw/zinc/26/23/31/563262331.db2.gz SAHWIPURPARWLG-UHFFFAOYSA-N 1 0 331.243 3.704 50 0 EHAARO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(C)c1C ZINC000000294068 563274166 /nfs/dbraw/zinc/27/41/66/563274166.db2.gz PJVOJTWCZZTGLG-UHFFFAOYSA-N 1 0 328.431 3.773 50 0 EHAARO CCOC(=O)CCCCC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000002514543 563435619 /nfs/dbraw/zinc/43/56/19/563435619.db2.gz IMENQDWMTNUDLZ-UHFFFAOYSA-N 1 0 331.456 3.979 50 0 EHAARO Ic1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000002880479 563460821 /nfs/dbraw/zinc/46/08/21/563460821.db2.gz YNKBXBKGVGDJHR-UHFFFAOYSA-N 1 0 345.224 3.546 50 0 EHAARO C[C@@H](Nc1nc(N2CC[NH+](C)CC2)nc2ccccc21)c1ccccc1 ZINC000006702043 563580499 /nfs/dbraw/zinc/58/04/99/563580499.db2.gz KNANFVBOVIAAEK-MRXNPFEDSA-N 1 0 347.466 3.555 50 0 EHAARO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000008576355 563632939 /nfs/dbraw/zinc/63/29/39/563632939.db2.gz RJAAJWTUVISGCN-INIZCTEOSA-N 1 0 340.442 3.915 50 0 EHAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2CCO)c(C)o1 ZINC000012611914 563665016 /nfs/dbraw/zinc/66/50/16/563665016.db2.gz ZJJFZODRBDUAHC-MRXNPFEDSA-N 1 0 344.455 3.786 50 0 EHAARO OC[C@]1(CCOc2ccccc2)CCC[N@H+](CCc2ccccc2)C1 ZINC000012715534 563669120 /nfs/dbraw/zinc/66/91/20/563669120.db2.gz PUNZOOJILYHJHK-QFIPXVFZSA-N 1 0 339.479 3.773 50 0 EHAARO CCOc1ccccc1-c1nc(C[NH+]2CCC(OC)CC2)c(C)o1 ZINC000012762164 563670563 /nfs/dbraw/zinc/67/05/63/563670563.db2.gz GPSRNROYQCEZKR-UHFFFAOYSA-N 1 0 330.428 3.660 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCc1ccsc1 ZINC000014095685 563740406 /nfs/dbraw/zinc/74/04/06/563740406.db2.gz JYTAJSUWAVDRCH-HKUYNNGSSA-N 1 0 340.492 3.824 50 0 EHAARO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1ccnn1C1CCCC1 ZINC000032870839 563769920 /nfs/dbraw/zinc/76/99/20/563769920.db2.gz VCZWFEZRDPEEAP-UHFFFAOYSA-N 1 0 346.500 3.829 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCCC2=CCCCC2)cc1 ZINC000015300579 563781561 /nfs/dbraw/zinc/78/15/61/563781561.db2.gz FZZUHJFBPYTIMX-FQEVSTJZSA-N 1 0 342.483 3.839 50 0 EHAARO COC(=O)c1ccoc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032899569 563785671 /nfs/dbraw/zinc/78/56/71/563785671.db2.gz XQMFZODPHCVNBV-UHFFFAOYSA-N 1 0 338.407 3.927 50 0 EHAARO CCC[NH+]1CCC(NC(=O)c2cc3c(s2)CC[C@@H](CC)C3)CC1 ZINC000016605826 563817348 /nfs/dbraw/zinc/81/73/48/563817348.db2.gz BJFPYMJMNLSJTJ-CQSZACIVSA-N 1 0 334.529 3.867 50 0 EHAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(F)cc(F)c1 ZINC000032925017 563826008 /nfs/dbraw/zinc/82/60/08/563826008.db2.gz HMHYAXSJEMFUCO-UHFFFAOYSA-N 1 0 332.394 3.735 50 0 EHAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000025436138 563884731 /nfs/dbraw/zinc/88/47/31/563884731.db2.gz CFULFGPAJLFPTE-IBGZPJMESA-N 1 0 330.859 3.504 50 0 EHAARO Fc1ccc(-c2cc(N3CC[NH+](Cc4ccccc4)CC3)ncn2)cc1 ZINC000027664627 563898861 /nfs/dbraw/zinc/89/88/61/563898861.db2.gz KSUVPIBUIBIRRL-UHFFFAOYSA-N 1 0 348.425 3.605 50 0 EHAARO COc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000028292038 563902174 /nfs/dbraw/zinc/90/21/74/563902174.db2.gz PBAYZRYNJPCLGS-HXUWFJFHSA-N 1 0 338.451 3.652 50 0 EHAARO c1csc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cn3ccnc3)c2)c1 ZINC000030902006 563911636 /nfs/dbraw/zinc/91/16/36/563911636.db2.gz XWDIJSMKUXZRMW-UHFFFAOYSA-N 1 0 349.463 3.673 50 0 EHAARO S=C(NCCc1c[nH]cn1)Nc1ccc(Oc2ccccc2)cc1 ZINC000032523697 563913825 /nfs/dbraw/zinc/91/38/25/563913825.db2.gz GFLRJYIWXNYJOU-UHFFFAOYSA-N 1 0 338.436 3.731 50 0 EHAARO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@@H]([NH3+])C1 ZINC000032629355 563914176 /nfs/dbraw/zinc/91/41/76/563914176.db2.gz RTJJYHPRGIOAQC-KGLIPLIRSA-N 1 0 344.377 3.757 50 0 EHAARO Cc1cc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)ccc1Br ZINC000221347866 563923196 /nfs/dbraw/zinc/92/31/96/563923196.db2.gz SDADPSNBFJASEF-SOZUMNATSA-N 1 0 332.307 3.565 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)CCSc1ccccc1)c1ccccc1 ZINC000033028952 563931646 /nfs/dbraw/zinc/93/16/46/563931646.db2.gz JRORZVIVARWOPW-SFHVURJKSA-N 1 0 328.481 3.588 50 0 EHAARO O=c1cc(C[NH2+]C2CCCCC2)nc2scc(-c3ccccc3)n21 ZINC000058018972 563936844 /nfs/dbraw/zinc/93/68/44/563936844.db2.gz NVYSWEBNTPNCAF-UHFFFAOYSA-N 1 0 339.464 3.845 50 0 EHAARO Cc1cn(C[N@H+](C2CC2)C2CCCC2)c(=O)n1-c1ccc(C)cc1 ZINC000058158686 563938195 /nfs/dbraw/zinc/93/81/95/563938195.db2.gz ZBJVJYJFSNFPNB-UHFFFAOYSA-N 1 0 325.456 3.620 50 0 EHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCCCCC1 ZINC000058356283 563943417 /nfs/dbraw/zinc/94/34/17/563943417.db2.gz ROESDXAJYCOGQC-UHFFFAOYSA-N 1 0 340.471 3.694 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCc2sccc2C1)CC(C)C ZINC000059296994 563947974 /nfs/dbraw/zinc/94/79/74/563947974.db2.gz CEHTXNVLBBKDRZ-MRXNPFEDSA-N 1 0 337.533 3.572 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(-c2cccnc2)cc1 ZINC000096447555 563953475 /nfs/dbraw/zinc/95/34/75/563953475.db2.gz PGUBVHCRPDUTMS-HNNXBMFYSA-N 1 0 331.419 3.698 50 0 EHAARO C[C@H](NC(=O)CC[NH+]1CCC(c2ccncc2)CC1)c1ccccc1 ZINC000065372093 563958489 /nfs/dbraw/zinc/95/84/89/563958489.db2.gz CQSFJNQUJBJOBY-KRWDZBQOSA-N 1 0 337.467 3.529 50 0 EHAARO Cc1ccc(C(=O)NCCC2=CCC[N@@H+]([C@@H]3C=CCCC3)C2)cc1F ZINC000065373585 563958734 /nfs/dbraw/zinc/95/87/34/563958734.db2.gz JFWAKHJFMRHLOI-LJQANCHMSA-N 1 0 342.458 3.995 50 0 EHAARO Cc1nccn1-c1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065395450 563959632 /nfs/dbraw/zinc/95/96/32/563959632.db2.gz NVJJNKJJWKYCDU-INIZCTEOSA-N 1 0 348.450 3.606 50 0 EHAARO Cc1cnccc1Cn1cnc(-c2ccccc2)c1CCn1cccn1 ZINC000065406299 563960100 /nfs/dbraw/zinc/96/01/00/563960100.db2.gz VUMBKVZSYCAIPB-UHFFFAOYSA-N 1 0 343.434 3.741 50 0 EHAARO CCc1noc([C@@H](C)[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000065430539 563960836 /nfs/dbraw/zinc/96/08/36/563960836.db2.gz VRDNJKFUJRCKEC-GHMZBOCLSA-N 1 0 327.350 3.933 50 0 EHAARO Cc1ccc(C)c(NC(=O)CC[N@@H+](C)Cc2cnc3ccccc3n2)c1 ZINC000065453517 563961070 /nfs/dbraw/zinc/96/10/70/563961070.db2.gz YUYJGAJNPQXBEX-UHFFFAOYSA-N 1 0 348.450 3.707 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCCOc2ccccc2Cl)CC1 ZINC000006703192 563964388 /nfs/dbraw/zinc/96/43/88/563964388.db2.gz LSPNLDVBYZFHFI-UHFFFAOYSA-N 1 0 339.863 3.774 50 0 EHAARO CC(C)[C@@H]1CN(C(=O)C2(C)CC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071761436 563965389 /nfs/dbraw/zinc/96/53/89/563965389.db2.gz JCAMVDSJDJLXQI-SFHVURJKSA-N 1 0 332.463 3.685 50 0 EHAARO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)CN1C1CC1 ZINC000077343378 563969055 /nfs/dbraw/zinc/96/90/55/563969055.db2.gz CLQJLCIODHGLAZ-NRFANRHFSA-N 1 0 337.467 3.535 50 0 EHAARO CCCc1ccc2oc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)c(C)c2c1 ZINC000077406672 563969439 /nfs/dbraw/zinc/96/94/39/563969439.db2.gz ASEOTUPLAFLAHL-MRXNPFEDSA-N 1 0 328.456 3.860 50 0 EHAARO c1coc(-c2cccc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)c2)c1 ZINC000077471753 563969939 /nfs/dbraw/zinc/96/99/39/563969939.db2.gz LCLHOUFZXLVLLS-FQEVSTJZSA-N 1 0 340.467 3.633 50 0 EHAARO Clc1cncc(Cl)c1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000077522408 563970210 /nfs/dbraw/zinc/97/02/10/563970210.db2.gz ISIDCBOKXYTIEU-UHFFFAOYSA-N 1 0 328.287 3.839 50 0 EHAARO O=C1CC2(CN1)CC[NH+](Cc1ccc(-c3ccccc3F)cc1)CC2 ZINC000077521821 563970235 /nfs/dbraw/zinc/97/02/35/563970235.db2.gz OUQXJERSGDWWBF-UHFFFAOYSA-N 1 0 338.426 3.595 50 0 EHAARO C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C1CCOCC1 ZINC000097038065 563971284 /nfs/dbraw/zinc/97/12/84/563971284.db2.gz LMUDQKJMYZOEPW-ZACQAIPSSA-N 1 0 332.488 3.523 50 0 EHAARO Cc1cc2ccccc2c(NCc2ccccc2NS(C)(=O)=O)[nH+]1 ZINC000097047762 563971695 /nfs/dbraw/zinc/97/16/95/563971695.db2.gz JVNJORDBPVSJPK-UHFFFAOYSA-N 1 0 341.436 3.527 50 0 EHAARO Cc1cc(F)ccc1C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082155593 563972726 /nfs/dbraw/zinc/97/27/26/563972726.db2.gz PSQMUDINHIZAHP-UHFFFAOYSA-N 1 0 339.414 3.533 50 0 EHAARO CCC[N@@H+]1CCc2nc(SCc3ccccc3Cl)[nH]c(=O)c2C1 ZINC000033287219 563972988 /nfs/dbraw/zinc/97/29/88/563972988.db2.gz TYOYVKKJEFHLTP-UHFFFAOYSA-N 1 0 349.887 3.896 50 0 EHAARO COC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000086003065 563973996 /nfs/dbraw/zinc/97/39/96/563973996.db2.gz QIMVDOFTCBBATE-UHFFFAOYSA-N 1 0 343.398 3.656 50 0 EHAARO COc1ccc(OC)c2c(=O)c(C[N@@H+]3CCCC[C@H]3C)c(C)[nH]c12 ZINC000008717350 563974621 /nfs/dbraw/zinc/97/46/21/563974621.db2.gz OKANURXPTRDENB-GFCCVEGCSA-N 1 0 330.428 3.640 50 0 EHAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCCCC2CCCC2)CC1 ZINC000426411554 563976377 /nfs/dbraw/zinc/97/63/77/563976377.db2.gz UJJBQDVWCKPEJF-UHFFFAOYSA-N 1 0 344.503 3.582 50 0 EHAARO CC(C)n1nccc1NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000247982348 563994950 /nfs/dbraw/zinc/99/49/50/563994950.db2.gz HKMPGEWKGJRCRY-KBPBESRZSA-N 1 0 332.473 3.690 50 0 EHAARO O=C(CCC1CC[NH2+]CC1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000155116520 563995484 /nfs/dbraw/zinc/99/54/84/563995484.db2.gz OMRNPGJQEKSGBY-KRWDZBQOSA-N 1 0 334.891 3.653 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)Cc2ccccc2)cc1C ZINC000127427781 563995959 /nfs/dbraw/zinc/99/59/59/563995959.db2.gz GTQCYWHRLCUOAP-GOSISDBHSA-N 1 0 345.508 3.959 50 0 EHAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cc[nH]c2C2CC2)[C@@H]1c1cccs1 ZINC000252505096 563997840 /nfs/dbraw/zinc/99/78/40/563997840.db2.gz VOHDCHOXDXSJAC-RDTXWAMCSA-N 1 0 343.496 3.767 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccccc2OC)cc1Br ZINC000000172204 564012146 /nfs/dbraw/zinc/01/21/46/564012146.db2.gz PJQLBHPVZLELQF-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO CCOC(=O)N1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000000757742 564012938 /nfs/dbraw/zinc/01/29/38/564012938.db2.gz BIDCJYUBRVTWJL-UHFFFAOYSA-N 1 0 338.451 3.987 50 0 EHAARO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(F)c1 ZINC000014121446 564021452 /nfs/dbraw/zinc/02/14/52/564021452.db2.gz QSHAGQORNDOPRA-UHFFFAOYSA-N 1 0 328.387 3.682 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]C2CCCC2)CCCC1 ZINC000000571475 564023695 /nfs/dbraw/zinc/02/36/95/564023695.db2.gz YHFMRGNKMZMGKL-QGZVFWFLSA-N 1 0 326.484 3.722 50 0 EHAARO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000106543095 564026474 /nfs/dbraw/zinc/02/64/74/564026474.db2.gz DVXFWBHSIFTDDJ-FRRDWIJNSA-N 1 0 344.377 3.890 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1ccccc1F ZINC000107487728 564026927 /nfs/dbraw/zinc/02/69/27/564026927.db2.gz BWQFVRVZCJZIKD-HNAYVOBHSA-N 1 0 339.414 3.974 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000107504883 564026950 /nfs/dbraw/zinc/02/69/50/564026950.db2.gz YPSBWQZYAKETEB-SNUQEOBHSA-N 1 0 336.426 3.653 50 0 EHAARO O=c1oc2ccccc2n1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000047996175 564029812 /nfs/dbraw/zinc/02/98/12/564029812.db2.gz APRJUXFVNQTPIK-CQSZACIVSA-N 1 0 349.390 3.573 50 0 EHAARO C[C@H](CNC(=O)CCc1cccc(Cl)c1Cl)[NH+]1CCCC1 ZINC000048128157 564029976 /nfs/dbraw/zinc/02/99/76/564029976.db2.gz NNIDEFXGNOYEAD-GFCCVEGCSA-N 1 0 329.271 3.527 50 0 EHAARO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000048324391 564030969 /nfs/dbraw/zinc/03/09/69/564030969.db2.gz CTHYYUMGDOTWLX-IEBWSBKVSA-N 1 0 330.472 3.623 50 0 EHAARO CCCCCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000003178877 564034282 /nfs/dbraw/zinc/03/42/82/564034282.db2.gz KMTTWFACUNGGEH-SFHVURJKSA-N 1 0 349.438 3.702 50 0 EHAARO CCc1noc(C2CCC([NH2+]CCc3cccc4[nH]ccc43)CC2)n1 ZINC000241588254 564052020 /nfs/dbraw/zinc/05/20/20/564052020.db2.gz PBHSPERRKJKAGE-UHFFFAOYSA-N 1 0 338.455 3.972 50 0 EHAARO C[NH+](C)[C@H]1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000241720796 564052100 /nfs/dbraw/zinc/05/21/00/564052100.db2.gz QSISUNZLICRMLP-OALUTQOASA-N 1 0 340.467 3.929 50 0 EHAARO Cc1ccsc1C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244866358 564052336 /nfs/dbraw/zinc/05/23/36/564052336.db2.gz VUQVGIUSGYWPCK-QGZVFWFLSA-N 1 0 328.481 3.699 50 0 EHAARO Cc1cc(C)c(NC(=O)CC[N@@H+](C)C[C@@H]2CCCCO2)c(Cl)c1 ZINC000244899451 564052338 /nfs/dbraw/zinc/05/23/38/564052338.db2.gz ZKDRHTWFVUOLRY-HNNXBMFYSA-N 1 0 338.879 3.786 50 0 EHAARO Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000252486648 564053439 /nfs/dbraw/zinc/05/34/39/564053439.db2.gz HNSNHEZXYQQWMY-UHFFFAOYSA-N 1 0 339.798 3.545 50 0 EHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc(NC(C)=O)c2)c1 ZINC000031589042 564057788 /nfs/dbraw/zinc/05/77/88/564057788.db2.gz JUEWHYXCCMKHES-UHFFFAOYSA-N 1 0 339.439 3.739 50 0 EHAARO COc1cc(C)c(C[NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)cc1OC ZINC000083472297 564063280 /nfs/dbraw/zinc/06/32/80/564063280.db2.gz NDDNYOSNDRFBCE-LAUBAEHRSA-N 1 0 341.451 3.880 50 0 EHAARO COc1cccc(NC(=S)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000084689501 564069621 /nfs/dbraw/zinc/06/96/21/564069621.db2.gz VUNGYBRELNFPSO-HLLBOEOZSA-N 1 0 347.528 3.729 50 0 EHAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000084691704 564069630 /nfs/dbraw/zinc/06/96/30/564069630.db2.gz SWOJKJVUWHYUIQ-QWFCFKBJSA-N 1 0 328.500 3.873 50 0 EHAARO Cc1ccc(C[NH2+]Cc2ccc(C(N)=O)cc2)c(OC(C)(C)C)c1 ZINC000084958650 564070614 /nfs/dbraw/zinc/07/06/14/564070614.db2.gz XYGNKQXKXQVBOT-UHFFFAOYSA-N 1 0 326.440 3.561 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C1 ZINC000012819123 564073262 /nfs/dbraw/zinc/07/32/62/564073262.db2.gz WILRQUDULGQIMG-GASCZTMLSA-N 1 0 344.455 3.645 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000239654001 564088191 /nfs/dbraw/zinc/08/81/91/564088191.db2.gz BMCHPPYMWVMZIL-MDZRGWNJSA-N 1 0 330.472 3.622 50 0 EHAARO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)Cc1cccs1 ZINC000239882018 564088242 /nfs/dbraw/zinc/08/82/42/564088242.db2.gz CZVJSCKEANEKML-SQGPQFPESA-N 1 0 343.540 3.822 50 0 EHAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000242196998 564088469 /nfs/dbraw/zinc/08/84/69/564088469.db2.gz XGVKFICAMNGJBL-TYCQWZJGSA-N 1 0 349.478 3.527 50 0 EHAARO C[N@H+](CCOc1ccccc1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000016560943 564089944 /nfs/dbraw/zinc/08/99/44/564089944.db2.gz XCXZQYQBQQJPOW-UHFFFAOYSA-N 1 0 349.430 3.793 50 0 EHAARO CC(C)c1ccc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C(C)C)c1 ZINC000006533209 564091705 /nfs/dbraw/zinc/09/17/05/564091705.db2.gz YHZBRFAOGHJPLH-UHFFFAOYSA-N 1 0 344.484 3.863 50 0 EHAARO CCOC(=O)N1CCC([N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000426498630 564093921 /nfs/dbraw/zinc/09/39/21/564093921.db2.gz PLUVRDDSDJTVSQ-SFHVURJKSA-N 1 0 330.472 3.733 50 0 EHAARO CCN(CC[NH+](C)C)C(=O)c1cccc(-c2cc(Cl)ccc2O)c1 ZINC000426707233 564094423 /nfs/dbraw/zinc/09/44/23/564094423.db2.gz OQTJCQMSWYBJCL-UHFFFAOYSA-N 1 0 346.858 3.736 50 0 EHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 ZINC000064725846 564095706 /nfs/dbraw/zinc/09/57/06/564095706.db2.gz GADHFPKRFSFWLG-OWCLPIDISA-N 1 0 348.512 3.575 50 0 EHAARO Cc1cccc(CNC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000064818043 564096477 /nfs/dbraw/zinc/09/64/77/564096477.db2.gz AFDZRKQFGMSIEY-UHFFFAOYSA-N 1 0 338.426 3.583 50 0 EHAARO CC[C@@H](C)[N@@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccco1 ZINC000169679068 564098096 /nfs/dbraw/zinc/09/80/96/564098096.db2.gz GBOUWFLOHUVCRW-IEBWSBKVSA-N 1 0 331.456 3.766 50 0 EHAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COCc1ccccc1 ZINC000169678059 564098135 /nfs/dbraw/zinc/09/81/35/564098135.db2.gz MGPIXFHJVZJICS-QFBILLFUSA-N 1 0 333.497 3.926 50 0 EHAARO Cc1cccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1 ZINC000006877202 564100373 /nfs/dbraw/zinc/10/03/73/564100373.db2.gz ORLVIYKLSNOJRZ-UHFFFAOYSA-N 1 0 329.488 3.971 50 0 EHAARO c1cc(C[N@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)cs1 ZINC000065287791 564104302 /nfs/dbraw/zinc/10/43/02/564104302.db2.gz POMDGEBZSOSOMP-SFHVURJKSA-N 1 0 338.480 3.768 50 0 EHAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000065478902 564106336 /nfs/dbraw/zinc/10/63/36/564106336.db2.gz LTVROZBINMIIFA-KRWDZBQOSA-N 1 0 332.879 3.689 50 0 EHAARO CCN(CC)c1ccc(C[NH2+]Cc2cc3cccc(OC)c3o2)cn1 ZINC000065593331 564107979 /nfs/dbraw/zinc/10/79/79/564107979.db2.gz ZGCBLMSJUGHMTP-UHFFFAOYSA-N 1 0 339.439 3.972 50 0 EHAARO C[C@H]1CCO[C@H]([C@@H]([N@@H+]2CCSC3(CCCCC3)C2)C(C)(C)O)C1 ZINC000170607459 564109628 /nfs/dbraw/zinc/10/96/28/564109628.db2.gz SSOPRBFADJMCSV-YESZJQIVSA-N 1 0 341.561 3.693 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000170616905 564110035 /nfs/dbraw/zinc/11/00/35/564110035.db2.gz GVTNLEHKSHDTKK-GRDNDAEWSA-N 1 0 326.444 3.572 50 0 EHAARO CCOc1cc2[nH+]ccc(NC[C@H](O)c3ccco3)c2cc1OCC ZINC000170626118 564110504 /nfs/dbraw/zinc/11/05/04/564110504.db2.gz ZJYGOJKSVQKJLA-INIZCTEOSA-N 1 0 342.395 3.771 50 0 EHAARO COc1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c(OC)c1OC ZINC000089657342 564112897 /nfs/dbraw/zinc/11/28/97/564112897.db2.gz VUEOGQZCAZDWPR-QGZVFWFLSA-N 1 0 327.424 3.798 50 0 EHAARO CC[C@H](C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1)[NH+](C)C ZINC000089941899 564115589 /nfs/dbraw/zinc/11/55/89/564115589.db2.gz CYYNXXUDULGBNW-QGZVFWFLSA-N 1 0 340.427 3.609 50 0 EHAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000089948991 564115760 /nfs/dbraw/zinc/11/57/60/564115760.db2.gz YOUDPAZFSBIHNO-DYESRHJHSA-N 1 0 340.467 3.585 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCCOc2ccc3c(c2)CCC3)CC1 ZINC000006703268 564117431 /nfs/dbraw/zinc/11/74/31/564117431.db2.gz GITRZPVWHGNMDO-UHFFFAOYSA-N 1 0 345.483 3.609 50 0 EHAARO CCSc1ccc([C@H](C)NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000236941889 564117695 /nfs/dbraw/zinc/11/76/95/564117695.db2.gz DZUNIDTVRMZRCV-KSSFIOAISA-N 1 0 328.481 3.718 50 0 EHAARO O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)[C@@H]1CCCc2nc[nH]c21 ZINC000252482485 564119198 /nfs/dbraw/zinc/11/91/98/564119198.db2.gz DGRYJRSEINHSOG-MJGOQNOKSA-N 1 0 349.409 3.875 50 0 EHAARO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000193428169 564119502 /nfs/dbraw/zinc/11/95/02/564119502.db2.gz RYUMLOXPNXUZAN-KRWDZBQOSA-N 1 0 349.482 3.974 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000252492648 564119616 /nfs/dbraw/zinc/11/96/16/564119616.db2.gz MRKKQYVAEFSEQB-RXVVDRJESA-N 1 0 349.478 3.689 50 0 EHAARO c1ccc2c(c1)cccc2C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000065934825 564122359 /nfs/dbraw/zinc/12/23/59/564122359.db2.gz UQEQPSYRVYWAMD-UHFFFAOYSA-N 1 0 332.447 3.966 50 0 EHAARO CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000034760807 564129194 /nfs/dbraw/zinc/12/91/94/564129194.db2.gz KHBAZSBJXFMJSA-UHFFFAOYSA-N 1 0 341.411 3.745 50 0 EHAARO COC(C)(C)c1csc([C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000253392574 564130451 /nfs/dbraw/zinc/13/04/51/564130451.db2.gz NBUOSSWCUYZHMC-OAHLLOKOSA-N 1 0 332.469 3.598 50 0 EHAARO CC(=O)NCc1ccc([C@H]2CCCN2c2cc[nH+]c3ccccc32)o1 ZINC000253428376 564131259 /nfs/dbraw/zinc/13/12/59/564131259.db2.gz KUZPKJRTFOCHOI-LJQANCHMSA-N 1 0 335.407 3.805 50 0 EHAARO C[N@@H+]1CCC[C@@H](CCNC(=O)N(Cc2ccsc2)C2CCCC2)C1 ZINC000584892850 564131564 /nfs/dbraw/zinc/13/15/64/564131564.db2.gz RREBPCAWVPWJGG-INIZCTEOSA-N 1 0 349.544 3.934 50 0 EHAARO Cc1c(C)c(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)ccc1O ZINC000584893236 564131594 /nfs/dbraw/zinc/13/15/94/564131594.db2.gz IWCQPADXMRUJBC-UHFFFAOYSA-N 1 0 340.467 3.700 50 0 EHAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(C(=O)NCCO)cc3)c2c1 ZINC000002291161 564131615 /nfs/dbraw/zinc/13/16/15/564131615.db2.gz FMMUIQUGBFTLNJ-UHFFFAOYSA-N 1 0 349.434 3.626 50 0 EHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000013011466 564135913 /nfs/dbraw/zinc/13/59/13/564135913.db2.gz MFHIUNQZAKNBKX-INIZCTEOSA-N 1 0 334.872 3.968 50 0 EHAARO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2CC(F)(F)F)C1 ZINC000078624116 564136463 /nfs/dbraw/zinc/13/64/63/564136463.db2.gz LOMCRVKXZQJHFH-KGLIPLIRSA-N 1 0 343.393 3.786 50 0 EHAARO Cc1nn(C)c(Cl)c1CSCc1nccn1CC(F)(F)F ZINC000078936063 564137405 /nfs/dbraw/zinc/13/74/05/564137405.db2.gz DNZRTLLPVQQUCV-UHFFFAOYSA-N 1 0 338.786 3.574 50 0 EHAARO Cc1ccc(-c2nnc([C@@H](C)N(C)CCc3nccs3)o2)cc1 ZINC000095435435 564140376 /nfs/dbraw/zinc/14/03/76/564140376.db2.gz MLRVIBSIBZFUCJ-CYBMUJFWSA-N 1 0 328.441 3.737 50 0 EHAARO Cc1ccc(NC(=O)C[NH2+][C@H](c2ccncc2)C(C)C)c(Cl)c1 ZINC000095462610 564140820 /nfs/dbraw/zinc/14/08/20/564140820.db2.gz CZMDDYUCGUXSJI-SFHVURJKSA-N 1 0 331.847 3.969 50 0 EHAARO C[N@H+](CCc1cnccn1)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000096003652 564144466 /nfs/dbraw/zinc/14/44/66/564144466.db2.gz HNMXXZNGLKLRQK-UHFFFAOYSA-N 1 0 329.753 3.823 50 0 EHAARO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000283264111 564148858 /nfs/dbraw/zinc/14/88/58/564148858.db2.gz WFKCVEKZNHNASV-CABCVRRESA-N 1 0 344.405 3.778 50 0 EHAARO Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000056382232 564152341 /nfs/dbraw/zinc/15/23/41/564152341.db2.gz PXKPLWTWKIIBEG-AWEZNQCLSA-N 1 0 341.455 3.728 50 0 EHAARO CC(C)C[NH+](CC(C)C)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000057394885 564153885 /nfs/dbraw/zinc/15/38/85/564153885.db2.gz DHSUULAKUNLVQB-UHFFFAOYSA-N 1 0 337.508 3.593 50 0 EHAARO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000058416307 564159063 /nfs/dbraw/zinc/15/90/63/564159063.db2.gz RTNYIJGSKIKCGR-KRWDZBQOSA-N 1 0 342.487 3.613 50 0 EHAARO OC1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000067718630 564166363 /nfs/dbraw/zinc/16/63/63/564166363.db2.gz SFNBPXSAEYHSBZ-UHFFFAOYSA-N 1 0 339.483 3.618 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)cc1F ZINC000069534308 564170308 /nfs/dbraw/zinc/17/03/08/564170308.db2.gz RXJQZIYLBGQQDT-ZDUSSCGKSA-N 1 0 348.466 3.608 50 0 EHAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1CCC(n2cccc2)CC1 ZINC000069620765 564170946 /nfs/dbraw/zinc/17/09/46/564170946.db2.gz RVDFPKGOWQBTKD-GUMHCPJTSA-N 1 0 343.515 3.695 50 0 EHAARO Fc1cccc2c1SCC[C@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000069670715 564171452 /nfs/dbraw/zinc/17/14/52/564171452.db2.gz CCZHMXMKYJWXSL-MRXNPFEDSA-N 1 0 344.459 3.543 50 0 EHAARO CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000069705761 564171683 /nfs/dbraw/zinc/17/16/83/564171683.db2.gz HRCFVHADWPBDGW-GOSISDBHSA-N 1 0 327.403 3.580 50 0 EHAARO Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1cn(C)nc1C(C)C ZINC000071792593 564175334 /nfs/dbraw/zinc/17/53/34/564175334.db2.gz IAYDNRKVLZDLAV-UHFFFAOYSA-N 1 0 348.878 3.624 50 0 EHAARO c1cc(-c2cccnc2)n(C[NH+]2CCC(OCc3ccccc3)CC2)n1 ZINC000071792389 564175339 /nfs/dbraw/zinc/17/53/39/564175339.db2.gz AYGRHPBVRLYENG-UHFFFAOYSA-N 1 0 348.450 3.584 50 0 EHAARO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCc3ccccn3)cc2)cn1 ZINC000071797113 564175397 /nfs/dbraw/zinc/17/53/97/564175397.db2.gz VVKKWEQIXPZZCF-NRFANRHFSA-N 1 0 348.450 3.731 50 0 EHAARO CC(C)C(=O)NC1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000071811826 564175600 /nfs/dbraw/zinc/17/56/00/564175600.db2.gz LUZHUJWRUVMTFL-UHFFFAOYSA-N 1 0 334.463 3.993 50 0 EHAARO CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)c1cscn1 ZINC000071847800 564175998 /nfs/dbraw/zinc/17/59/98/564175998.db2.gz KTADIWNSMADGQB-UHFFFAOYSA-N 1 0 343.496 3.517 50 0 EHAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)Nc1cccs1 ZINC000077104345 564176560 /nfs/dbraw/zinc/17/65/60/564176560.db2.gz DPIQFTUAJKTAOR-UHFFFAOYSA-N 1 0 335.498 3.811 50 0 EHAARO COc1cccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c1F ZINC000192673995 564177696 /nfs/dbraw/zinc/17/76/96/564177696.db2.gz UAABBHCKNAZQAH-CQSZACIVSA-N 1 0 342.414 3.812 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3n2C)c(C)c1OC ZINC000287122892 1015215500 /nfs/dbraw/zinc/21/55/00/1015215500.db2.gz ZJARCOSSKOYRPL-CQSZACIVSA-N 1 0 339.439 3.750 50 0 EHAARO CC(C)C1CCC([NH+]2CCN(C[C@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000175928341 1019000342 /nfs/dbraw/zinc/00/03/42/1019000342.db2.gz VQXWGOHGCIXLNF-JITJBCMDSA-N 1 0 348.506 3.692 50 0 EHAARO CCCCN(C)C[C@H](C)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000290259767 1021006472 /nfs/dbraw/zinc/00/64/72/1021006472.db2.gz KMSYBANIBNSNMQ-BQJIDLTASA-N 1 0 343.515 3.529 50 0 EHAARO CC(C)(C)[NH2+]CCCCOc1ccc(I)cc1 ZINC000002933533 1027411454 /nfs/dbraw/zinc/41/14/54/1027411454.db2.gz RNZWDPCPBQBDMN-UHFFFAOYSA-N 1 0 347.240 3.838 50 0 EHAARO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1coc(C2CCC2)n1 ZINC000194813478 1034228060 /nfs/dbraw/zinc/22/80/60/1034228060.db2.gz BYYZBSSGZRLCEW-UHFFFAOYSA-N 1 0 339.439 3.833 50 0 EHAARO CCCO[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2F)C1 ZINC000023251335 1034513737 /nfs/dbraw/zinc/51/37/37/1034513737.db2.gz GXXFXVLSCZFEGF-MRXNPFEDSA-N 1 0 347.434 3.615 50 0 EHAARO CC(C)c1ccc(C2(C(=O)N3CC[C@](C)(C[NH3+])C3)CCCC2)cc1 ZINC000261941634 1036431043 /nfs/dbraw/zinc/43/10/43/1036431043.db2.gz JKCBVZKWGZWTRB-HXUWFJFHSA-N 1 0 328.500 3.819 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000581807903 1038694580 /nfs/dbraw/zinc/69/45/80/1038694580.db2.gz SPUOJSGDYOEICN-SFHVURJKSA-N 1 0 337.467 3.550 50 0 EHAARO CC[C@@H](C)[NH2+]Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 ZINC000585088482 1040345325 /nfs/dbraw/zinc/34/53/25/1040345325.db2.gz QOORZTWGHQOBBY-CYBMUJFWSA-N 1 0 337.464 3.677 50 0 EHAARO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3c(c2)CCC3)on1 ZINC000252496992 1041323346 /nfs/dbraw/zinc/32/33/46/1041323346.db2.gz PXFSFCUIIWHBBB-GOSISDBHSA-N 1 0 339.439 3.637 50 0 EHAARO Cc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)ccc1Oc1cccnc1 ZINC000119516789 1044004431 /nfs/dbraw/zinc/00/44/31/1044004431.db2.gz QJNRQZYYTGOMGO-SFHVURJKSA-N 1 0 349.438 3.611 50 0 EHAARO Cc1ccsc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000823764709 1131080729 /nfs/dbraw/zinc/08/07/29/1131080729.db2.gz ALJURUAZXPADIZ-UHFFFAOYSA-N 1 0 330.453 3.782 50 0 EHAARO Cc1ccc2c(cc(C[N@H+](CCCO)Cc3cccs3)n2C)c1 ZINC000828752898 1131444378 /nfs/dbraw/zinc/44/43/78/1131444378.db2.gz IVEKZVAUKSLETK-UHFFFAOYSA-N 1 0 328.481 3.933 50 0 EHAARO COCc1ncc(C)n1CC1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000575550546 1131573117 /nfs/dbraw/zinc/57/31/17/1131573117.db2.gz WBBJGXYICBLAFG-UHFFFAOYSA-N 1 0 333.501 3.620 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)c2ccccc2F)CC1 ZINC000581787985 1132356427 /nfs/dbraw/zinc/35/64/27/1132356427.db2.gz MYMXDCVSGFUFGD-KRWDZBQOSA-N 1 0 332.463 3.942 50 0 EHAARO Cc1c[nH+]c(CC2CCN(C(=O)C3CCCCC3)CC2)n1CC1CC1 ZINC000581817021 1132374213 /nfs/dbraw/zinc/37/42/13/1132374213.db2.gz WKTHHEWJVZJKBK-UHFFFAOYSA-N 1 0 343.515 3.963 50 0 EHAARO Cc1ccc(C(=O)N2CC[C@@H](Cn3c(C)c[nH+]c3C3CC3)C2)s1 ZINC000581813654 1132376645 /nfs/dbraw/zinc/37/66/45/1132376645.db2.gz BFYPWZDFXACREL-CQSZACIVSA-N 1 0 329.469 3.601 50 0 EHAARO CC1=Nc2ccccc2C12CC[NH+](CCO[C@@H]1CCCCO1)CC2 ZINC000585116289 1137006199 /nfs/dbraw/zinc/00/61/99/1137006199.db2.gz OXYBHAYPOIISFG-LJQANCHMSA-N 1 0 328.456 3.669 50 0 EHAARO CCC(=O)Nc1cc(NC(=O)CC[NH+]2CCCCCC2)ccc1C ZINC000952860346 1137482602 /nfs/dbraw/zinc/48/26/02/1137482602.db2.gz MWMRRADNFXZZGF-UHFFFAOYSA-N 1 0 331.460 3.548 50 0 EHAARO Cc1ccc([C@H]([NH2+]Cc2cccc(OCCO)c2)c2ccncc2)cc1 ZINC000952868619 1137482888 /nfs/dbraw/zinc/48/28/88/1137482888.db2.gz BRJKPVFXUHFLPU-QFIPXVFZSA-N 1 0 348.446 3.640 50 0 EHAARO [O-][n+]1ccccc1SCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000952880263 1137483201 /nfs/dbraw/zinc/48/32/01/1137483201.db2.gz CFFZTWLHVXFOCC-UHFFFAOYSA-N 1 0 342.508 3.757 50 0 EHAARO CCCc1nc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000952962830 1137483817 /nfs/dbraw/zinc/48/38/17/1137483817.db2.gz GCISVQVLPFOMED-UHFFFAOYSA-N 1 0 329.469 3.944 50 0 EHAARO CCOc1ccc2nc(C[NH2+]Cc3ccc4[nH]c(=O)[nH]c4c3)ccc2c1 ZINC000952976019 1137484602 /nfs/dbraw/zinc/48/46/02/1137484602.db2.gz MQNYUUXHJIARBV-UHFFFAOYSA-N 1 0 348.406 3.505 50 0 EHAARO CC1CCC([NH+]2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000115568084 1141285203 /nfs/dbraw/zinc/28/52/03/1141285203.db2.gz QEFSSCZLLOQIPL-PPSBMQLTSA-N 1 0 336.907 3.570 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004744308 210267992 /nfs/dbraw/zinc/26/79/92/210267992.db2.gz FNBMJZIPZAPMMH-HUUCEWRRSA-N 1 0 334.891 3.923 50 0 EHAARO CC1(C)CC(NC(=S)Nc2cc(F)cc(F)c2)CC(C)(C)[NH2+]1 ZINC000004741396 210265832 /nfs/dbraw/zinc/26/58/32/210265832.db2.gz ASXZWDYWFDMNBC-UHFFFAOYSA-N 1 0 327.444 3.560 50 0 EHAARO c1coc(-c2nc(CN3CCC([NH+]4CCCCC4)CC3)cs2)c1 ZINC000052004772 214113229 /nfs/dbraw/zinc/11/32/29/214113229.db2.gz DGPICXLVQWSIKG-UHFFFAOYSA-N 1 0 331.485 3.853 50 0 EHAARO O=C1NCCN1C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000052216780 214123121 /nfs/dbraw/zinc/12/31/21/214123121.db2.gz CAFUCHIAMJYSJK-UHFFFAOYSA-N 1 0 349.887 3.544 50 0 EHAARO CCOC(=O)C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(C)cc1 ZINC000055211053 214288640 /nfs/dbraw/zinc/28/86/40/214288640.db2.gz ICQQNHNOZWQHOL-QGZVFWFLSA-N 1 0 341.407 3.508 50 0 EHAARO CCN(Cc1ccncc1)C(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000055359133 214311333 /nfs/dbraw/zinc/31/13/33/214311333.db2.gz VVJLLPFIAADCLV-INIZCTEOSA-N 1 0 341.455 3.884 50 0 EHAARO COc1ccccc1/C=C/C[N@@H+](Cc1ccccc1)C[C@@H](C)CO ZINC000055393729 214318780 /nfs/dbraw/zinc/31/87/80/214318780.db2.gz XNKBEKFLYXSRGR-RXNMKEHESA-N 1 0 325.452 3.839 50 0 EHAARO Oc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000055543405 214328652 /nfs/dbraw/zinc/32/86/52/214328652.db2.gz WMCGZBKJZXAXHO-UHFFFAOYSA-N 1 0 336.357 3.733 50 0 EHAARO CC[NH+](CC)CCCNCc1ccc(OCCC(C)C)c(OC)c1 ZINC000004686976 210248008 /nfs/dbraw/zinc/24/80/08/210248008.db2.gz CHLQZVKRUXFPTM-UHFFFAOYSA-N 1 0 336.520 3.942 50 0 EHAARO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000058146388 214482212 /nfs/dbraw/zinc/48/22/12/214482212.db2.gz HZGQMYCJXWVULO-LBPRGKRZSA-N 1 0 334.366 3.571 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)o1 ZINC000004591850 210229148 /nfs/dbraw/zinc/22/91/48/210229148.db2.gz MQTXEVHMIVPBTK-MRXNPFEDSA-N 1 0 326.440 3.677 50 0 EHAARO CCCOC(=O)CCCCCCCC[C@H](O)C[NH+]1CCCCC1 ZINC000004580703 210226708 /nfs/dbraw/zinc/22/67/08/210226708.db2.gz KVYUUDFRZRYYEE-SFHVURJKSA-N 1 0 327.509 3.907 50 0 biogenic EHAARO O=C(NCC[NH2+]Cc1cccc(Oc2ccccc2)c1)c1ccco1 ZINC000004498155 210204988 /nfs/dbraw/zinc/20/49/88/210204988.db2.gz SNZBMGOMMQOQRJ-UHFFFAOYSA-N 1 0 336.391 3.592 50 0 EHAARO COc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1O ZINC000048520280 213944117 /nfs/dbraw/zinc/94/41/17/213944117.db2.gz BHRNJYCCCVWHJA-UHFFFAOYSA-N 1 0 328.231 3.515 50 0 EHAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000004030556 210104996 /nfs/dbraw/zinc/10/49/96/210104996.db2.gz MHODNBZBPRFJBM-GOSISDBHSA-N 1 0 332.532 3.613 50 0 EHAARO C[NH+](C)CC[C@]1(c2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 ZINC000003989601 210097922 /nfs/dbraw/zinc/09/79/22/210097922.db2.gz HIVBATDUVFEJFZ-LJQANCHMSA-N 1 0 329.827 3.900 50 0 in-vitro EHAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccc(OC)cc2)CC1 ZINC000003588733 210058781 /nfs/dbraw/zinc/05/87/81/210058781.db2.gz VDHODBWYTMUNNU-UHFFFAOYSA-N 1 0 335.517 3.588 50 0 EHAARO COc1ccc([C@@H](O)C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000066971319 215100430 /nfs/dbraw/zinc/10/04/30/215100430.db2.gz SNTVSTQZYMZVNZ-SFHVURJKSA-N 1 0 340.448 3.642 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc2ccccc2c1 ZINC000003345578 210014313 /nfs/dbraw/zinc/01/43/13/210014313.db2.gz HYLMALWKMLUHFP-CQSZACIVSA-N 1 0 348.402 3.685 50 0 EHAARO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003338041 210011591 /nfs/dbraw/zinc/01/15/91/210011591.db2.gz NLBDZWGOFVSXFD-SFHVURJKSA-N 1 0 336.479 3.646 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000067473536 215152140 /nfs/dbraw/zinc/15/21/40/215152140.db2.gz SYVXZPWZTPSPQW-INIZCTEOSA-N 1 0 335.455 3.796 50 0 EHAARO CCCOC(=O)N1CC[C@]2(C1)CCC[N@H+](C/C=C/c1ccco1)C2 ZINC000067473419 215152195 /nfs/dbraw/zinc/15/21/95/215152195.db2.gz SPWMGUAFUQLYSA-MTGFJVSHSA-N 1 0 332.444 3.627 50 0 EHAARO O[C@@H]1C[N@H+](CCCC2CCCC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067714698 215193404 /nfs/dbraw/zinc/19/34/04/215193404.db2.gz TZJQNYGQGBQDNH-ZWKOTPCHSA-N 1 0 331.456 3.536 50 0 EHAARO C[N@@H+]1CCC[C@@H]1CCn1ccnc1-c1ccc(Oc2ncccn2)cc1 ZINC000067739521 215199473 /nfs/dbraw/zinc/19/94/73/215199473.db2.gz ZHATWUXFTAQEAI-QGZVFWFLSA-N 1 0 349.438 3.617 50 0 EHAARO C[NH+](C)CC(C)(C)Cn1ccnc1-c1cnc(-c2cccs2)nc1 ZINC000067785956 215212133 /nfs/dbraw/zinc/21/21/33/215212133.db2.gz OTARUKIJDHRNJH-UHFFFAOYSA-N 1 0 341.484 3.656 50 0 EHAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[C@H]([NH3+])C1 ZINC000067965487 215263030 /nfs/dbraw/zinc/26/30/30/215263030.db2.gz VBDRXWJOFXZGOR-KRWDZBQOSA-N 1 0 349.434 3.975 50 0 EHAARO c1sc(Cc2ccccc2)nc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000040105884 213266502 /nfs/dbraw/zinc/26/65/02/213266502.db2.gz OGHDEIXAPCDZTB-MRXNPFEDSA-N 1 0 328.481 3.735 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(F)c(F)c1F)c1ccsc1 ZINC000040097350 213264124 /nfs/dbraw/zinc/26/41/24/213264124.db2.gz NHHQFEOPHSCEKQ-LBPRGKRZSA-N 1 0 343.374 3.590 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)Nc1cccs1 ZINC000038489570 213211719 /nfs/dbraw/zinc/21/17/19/213211719.db2.gz SZOYPKBMHHBISF-UHFFFAOYSA-N 1 0 329.469 3.782 50 0 EHAARO Cc1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C2CC2)c1 ZINC000036098797 213065119 /nfs/dbraw/zinc/06/51/19/213065119.db2.gz PREPWIBPBSLZON-OAQYLSRUSA-N 1 0 325.452 3.537 50 0 EHAARO CC(C)C[N@@H+](Cc1ccsc1)C[C@@H](O)COCc1ccccc1 ZINC000036099197 213064242 /nfs/dbraw/zinc/06/42/42/213064242.db2.gz KHGQBCRYUUCWKT-LJQANCHMSA-N 1 0 333.497 3.784 50 0 EHAARO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1C ZINC000036095248 213063794 /nfs/dbraw/zinc/06/37/94/213063794.db2.gz BKIWWRLZMWIRBQ-IBGZPJMESA-N 1 0 343.467 3.656 50 0 EHAARO CC(C)[C@@H]1CN(C(=O)N2CCCC2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071762476 215817671 /nfs/dbraw/zinc/81/76/71/215817671.db2.gz FKXINGHCSKDZKK-IBGZPJMESA-N 1 0 347.478 3.574 50 0 EHAARO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4nccs4)C3)C2)cc1 ZINC000072129597 216020400 /nfs/dbraw/zinc/02/04/00/216020400.db2.gz UZWIRYJKUNEIHA-GOSISDBHSA-N 1 0 331.460 3.775 50 0 EHAARO c1ccc([C@@H]2C[N@@H+](CCCc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072145395 216032539 /nfs/dbraw/zinc/03/25/39/216032539.db2.gz FIKQCVWSROEHED-YTFSRNRJSA-N 1 0 347.506 3.576 50 0 EHAARO O=C1C[C@H]([NH2+]Cc2ccc(-c3ccccn3)cc2)CN1c1ccccc1 ZINC000072158064 216048241 /nfs/dbraw/zinc/04/82/41/216048241.db2.gz PEMAHMMBQUNPPO-IBGZPJMESA-N 1 0 343.430 3.644 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@H](COc3ccc(F)cc3)C2)c(C)n1 ZINC000072171473 216062588 /nfs/dbraw/zinc/06/25/88/216062588.db2.gz JEMIEDLDDSJQPV-INIZCTEOSA-N 1 0 331.435 3.642 50 0 EHAARO CC(C)[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)[NH+](C)C ZINC000030611026 212703458 /nfs/dbraw/zinc/70/34/58/212703458.db2.gz DEOSHWICEUOIJL-HNNXBMFYSA-N 1 0 334.847 3.916 50 0 EHAARO O=C(NCc1ccccc1C[NH+]1CCCCCC1)Nc1ccccn1 ZINC000072281503 216109798 /nfs/dbraw/zinc/10/97/98/216109798.db2.gz OPNRHSWZJSVBEP-UHFFFAOYSA-N 1 0 338.455 3.779 50 0 EHAARO Clc1ccc(-c2noc(CSC3=[NH+]C[C@@H]4CCC[C@@H]4N3)n2)cc1 ZINC000000137824 209444636 /nfs/dbraw/zinc/44/46/36/209444636.db2.gz SFJSSMLTPZMPFS-AAEUAGOBSA-N 1 0 348.859 3.751 50 0 EHAARO Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3cccc(O)c3)CC2)n1 ZINC000072477138 216256036 /nfs/dbraw/zinc/25/60/36/216256036.db2.gz JBHDVTMRYBRVOU-UHFFFAOYSA-N 1 0 337.467 3.731 50 0 EHAARO CN(C)[C@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)c1cnn(C)c1 ZINC000130142719 223126967 /nfs/dbraw/zinc/12/69/67/223126967.db2.gz CLKCVNAPHHQZPN-RTBURBONSA-N 1 0 346.906 3.734 50 0 EHAARO CC(=O)NC1CC[NH+](Cc2c(OC(C)C)ccc3ccccc32)CC1 ZINC000072584649 216278723 /nfs/dbraw/zinc/27/87/23/216278723.db2.gz SBGUXKQGYCICRE-UHFFFAOYSA-N 1 0 340.467 3.728 50 0 EHAARO c1ccc(C[N@@H+]2CCC[C@H](Nc3nncc(-c4ccccc4)n3)C2)cc1 ZINC000023380464 212372005 /nfs/dbraw/zinc/37/20/05/212372005.db2.gz KUXJCPUIHOGROY-IBGZPJMESA-N 1 0 345.450 3.615 50 0 EHAARO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCN(C)C)c1 ZINC000023247933 212363869 /nfs/dbraw/zinc/36/38/69/212363869.db2.gz WQVRWBGLTZEDKM-UHFFFAOYSA-N 1 0 348.494 3.558 50 0 EHAARO CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-c3ccco3)cc2)C1 ZINC000023192000 212359239 /nfs/dbraw/zinc/35/92/39/212359239.db2.gz XOERYTWTIBFCJW-UXHICEINSA-N 1 0 338.451 3.779 50 0 EHAARO [NH3+]CCN[C@@H](c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000022917520 212334403 /nfs/dbraw/zinc/33/44/03/212334403.db2.gz TURCTTRGNGELIE-HNNXBMFYSA-N 1 0 328.765 3.997 50 0 EHAARO O[C@@H](CO[C@H]1CCCc2ccccc21)C[N@@H+]1CCc2sccc2C1 ZINC000022549931 212307239 /nfs/dbraw/zinc/30/72/39/212307239.db2.gz SUVWMZQQNHJZBA-MJGOQNOKSA-N 1 0 343.492 3.561 50 0 EHAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1-n1cccc1 ZINC000022276561 212287515 /nfs/dbraw/zinc/28/75/15/212287515.db2.gz QLOPRHYZJQLCLZ-UHFFFAOYSA-N 1 0 347.462 3.777 50 0 EHAARO C[C@@H](NC(=O)C[NH+]1CCC(CCc2ccccc2)CC1)c1ccco1 ZINC000022134830 212278873 /nfs/dbraw/zinc/27/88/73/212278873.db2.gz NLNXPSNZDXOOAX-QGZVFWFLSA-N 1 0 340.467 3.802 50 0 EHAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCc2ccccc21 ZINC000216118264 241166018 /nfs/dbraw/zinc/16/60/18/241166018.db2.gz UFWCVBKWCVWBGP-LJQANCHMSA-N 1 0 340.492 3.559 50 0 EHAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2ccccc2Cn2cccn2)c1 ZINC000216256208 241178650 /nfs/dbraw/zinc/17/86/50/241178650.db2.gz HUKUXTJAOZEVEH-NRFANRHFSA-N 1 0 349.482 3.573 50 0 EHAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)[C@@H]1CCc2ccccc21 ZINC000216330901 241182503 /nfs/dbraw/zinc/18/25/03/241182503.db2.gz FMDDJDJVHKHNJW-JOCHJYFZSA-N 1 0 348.490 3.712 50 0 EHAARO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000229351981 242160826 /nfs/dbraw/zinc/16/08/26/242160826.db2.gz OPNIRPSCAOHBSL-LEWJYISDSA-N 1 0 338.451 3.733 50 0 EHAARO Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230182020 242244724 /nfs/dbraw/zinc/24/47/24/242244724.db2.gz SYUCJALZQFKSLM-NDSDBLNTSA-N 1 0 339.483 3.853 50 0 EHAARO COc1ccc([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)cc1F ZINC000237247806 242549495 /nfs/dbraw/zinc/54/94/95/242549495.db2.gz JKYGPFXYUPIRQC-NSHDSACASA-N 1 0 334.357 3.512 50 0 EHAARO C[C@H](Cc1ccccn1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000244626838 243047424 /nfs/dbraw/zinc/04/74/24/243047424.db2.gz FTOLMBMAHAWSJU-CQSZACIVSA-N 1 0 331.847 3.627 50 0 EHAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCOC1 ZINC000244742080 243071955 /nfs/dbraw/zinc/07/19/55/243071955.db2.gz OBMFFJWZTLQRMR-KRWDZBQOSA-N 1 0 329.415 3.873 50 0 EHAARO Cc1cccc(C[NH+]2CCC(Cn3cc(C4CCCC4)nn3)CC2)n1 ZINC000020204893 212110698 /nfs/dbraw/zinc/11/06/98/212110698.db2.gz DLXMPGYFVFXLJH-UHFFFAOYSA-N 1 0 339.487 3.551 50 0 EHAARO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCC ZINC000019871849 212077254 /nfs/dbraw/zinc/07/72/54/212077254.db2.gz RTOSVTYUDHPKID-QGZVFWFLSA-N 1 0 349.858 3.961 50 0 EHAARO Cc1nc(C)c(CC(=O)Nc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000019560548 212042050 /nfs/dbraw/zinc/04/20/50/212042050.db2.gz ROLJKTNKDDVYPP-UHFFFAOYSA-N 1 0 329.469 3.537 50 0 EHAARO CCS[C@H]1CCCC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078289743 217038754 /nfs/dbraw/zinc/03/87/54/217038754.db2.gz UORVURVVGQMPDW-CABCVRRESA-N 1 0 341.565 3.659 50 0 EHAARO OC1CC[NH+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000019145660 212001565 /nfs/dbraw/zinc/00/15/65/212001565.db2.gz UFTVQWUSMBVYCU-UHFFFAOYSA-N 1 0 333.435 3.700 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 ZINC000078403389 217048680 /nfs/dbraw/zinc/04/86/80/217048680.db2.gz ZWFXEQDBRBJRSB-JKSUJKDBSA-N 1 0 339.439 3.528 50 0 EHAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCO[C@@]3(CCSC3)C1)CCC2 ZINC000110704237 220059188 /nfs/dbraw/zinc/05/91/88/220059188.db2.gz JYKOGVDIACCCQT-XNJGSVPQSA-N 1 0 338.542 3.727 50 0 EHAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCC(C)C)C3)C2=O)c1 ZINC000015070639 211797317 /nfs/dbraw/zinc/79/73/17/211797317.db2.gz OLQILJZZRDTSFN-NRFANRHFSA-N 1 0 344.499 3.556 50 0 EHAARO CCC(CC)[C@H](CNC(=O)Nc1ccc(OC)cc1)[NH+]1CCCC1 ZINC000012765520 211449269 /nfs/dbraw/zinc/44/92/69/211449269.db2.gz NBHDHPLTDWNWPI-SFHVURJKSA-N 1 0 333.476 3.717 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000012443725 211385271 /nfs/dbraw/zinc/38/52/71/211385271.db2.gz MLXSETSLNLJVDP-NVGMFHGRSA-N 1 0 348.437 3.746 50 0 EHAARO CC(C)[NH+]1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012442770 211383250 /nfs/dbraw/zinc/38/32/50/211383250.db2.gz VEFGYMUVTNXJLD-UHFFFAOYSA-N 1 0 329.271 3.844 50 0 EHAARO CC(C)[NH+]1CCC(CNC(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000012442780 211382839 /nfs/dbraw/zinc/38/28/39/211382839.db2.gz CZNFAPBATOHIEL-UHFFFAOYSA-N 1 0 346.515 3.600 50 0 EHAARO COCC[N@H+](Cc1nc(-c2ccc(OC)c(C)c2)oc1C)C(C)C ZINC000012440117 211382235 /nfs/dbraw/zinc/38/22/35/211382235.db2.gz MVVRSFQGDFYAAY-UHFFFAOYSA-N 1 0 332.444 3.824 50 0 EHAARO CCOC(=O)C1(CCOC)CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000012387205 211364513 /nfs/dbraw/zinc/36/45/13/211364513.db2.gz ZVRRZLAEUFVCGC-FBMGVBCBSA-N 1 0 345.483 3.772 50 0 EHAARO CSc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012315164 211345328 /nfs/dbraw/zinc/34/53/28/211345328.db2.gz DULFDFQZNZJTGT-FQEVSTJZSA-N 1 0 344.524 3.747 50 0 EHAARO CN(C(=O)c1ccsc1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012094209 211289790 /nfs/dbraw/zinc/28/97/90/211289790.db2.gz HYZCHUGNAROATJ-LJQANCHMSA-N 1 0 342.508 3.917 50 0 EHAARO CC[C@@H]1C[N@H+](Cc2cccc3nccnc23)Cc2cc(OC)ccc2O1 ZINC000012049107 211282531 /nfs/dbraw/zinc/28/25/31/211282531.db2.gz NZUJGDKYJDYYPG-QGZVFWFLSA-N 1 0 349.434 3.812 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(F)c1 ZINC000012005536 211279794 /nfs/dbraw/zinc/27/97/94/211279794.db2.gz ADDSUPUKLVXOBK-OAQYLSRUSA-N 1 0 343.442 3.652 50 0 EHAARO O=C(CC1=CCCCC1)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011956282 211274980 /nfs/dbraw/zinc/27/49/80/211274980.db2.gz FFWHCDRJURXMFX-HXUWFJFHSA-N 1 0 326.484 3.700 50 0 EHAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)cc(C)[nH+]1 ZINC000091441375 218006018 /nfs/dbraw/zinc/00/60/18/218006018.db2.gz YBFRVMHTMNYSPH-IBGZPJMESA-N 1 0 347.466 3.722 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000011838602 211254106 /nfs/dbraw/zinc/25/41/06/211254106.db2.gz KLTRJSCJFDXXAA-ALPJNHHUSA-N 1 0 326.484 3.776 50 0 EHAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000091646146 218040346 /nfs/dbraw/zinc/04/03/46/218040346.db2.gz JQKYATXRQLPNMD-UHFFFAOYSA-N 1 0 338.854 3.704 50 0 EHAARO CC(=O)Nc1ccccc1C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000091673625 218045041 /nfs/dbraw/zinc/04/50/41/218045041.db2.gz FDIWUZVWMZAGJX-UHFFFAOYSA-N 1 0 338.451 3.997 50 0 EHAARO CC(C)[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000091745307 218057347 /nfs/dbraw/zinc/05/73/47/218057347.db2.gz JIZWMMKDDZQULD-SWLSCSKDSA-N 1 0 343.393 3.755 50 0 EHAARO CC(C)=CC[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000091848159 218076535 /nfs/dbraw/zinc/07/65/35/218076535.db2.gz XMAOAMGAPYNKSU-UHFFFAOYSA-N 1 0 348.437 3.746 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc(OC)c1OC ZINC000092788874 218167629 /nfs/dbraw/zinc/16/76/29/218167629.db2.gz SKVDLXYSOFMTMX-CQSZACIVSA-N 1 0 348.468 3.549 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)NCc2ccc(Cl)cc2Cl)C1 ZINC000009997318 211139390 /nfs/dbraw/zinc/13/93/90/211139390.db2.gz DSYBGVBTDRVMLV-RYUDHWBXSA-N 1 0 329.271 3.588 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(-n2cccc2)c1 ZINC000009516346 211097292 /nfs/dbraw/zinc/09/72/92/211097292.db2.gz YVMFAGQRUYLXQG-LJQANCHMSA-N 1 0 349.434 3.637 50 0 EHAARO COc1ccc(Nc2ccccc2C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000095351110 218286200 /nfs/dbraw/zinc/28/62/00/218286200.db2.gz KQDOPHXSJPXXCT-UHFFFAOYSA-N 1 0 341.455 3.509 50 0 EHAARO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cccc2ccccc21 ZINC000095367587 218300193 /nfs/dbraw/zinc/30/01/93/218300193.db2.gz FCZKWXJVEXADCW-OAQYLSRUSA-N 1 0 346.474 3.671 50 0 EHAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1cccc(C)c1 ZINC000008968541 211023898 /nfs/dbraw/zinc/02/38/98/211023898.db2.gz VBAXXRXLHWISCR-GOSISDBHSA-N 1 0 333.391 3.785 50 0 EHAARO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095369842 218302934 /nfs/dbraw/zinc/30/29/34/218302934.db2.gz OWDLSLBFQZZDPQ-YTFSRNRJSA-N 1 0 348.490 3.757 50 0 EHAARO COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000008916954 211018049 /nfs/dbraw/zinc/01/80/49/211018049.db2.gz KBIDUGURBORKEY-HXUWFJFHSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO O=C(Nc1ccccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095388728 218320203 /nfs/dbraw/zinc/32/02/03/218320203.db2.gz WDMJBCDNMRGQSR-AZUAARDMSA-N 1 0 335.451 3.815 50 0 EHAARO C[C@H](c1ccco1)N(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000095409972 218346720 /nfs/dbraw/zinc/34/67/20/218346720.db2.gz QSORPQHWIGLBDM-ZBSSRIJBSA-N 1 0 331.460 3.530 50 0 EHAARO CN(C(=O)CC1CCSCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095416948 218355876 /nfs/dbraw/zinc/35/58/76/218355876.db2.gz PAEGCDPMKAQZHG-UHFFFAOYSA-N 1 0 346.540 3.643 50 0 EHAARO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000095419632 218359333 /nfs/dbraw/zinc/35/93/33/218359333.db2.gz DPUQFDLPCQSLCP-QRWLVFNGSA-N 1 0 326.440 3.553 50 0 EHAARO COC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cc1 ZINC000095420448 218360600 /nfs/dbraw/zinc/36/06/00/218360600.db2.gz WEIFAFSBFNKGFO-ZDUSSCGKSA-N 1 0 345.418 3.921 50 0 EHAARO CC(C)C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccn1 ZINC000095420046 218360868 /nfs/dbraw/zinc/36/08/68/218360868.db2.gz ZXAFMQXQKKUKFN-LJQANCHMSA-N 1 0 341.455 3.656 50 0 EHAARO COc1cccc(Oc2ccc(C[NH2+][C@H](C)C3CCOCC3)cn2)c1 ZINC000095420489 218361063 /nfs/dbraw/zinc/36/10/63/218361063.db2.gz QCVRYKZASXVFJK-OAHLLOKOSA-N 1 0 342.439 3.787 50 0 EHAARO C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccc(F)cc1 ZINC000095420452 218361095 /nfs/dbraw/zinc/36/10/95/218361095.db2.gz UTBIUEPYFOQPNE-KXBFYZLASA-N 1 0 326.415 3.840 50 0 EHAARO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Br)s1 ZINC000095421661 218364249 /nfs/dbraw/zinc/36/42/49/218364249.db2.gz NANIFJXYFYIUMW-SNVBAGLBSA-N 1 0 328.279 3.528 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]CCc2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000095421794 218364290 /nfs/dbraw/zinc/36/42/90/218364290.db2.gz FTJRDCXACYXIDD-CQSZACIVSA-N 1 0 342.439 3.556 50 0 EHAARO C[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000096423681 218791220 /nfs/dbraw/zinc/79/12/20/218791220.db2.gz VZRALODKNYMSAW-UONOGXRCSA-N 1 0 342.405 3.609 50 0 EHAARO C[C@@H]1C[C@H](OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC(C)(C)C1 ZINC000005073896 210385458 /nfs/dbraw/zinc/38/54/58/210385458.db2.gz QUUUPSHLTILKRI-AHRSYUTCSA-N 1 0 331.500 3.637 50 0 EHAARO CC[NH+](CC)C/C=C/c1c(F)c(F)c(NCCOC)c(F)c1F ZINC000005065519 210381541 /nfs/dbraw/zinc/38/15/41/210381541.db2.gz FPDJWSWNZYJZHE-VOTSOKGWSA-N 1 0 334.357 3.656 50 0 EHAARO CCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1OCC ZINC000005019185 210364448 /nfs/dbraw/zinc/36/44/48/210364448.db2.gz PCLYZXKPONKNGF-UHFFFAOYSA-N 1 0 329.396 3.503 50 0 EHAARO Brc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000004745810 210269525 /nfs/dbraw/zinc/26/95/25/210269525.db2.gz DTZQPJTYISOMSL-UHFFFAOYSA-N 1 0 337.305 3.899 50 0 EHAARO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(-c2ncccc2Cl)c1 ZINC000426503246 257966186 /nfs/dbraw/zinc/96/61/86/257966186.db2.gz IERSXJNOGNBLBH-UHFFFAOYSA-N 1 0 345.874 3.720 50 0 EHAARO CC(C)Oc1ccccc1-c1ccc(C(=O)N[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000426494358 257966284 /nfs/dbraw/zinc/96/62/84/257966284.db2.gz JQBVUBRGXCZVNO-MSOLQXFVSA-N 1 0 338.451 3.750 50 0 EHAARO C[C@@H](C[N@@H+]1CCC[C@@H]1c1nncn1C)c1ccc(C(F)(F)F)cc1 ZINC000283324380 257936745 /nfs/dbraw/zinc/93/67/45/257936745.db2.gz OXJVSTILDSUQJO-SWLSCSKDSA-N 1 0 338.377 3.775 50 0 EHAARO CCC(CC)c1cc(C(=O)N[C@H]2CC[C@@H]([NH+]3CCCCC3)C2)on1 ZINC000328591323 258044286 /nfs/dbraw/zinc/04/42/86/258044286.db2.gz AELJPTRWCFTUQZ-JKSUJKDBSA-N 1 0 333.476 3.715 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCc2ccccc21 ZINC000054002595 258060778 /nfs/dbraw/zinc/06/07/78/258060778.db2.gz NKXWXERGYGFQLC-UHFFFAOYSA-N 1 0 337.467 3.801 50 0 EHAARO CC(C)c1nccc(CN2CCC[C@H](C(=O)Cc3ccccc3)C2)n1 ZINC000072477926 258064577 /nfs/dbraw/zinc/06/45/77/258064577.db2.gz FLOMFFMBHIWSHD-SFHVURJKSA-N 1 0 337.467 3.624 50 0 EHAARO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)CCS2 ZINC000191527103 533300723 /nfs/dbraw/zinc/30/07/23/533300723.db2.gz DUMWDXLEKLVEEM-APHBMKBZSA-N 1 0 333.453 3.927 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000170616904 226658725 /nfs/dbraw/zinc/65/87/25/226658725.db2.gz GVTNLEHKSHDTKK-JKIFEVAISA-N 1 0 326.444 3.572 50 0 EHAARO CC(C)CC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000028305725 472221941 /nfs/dbraw/zinc/22/19/41/472221941.db2.gz AWVPBMUWLXXGDB-UHFFFAOYSA-N 1 0 328.460 3.507 50 0 EHAARO COCCC[NH2+]CCCOc1ccc(OCc2ccccc2)cc1 ZINC000003003222 523374411 /nfs/dbraw/zinc/37/44/11/523374411.db2.gz GVOAYSDUPVUUTL-UHFFFAOYSA-N 1 0 329.440 3.661 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)c(F)c2)cc1C ZINC000178552829 525747384 /nfs/dbraw/zinc/74/73/84/525747384.db2.gz YIRBFGWLHJZFIX-HNNXBMFYSA-N 1 0 326.415 3.530 50 0 EHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]Cc2ccco2)CCCC1 ZINC000000571513 563350119 /nfs/dbraw/zinc/35/01/19/563350119.db2.gz MBTWEJUGMXHIQX-INIZCTEOSA-N 1 0 338.451 3.572 50 0 EHAARO CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCC[NH+](C)C ZINC000001912393 563416153 /nfs/dbraw/zinc/41/61/53/563416153.db2.gz YCTBLTUVBXFJRE-UHFFFAOYSA-N 1 0 349.862 3.737 50 0 EHAARO C[NH+](C)CCCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000002361035 563430534 /nfs/dbraw/zinc/43/05/34/563430534.db2.gz RIQIQGRYHDMRHF-UHFFFAOYSA-N 1 0 327.453 3.951 50 0 EHAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000002735156 563447713 /nfs/dbraw/zinc/44/77/13/563447713.db2.gz HIKHXOYTZDHFOJ-IBGZPJMESA-N 1 0 340.442 3.696 50 0 EHAARO CCc1ccc([C@H](CNC(=O)Nc2cccc(F)c2)[NH+](C)C)cc1 ZINC000071899195 563495940 /nfs/dbraw/zinc/49/59/40/563495940.db2.gz HJKLXCDQZSJOSR-SFHVURJKSA-N 1 0 329.419 3.813 50 0 EHAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCC1)C1CCCCC1 ZINC000006056665 563558341 /nfs/dbraw/zinc/55/83/41/563558341.db2.gz ZWXBOPHUVZTJNE-UHFFFAOYSA-N 1 0 340.471 3.651 50 0 EHAARO CC[C@]1(O)C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C[C@H]1CC(C)C ZINC000013745387 563720226 /nfs/dbraw/zinc/72/02/26/563720226.db2.gz TUNMGCULOKMBNJ-BLIXFSHQSA-N 1 0 347.499 3.810 50 0 EHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cn(C)c2ccccc12)c1ccccc1 ZINC000032819099 563757251 /nfs/dbraw/zinc/75/72/51/563757251.db2.gz IBEINYRDUCMRAK-NRFANRHFSA-N 1 0 349.478 3.991 50 0 EHAARO CCc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000016580126 563815356 /nfs/dbraw/zinc/81/53/56/563815356.db2.gz WTBALJHXMJIAAW-UHFFFAOYSA-N 1 0 328.481 3.705 50 0 EHAARO CC1CCC([N@H+](CN2C(=O)NC3(CCCCCC3)C2=O)C2CC2)CC1 ZINC000032926872 563836361 /nfs/dbraw/zinc/83/63/61/563836361.db2.gz OBJPORONPPEWDJ-UHFFFAOYSA-N 1 0 347.503 3.632 50 0 EHAARO c1nc2sc3c(c2c(N[C@@H]2CC[N@@H+]4CCCC[C@@H]24)n1)CCCCC3 ZINC000032932671 563842984 /nfs/dbraw/zinc/84/29/84/563842984.db2.gz GVFSWYXZKIPEJN-CABCVRRESA-N 1 0 342.512 3.999 50 0 EHAARO c1ccc(N2CCN([C@H]3CCC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000019743231 563857012 /nfs/dbraw/zinc/85/70/12/563857012.db2.gz YVCBPWXTVRNUHL-NRFANRHFSA-N 1 0 327.516 3.606 50 0 EHAARO OCCCC[NH2+]C1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000020203999 563858643 /nfs/dbraw/zinc/85/86/43/563858643.db2.gz HNBUXDBRSBZPIA-UHFFFAOYSA-N 1 0 342.458 3.824 50 0 EHAARO c1ccc2c(c1)[nH]c1c2ncnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000020840582 563860009 /nfs/dbraw/zinc/86/00/09/563860009.db2.gz JGYIJFWCYRHMJX-UHFFFAOYSA-N 1 0 335.455 3.566 50 0 EHAARO FC(F)Oc1ccc(C[NH2+]Cc2ccc(C3OCCO3)cc2)cc1 ZINC000069875447 563863415 /nfs/dbraw/zinc/86/34/15/563863415.db2.gz HCPDVCCKRCBDGJ-UHFFFAOYSA-N 1 0 335.350 3.623 50 0 EHAARO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC000025356161 563883684 /nfs/dbraw/zinc/88/36/84/563883684.db2.gz NVFZKESOVFLUPR-OAHLLOKOSA-N 1 0 337.423 3.740 50 0 EHAARO C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)[C@H](C)n1cccn1 ZINC000069951929 563891173 /nfs/dbraw/zinc/89/11/73/563891173.db2.gz JEGLGKXRZNACPT-CABCVRRESA-N 1 0 326.469 3.670 50 0 EHAARO O=C(Cc1ccccc1F)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027143527 563894820 /nfs/dbraw/zinc/89/48/20/563894820.db2.gz OPGSQKMBFLFWLV-UHFFFAOYSA-N 1 0 326.415 3.993 50 0 EHAARO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1csc2ccccc21 ZINC000072268278 563895295 /nfs/dbraw/zinc/89/52/95/563895295.db2.gz QPKKGBTZRXOTNL-UONOGXRCSA-N 1 0 331.485 3.555 50 0 EHAARO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000070009439 563896166 /nfs/dbraw/zinc/89/61/66/563896166.db2.gz KZAZJMZCJUEOIO-MAUKXSAKSA-N 1 0 341.455 3.713 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)cc2c1C ZINC000027580409 563896891 /nfs/dbraw/zinc/89/68/91/563896891.db2.gz TXCBMAOKZRGINY-IBGZPJMESA-N 1 0 349.478 3.687 50 0 EHAARO CC(C)[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)c1cccs1 ZINC000029200802 563905201 /nfs/dbraw/zinc/90/52/01/563905201.db2.gz DGVZJFYPKPWDNZ-KRWDZBQOSA-N 1 0 347.871 3.896 50 0 EHAARO Brc1cc(Cc2ccccc2)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042774427 563924932 /nfs/dbraw/zinc/92/49/32/563924932.db2.gz FUPZSTOKSFNPBM-OAHLLOKOSA-N 1 0 332.241 3.781 50 0 EHAARO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000058201493 563939670 /nfs/dbraw/zinc/93/96/70/563939670.db2.gz CCIXNIJPHOSKLV-HXUWFJFHSA-N 1 0 337.467 3.598 50 0 EHAARO CCOc1ccccc1NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058369902 563944054 /nfs/dbraw/zinc/94/40/54/563944054.db2.gz UTJTUYYUZBDINL-OWCLPIDISA-N 1 0 333.476 3.573 50 0 EHAARO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096415134 563951109 /nfs/dbraw/zinc/95/11/09/563951109.db2.gz RCKSLUSOLPXLDN-AEFFLSMTSA-N 1 0 338.455 3.598 50 0 EHAARO C[C@H](CC(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000096423682 563951874 /nfs/dbraw/zinc/95/18/74/563951874.db2.gz VZRALODKNYMSAW-ZIAGYGMSSA-N 1 0 342.405 3.609 50 0 EHAARO COc1ccc(C[NH+]2CCC(OC3CCOCC3)CC2)c(Cl)c1 ZINC000096455488 563953860 /nfs/dbraw/zinc/95/38/60/563953860.db2.gz MGHCYKYQTYRXQZ-UHFFFAOYSA-N 1 0 339.863 3.509 50 0 EHAARO Cc1cn2c(nc(C[N@@H+](Cc3ccccc3)CC(C)C)cc2=O)s1 ZINC000033068894 563958047 /nfs/dbraw/zinc/95/80/47/563958047.db2.gz RCMGKCOSOASWCU-UHFFFAOYSA-N 1 0 341.480 3.723 50 0 EHAARO O=C(CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1)NCc1ccco1 ZINC000065371158 563958359 /nfs/dbraw/zinc/95/83/59/563958359.db2.gz KTGQYVAGBXAITC-SFHVURJKSA-N 1 0 330.403 3.652 50 0 EHAARO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1C(F)(F)F ZINC000065403928 563960009 /nfs/dbraw/zinc/96/00/09/563960009.db2.gz CSAOQXUCTJVVMF-LBPRGKRZSA-N 1 0 337.345 3.780 50 0 EHAARO c1ccc(CC[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 ZINC000065406352 563960208 /nfs/dbraw/zinc/96/02/08/563960208.db2.gz CPROQOGLMXKKSQ-GOSISDBHSA-N 1 0 334.423 3.554 50 0 EHAARO CC(C)[N@H+](C)CCC(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071721542 563964797 /nfs/dbraw/zinc/96/47/97/563964797.db2.gz UGSNNBONQVEZGJ-QGZVFWFLSA-N 1 0 334.479 3.727 50 0 EHAARO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)Cc1cccs1 ZINC000097017126 563966785 /nfs/dbraw/zinc/96/67/85/563966785.db2.gz CZVJSCKEANEKML-ZWOKBUDYSA-N 1 0 343.540 3.822 50 0 EHAARO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCCNc2cc[nH+]cc2)cc1 ZINC000097097356 563967460 /nfs/dbraw/zinc/96/74/60/563967460.db2.gz ADBBKOAATLLISX-UXHICEINSA-N 1 0 337.467 3.927 50 0 EHAARO Cn1cnnc1C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000097110963 563968002 /nfs/dbraw/zinc/96/80/02/563968002.db2.gz ZKENRCJREWNSMN-DZGCQCFKSA-N 1 0 338.377 3.650 50 0 EHAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccnc3N)C2)cc1 ZINC000077422721 563969561 /nfs/dbraw/zinc/96/95/61/563969561.db2.gz IBMLJBQTCMIWDV-KRWDZBQOSA-N 1 0 347.466 3.742 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000077469826 563969831 /nfs/dbraw/zinc/96/98/31/563969831.db2.gz WVYKVDUOYMFYSA-HNNXBMFYSA-N 1 0 334.891 3.748 50 0 EHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000077541746 563970255 /nfs/dbraw/zinc/97/02/55/563970255.db2.gz FOYPLVUPKVKTKO-SFHVURJKSA-N 1 0 349.482 3.888 50 0 EHAARO Cc1ccc(NC2CCN(C(=O)CC(C)(C)C)CC2)c(C[NH+](C)C)c1 ZINC000097049990 563971740 /nfs/dbraw/zinc/97/17/40/563971740.db2.gz RZGWEUXIYNTWLZ-UHFFFAOYSA-N 1 0 345.531 3.896 50 0 EHAARO COc1ccc(-c2ccc(C(=O)N3CCCC[C@H]([NH+](C)C)C3)o2)cc1 ZINC000082097631 563972191 /nfs/dbraw/zinc/97/21/91/563972191.db2.gz LGQYAJQWNZTVFG-INIZCTEOSA-N 1 0 342.439 3.512 50 0 EHAARO Cn1cc(C[NH2+][C@H]2CCSc3ccccc32)c(-c2cccnc2)n1 ZINC000097159701 563973206 /nfs/dbraw/zinc/97/32/06/563973206.db2.gz OBBZMNQMNGKSDK-KRWDZBQOSA-N 1 0 336.464 3.809 50 0 EHAARO Cc1ccc2nc(C)c(C)c(C(=O)NCC[NH+]3CCCCCC3)c2c1 ZINC000095508587 563977209 /nfs/dbraw/zinc/97/72/09/563977209.db2.gz SJODOIZEWBCDCP-UHFFFAOYSA-N 1 0 339.483 3.766 50 0 EHAARO CCN1CC2(CC1=O)CC[NH+](Cc1cc(C3CCCCC3)no1)CC2 ZINC000095521142 563977391 /nfs/dbraw/zinc/97/73/91/563977391.db2.gz RRCXHWNBUOUBOT-UHFFFAOYSA-N 1 0 345.487 3.557 50 0 EHAARO c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)c(CN2CCOCC2)c1 ZINC000096141982 563979536 /nfs/dbraw/zinc/97/95/36/563979536.db2.gz XOTVKMCIQFOIQK-UHFFFAOYSA-N 1 0 336.479 3.782 50 0 EHAARO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)CC1 ZINC000000106114 563986468 /nfs/dbraw/zinc/98/64/68/563986468.db2.gz SCWQMFSITLQXBE-UHFFFAOYSA-N 1 0 338.842 3.702 50 0 EHAARO COc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)c1 ZINC000000263770 563989813 /nfs/dbraw/zinc/98/98/13/563989813.db2.gz OBXYDXQNVBZOMJ-CQSZACIVSA-N 1 0 347.484 3.610 50 0 EHAARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000000317576 563991054 /nfs/dbraw/zinc/99/10/54/563991054.db2.gz JALWBONSQULJSZ-HNNXBMFYSA-N 1 0 334.891 3.811 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 ZINC000237466004 563992542 /nfs/dbraw/zinc/99/25/42/563992542.db2.gz NKPMBJMUZMGJPS-WCQYABFASA-N 1 0 329.271 3.512 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000237505700 563992636 /nfs/dbraw/zinc/99/26/36/563992636.db2.gz QCCQWSCUOODUKW-XJKSGUPXSA-N 1 0 344.405 3.831 50 0 EHAARO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000408515826 563993037 /nfs/dbraw/zinc/99/30/37/563993037.db2.gz FNJCTWGOHHEALU-UHFFFAOYSA-N 1 0 343.471 3.619 50 0 EHAARO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000248066674 563995113 /nfs/dbraw/zinc/99/51/13/563995113.db2.gz RHEBITLETBOUKH-CRAIPNDOSA-N 1 0 326.440 3.571 50 0 EHAARO CCCCN(Cc1ccc(C)s1)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000426596424 563996348 /nfs/dbraw/zinc/99/63/48/563996348.db2.gz CSNMLIAAFQLJSW-MRXNPFEDSA-N 1 0 337.533 3.853 50 0 EHAARO c1sc([C@H]2CN(Cc3cccnc3)CCO2)nc1-c1ccccc1 ZINC000065458781 563998233 /nfs/dbraw/zinc/99/82/33/563998233.db2.gz XQSHLJACJNIVMK-GOSISDBHSA-N 1 0 337.448 3.779 50 0 EHAARO O=C1Nc2ccc(F)cc2[C@@]12CC[NH2+][C@@H]2c1ccc(F)c(Cl)c1 ZINC000061718722 564000404 /nfs/dbraw/zinc/00/04/04/564000404.db2.gz SFSASMOUQJJOHM-NVXWUHKLSA-N 1 0 334.753 3.543 50 0 EHAARO CC(=O)Nc1ccc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000272708339 564007469 /nfs/dbraw/zinc/00/74/69/564007469.db2.gz BZZQQXKWJHKOQG-QFBILLFUSA-N 1 0 337.467 3.968 50 0 EHAARO CSc1cccc(C)c1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000188860476 564013881 /nfs/dbraw/zinc/01/38/81/564013881.db2.gz FGSDGPPJZMTIDN-UHFFFAOYSA-N 1 0 331.485 3.585 50 0 EHAARO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000005481446 564014042 /nfs/dbraw/zinc/01/40/42/564014042.db2.gz YQRWWUPCBIEOPJ-IBGZPJMESA-N 1 0 340.467 3.912 50 0 EHAARO COc1ccc(NC(=O)O[C@H]2CCN3Cc4ccccc4N=C23)cc1 ZINC000000485821 564016965 /nfs/dbraw/zinc/01/69/65/564016965.db2.gz VNFDRPIDPODPFC-KRWDZBQOSA-N 1 0 337.379 3.562 50 0 biogenic EHAARO O=C([C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000107493751 564026932 /nfs/dbraw/zinc/02/69/32/564026932.db2.gz KHKSBJLGLRDZNI-QHAWAJNXSA-N 1 0 334.463 3.886 50 0 EHAARO Cc1cccc(C[NH+]2CCC(NC(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000048370466 564031656 /nfs/dbraw/zinc/03/16/56/564031656.db2.gz GVFFEOQEAHODCH-UHFFFAOYSA-N 1 0 347.462 3.871 50 0 EHAARO CC(C)c1nn(C)cc1C[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000048709713 564032104 /nfs/dbraw/zinc/03/21/04/564032104.db2.gz ZLTZCMAYQHHUHP-UHFFFAOYSA-N 1 0 340.471 3.572 50 0 EHAARO Cc1cccc(C[C@H](C)NC(=O)C2([NH+]3CCCCC3)CCCCC2)n1 ZINC000221278293 564036108 /nfs/dbraw/zinc/03/61/08/564036108.db2.gz XQLKVRAKJMCRMQ-SFHVURJKSA-N 1 0 343.515 3.626 50 0 EHAARO Cc1ccc2[nH]c([C@@H](C)NC(=O)CCC[NH+]3CCCCCC3)nc2c1 ZINC000221334329 564036144 /nfs/dbraw/zinc/03/61/44/564036144.db2.gz GXZKTYAFUYWPLV-MRXNPFEDSA-N 1 0 342.487 3.705 50 0 EHAARO C[N@H+](CCc1nccs1)Cc1ccc(Sc2ccccn2)o1 ZINC000225639171 564048818 /nfs/dbraw/zinc/04/88/18/564048818.db2.gz OCENEXGSCOEOTH-UHFFFAOYSA-N 1 0 331.466 3.957 50 0 EHAARO CC[NH+](CC)CCNC(=O)c1ccc(NCc2cc(C)oc2C)cc1 ZINC000225642184 564048875 /nfs/dbraw/zinc/04/88/75/564048875.db2.gz LDRXXPDPLQHHLT-UHFFFAOYSA-N 1 0 343.471 3.580 50 0 EHAARO O=C1CC[N@@H+](C[C@@H]2CC=CCC2)CCN1Cc1ccccc1Cl ZINC000014987155 564050917 /nfs/dbraw/zinc/05/09/17/564050917.db2.gz ZYKWRMYMQNBVKK-MRXNPFEDSA-N 1 0 332.875 3.731 50 0 EHAARO Cc1cc(N2CCN(C(=O)NCC3(C)CCCCC3)CC2)cc(C)[nH+]1 ZINC000534661158 564061580 /nfs/dbraw/zinc/06/15/80/564061580.db2.gz XQHWCPDRLRUEAN-UHFFFAOYSA-N 1 0 344.503 3.500 50 0 EHAARO FC(F)(F)COc1ccc(C[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC000083999144 564065760 /nfs/dbraw/zinc/06/57/60/564065760.db2.gz MDMXHTDONCVDKS-UHFFFAOYSA-N 1 0 335.329 3.794 50 0 EHAARO Cc1cc(C)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c(C)c1 ZINC000084074671 564066177 /nfs/dbraw/zinc/06/61/77/564066177.db2.gz BAGHGPXHJCQCQK-OAQYLSRUSA-N 1 0 336.479 3.893 50 0 EHAARO Cn1ccnc1CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1 ZINC000084331630 564067804 /nfs/dbraw/zinc/06/78/04/564067804.db2.gz QPBQSMXTBWEOFT-UHFFFAOYSA-N 1 0 342.349 3.687 50 0 EHAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000084736285 564069935 /nfs/dbraw/zinc/06/99/35/564069935.db2.gz HNAQZVZEVSKJPX-KSSFIOAISA-N 1 0 346.446 3.945 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000084736290 564069936 /nfs/dbraw/zinc/06/99/36/564069936.db2.gz QCRHQKCDGVAUBA-FZKQIMNGSA-N 1 0 344.430 3.699 50 0 EHAARO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000085313305 564072650 /nfs/dbraw/zinc/07/26/50/564072650.db2.gz KHVQLHJAKJMZQA-QHCPKHFHSA-N 1 0 331.481 3.544 50 0 EHAARO C[N@@H+]1CCN(C(=O)C2(c3cccs3)CCCC2)C2(CCCC2)C1 ZINC000085558065 564074004 /nfs/dbraw/zinc/07/40/04/564074004.db2.gz BLKZWXDPCIKMPV-UHFFFAOYSA-N 1 0 332.513 3.647 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(SC(F)F)cc1 ZINC000006246601 564083214 /nfs/dbraw/zinc/08/32/14/564083214.db2.gz NWSVPYWBKZKYPS-LBPRGKRZSA-N 1 0 345.484 3.772 50 0 EHAARO C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000090667682 564085808 /nfs/dbraw/zinc/08/58/08/564085808.db2.gz CQIMUYSRYCMGAF-JKSUJKDBSA-N 1 0 329.513 3.889 50 0 EHAARO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000241126105 564088292 /nfs/dbraw/zinc/08/82/92/564088292.db2.gz JJOBIIVVFDDVKW-PBHICJAKSA-N 1 0 344.480 3.599 50 0 EHAARO Clc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2cn3ccsc3n2)cc1 ZINC000192055025 564090014 /nfs/dbraw/zinc/09/00/14/564090014.db2.gz MDRQZBSJTZFWPM-LSDHHAIUSA-N 1 0 333.844 3.669 50 0 EHAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CC[N@H+](CC1CCC1)C2 ZINC000426423097 564093733 /nfs/dbraw/zinc/09/37/33/564093733.db2.gz QXUONFKFARZUBU-FQEVSTJZSA-N 1 0 348.437 3.579 50 0 EHAARO Cc1noc([C@@H]2CCC[N@H+](CCSc3ccc(C)c(C)c3)C2)n1 ZINC000064638681 564094603 /nfs/dbraw/zinc/09/46/03/564094603.db2.gz ARWPTCPKRYJNHH-MRXNPFEDSA-N 1 0 331.485 3.967 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2o1 ZINC000064968360 564098729 /nfs/dbraw/zinc/09/87/29/564098729.db2.gz SGSPFNQGAUSNTO-OAHLLOKOSA-N 1 0 343.471 3.946 50 0 EHAARO CC(C)c1nc2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)cc2o1 ZINC000064968378 564098743 /nfs/dbraw/zinc/09/87/43/564098743.db2.gz ZNPPQVGPJFZBHL-HNNXBMFYSA-N 1 0 343.471 3.803 50 0 EHAARO CCn1c(C)c(C)c2cc(C(=O)NCC[NH+]3CCCCCC3)ccc21 ZINC000006912742 564101259 /nfs/dbraw/zinc/10/12/59/564101259.db2.gz JFFILJVWLIYVOQ-UHFFFAOYSA-N 1 0 341.499 3.884 50 0 EHAARO Cc1ccc(C[NH+]2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)s1 ZINC000065287362 564104453 /nfs/dbraw/zinc/10/44/53/564104453.db2.gz ZNWBAUHUUWBHCX-UHFFFAOYSA-N 1 0 339.468 3.616 50 0 EHAARO Cc1nc(C)c([C@H](C)[NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)s1 ZINC000065575382 564107634 /nfs/dbraw/zinc/10/76/34/564107634.db2.gz YVQGAHUGSAMPHI-NSHDSACASA-N 1 0 335.521 3.534 50 0 EHAARO Cc1ccc(N2CCC([NH2+]Cc3cnc(C4CCC4)s3)CC2)nc1 ZINC000089652289 564112955 /nfs/dbraw/zinc/11/29/55/564112955.db2.gz CXOHPTCXXAMFDD-UHFFFAOYSA-N 1 0 342.512 3.873 50 0 EHAARO Fc1ccc2c(c1)[nH+]ccc2N1CCn2c(nnc2-c2ccccc2)C1 ZINC000089853171 564114390 /nfs/dbraw/zinc/11/43/90/564114390.db2.gz MFUFDYRVMJCSIW-UHFFFAOYSA-N 1 0 345.381 3.653 50 0 EHAARO COc1ccc2cc([C@@H](C)[NH+]3CCC(NC(C)=O)CC3)ccc2c1 ZINC000076089502 564115570 /nfs/dbraw/zinc/11/55/70/564115570.db2.gz IJOYYTLAPGCMDU-CQSZACIVSA-N 1 0 326.440 3.510 50 0 EHAARO CC1(C)C[C@H](Nc2ccn(CC(F)F)n2)C[N@@H+]1Cc1ccccc1 ZINC000090189063 564116441 /nfs/dbraw/zinc/11/64/41/564116441.db2.gz VKQDEXMOVDDYLR-HNNXBMFYSA-N 1 0 334.414 3.613 50 0 EHAARO CCCC[N+]1=C2[C@@H](OC(=O)c3ccccc3)CCN2Cc2ccccc21 ZINC000017145449 564116525 /nfs/dbraw/zinc/11/65/25/564116525.db2.gz FVXQCXZFFSVMEB-FQEVSTJZSA-N 1 0 349.454 3.974 50 0 biogenic EHAARO O=C(Nc1cccc(C[NH2+][C@H](Cc2ccccn2)C2CC2)c1)C1CCC1 ZINC000122527120 564116617 /nfs/dbraw/zinc/11/66/17/564116617.db2.gz QEBNNTBAEZMDNX-OAQYLSRUSA-N 1 0 349.478 3.931 50 0 EHAARO C/C=C/c1ccc(OCCOCC[N@@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000002823209 564116970 /nfs/dbraw/zinc/11/69/70/564116970.db2.gz PHCMBIKQAUYXTM-UKINESCASA-N 1 0 333.472 3.856 50 0 EHAARO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237408168 564117742 /nfs/dbraw/zinc/11/77/42/564117742.db2.gz PWQRXHCGHWLNHS-RISCZKNCSA-N 1 0 341.282 3.903 50 0 EHAARO COc1ccc(-c2cc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)sc2C)cc1 ZINC000237405331 564117749 /nfs/dbraw/zinc/11/77/49/564117749.db2.gz MMKCNJJZBXDGAV-WFASDCNBSA-N 1 0 344.480 3.684 50 0 EHAARO C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237598808 564117759 /nfs/dbraw/zinc/11/77/59/564117759.db2.gz PWQRXHCGHWLNHS-FZMZJTMJSA-N 1 0 341.282 3.903 50 0 EHAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC000252477852 564119096 /nfs/dbraw/zinc/11/90/96/564119096.db2.gz WLJWOZWZZKPKTJ-QZTJIDSGSA-N 1 0 327.497 3.869 50 0 EHAARO CC(C)C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccccn1 ZINC000252486365 564119363 /nfs/dbraw/zinc/11/93/63/564119363.db2.gz JKXPPPBNQXGMSF-PCCBWWKXSA-N 1 0 345.531 3.526 50 0 EHAARO CC(C)[C@@H](C[NH2+]Cc1ccn(Cc2ccccc2)c1)c1ccnn1C ZINC000252500644 564119795 /nfs/dbraw/zinc/11/97/95/564119795.db2.gz SZQUBLVOGOEOHT-HXUWFJFHSA-N 1 0 336.483 3.799 50 0 EHAARO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(O)ccc2Cl)C1 ZINC000252498774 564119807 /nfs/dbraw/zinc/11/98/07/564119807.db2.gz RKTXRTXNOHCIOJ-CYBMUJFWSA-N 1 0 338.879 3.676 50 0 EHAARO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000252500758 564119839 /nfs/dbraw/zinc/11/98/39/564119839.db2.gz TVALGJWBVOLPHO-YTQUADARSA-N 1 0 346.540 3.755 50 0 EHAARO COc1ccc(C2([NH2+]CCSC(C)C)CCOCC2)cc1F ZINC000252509241 564120003 /nfs/dbraw/zinc/12/00/03/564120003.db2.gz YHSOJGVKFAWONF-UHFFFAOYSA-N 1 0 327.465 3.571 50 0 EHAARO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000252513853 564120228 /nfs/dbraw/zinc/12/02/28/564120228.db2.gz AIXVKPVRVHMNFH-BHIYHBOVSA-N 1 0 325.456 3.630 50 0 EHAARO CCC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(F)cc1F)c1ccccc1 ZINC000170676217 564121365 /nfs/dbraw/zinc/12/13/65/564121365.db2.gz PTVHQEOFGYVBCP-CRAIPNDOSA-N 1 0 332.394 3.665 50 0 EHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000058883655 564129464 /nfs/dbraw/zinc/12/94/64/564129464.db2.gz UJOWPJBNOMZPGT-SCTDSRPQSA-N 1 0 326.484 3.582 50 0 EHAARO CCCc1sc(C)nc1C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253412925 564130696 /nfs/dbraw/zinc/13/06/96/564130696.db2.gz SMFKKURWDOXJIO-JKSUJKDBSA-N 1 0 349.544 3.741 50 0 biogenic EHAARO C[N@H+](CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531175 564133030 /nfs/dbraw/zinc/13/30/30/564133030.db2.gz NDAWUPLIPPNPGL-UTNDXIFNSA-N 1 0 348.575 3.649 50 0 biogenic EHAARO O=C(Nc1cc(-c2ccccc2)ns1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000078974915 564137458 /nfs/dbraw/zinc/13/74/58/564137458.db2.gz TWRZXAVFFQRRCD-HNNXBMFYSA-N 1 0 342.468 3.512 50 0 EHAARO COc1cccc([C@@H](C)[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000079498263 564138217 /nfs/dbraw/zinc/13/82/17/564138217.db2.gz QVRXCZLSNFYLMN-UZLBHIALSA-N 1 0 333.472 3.806 50 0 EHAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H](c2ccccc2)c2ccccn2)n1 ZINC000095466212 564141024 /nfs/dbraw/zinc/14/10/24/564141024.db2.gz POCVITKHUARUBH-IERDGZPVSA-N 1 0 334.467 3.910 50 0 EHAARO CC[NH+]1CCC(NC(=O)Cc2coc3ccc4ccccc4c23)CC1 ZINC000007964242 564141852 /nfs/dbraw/zinc/14/18/52/564141852.db2.gz CINOOAPGUVORMW-UHFFFAOYSA-N 1 0 336.435 3.729 50 0 EHAARO Cc1ncc([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)c(C)n1 ZINC000095967630 564143067 /nfs/dbraw/zinc/14/30/67/564143067.db2.gz YUOUVJIHJPZAKS-GFCCVEGCSA-N 1 0 330.501 3.712 50 0 EHAARO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc2ccccc2n1 ZINC000095969227 564143365 /nfs/dbraw/zinc/14/33/65/564143365.db2.gz DSCVZDJDOYTSMP-ZBFHGGJFSA-N 1 0 336.414 3.698 50 0 EHAARO Cc1nc2ccccn2c1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000096493141 564148748 /nfs/dbraw/zinc/14/87/48/564148748.db2.gz GRVLZTLABWXZQC-OAQYLSRUSA-N 1 0 349.434 3.655 50 0 EHAARO CC1CC[NH+](Cc2ccc(CNC(=O)/C=C/c3cccnc3)cc2)CC1 ZINC000029358774 564153362 /nfs/dbraw/zinc/15/33/62/564153362.db2.gz VGSJTGTUPMLVBP-CMDGGOBGSA-N 1 0 349.478 3.643 50 0 EHAARO Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CCS2 ZINC000163085652 564156460 /nfs/dbraw/zinc/15/64/60/564156460.db2.gz CWHGOOZLIUNIPB-BXUZGUMPSA-N 1 0 348.409 3.836 50 0 EHAARO CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000003279663 564156911 /nfs/dbraw/zinc/15/69/11/564156911.db2.gz MQPQWOJZPIFWMQ-UHFFFAOYSA-N 1 0 326.387 3.881 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cncc(F)c1 ZINC000670439496 564157649 /nfs/dbraw/zinc/15/76/49/564157649.db2.gz BTNVEIJOORRLNY-IBGZPJMESA-N 1 0 341.430 3.568 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc2ccccc21 ZINC000008520514 564165588 /nfs/dbraw/zinc/16/55/88/564165588.db2.gz SFINGKFYGMSNJP-IBGZPJMESA-N 1 0 334.419 4.000 50 0 EHAARO Cc1cc(C)c(C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1C ZINC000067505289 564166035 /nfs/dbraw/zinc/16/60/35/564166035.db2.gz LTXOJVJEPAHGSV-INIZCTEOSA-N 1 0 346.496 3.834 50 0 EHAARO Cc1cccc(OCCN2CC[NH+]=C2SCc2ccccc2)c1 ZINC000008664810 564166264 /nfs/dbraw/zinc/16/62/64/564166264.db2.gz XPXITGLRJZYBKA-UHFFFAOYSA-N 1 0 326.465 3.979 50 0 EHAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(C3CC3)on2)CC1 ZINC000172296044 564167542 /nfs/dbraw/zinc/16/75/42/564167542.db2.gz GBLJLXSGVZCWFG-CQSZACIVSA-N 1 0 339.439 3.507 50 0 EHAARO COc1ccc2oc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c(C)c2c1 ZINC000069179388 564168523 /nfs/dbraw/zinc/16/85/23/564168523.db2.gz WYFHCBVLPANDRZ-UHFFFAOYSA-N 1 0 344.455 3.744 50 0 EHAARO CSc1ccsc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000069514612 564170018 /nfs/dbraw/zinc/17/00/18/564170018.db2.gz NYEHSHWTAUNXAA-UHFFFAOYSA-N 1 0 338.542 3.854 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccc(F)cc2F)CC1 ZINC000069520866 564170158 /nfs/dbraw/zinc/17/01/58/564170158.db2.gz GHSTWTSVBSFKEE-UHFFFAOYSA-N 1 0 345.393 3.723 50 0 EHAARO CC(C)CN(C(=O)c1ccc(-c2cnco2)cc1)C1CC[NH+](C)CC1 ZINC000069812371 564172289 /nfs/dbraw/zinc/17/22/89/564172289.db2.gz ZYQYIOONPAQOSV-UHFFFAOYSA-N 1 0 341.455 3.534 50 0 EHAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000069869967 564172533 /nfs/dbraw/zinc/17/25/33/564172533.db2.gz YOACYIMJWBLZJL-OLZOCXBDSA-N 1 0 347.509 3.570 50 0 EHAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2nc(-c3ccco3)oc2C)n1 ZINC000070004178 564173237 /nfs/dbraw/zinc/17/32/37/564173237.db2.gz BYDIHHBSBVACLI-INIZCTEOSA-N 1 0 340.427 3.721 50 0 EHAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000071870393 564176198 /nfs/dbraw/zinc/17/61/98/564176198.db2.gz FUPRUKGYGLGSHD-SJORKVTESA-N 1 0 343.858 3.587 50 0 EHAARO Cc1cc(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)c2ccccc2n1 ZINC000077173874 564176630 /nfs/dbraw/zinc/17/66/30/564176630.db2.gz NSWKBJOTKWNJTI-UHFFFAOYSA-N 1 0 339.483 3.624 50 0 EHAARO CCCOc1ccc(C[NH+]2CCC3(C[C@H]3c3noc(C)n3)CC2)cc1 ZINC000257185407 1032680345 /nfs/dbraw/zinc/68/03/45/1032680345.db2.gz JMZDKOWJNAVEBC-SFHVURJKSA-N 1 0 341.455 3.937 50 0 EHAARO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161060223 1022145139 /nfs/dbraw/zinc/14/51/39/1022145139.db2.gz OSISHSKTGPGCBS-QGZVFWFLSA-N 1 0 348.446 3.756 50 0 EHAARO CC(C)Cn1cc(NC(=O)C2CC[NH+](C(C)C)CC2)c(C(F)F)n1 ZINC000330515900 1022594891 /nfs/dbraw/zinc/59/48/91/1022594891.db2.gz VXPKUXYHWVIBLA-UHFFFAOYSA-N 1 0 342.434 3.536 50 0 EHAARO C[N@H+](Cc1ccco1)C1CCN(c2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000199306994 1026355283 /nfs/dbraw/zinc/35/52/83/1026355283.db2.gz RFWDCPJKSMNOTO-UHFFFAOYSA-N 1 0 336.439 3.771 50 0 EHAARO C[N@H+](CCOC(=O)c1cc(Br)ccc1Cl)C(C)(C)C ZINC000002926818 1027270274 /nfs/dbraw/zinc/27/02/74/1027270274.db2.gz LZDBNMRHOHBUEC-UHFFFAOYSA-N 1 0 348.668 3.990 50 0 EHAARO C[NH2+]CC1CCN(C(=O)/C=C(/C)c2ccccc2C(F)(F)F)CC1 ZINC000237343160 1029149836 /nfs/dbraw/zinc/14/98/36/1029149836.db2.gz MRUBCDOFWVBZOT-QBFSEMIESA-N 1 0 340.389 3.567 50 0 EHAARO Cc1ccc(NC(=O)C[NH2+]CCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000006937498 1030105532 /nfs/dbraw/zinc/10/55/32/1030105532.db2.gz DSMOCEQMHYJOKB-UHFFFAOYSA-N 1 0 341.842 3.901 50 0 EHAARO CCCOc1ccc(C[NH+]2CCC3(C[C@@H]3c3noc(C)n3)CC2)cc1 ZINC000257185405 1038463144 /nfs/dbraw/zinc/46/31/44/1038463144.db2.gz JMZDKOWJNAVEBC-GOSISDBHSA-N 1 0 341.455 3.937 50 0 EHAARO Fc1ccc(-c2cc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)on2)cc1 ZINC000367861352 1127436338 /nfs/dbraw/zinc/43/63/38/1127436338.db2.gz AFUPJXNKUNUWCV-QGZVFWFLSA-N 1 0 339.370 3.529 50 0 EHAARO Cc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)ccn1 ZINC000527537803 1127542750 /nfs/dbraw/zinc/54/27/50/1127542750.db2.gz GSFZBAHXONIWLS-SFHVURJKSA-N 1 0 333.439 3.555 50 0 EHAARO CC[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccncc1 ZINC000163783184 1125237652 /nfs/dbraw/zinc/23/76/52/1125237652.db2.gz DUPOOIXWCVZNQI-JGCRXCKMSA-N 1 0 335.451 3.955 50 0 EHAARO O=C(NCCc1c[nH]c2ccccc12)C1([NH+]2CCCC2)CCCCC1 ZINC000827661112 1131392339 /nfs/dbraw/zinc/39/23/39/1131392339.db2.gz FCVIFVULNFUEGN-UHFFFAOYSA-N 1 0 339.483 3.625 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(F)c1 ZINC000012429394 1129923207 /nfs/dbraw/zinc/92/32/07/1129923207.db2.gz REPIJHGZOSAJBX-QLFBSQMISA-N 1 0 341.430 3.916 50 0 EHAARO OC1(CCC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CCC1 ZINC000817587563 1130651355 /nfs/dbraw/zinc/65/13/55/1130651355.db2.gz YTWHEJXVEWGMML-GFCCVEGCSA-N 1 0 345.306 3.642 50 0 EHAARO COCCn1c(C)cnc1C[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000575317571 1131541634 /nfs/dbraw/zinc/54/16/34/1131541634.db2.gz NVEDWUHMBKAWDB-HXUWFJFHSA-N 1 0 341.499 3.601 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)c2cccc(F)c2)CC1 ZINC000581788202 1132355953 /nfs/dbraw/zinc/35/59/53/1132355953.db2.gz XMOLFCDMNSTXBX-IBGZPJMESA-N 1 0 332.463 3.942 50 0 EHAARO Cc1noc(C[C@H]2CCOC3(CC[NH+](CC4CCCCC4)CC3)C2)n1 ZINC000581804261 1132367635 /nfs/dbraw/zinc/36/76/35/1132367635.db2.gz JOWIFDGMSSVSID-GOSISDBHSA-N 1 0 347.503 3.762 50 0 EHAARO Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1cnc3n1CCCC3)CCCO2 ZINC000585081431 1136966805 /nfs/dbraw/zinc/96/68/05/1136966805.db2.gz GXCGKPDZDHYXRB-SFHVURJKSA-N 1 0 325.456 3.840 50 0 EHAARO Cc1nc(-c2ccc(C(=O)N3CCC(C)([NH+](C)C)CC3)cc2)cs1 ZINC000585129002 1137018574 /nfs/dbraw/zinc/01/85/74/1137018574.db2.gz UCKIZLFNZMMFDY-UHFFFAOYSA-N 1 0 343.496 3.675 50 0 EHAARO CC1=NO[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000585133831 1137020334 /nfs/dbraw/zinc/02/03/34/1137020334.db2.gz XAGBFXJTOIINCX-INIZCTEOSA-N 1 0 326.400 3.560 50 0 EHAARO O=c1c2cc(F)ccc2ncn1CC[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000044632603 1137417133 /nfs/dbraw/zinc/41/71/33/1137417133.db2.gz KJEIBGGVRSWRQL-QGZVFWFLSA-N 1 0 343.446 3.723 50 0 EHAARO CN(CC[N@H+](C)C1CCCC1)C(=O)Cc1ccccc1C(F)(F)F ZINC000952973262 1137484562 /nfs/dbraw/zinc/48/45/62/1137484562.db2.gz GLSDCWCNEVWWAF-UHFFFAOYSA-N 1 0 342.405 3.581 50 0 EHAARO Cc1c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)[nH]c2c1cccc2Cl ZINC000952978983 1137484664 /nfs/dbraw/zinc/48/46/64/1137484664.db2.gz CQYMCARAVUGBDD-HNNXBMFYSA-N 1 0 349.906 3.672 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cc(Br)ccn1 ZINC000952992733 1137485082 /nfs/dbraw/zinc/48/50/82/1137485082.db2.gz AAHGRGAWAOFPEH-GFCCVEGCSA-N 1 0 334.261 3.761 50 0 EHAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1ccccc1)N1CCCCCC1 ZINC000952989317 1137485778 /nfs/dbraw/zinc/48/57/78/1137485778.db2.gz UPYJTIPEFOVYRF-HXUWFJFHSA-N 1 0 326.488 3.733 50 0 EHAARO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000051188218 214083168 /nfs/dbraw/zinc/08/31/68/214083168.db2.gz MTCIKBOKBJTIPT-RBBKRZOGSA-N 1 0 347.462 3.744 50 0 EHAARO C[N@@H+]1CCCC[C@H]1C(=O)NCCCSCc1ccccc1Cl ZINC000097637918 219043298 /nfs/dbraw/zinc/04/32/98/219043298.db2.gz JBNKCKHKUOHWQR-INIZCTEOSA-N 1 0 340.920 3.564 50 0 EHAARO CC(C)(C)[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1cccs1 ZINC000052838386 214150903 /nfs/dbraw/zinc/15/09/03/214150903.db2.gz HCAGJUZTTZGWFT-AWEZNQCLSA-N 1 0 333.482 3.695 50 0 EHAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccc(Cl)s1 ZINC000055243102 214293659 /nfs/dbraw/zinc/29/36/59/214293659.db2.gz GWFUPXMWZHCHLV-UHFFFAOYSA-N 1 0 328.890 3.667 50 0 EHAARO OCCC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055327618 214307787 /nfs/dbraw/zinc/30/77/87/214307787.db2.gz XOHJIUFPBCEAKB-UHFFFAOYSA-N 1 0 345.443 3.662 50 0 EHAARO CCc1oc(C(=O)N(C)[C@@H](C)c2nccs2)cc1C[NH+](CC)CC ZINC000055341951 214309685 /nfs/dbraw/zinc/30/96/85/214309685.db2.gz MZECWPSDNJWFSE-ZDUSSCGKSA-N 1 0 349.500 3.974 50 0 EHAARO CC(C)C[C@@H](O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000055357906 214311774 /nfs/dbraw/zinc/31/17/74/214311774.db2.gz KWQYMFMBKFHONV-LJQANCHMSA-N 1 0 345.462 3.835 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000055403210 214319546 /nfs/dbraw/zinc/31/95/46/214319546.db2.gz RWYYTDBXSANMHA-AWEZNQCLSA-N 1 0 326.469 3.905 50 0 EHAARO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000055413557 214321412 /nfs/dbraw/zinc/32/14/12/214321412.db2.gz RFHLWIUMAJJWIW-AWEZNQCLSA-N 1 0 331.441 3.504 50 0 EHAARO COc1cc(-c2nc3ccccc3[nH]2)ccc1OCC[NH+]1CCCC1 ZINC000055575684 214331825 /nfs/dbraw/zinc/33/18/25/214331825.db2.gz IIOBZUIRZHVBPN-UHFFFAOYSA-N 1 0 337.423 3.713 50 0 EHAARO CC(C)c1ccccc1OCCOC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000004279093 210159517 /nfs/dbraw/zinc/15/95/17/210159517.db2.gz YXDQQRCSNQVCON-OTWHNJEPSA-N 1 0 349.515 3.829 50 0 EHAARO COc1ccc(OC)c(NC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000004040501 210106109 /nfs/dbraw/zinc/10/61/09/210106109.db2.gz NYTLJLVMWQZSTJ-WMLDXEAASA-N 1 0 348.443 3.517 50 0 biogenic EHAARO CC[NH+](CC)CCNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003254726 209990745 /nfs/dbraw/zinc/99/07/45/209990745.db2.gz RZITUCUOASIYJR-UHFFFAOYSA-N 1 0 337.423 3.566 50 0 EHAARO O[C@@H](C[N@@H+]1CCc2onc(-c3cccc(F)c3)c2C1)c1ccccc1 ZINC000067675693 215181570 /nfs/dbraw/zinc/18/15/70/215181570.db2.gz APMWNTFBIQGZAD-SFHVURJKSA-N 1 0 338.382 3.572 50 0 EHAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@H]1CCOC1)CCO2 ZINC000067712866 215190406 /nfs/dbraw/zinc/19/04/06/215190406.db2.gz BYFNJFAWBSZCFA-MRXNPFEDSA-N 1 0 339.435 3.599 50 0 EHAARO COc1ccc(-c2cc(F)cc3c2O[C@H](C[NH3+])C3)cc1C(F)(F)F ZINC000067714528 215193347 /nfs/dbraw/zinc/19/33/47/215193347.db2.gz XCCQFCAXLRADMH-LBPRGKRZSA-N 1 0 341.304 3.782 50 0 EHAARO CN(Cc1sc2ccccc2c1Cl)c1ncnc2c1CC[NH2+]C2 ZINC000067850261 215230382 /nfs/dbraw/zinc/23/03/82/215230382.db2.gz RQTQAJPEOZQCAV-UHFFFAOYSA-N 1 0 344.871 3.627 50 0 EHAARO c1ccc([C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)c2ccccn2)cc1 ZINC000180967397 234046884 /nfs/dbraw/zinc/04/68/84/234046884.db2.gz OFYIVWCVEFEQNH-YSIASYRMSA-N 1 0 340.492 3.815 50 0 EHAARO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000181108795 234089729 /nfs/dbraw/zinc/08/97/29/234089729.db2.gz QKXGSPNMCAYZFO-CQSZACIVSA-N 1 0 347.422 3.811 50 0 EHAARO CCOc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000038673449 213221006 /nfs/dbraw/zinc/22/10/06/213221006.db2.gz PITUQEDOPCDZKM-MRXNPFEDSA-N 1 0 333.457 3.571 50 0 EHAARO CC1CCC([NH+]2CCC(N(C)C(=O)CCc3ccncc3)CC2)CC1 ZINC000069970028 215648037 /nfs/dbraw/zinc/64/80/37/215648037.db2.gz RVYVEKSSCSZRQC-UHFFFAOYSA-N 1 0 343.515 3.516 50 0 EHAARO C[NH+](C)CCNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000036613686 213102151 /nfs/dbraw/zinc/10/21/51/213102151.db2.gz WZZSXJBMDATWHQ-UHFFFAOYSA-N 1 0 344.768 3.789 50 0 EHAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)C(C)C)cc1 ZINC000036102223 213066943 /nfs/dbraw/zinc/06/69/43/213066943.db2.gz GFFXSDMZJVOFCZ-IBGZPJMESA-N 1 0 343.467 3.654 50 0 EHAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COCC(C)C)c1 ZINC000036098660 213066012 /nfs/dbraw/zinc/06/60/12/213066012.db2.gz JNMBAOPCBXWGAP-LJQANCHMSA-N 1 0 331.456 3.624 50 0 EHAARO Cc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C2CC2)c1 ZINC000036098822 213065908 /nfs/dbraw/zinc/06/59/08/213065908.db2.gz QLOGVRUFOYEYKI-FQEVSTJZSA-N 1 0 325.452 3.708 50 0 EHAARO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)(C)C)o1 ZINC000036097938 213065636 /nfs/dbraw/zinc/06/56/36/213065636.db2.gz HHDKOGIWZFVWBV-GOSISDBHSA-N 1 0 349.446 3.905 50 0 EHAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000032520180 212807791 /nfs/dbraw/zinc/80/77/91/212807791.db2.gz CPNUKTBOKGCDID-SFHVURJKSA-N 1 0 343.515 3.972 50 0 EHAARO CC(C)=CC[N@@H+]1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072122254 216015198 /nfs/dbraw/zinc/01/51/98/216015198.db2.gz HWTGXCFWTGTZKN-VAMGGRTRSA-N 1 0 332.438 3.793 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3cccc(F)c3)C2)cc1=O ZINC000072132102 216021879 /nfs/dbraw/zinc/02/18/79/216021879.db2.gz PUCMBIXBZAKZHJ-MRXNPFEDSA-N 1 0 344.430 3.780 50 0 EHAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](OCc3ccccn3)C2)cc1 ZINC000072138943 216026366 /nfs/dbraw/zinc/02/63/66/216026366.db2.gz HAHOWUKDEQYWIH-LWQICCLCSA-N 1 0 338.451 3.785 50 0 EHAARO O[C@H]1Cc2ccccc2C12CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000072145048 216030927 /nfs/dbraw/zinc/03/09/27/216030927.db2.gz MUMZXJLSIQNACJ-NRFANRHFSA-N 1 0 332.447 3.619 50 0 EHAARO NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)cc2)C1 ZINC000072153246 216042464 /nfs/dbraw/zinc/04/24/64/216042464.db2.gz YIZSDYLXVDLVNH-QGZVFWFLSA-N 1 0 338.451 3.956 50 0 EHAARO CSc1ccc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)cc1 ZINC000072162690 216052048 /nfs/dbraw/zinc/05/20/48/216052048.db2.gz UIQWCJLSCFPRKU-SFHVURJKSA-N 1 0 328.481 3.985 50 0 EHAARO Cc1ccc(CNC(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000072168667 216059986 /nfs/dbraw/zinc/05/99/86/216059986.db2.gz AFGXYZCYJBFWJS-IBGZPJMESA-N 1 0 329.488 3.545 50 0 EHAARO Cc1csc([C@@H]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)n1 ZINC000072300335 216137968 /nfs/dbraw/zinc/13/79/68/216137968.db2.gz DAYPNVPOOQJQLQ-QGZVFWFLSA-N 1 0 343.496 3.533 50 0 EHAARO CC(C)CNc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072418673 216205817 /nfs/dbraw/zinc/20/58/17/216205817.db2.gz TXVFWCJKPDSEFB-UHFFFAOYSA-N 1 0 344.890 3.867 50 0 EHAARO CCCc1ncc(C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000072435886 216231483 /nfs/dbraw/zinc/23/14/83/216231483.db2.gz HTHYNLBMMHGXGM-MRXNPFEDSA-N 1 0 343.446 3.859 50 0 EHAARO CSC1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CCOCC1 ZINC000195553776 241001075 /nfs/dbraw/zinc/00/10/75/241001075.db2.gz LNALDWFIUPEVDC-SFHVURJKSA-N 1 0 328.481 3.673 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1coc2cc(C)c(Cl)cc12 ZINC000215308876 241117786 /nfs/dbraw/zinc/11/77/86/241117786.db2.gz FQZAYLLIESGHNE-AWEZNQCLSA-N 1 0 334.847 3.538 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2C[NH+]2CCC(c3nccn3C)CC2)c1 ZINC000215310420 241117854 /nfs/dbraw/zinc/11/78/54/241117854.db2.gz WQHWJBUDRPBZNS-UHFFFAOYSA-N 1 0 349.482 3.807 50 0 EHAARO Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000216235623 241174062 /nfs/dbraw/zinc/17/40/62/241174062.db2.gz QADNQTNQRYRWPC-HNNXBMFYSA-N 1 0 332.517 3.877 50 0 EHAARO C[C@H]1CCN(C(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000225562182 241929816 /nfs/dbraw/zinc/92/98/16/241929816.db2.gz IGVONATZDIEUSU-LRDDRELGSA-N 1 0 340.389 3.615 50 0 EHAARO Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)C[C@@H]1c1cccs1 ZINC000227150458 242120600 /nfs/dbraw/zinc/12/06/00/242120600.db2.gz QWCOJHPPWYMUAL-GJZGRUSLSA-N 1 0 329.469 3.523 50 0 EHAARO CC1CC[NH+](CC2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000021718108 212243018 /nfs/dbraw/zinc/24/30/18/212243018.db2.gz IHIALTYXSIUZRQ-UHFFFAOYSA-N 1 0 333.451 3.802 50 0 EHAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000229506722 242169124 /nfs/dbraw/zinc/16/91/24/242169124.db2.gz UIGAIEDEDLGRPM-APWZRJJASA-N 1 0 331.481 3.771 50 0 EHAARO CCOC(=O)N1CCC([NH2+]Cc2c(Cl)cccc2Cl)CC1 ZINC000021519548 212227576 /nfs/dbraw/zinc/22/75/76/212227576.db2.gz IHIQNGCUXYIVPO-UHFFFAOYSA-N 1 0 331.243 3.704 50 0 EHAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000237076078 242470588 /nfs/dbraw/zinc/47/05/88/242470588.db2.gz WKQKISWHBVPBRL-CQSZACIVSA-N 1 0 344.405 3.703 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000243932672 243036624 /nfs/dbraw/zinc/03/66/24/243036624.db2.gz BXRGWAUSBQCCPM-AWEZNQCLSA-N 1 0 344.890 3.789 50 0 EHAARO Cc1nc(CC[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cs1 ZINC000244873239 243090737 /nfs/dbraw/zinc/09/07/37/243090737.db2.gz WMJGJIAPSDLGDJ-QGZVFWFLSA-N 1 0 326.469 3.718 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1CCn1ccc(-c2cccc(-c3ncccn3)c2)n1 ZINC000020784414 212172778 /nfs/dbraw/zinc/17/27/78/212172778.db2.gz YGSSXSCIOYLIFU-LJQANCHMSA-N 1 0 347.466 3.882 50 0 EHAARO Cc1occc1C(=O)NC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000077278440 216861979 /nfs/dbraw/zinc/86/19/79/216861979.db2.gz ZWMPCSDXZLYLCO-UHFFFAOYSA-N 1 0 348.487 3.522 50 0 EHAARO O=C(CC(F)(F)F)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000078610613 217086271 /nfs/dbraw/zinc/08/62/71/217086271.db2.gz BLEGVGWEJLSUHI-UHFFFAOYSA-N 1 0 348.796 3.621 50 0 EHAARO Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)n1 ZINC000078879309 217136926 /nfs/dbraw/zinc/13/69/26/217136926.db2.gz KHCQWBSMKDSNBV-IHWFROFDSA-N 1 0 349.478 3.624 50 0 EHAARO C[NH+]1CCC(N(C(=O)c2cccnc2Cl)c2cccc(F)c2)CC1 ZINC000078996594 217170177 /nfs/dbraw/zinc/17/01/77/217170177.db2.gz ZUMLUNMZANERKY-UHFFFAOYSA-N 1 0 347.821 3.615 50 0 EHAARO C[C@@H]([NH2+]C1(CNC(=O)CC2CCCC2)CCOCC1)c1ccccc1 ZINC000079096242 217191692 /nfs/dbraw/zinc/19/16/92/217191692.db2.gz USSWGTLHQSHOMX-QGZVFWFLSA-N 1 0 344.499 3.583 50 0 EHAARO CCn1nc(C)c(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c1C ZINC000012443435 211384327 /nfs/dbraw/zinc/38/43/27/211384327.db2.gz LRGQBSDOFVKCRJ-AWEZNQCLSA-N 1 0 337.471 3.865 50 0 EHAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000012387757 211365448 /nfs/dbraw/zinc/36/54/48/211365448.db2.gz KNTYLBVFQLUHBW-MRXNPFEDSA-N 1 0 326.465 3.898 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000012348576 211353949 /nfs/dbraw/zinc/35/39/49/211353949.db2.gz RZTMMQKRJRIMQF-AWEZNQCLSA-N 1 0 342.386 3.800 50 0 EHAARO OC[C@]1(CCOc2ccccc2)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012315969 211343703 /nfs/dbraw/zinc/34/37/03/211343703.db2.gz DGJVCCKQJFWQPN-KRWDZBQOSA-N 1 0 345.405 3.873 50 0 EHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccnc2)c1 ZINC000012306874 211341482 /nfs/dbraw/zinc/34/14/82/211341482.db2.gz PCWWVQJOPSEUCC-GOSISDBHSA-N 1 0 340.377 3.713 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC[C@@H]2CCCO)cc1C ZINC000012302736 211339538 /nfs/dbraw/zinc/33/95/38/211339538.db2.gz AYTZJAXWAMTSDS-LJQANCHMSA-N 1 0 327.472 3.821 50 0 EHAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2)N1CCc1ccccc1F ZINC000012036977 211281992 /nfs/dbraw/zinc/28/19/92/211281992.db2.gz BOUUIBAYGADOBG-IBGZPJMESA-N 1 0 340.442 3.539 50 0 EHAARO COCC[C@@]1(CO)CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000091475767 218012211 /nfs/dbraw/zinc/01/22/11/218012211.db2.gz NMTFKWFZXAEEBL-NRFANRHFSA-N 1 0 347.499 3.619 50 0 EHAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000011820766 211252387 /nfs/dbraw/zinc/25/23/87/211252387.db2.gz DGCOJBBTBUFLSW-GOSISDBHSA-N 1 0 328.456 3.972 50 0 EHAARO CC[N@H+](CCO)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000011816606 211250735 /nfs/dbraw/zinc/25/07/35/211250735.db2.gz QVWHFQDAZANZAA-UHFFFAOYSA-N 1 0 349.478 3.970 50 0 EHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000011843046 211256699 /nfs/dbraw/zinc/25/66/99/211256699.db2.gz SITKBRDBUCCDCH-UHFFFAOYSA-N 1 0 344.499 3.812 50 0 EHAARO CC[NH+]1CCC(C(=O)N2CCC[C@@H](CCc3cccc(F)c3)C2)CC1 ZINC000011759132 211244794 /nfs/dbraw/zinc/24/47/94/211244794.db2.gz MYNBUZHCXBBVQM-SFHVURJKSA-N 1 0 346.490 3.729 50 0 EHAARO COCC[C@]1(O)CC[N@H+](Cc2cccc(-c3ccccc3)c2)C[C@H]1C ZINC000091746951 218058043 /nfs/dbraw/zinc/05/80/43/218058043.db2.gz MYVVEMSFQFKQOH-XMSQKQJNSA-N 1 0 339.479 3.963 50 0 EHAARO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000011667847 211231437 /nfs/dbraw/zinc/23/14/37/211231437.db2.gz KRVFMECDRKDYJW-GOSISDBHSA-N 1 0 339.439 3.933 50 0 EHAARO Cc1nc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cs1 ZINC000091756330 218060399 /nfs/dbraw/zinc/06/03/99/218060399.db2.gz WLLFPOQWCGUZCK-PKOBYXMFSA-N 1 0 327.497 3.548 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000091846360 218075491 /nfs/dbraw/zinc/07/54/91/218075491.db2.gz GXCJTEBMALCHII-CYBMUJFWSA-N 1 0 326.843 3.672 50 0 EHAARO C/C=C(\C)C[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000092077722 218116417 /nfs/dbraw/zinc/11/64/17/218116417.db2.gz MEHOPEXTPIDIPP-CRKCGEKBSA-N 1 0 348.437 3.746 50 0 EHAARO Cn1nccc1C1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000092810447 218169487 /nfs/dbraw/zinc/16/94/87/218169487.db2.gz AVAGGCARRIDKDT-UHFFFAOYSA-N 1 0 332.451 3.862 50 0 EHAARO COc1cc2ccccc2cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000009910963 211133791 /nfs/dbraw/zinc/13/37/91/211133791.db2.gz IEXIQFRAKPYXGD-HXUWFJFHSA-N 1 0 348.446 3.881 50 0 EHAARO CC(C)[NH+]1CCC(Nc2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000009604790 211107017 /nfs/dbraw/zinc/10/70/17/211107017.db2.gz KQJZBOHSVVYMGK-UHFFFAOYSA-N 1 0 338.377 3.933 50 0 EHAARO Cc1nc(-c2ccccc2)nc(SCCC[NH+](C)C)c1[C@H](C)O ZINC000009305475 211063935 /nfs/dbraw/zinc/06/39/35/211063935.db2.gz ONXBIKGNBOQNIC-AWEZNQCLSA-N 1 0 331.485 3.549 50 0 EHAARO C[NH+]1CCC(NC(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 ZINC000095367755 218300004 /nfs/dbraw/zinc/30/00/04/218300004.db2.gz BDKLVUCGUBNJNN-UHFFFAOYSA-N 1 0 343.402 3.834 50 0 EHAARO COc1ccccc1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095374760 218307734 /nfs/dbraw/zinc/30/77/34/218307734.db2.gz QQQAYODXQGZRSF-PZJWPPBQSA-N 1 0 336.479 3.792 50 0 EHAARO CC(C)(C)n1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000095376838 218309779 /nfs/dbraw/zinc/30/97/79/218309779.db2.gz MCEZICNIANOPIX-GOSISDBHSA-N 1 0 331.504 3.724 50 0 EHAARO COc1ccc([C@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000008916953 211018405 /nfs/dbraw/zinc/01/84/05/211018405.db2.gz KBIDUGURBORKEY-FQEVSTJZSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO CCOc1ccc(C2(C[NH2+][C@@H](C)c3cccnc3)CCOCC2)cc1 ZINC000095395921 218326962 /nfs/dbraw/zinc/32/69/62/218326962.db2.gz RMCMTCSFAFFJFM-KRWDZBQOSA-N 1 0 340.467 3.879 50 0 EHAARO CCOc1ccc(C2(C[NH2+][C@H](C)c3cccnc3)CCOCC2)cc1 ZINC000095395922 218327198 /nfs/dbraw/zinc/32/71/98/218327198.db2.gz RMCMTCSFAFFJFM-QGZVFWFLSA-N 1 0 340.467 3.879 50 0 EHAARO COc1ccc([C@H](C)[NH2+]C2CCN(c3nc(C)cs3)CC2)cc1F ZINC000095419532 218359119 /nfs/dbraw/zinc/35/91/19/218359119.db2.gz MDLCCGVTTCMBPD-ZDUSSCGKSA-N 1 0 349.475 3.919 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccsc1 ZINC000095420876 218362257 /nfs/dbraw/zinc/36/22/57/218362257.db2.gz BYAFHRPAPXVACU-RDTXWAMCSA-N 1 0 344.480 3.508 50 0 EHAARO Cc1ncsc1C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000095421955 218363869 /nfs/dbraw/zinc/36/38/69/218363869.db2.gz CWBWWCZUMDGNIA-LBPRGKRZSA-N 1 0 339.258 3.827 50 0 EHAARO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc2ccccc2n1 ZINC000095422222 218364412 /nfs/dbraw/zinc/36/44/12/218364412.db2.gz KLFZYGPTEBLUNK-KKSFZXQISA-N 1 0 347.462 3.585 50 0 EHAARO C[C@@H](NC1(C[NH2+]C(C2CC2)C2CC2)CCOCC1)c1ccccc1 ZINC000095422919 218364816 /nfs/dbraw/zinc/36/48/16/218364816.db2.gz UOJRYGFLSUNBGV-MRXNPFEDSA-N 1 0 328.500 3.665 50 0 EHAARO CCc1cc(C[NH2+][C@H]2c3cc(Br)ccc3C[C@@H]2C)[nH]n1 ZINC000095451011 218395354 /nfs/dbraw/zinc/39/53/54/218395354.db2.gz TUHSNEKMUSXNAN-MGPLVRAMSA-N 1 0 334.261 3.758 50 0 EHAARO O[C@@H](C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1cccc(F)c1 ZINC000096424361 218793219 /nfs/dbraw/zinc/79/32/19/218793219.db2.gz NVMJGZJHVPTZPB-IBGZPJMESA-N 1 0 339.414 3.615 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)c(O)c(OC)c1 ZINC000004987393 210351141 /nfs/dbraw/zinc/35/11/41/210351141.db2.gz UNJVSPPJXWHZBS-LBPRGKRZSA-N 1 0 328.250 3.928 50 0 EHAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cccc(OCc2cscn2)c1 ZINC000097232280 219001485 /nfs/dbraw/zinc/00/14/85/219001485.db2.gz RSFMYZBQSDGGRT-HBUWYVDXSA-N 1 0 331.485 3.863 50 0 EHAARO Cc1n[nH]c(C2CC[NH+](Cc3ccc([C@H]4CCCCO4)s3)CC2)n1 ZINC000097272526 219008176 /nfs/dbraw/zinc/00/81/76/219008176.db2.gz WADAOCVKDHKNMJ-MRXNPFEDSA-N 1 0 346.500 3.796 50 0 EHAARO O[C@@H](COc1c(Cl)cc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000004819515 210286432 /nfs/dbraw/zinc/28/64/32/210286432.db2.gz PARURLGTYFRKCK-LLVKDONJSA-N 1 0 338.662 3.872 50 0 EHAARO C[NH+]1CCC(CC(=O)NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000097499673 219030221 /nfs/dbraw/zinc/03/02/21/219030221.db2.gz GXLVHAAJPLCXOE-UHFFFAOYSA-N 1 0 348.796 3.707 50 0 EHAARO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)o2)o1 ZINC000328587658 258046588 /nfs/dbraw/zinc/04/65/88/258046588.db2.gz DVDYPRXMUPAIAD-MRXNPFEDSA-N 1 0 327.384 3.746 50 0 EHAARO CCCc1nc2cccnc2n1C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000299793223 258098574 /nfs/dbraw/zinc/09/85/74/258098574.db2.gz HGXWDVHQEGCAIV-OAHLLOKOSA-N 1 0 330.501 3.526 50 0 EHAARO Cc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n([C@@H](C)C2CC2)n1 ZINC000299760032 258077460 /nfs/dbraw/zinc/07/74/60/258077460.db2.gz PZNRUDHSVHXRLL-ZDUSSCGKSA-N 1 0 347.507 3.593 50 0 EHAARO CC(C)[C@H](C)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 ZINC000055360853 132194725 /nfs/dbraw/zinc/19/47/25/132194725.db2.gz XLGRDSGJCNCQGY-SJORKVTESA-N 1 0 343.515 3.805 50 0 EHAARO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cs1 ZINC000179431326 533916157 /nfs/dbraw/zinc/91/61/57/533916157.db2.gz LPLYWGDPQYPAAI-INIZCTEOSA-N 1 0 332.469 3.554 50 0 EHAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCOCC2)C1 ZINC000129846690 534408259 /nfs/dbraw/zinc/40/82/59/534408259.db2.gz WDXMOROHCUQYNZ-HZPDHXFCSA-N 1 0 348.453 3.732 50 0 EHAARO CCOc1ccc(C(=O)N2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000135952138 528389975 /nfs/dbraw/zinc/38/99/75/528389975.db2.gz DVRNTHOCGCHCEM-UHFFFAOYSA-N 1 0 344.480 3.541 50 0 EHAARO CN(CCC(=O)Nc1cccc2ccccc21)C[C@H]1CCCC[N@@H+]1C ZINC000244601920 536306451 /nfs/dbraw/zinc/30/64/51/536306451.db2.gz DUKQKRKACBMTAN-GOSISDBHSA-N 1 0 339.483 3.585 50 0 EHAARO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)Cc3cnccn3)o2)cc1 ZINC000215814959 536896215 /nfs/dbraw/zinc/89/62/15/536896215.db2.gz GHCMMIPSOWMTMR-HNNXBMFYSA-N 1 0 337.423 3.808 50 0 EHAARO COc1ccc(CN2CCC([NH+]3CCCCCC3)CC2)cc1OC ZINC000000207657 563260040 /nfs/dbraw/zinc/26/00/40/563260040.db2.gz BSRWGPMRYOYXDM-UHFFFAOYSA-N 1 0 332.488 3.544 50 0 EHAARO CC[NH+](CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000002003680 563417941 /nfs/dbraw/zinc/41/79/41/563417941.db2.gz DIDYGLSKVUKRRP-UHFFFAOYSA-N 1 0 325.452 3.878 50 0 in-man EHAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)COc1ccc(Cl)cc1 ZINC000002180651 563425527 /nfs/dbraw/zinc/42/55/27/563425527.db2.gz YVMDZKMRJDHKOM-OAHLLOKOSA-N 1 0 347.842 3.783 50 0 EHAARO COc1cccc(OC)c1OCCCC[N@H+](C)Cc1ccccc1 ZINC000002822486 563452939 /nfs/dbraw/zinc/45/29/39/563452939.db2.gz OTGGVMHZVMOPAX-UHFFFAOYSA-N 1 0 329.440 3.995 50 0 EHAARO COC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccc(C)cc1 ZINC000008739261 563638393 /nfs/dbraw/zinc/63/83/93/563638393.db2.gz SXAYOOJEVALNGH-SFHVURJKSA-N 1 0 333.391 3.785 50 0 EHAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(OC(C)C)cc1C(F)(F)F ZINC000071924612 563667470 /nfs/dbraw/zinc/66/74/70/563667470.db2.gz LSGTXLJEHGDFLA-UHFFFAOYSA-N 1 0 327.350 3.814 50 0 EHAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000012705581 563668060 /nfs/dbraw/zinc/66/80/60/563668060.db2.gz UHXPCWDWFOSRKV-AWEZNQCLSA-N 1 0 336.382 3.929 50 0 EHAARO CSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000012798611 563673403 /nfs/dbraw/zinc/67/34/03/563673403.db2.gz TYNHRSCGTMMAHW-UHFFFAOYSA-N 1 0 340.492 3.934 50 0 EHAARO C[NH+](C)[C@H](CNc1ncnc2cc(Cl)ccc21)Cc1ccccc1 ZINC000012999862 563684558 /nfs/dbraw/zinc/68/45/58/563684558.db2.gz ILEHJHJVNFSRIF-INIZCTEOSA-N 1 0 340.858 3.868 50 0 EHAARO Cc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(C)cc2)cc1 ZINC000013301757 563694194 /nfs/dbraw/zinc/69/41/94/563694194.db2.gz LUQRDFCAWSXCMR-QFIPXVFZSA-N 1 0 335.471 3.954 50 0 EHAARO Cc1[nH]c2ccc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)cc2c1C ZINC000032781269 563733630 /nfs/dbraw/zinc/73/36/30/563733630.db2.gz WSVBRIYEZYRFFQ-FQEVSTJZSA-N 1 0 335.451 3.817 50 0 EHAARO CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cc(C)on1 ZINC000014185259 563748201 /nfs/dbraw/zinc/74/82/01/563748201.db2.gz YDSXVBWYHDTLGJ-ZDUSSCGKSA-N 1 0 341.333 3.509 50 0 EHAARO CC(C)(CO)C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 ZINC000014979530 563769884 /nfs/dbraw/zinc/76/98/84/563769884.db2.gz GHAFRJSUKXKNEZ-QGZVFWFLSA-N 1 0 345.462 3.633 50 0 EHAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)cc1F ZINC000015073496 563776105 /nfs/dbraw/zinc/77/61/05/563776105.db2.gz CWPUBZJMROIGGC-HNNXBMFYSA-N 1 0 346.377 3.770 50 0 EHAARO Cc1cccc(C[NH+]2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1 ZINC000016606506 563817331 /nfs/dbraw/zinc/81/73/31/563817331.db2.gz WMQLARKVGCLBPL-UHFFFAOYSA-N 1 0 348.490 3.792 50 0 EHAARO Cc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)c(C)c1 ZINC000043142132 563851920 /nfs/dbraw/zinc/85/19/20/563851920.db2.gz JIOHWTVOXRNSSV-UHFFFAOYSA-N 1 0 347.528 3.787 50 0 EHAARO CC(=O)c1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000019228188 563855195 /nfs/dbraw/zinc/85/51/95/563855195.db2.gz YKEMZDYVJDMGRF-HXUWFJFHSA-N 1 0 340.442 3.783 50 0 EHAARO CC(C)CC[N@@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019227921 563855233 /nfs/dbraw/zinc/85/52/33/563855233.db2.gz MEQHQUIVMDADGK-FQEVSTJZSA-N 1 0 349.950 3.973 50 0 EHAARO O=C(Nc1cccc2cnccc21)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043162309 563856577 /nfs/dbraw/zinc/85/65/77/563856577.db2.gz ZGKMBFAYUIHEHD-SFHVURJKSA-N 1 0 346.434 3.631 50 0 EHAARO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(C)noc2C(C)C)c1 ZINC000043270862 563861268 /nfs/dbraw/zinc/86/12/68/563861268.db2.gz QCARZTAESPBEPR-UHFFFAOYSA-N 1 0 343.471 3.878 50 0 EHAARO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@@H+]1CCc2sccc2C1 ZINC000022549929 563863529 /nfs/dbraw/zinc/86/35/29/563863529.db2.gz SUVWMZQQNHJZBA-PKOBYXMFSA-N 1 0 343.492 3.561 50 0 EHAARO O=C(c1cc2ccccc2s1)N1CCN(Cc2ccsc2)CC1 ZINC000024279315 563870219 /nfs/dbraw/zinc/87/02/19/563870219.db2.gz LKOXIISYZAJSRD-UHFFFAOYSA-N 1 0 342.489 3.921 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1occc1-c1ccccc1 ZINC000028029315 563901190 /nfs/dbraw/zinc/90/11/90/563901190.db2.gz QLYRGFAYIHPZBZ-UHFFFAOYSA-N 1 0 334.419 3.938 50 0 EHAARO CC(C)(C)[NH2+]CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000028904442 563904502 /nfs/dbraw/zinc/90/45/02/563904502.db2.gz TWZSMMRMEDNFRU-UHFFFAOYSA-N 1 0 340.471 3.857 50 0 EHAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000029358447 563905882 /nfs/dbraw/zinc/90/58/82/563905882.db2.gz QNFOADAXHBEIDH-HXUWFJFHSA-N 1 0 326.484 3.891 50 0 EHAARO CCCO[C@H]1CCC[N@@H+](C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000032603584 563914116 /nfs/dbraw/zinc/91/41/16/563914116.db2.gz GYKLWVFSHKRIIQ-FQEVSTJZSA-N 1 0 332.488 3.555 50 0 EHAARO COc1cccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000000182768 563917041 /nfs/dbraw/zinc/91/70/41/563917041.db2.gz AMPVOUMCXYCMAI-UHFFFAOYSA-N 1 0 326.484 3.642 50 0 EHAARO COc1ccc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000022078079 563918408 /nfs/dbraw/zinc/91/84/08/563918408.db2.gz CAHAGPDOCYDWTG-UHFFFAOYSA-N 1 0 340.511 3.638 50 0 EHAARO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](OC)c2ccccc2)cc1 ZINC000058007867 563936490 /nfs/dbraw/zinc/93/64/90/563936490.db2.gz UERIAQADLACBNK-LJQANCHMSA-N 1 0 337.423 3.563 50 0 EHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000058169695 563938883 /nfs/dbraw/zinc/93/88/83/563938883.db2.gz QILOMTSVYDBHJG-GFCCVEGCSA-N 1 0 338.329 3.875 50 0 EHAARO C[C@H](CNC(=O)Nc1ccccc1CC(F)(F)F)C[NH+]1CCCC1 ZINC000096462425 563954189 /nfs/dbraw/zinc/95/41/89/563954189.db2.gz VQLFIQYZCJYDMG-CYBMUJFWSA-N 1 0 343.393 3.645 50 0 EHAARO O[C@@H](C[NH2+]C1CCSCC1)c1cccc(OCc2ccccc2)c1 ZINC000096473208 563954759 /nfs/dbraw/zinc/95/47/59/563954759.db2.gz FDAMBCNNMMTOCJ-FQEVSTJZSA-N 1 0 343.492 3.784 50 0 EHAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000065363653 563958140 /nfs/dbraw/zinc/95/81/40/563958140.db2.gz OKKVHVQDABFXRI-UHFFFAOYSA-N 1 0 328.387 3.551 50 0 EHAARO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065380790 563958918 /nfs/dbraw/zinc/95/89/18/563958918.db2.gz AKSGURSHSFNICR-MNOVXSKESA-N 1 0 347.768 3.717 50 0 EHAARO Cc1cccc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 ZINC000065405278 563960037 /nfs/dbraw/zinc/96/00/37/563960037.db2.gz HRYYBIJZCQINNP-FCHUYYIVSA-N 1 0 332.447 3.894 50 0 EHAARO c1nn2cccnc2c1C[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)CC1 ZINC000065406433 563960221 /nfs/dbraw/zinc/96/02/21/563960221.db2.gz ZXMSONIUYVJXKE-OAQYLSRUSA-N 1 0 346.434 3.560 50 0 EHAARO CC(C)CCNC(=O)[C@@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071448 563963378 /nfs/dbraw/zinc/96/33/78/563963378.db2.gz UCXLXGNLWPNTNL-CYBMUJFWSA-N 1 0 348.878 3.595 50 0 EHAARO CC(C)[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CCC[N@@H+]1CC1CC1 ZINC000071748103 563965058 /nfs/dbraw/zinc/96/50/58/563965058.db2.gz DOLMULJDBJDOPY-HXUWFJFHSA-N 1 0 339.483 3.750 50 0 EHAARO COCc1ncc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)cn1 ZINC000071753181 563965234 /nfs/dbraw/zinc/96/52/34/563965234.db2.gz ZFFIXSXLQAXUPB-INIZCTEOSA-N 1 0 343.446 3.607 50 0 EHAARO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000097016429 563966747 /nfs/dbraw/zinc/96/67/47/563966747.db2.gz GFDXIFPRYFCMGT-XLIONFOSSA-N 1 0 341.524 3.674 50 0 EHAARO Cn1nc(CN2CCC[N@@H+](C3CCCC3)CC2)c2c1cccc2Cl ZINC000077320573 563968951 /nfs/dbraw/zinc/96/89/51/563968951.db2.gz ZAXVPUQBJQEPRG-UHFFFAOYSA-N 1 0 346.906 3.677 50 0 EHAARO CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCc2cccs2)o1 ZINC000077439983 563969693 /nfs/dbraw/zinc/96/96/93/563969693.db2.gz MPIHVFIJEPRQDJ-CQSZACIVSA-N 1 0 332.469 3.688 50 0 EHAARO Cc1ccc(C2(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)CC2)cc1 ZINC000077487343 563969968 /nfs/dbraw/zinc/96/99/68/563969968.db2.gz YPXZBUGTQYXKHG-OAQYLSRUSA-N 1 0 348.490 3.542 50 0 EHAARO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cc2c(s1)SCC(=O)N2 ZINC000097234830 563970833 /nfs/dbraw/zinc/97/08/33/563970833.db2.gz PTYOGJCOPYAFGH-VHSXEESVSA-N 1 0 328.503 3.647 50 0 EHAARO c1ccc2sc(CCC[NH2+][C@@H]3CCOC4(CCOCC4)C3)nc2c1 ZINC000082087412 563972060 /nfs/dbraw/zinc/97/20/60/563972060.db2.gz DXYDWDUXJDZIAT-OAHLLOKOSA-N 1 0 346.496 3.547 50 0 EHAARO CCc1nc(N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)no1 ZINC000426374108 563975020 /nfs/dbraw/zinc/97/50/20/563975020.db2.gz AZDIWTBBHTUJBO-LJQANCHMSA-N 1 0 332.492 3.505 50 0 EHAARO Cc1nc2ccccc2nc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000043998029 563977681 /nfs/dbraw/zinc/97/76/81/563977681.db2.gz KQSYZFBQZMLMKY-JXMROGBWSA-N 1 0 344.462 3.774 50 0 EHAARO CC[N@H+](C)C1(CNC(=O)Nc2ccc(F)cc2Cl)CCCC1 ZINC000096138996 563979435 /nfs/dbraw/zinc/97/94/35/563979435.db2.gz JPZIRKMPNOUIGG-UHFFFAOYSA-N 1 0 327.831 3.865 50 0 EHAARO CN(C)C(=O)c1cccc(-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000096165993 563979954 /nfs/dbraw/zinc/97/99/54/563979954.db2.gz DWLZRPSIWWIPLZ-UHFFFAOYSA-N 1 0 338.451 3.530 50 0 EHAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)cc1 ZINC000000221130 563988820 /nfs/dbraw/zinc/98/88/20/563988820.db2.gz RLBUTYJKQKNSHC-INIZCTEOSA-N 1 0 342.512 3.712 50 0 EHAARO C[C@@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1cccc(F)c1 ZINC000000262076 563989726 /nfs/dbraw/zinc/98/97/26/563989726.db2.gz WABOPVHKYITRFE-AWEZNQCLSA-N 1 0 346.475 3.542 50 0 EHAARO Fc1ccc2ccnc(NC3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000340264858 563991832 /nfs/dbraw/zinc/99/18/32/563991832.db2.gz QWUSCJFAPDHBPV-UHFFFAOYSA-N 1 0 336.414 3.845 50 0 EHAARO Cc1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000060992177 563992272 /nfs/dbraw/zinc/99/22/72/563992272.db2.gz RTOCJAWKDJHJJK-UHFFFAOYSA-N 1 0 347.462 3.890 50 0 EHAARO Cc1nnc(SCC[C@@H]2CCCC[N@H+]2C)n1-c1cccc(C)c1 ZINC000072527246 563995597 /nfs/dbraw/zinc/99/55/97/563995597.db2.gz PDAHQMRIDRJWME-INIZCTEOSA-N 1 0 330.501 3.851 50 0 EHAARO Cc1c2cc(F)ccc2sc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604074 563995715 /nfs/dbraw/zinc/99/57/15/563995715.db2.gz CPYPYAUCYBWZFF-UHFFFAOYSA-N 1 0 332.444 3.659 50 0 EHAARO Cc1ccc([C@](C)(O)C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)o1 ZINC000225578176 563996026 /nfs/dbraw/zinc/99/60/26/563996026.db2.gz AAZMWAAIUSVAKA-VQTJNVASSA-N 1 0 340.398 3.709 50 0 EHAARO Cc1csc([C@H]2CN(CCCc3nc4ccccc4o3)CCO2)n1 ZINC000065463442 563998230 /nfs/dbraw/zinc/99/82/30/563998230.db2.gz VEEZLNYSBUNBJJ-MRXNPFEDSA-N 1 0 343.452 3.599 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000005452026 564004198 /nfs/dbraw/zinc/00/41/98/564004198.db2.gz MKVUIKWSPDAFCI-HNNXBMFYSA-N 1 0 336.435 3.525 50 0 EHAARO O=C(Nc1ccc(F)cc1Cl)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172440831 564017593 /nfs/dbraw/zinc/01/75/93/564017593.db2.gz AZXUVWWNMJGVQX-UHFFFAOYSA-N 1 0 339.842 3.961 50 0 EHAARO CCC[NH+]1CCC(CNC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000194936443 564026394 /nfs/dbraw/zinc/02/63/94/564026394.db2.gz ZJDIUQHUXHTELR-UHFFFAOYSA-N 1 0 341.499 3.607 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)nc2ccc(Cl)cn12 ZINC000044977628 564028043 /nfs/dbraw/zinc/02/80/43/564028043.db2.gz AJLZBMKLYLGBHF-OAHLLOKOSA-N 1 0 345.855 3.747 50 0 EHAARO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)c3ccccn3)ccc2NC1=O ZINC000108366612 564028206 /nfs/dbraw/zinc/02/82/06/564028206.db2.gz SQYLHKUKPPKKTO-XNJGSVPQSA-N 1 0 325.412 3.603 50 0 EHAARO C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1cccnc1 ZINC000108462356 564028258 /nfs/dbraw/zinc/02/82/58/564028258.db2.gz OLABQPSSDSFUMP-BRWVUGGUSA-N 1 0 325.456 3.864 50 0 EHAARO CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000048681918 564032037 /nfs/dbraw/zinc/03/20/37/564032037.db2.gz FYGKBFQIFVTGBN-MRXNPFEDSA-N 1 0 346.906 3.561 50 0 EHAARO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)s1 ZINC000095969148 564034195 /nfs/dbraw/zinc/03/41/95/564034195.db2.gz UADHLPVMVFHVLI-FMSQNYNMSA-N 1 0 338.270 3.820 50 0 EHAARO C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc2ccccc2c1 ZINC000007500502 564034403 /nfs/dbraw/zinc/03/44/03/564034403.db2.gz MNWAKLXNBDGCPO-UHFFFAOYSA-N 1 0 344.414 3.568 50 0 EHAARO CC(C)c1ccc(C2(O)CCC([NH2+]CC3CCOCC3)CC2)cc1 ZINC000182038630 564038837 /nfs/dbraw/zinc/03/88/37/564038837.db2.gz CQFUBUUDHGYUAT-UHFFFAOYSA-N 1 0 331.500 3.956 50 0 EHAARO Cc1[nH]c2ccc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)cc2c1C ZINC000058378070 564050351 /nfs/dbraw/zinc/05/03/51/564050351.db2.gz QVGFSZHOTDZHAP-UHFFFAOYSA-N 1 0 327.472 3.730 50 0 EHAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)Nc2cccc3nsnc32)c1 ZINC000019110595 564057781 /nfs/dbraw/zinc/05/77/81/564057781.db2.gz IZXXUWIJGDRRDV-CYBMUJFWSA-N 1 0 340.452 3.597 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)Nc3ccccc3)cc2C)CC1 ZINC000012542331 564058734 /nfs/dbraw/zinc/05/87/34/564058734.db2.gz OLCVLEKIJPWVDH-UHFFFAOYSA-N 1 0 338.455 3.781 50 0 EHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000012601024 564060417 /nfs/dbraw/zinc/06/04/17/564060417.db2.gz SZKYABPSQMAMQK-LJQANCHMSA-N 1 0 338.451 3.725 50 0 EHAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC1C(C)(C)C1(C)C ZINC000534636973 564061371 /nfs/dbraw/zinc/06/13/71/564061371.db2.gz PRHRYFMHZJINDP-UHFFFAOYSA-N 1 0 337.533 3.504 50 0 EHAARO CCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc(CC[NH3+])cc1 ZINC000534661231 564061589 /nfs/dbraw/zinc/06/15/89/564061589.db2.gz PQUIJGGILIAZLF-UHFFFAOYSA-N 1 0 346.858 3.512 50 0 EHAARO CC[NH+]1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000012694157 564063338 /nfs/dbraw/zinc/06/33/38/564063338.db2.gz DQEBPOGGWDKBKS-UHFFFAOYSA-N 1 0 342.464 3.522 50 0 EHAARO CCc1ncc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)s1 ZINC000084017757 564065825 /nfs/dbraw/zinc/06/58/25/564065825.db2.gz RZAFKJRYEPOSPB-LBPRGKRZSA-N 1 0 331.441 3.513 50 0 EHAARO O=C(Nc1cccc2ncccc21)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000084535987 564068651 /nfs/dbraw/zinc/06/86/51/564068651.db2.gz OGVOBKPXJJBWJV-FQEVSTJZSA-N 1 0 331.419 3.838 50 0 EHAARO COc1cccc([C@@H](CO)[NH2+]Cc2cnc(-c3ccsc3)s2)c1 ZINC000084664923 564069506 /nfs/dbraw/zinc/06/95/06/564069506.db2.gz BJAPWUMOADBLSZ-MRXNPFEDSA-N 1 0 346.477 3.703 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000084736408 564069938 /nfs/dbraw/zinc/06/99/38/564069938.db2.gz AAXHQUOQGCYQHL-CZUORRHYSA-N 1 0 349.544 3.567 50 0 EHAARO COC(=O)N1CCC([NH2+]CC2(c3cccc(C)c3)CCCC2)CC1 ZINC000089146478 564079882 /nfs/dbraw/zinc/07/98/82/564079882.db2.gz KFHPBIQVASBANP-UHFFFAOYSA-N 1 0 330.472 3.627 50 0 EHAARO Cc1ccc([C@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000075108242 564080197 /nfs/dbraw/zinc/08/01/97/564080197.db2.gz NWSTVOAQXXPSFX-HOTGVXAUSA-N 1 0 348.537 3.812 50 0 EHAARO O=C(/C=C\c1nc2ccccc2s1)NCCC[NH+]1CCCCCC1 ZINC000212568122 564081199 /nfs/dbraw/zinc/08/11/99/564081199.db2.gz CRTHQLJZEJJJEF-KHPPLWFESA-N 1 0 343.496 3.692 50 0 EHAARO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCO[C@]3(CCSC3)C1)CCC2 ZINC000090543546 564084669 /nfs/dbraw/zinc/08/46/69/564084669.db2.gz JYKOGVDIACCCQT-OGHNNQOOSA-N 1 0 338.542 3.727 50 0 EHAARO Cc1cncc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000248921147 564086817 /nfs/dbraw/zinc/08/68/17/564086817.db2.gz KWJDBGFQSGTBSH-SJORKVTESA-N 1 0 336.357 3.717 50 0 EHAARO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369192 564087549 /nfs/dbraw/zinc/08/75/49/564087549.db2.gz TZLXHHRPSYXZGO-SGMGOOAPSA-N 1 0 332.879 3.503 50 0 EHAARO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)NC(C)(C)C ZINC000239654181 564088206 /nfs/dbraw/zinc/08/82/06/564088206.db2.gz BMVCHLAZJVLDIF-VQFNDLOPSA-N 1 0 331.504 3.583 50 0 EHAARO CC[C@@H]1CN(C(=O)c2cccc(-c3ccc(F)c(Cl)c3)c2)CC[NH2+]1 ZINC000426389637 564093568 /nfs/dbraw/zinc/09/35/68/564093568.db2.gz LMIRVWXKTMQBJL-MRXNPFEDSA-N 1 0 346.833 3.970 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc(Cl)c[nH]1 ZINC000426647306 564094301 /nfs/dbraw/zinc/09/43/01/564094301.db2.gz OYYREDQDFJWEBU-KRWDZBQOSA-N 1 0 331.847 3.625 50 0 EHAARO Cc1ccc(F)cc1-c1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000426705920 564094400 /nfs/dbraw/zinc/09/44/00/564094400.db2.gz WCWILVNDGYXNFC-SFHVURJKSA-N 1 0 326.415 3.755 50 0 EHAARO CC[C@H](C)[N@@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccco1 ZINC000169679069 564098151 /nfs/dbraw/zinc/09/81/51/564098151.db2.gz GBOUWFLOHUVCRW-PKOBYXMFSA-N 1 0 331.456 3.766 50 0 EHAARO COc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000006877351 564100363 /nfs/dbraw/zinc/10/03/63/564100363.db2.gz SHNJEAPKPAKQEX-UHFFFAOYSA-N 1 0 345.487 3.815 50 0 EHAARO CCCC[N@H+](C)Cc1nc(-c2ccc(N3CCC[C@@H](C)C3)nc2)no1 ZINC000169783466 564101087 /nfs/dbraw/zinc/10/10/87/564101087.db2.gz PDOYYHXRNUZXJC-OAHLLOKOSA-N 1 0 343.475 3.600 50 0 EHAARO CCc1oc2ccccc2c1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007043615 564103581 /nfs/dbraw/zinc/10/35/81/564103581.db2.gz UAOOYBFEDUDMOV-QGZVFWFLSA-N 1 0 331.379 3.842 50 0 EHAARO COc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000065494002 564106530 /nfs/dbraw/zinc/10/65/30/564106530.db2.gz RLXWAOQVJAPVJP-KRWDZBQOSA-N 1 0 345.487 3.671 50 0 EHAARO Cc1noc(C(C)C)c1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000065554342 564107564 /nfs/dbraw/zinc/10/75/64/564107564.db2.gz YVDWXDZSJCWCGZ-CQSZACIVSA-N 1 0 343.471 3.966 50 0 EHAARO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1C ZINC000007437291 564108465 /nfs/dbraw/zinc/10/84/65/564108465.db2.gz IBIMHFNLVQQQFD-UHFFFAOYSA-N 1 0 338.451 3.529 50 0 EHAARO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C)cc1Br ZINC000007486514 564108876 /nfs/dbraw/zinc/10/88/76/564108876.db2.gz CIUIHGTVHWEKJS-LBPRGKRZSA-N 1 0 325.250 3.570 50 0 EHAARO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@@H]1C ZINC000014670675 564113139 /nfs/dbraw/zinc/11/31/39/564113139.db2.gz HAXAGOICPJHJRB-OPYAIIAOSA-N 1 0 342.527 3.882 50 0 EHAARO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000089735569 564113457 /nfs/dbraw/zinc/11/34/57/564113457.db2.gz ZFRHDDISEZHUNT-SFHVURJKSA-N 1 0 338.480 3.980 50 0 EHAARO FC(F)(F)c1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000089794005 564113836 /nfs/dbraw/zinc/11/38/36/564113836.db2.gz OTGFMCCBGKTXES-UHFFFAOYSA-N 1 0 349.400 3.855 50 0 EHAARO O=C1CCCN1C[C@H]([NH2+]Cc1cc(Cl)cs1)c1ccccc1 ZINC000193008947 564114203 /nfs/dbraw/zinc/11/42/03/564114203.db2.gz GIMDBLWRXVWUHS-INIZCTEOSA-N 1 0 334.872 3.855 50 0 EHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000076057714 564115153 /nfs/dbraw/zinc/11/51/53/564115153.db2.gz AZKIADNHMUETQB-GUYCJALGSA-N 1 0 332.419 3.555 50 0 EHAARO CC(C)c1nc([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)cs1 ZINC000090049820 564116220 /nfs/dbraw/zinc/11/62/20/564116220.db2.gz UCZWKZDSMDGOTA-HNNXBMFYSA-N 1 0 344.528 3.977 50 0 EHAARO CN(C)c1cccc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000170639533 564117617 /nfs/dbraw/zinc/11/76/17/564117617.db2.gz MZKOOSBXJOPPPJ-LJQANCHMSA-N 1 0 330.859 3.980 50 0 EHAARO C[C@@H](NC(=O)[C@H](C[NH3+])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237412648 564117710 /nfs/dbraw/zinc/11/77/10/564117710.db2.gz ARUYYMKTPLOQMX-IAQYHMDHSA-N 1 0 337.250 3.913 50 0 EHAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000252487144 564119405 /nfs/dbraw/zinc/11/94/05/564119405.db2.gz SNRAKAZNSPVVCI-ATCYZTLESA-N 1 0 327.465 3.565 50 0 EHAARO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000252492646 564119613 /nfs/dbraw/zinc/11/96/13/564119613.db2.gz MRKKQYVAEFSEQB-GHTZIAJQSA-N 1 0 349.478 3.689 50 0 EHAARO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252511211 564120100 /nfs/dbraw/zinc/12/01/00/564120100.db2.gz DZWFLHIDKSFIKW-UXPWSPDFSA-N 1 0 341.499 3.624 50 0 EHAARO CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)c1 ZINC000170669716 564121298 /nfs/dbraw/zinc/12/12/98/564121298.db2.gz FLINBAKRUVPXLE-HOTGVXAUSA-N 1 0 340.467 3.727 50 0 EHAARO C[NH2+]C[C@H](C)C(=O)N[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000170677528 564121418 /nfs/dbraw/zinc/12/14/18/564121418.db2.gz YALGCBFDAKOAOC-KSSFIOAISA-N 1 0 330.859 3.596 50 0 EHAARO O[C@H](C[NH2+]CCC1=CCCCC1)CO[C@H]1CCCc2ccccc21 ZINC000007777149 564123004 /nfs/dbraw/zinc/12/30/04/564123004.db2.gz LGUIMFRNFPBGFE-CTNGQTDRSA-N 1 0 329.484 3.922 50 0 EHAARO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1cccc(N2CCCC2)c1 ZINC000195552361 564123700 /nfs/dbraw/zinc/12/37/00/564123700.db2.gz DUYUSHANEKUVHP-QMMLZNLJSA-N 1 0 343.515 3.588 50 0 EHAARO Cc1c(NC2CC[NH+](Cc3ccncc3)CC2)cnn1-c1ccccc1 ZINC000195554134 564123762 /nfs/dbraw/zinc/12/37/62/564123762.db2.gz FMWDERURQCXQGW-UHFFFAOYSA-N 1 0 347.466 3.652 50 0 EHAARO CCCc1cc(CNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)on1 ZINC000584885897 564131480 /nfs/dbraw/zinc/13/14/80/564131480.db2.gz VLHFSVKHNOAJKE-AWEZNQCLSA-N 1 0 345.443 3.697 50 0 EHAARO C[N@H+](CCN)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531173 564133027 /nfs/dbraw/zinc/13/30/27/564133027.db2.gz NDAWUPLIPPNPGL-CGJBRMOZSA-N 1 0 348.575 3.649 50 0 biogenic EHAARO Cc1c[nH]c(C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)n1 ZINC000585093655 564133965 /nfs/dbraw/zinc/13/39/65/564133965.db2.gz XDQXDKKGKSXZCJ-UHFFFAOYSA-N 1 0 334.261 3.593 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000012658779 564135448 /nfs/dbraw/zinc/13/54/48/564135448.db2.gz VDGSGEDIQNWBAS-YSUOHUKGSA-N 1 0 335.532 3.845 50 0 EHAARO COc1cccc([C@H](C)[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000079498264 564138265 /nfs/dbraw/zinc/13/82/65/564138265.db2.gz QVRXCZLSNFYLMN-OXJNMPFZSA-N 1 0 333.472 3.806 50 0 EHAARO O=C(N[C@H]1CCSc2ccccc21)N1CCC(c2c[nH]cn2)CC1 ZINC000390835548 564138994 /nfs/dbraw/zinc/13/89/94/564138994.db2.gz QKDYDKPYPOLMPL-HNNXBMFYSA-N 1 0 342.468 3.536 50 0 EHAARO CC(C)[NH+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C(C)C ZINC000095459776 564140757 /nfs/dbraw/zinc/14/07/57/564140757.db2.gz GPSILDRRGJIYKX-MRXNPFEDSA-N 1 0 343.427 3.669 50 0 EHAARO c1ccc(-n2nnnc2C[NH2+]C(C2CCCC2)C2CCCC2)cc1 ZINC000095462618 564140854 /nfs/dbraw/zinc/14/08/54/564140854.db2.gz DJODZMBIPMSZLE-UHFFFAOYSA-N 1 0 325.460 3.501 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNc1nc(-c2ccncc2)nc2ccccc21 ZINC000095947366 564142260 /nfs/dbraw/zinc/14/22/60/564142260.db2.gz QDVRWRAQVADAHX-INIZCTEOSA-N 1 0 333.439 3.588 50 0 EHAARO CC[NH+](CC)C1CCN(C(=O)N[C@@H](c2cccs2)C2CC2)CC1 ZINC000095953960 564142473 /nfs/dbraw/zinc/14/24/73/564142473.db2.gz ZPFKIVOUNVNVAI-QGZVFWFLSA-N 1 0 335.517 3.715 50 0 EHAARO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000095968565 564143200 /nfs/dbraw/zinc/14/32/00/564143200.db2.gz AGRIHAGQZIDSGA-DIFFPNOSSA-N 1 0 333.476 3.934 50 0 EHAARO C[C@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1F ZINC000095968745 564143277 /nfs/dbraw/zinc/14/32/77/564143277.db2.gz VEBKAMIMRRHYEF-OAHLLOKOSA-N 1 0 345.437 3.718 50 0 EHAARO CCOc1cc(C)ccc1C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000095969298 564143350 /nfs/dbraw/zinc/14/33/50/564143350.db2.gz ONZPWVILDFMBCS-UHFFFAOYSA-N 1 0 339.483 3.543 50 0 EHAARO C[C@@H]1C[C@H](Nc2cccc(C[S@](C)=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000095980663 564143685 /nfs/dbraw/zinc/14/36/85/564143685.db2.gz FEOVLFAYSJYCTK-AAORUROXSA-N 1 0 342.508 3.640 50 0 EHAARO Cc1nc2sccn2c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000095982417 564143749 /nfs/dbraw/zinc/14/37/49/564143749.db2.gz RPMXTULKOQFDSO-GOSISDBHSA-N 1 0 341.480 3.650 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1CCSc1nnc(C2CC2)n1Cc1ccco1 ZINC000283741517 564148951 /nfs/dbraw/zinc/14/89/51/564148951.db2.gz AQHSOZSSJDNTEZ-OAHLLOKOSA-N 1 0 346.500 3.763 50 0 EHAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccncc1 ZINC000002631321 564151474 /nfs/dbraw/zinc/15/14/74/564151474.db2.gz PRIFZQBWUJEIKT-APWZRJJASA-N 1 0 342.483 3.778 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000057152697 564153332 /nfs/dbraw/zinc/15/33/32/564153332.db2.gz GASFBMFSYNZVPQ-INIZCTEOSA-N 1 0 326.440 3.677 50 0 EHAARO CC[C@H](CNC(=O)c1ccc(F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000029909336 564154721 /nfs/dbraw/zinc/15/47/21/564154721.db2.gz BSKLTSRNCUKWDV-QGZVFWFLSA-N 1 0 344.405 3.532 50 0 EHAARO Cc1ccccc1NC(=S)N1CCCN(Cc2ccccc2F)C1 ZINC000058096335 564157549 /nfs/dbraw/zinc/15/75/49/564157549.db2.gz VZGJLHMFCJOGSE-UHFFFAOYSA-N 1 0 343.471 3.996 50 0 EHAARO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(c4cc[nH]n4)CC3)o2)c1 ZINC000058208459 564158048 /nfs/dbraw/zinc/15/80/48/564158048.db2.gz IDRCORAEQVFTET-CQSZACIVSA-N 1 0 337.427 3.709 50 0 EHAARO CN(Cc1ccc(Cl)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000031005002 564158368 /nfs/dbraw/zinc/15/83/68/564158368.db2.gz IUICBFHODQPYFZ-UHFFFAOYSA-N 1 0 348.233 3.862 50 0 EHAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000031766548 564159816 /nfs/dbraw/zinc/15/98/16/564159816.db2.gz DQFHKOGNOBJQMT-UHFFFAOYSA-N 1 0 342.870 3.997 50 0 EHAARO CCC[NH+]1CCC(N(C)C(=O)c2cc(C)nc3cc(F)ccc32)CC1 ZINC000069454230 564169606 /nfs/dbraw/zinc/16/96/06/564169606.db2.gz RALWBINPSSAGDZ-UHFFFAOYSA-N 1 0 343.446 3.629 50 0 EHAARO Fc1cccc2c1SCC[C@@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000069670712 564171463 /nfs/dbraw/zinc/17/14/63/564171463.db2.gz CCZHMXMKYJWXSL-INIZCTEOSA-N 1 0 344.459 3.543 50 0 EHAARO CCc1nnc2n1C[C@@H](C[NH2+]Cc1c3ccccc3oc1CC)CC2 ZINC000069776758 564172190 /nfs/dbraw/zinc/17/21/90/564172190.db2.gz RWCVLJGWGAXQIQ-CQSZACIVSA-N 1 0 338.455 3.501 50 0 EHAARO Cc1noc(C)c1C[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000070011857 564173288 /nfs/dbraw/zinc/17/32/88/564173288.db2.gz LSSOLEIBENBQOG-UHFFFAOYSA-N 1 0 346.818 3.669 50 0 EHAARO CC(C)(C)c1ccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000042206548 564174752 /nfs/dbraw/zinc/17/47/52/564174752.db2.gz LRKXACZNLYVCCD-UHFFFAOYSA-N 1 0 340.467 3.972 50 0 EHAARO CCOc1ccccc1C[N@@H+]1CCCCCCNC(=O)[C@@H]2CCC[C@@H]21 ZINC000257185168 1032661742 /nfs/dbraw/zinc/66/17/42/1032661742.db2.gz WDGCYKDPHVWRBF-MOPGFXCFSA-N 1 0 344.499 3.746 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)Cc2ccccc2)CC1 ZINC000257191003 1032818172 /nfs/dbraw/zinc/81/81/72/1032818172.db2.gz OQJYTQAEOOIVRF-UHFFFAOYSA-N 1 0 337.467 3.550 50 0 EHAARO FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341988096 1027653232 /nfs/dbraw/zinc/65/32/32/1027653232.db2.gz JLGPFYZEGMNXLY-INIZCTEOSA-N 1 0 329.362 3.587 50 0 EHAARO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000036430680 1030050228 /nfs/dbraw/zinc/05/02/28/1030050228.db2.gz ZTDOTOVLNCHEGA-OALUTQOASA-N 1 0 339.435 3.718 50 0 EHAARO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCc3ccccn3)c2)cn1 ZINC000179446174 1034313044 /nfs/dbraw/zinc/31/30/44/1034313044.db2.gz LDQQGFVWBYZVET-OAQYLSRUSA-N 1 0 348.450 3.731 50 0 EHAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000581814089 1035614024 /nfs/dbraw/zinc/61/40/24/1035614024.db2.gz SQVKKXKLYOYGDI-QGZVFWFLSA-N 1 0 337.467 3.930 50 0 EHAARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)c2ccco2)CC1 ZINC000581808489 1035618182 /nfs/dbraw/zinc/61/81/82/1035618182.db2.gz SKTOKPPFROZCMS-UHFFFAOYSA-N 1 0 327.428 3.604 50 0 EHAARO CC(C)c1cc(Br)ccc1OCC[NH2+]C[C@@H]1CCCO1 ZINC000004870308 1042555427 /nfs/dbraw/zinc/55/54/27/1042555427.db2.gz VQDDONSKHABMBD-AWEZNQCLSA-N 1 0 342.277 3.720 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(c3nnc(C(F)(F)F)s3)C2)CC1 ZINC000154146774 1122331459 /nfs/dbraw/zinc/33/14/59/1122331459.db2.gz RKYRGGPJWVFSMQ-GFCCVEGCSA-N 1 0 348.438 3.505 50 0 EHAARO COc1ccccc1[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000353433571 1124539207 /nfs/dbraw/zinc/53/92/07/1124539207.db2.gz GXGCFFVYVRIGGP-HNAYVOBHSA-N 1 0 338.451 3.767 50 0 EHAARO Cc1cc(C[N@@H+]2CCC[C@](CO)(CCOc3ccccc3)C2)oc1C ZINC000012197200 1129411431 /nfs/dbraw/zinc/41/14/31/1129411431.db2.gz PGPBBFMUIHRBAE-NRFANRHFSA-N 1 0 343.467 3.940 50 0 EHAARO COCC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)c(F)c1 ZINC000012305775 1129510144 /nfs/dbraw/zinc/51/01/44/1129510144.db2.gz YVUHOZYOWQYEML-INIZCTEOSA-N 1 0 347.434 3.615 50 0 EHAARO COCC1CC[NH+](Cc2nc(-c3ccc(OC)c(C)c3)oc2C)CC1 ZINC000012432042 1129925060 /nfs/dbraw/zinc/92/50/60/1129925060.db2.gz ODIRCTZNYMXNOI-UHFFFAOYSA-N 1 0 344.455 3.825 50 0 EHAARO c1coc(CN2CCC([NH2+]CCCn3ccc4ccccc43)CC2)c1 ZINC000820385390 1130865944 /nfs/dbraw/zinc/86/59/44/1130865944.db2.gz CGOPODJYOYHBHO-UHFFFAOYSA-N 1 0 337.467 3.879 50 0 EHAARO c1ccc(N2CC[C@H]([NH2+]CC3(N4CCCCC4)CCCC3)C2)cc1 ZINC000820414231 1130870113 /nfs/dbraw/zinc/87/01/13/1130870113.db2.gz XVFDFYWXPMMZKC-IBGZPJMESA-N 1 0 327.516 3.654 50 0 EHAARO CCCn1nc(-c2c[nH]c3ccccc23)nc1[C@@H]1CC12CC[NH2+]CC2 ZINC000823033086 1131038029 /nfs/dbraw/zinc/03/80/29/1131038029.db2.gz JUEXUVLBCJHDLC-INIZCTEOSA-N 1 0 335.455 3.694 50 0 EHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000824628643 1131214426 /nfs/dbraw/zinc/21/44/26/1131214426.db2.gz UWWOAHLADNFWMT-IBGZPJMESA-N 1 0 334.423 3.613 50 0 EHAARO Cc1cnc(C[C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1CC1CC1 ZINC000575545399 1131568124 /nfs/dbraw/zinc/56/81/24/1131568124.db2.gz LKVKOKHHFWVEME-SFHVURJKSA-N 1 0 327.447 3.805 50 0 EHAARO COCc1ncc(C)n1CC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000575548933 1131572114 /nfs/dbraw/zinc/57/21/14/1131572114.db2.gz FOPFUZHTFKWEBH-UHFFFAOYSA-N 1 0 327.472 3.559 50 0 EHAARO O=C(CCCc1ccccc1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000581787981 1132356400 /nfs/dbraw/zinc/35/64/00/1132356400.db2.gz MUYPPJVWHUFJNU-FQEVSTJZSA-N 1 0 328.500 3.734 50 0 EHAARO O=C(CC1CCCC1)N1CCC2(CC1)C[C@H]([NH+]1CCCCC1)CCO2 ZINC000581784238 1132359090 /nfs/dbraw/zinc/35/90/90/1132359090.db2.gz MSSMIIOKCWBRBX-LJQANCHMSA-N 1 0 348.531 3.593 50 0 EHAARO Clc1c2ccccc2oc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000585117619 1137010671 /nfs/dbraw/zinc/01/06/71/1137010671.db2.gz NZRKPVRVMJSGMO-UHFFFAOYSA-N 1 0 330.819 3.590 50 0 EHAARO Cc1cccc2cc(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)c(Cl)nc12 ZINC000585135392 1137021937 /nfs/dbraw/zinc/02/19/37/1137021937.db2.gz GZPPTXIDADFCMY-ZDUSSCGKSA-N 1 0 343.858 3.577 50 0 EHAARO COCc1cc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)ccc1F ZINC000192442993 1137455654 /nfs/dbraw/zinc/45/56/54/1137455654.db2.gz LCIWVQHTTBYDOC-QGZVFWFLSA-N 1 0 329.415 3.628 50 0 EHAARO COc1cccc2c1CC[C@H]([NH2+]Cc1ccn(C3CCCC3)n1)C2 ZINC000192445886 1137455686 /nfs/dbraw/zinc/45/56/86/1137455686.db2.gz UHDXMPLCSFLLGK-INIZCTEOSA-N 1 0 325.456 3.654 50 0 EHAARO c1cn(Cc2ccccc2)cc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000952845119 1137482447 /nfs/dbraw/zinc/48/24/47/1137482447.db2.gz PRFCFXXMINOKQI-LEWJYISDSA-N 1 0 333.435 3.551 50 0 EHAARO c1ccc2[nH]c([C@H]3CCC[N@H+](C4CSCCSC4)C3)nc2c1 ZINC000952867870 1137483631 /nfs/dbraw/zinc/48/36/31/1137483631.db2.gz ULRGKVWTSVSHNE-ZDUSSCGKSA-N 1 0 333.526 3.591 50 0 EHAARO Cc1cc(C)c(C[N@H+](C)CC[C@H]2CCCCO2)c(-n2cccn2)c1 ZINC000952968162 1137485016 /nfs/dbraw/zinc/48/50/16/1137485016.db2.gz AWJYSOQQNSTGID-GOSISDBHSA-N 1 0 327.472 3.880 50 0 EHAARO COc1ccc(-c2ccc(C[NH2+]CCCn3nc(C)cc3C)o2)cc1 ZINC000952985433 1137485606 /nfs/dbraw/zinc/48/56/06/1137485606.db2.gz BSXRXQAXAILPJE-UHFFFAOYSA-N 1 0 339.439 3.948 50 0 EHAARO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000104190885 1139198762 /nfs/dbraw/zinc/19/87/62/1139198762.db2.gz RRBUVFPJJVRAGR-LDZZWFCLSA-N 1 0 339.483 3.808 50 0 EHAARO c1sc(-c2ncccn2)nc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000051376466 214092294 /nfs/dbraw/zinc/09/22/94/214092294.db2.gz JWOZMPSAJBPBRH-QGZVFWFLSA-N 1 0 336.464 3.807 50 0 EHAARO C[C@H](CCc1ccccc1)[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000052829360 214149427 /nfs/dbraw/zinc/14/94/27/214149427.db2.gz VWVIVIIWZNYVAL-QGZVFWFLSA-N 1 0 337.467 3.753 50 0 EHAARO CC(C)C[N@H+](Cc1cccc(Cn2cccn2)c1)Cc1ccccn1 ZINC000055074803 214268863 /nfs/dbraw/zinc/26/88/63/214268863.db2.gz AGDGNDGDYWXZPO-UHFFFAOYSA-N 1 0 334.467 3.985 50 0 EHAARO CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000055211228 214288187 /nfs/dbraw/zinc/28/81/87/214288187.db2.gz XMNLBPVYQYVVJA-QGZVFWFLSA-N 1 0 334.891 3.714 50 0 EHAARO CCOc1cc(Cl)c(C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1OC ZINC000055225469 214291554 /nfs/dbraw/zinc/29/15/54/214291554.db2.gz UBEDUJGWSIRHCB-OAHLLOKOSA-N 1 0 349.862 3.608 50 0 EHAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055270297 214298842 /nfs/dbraw/zinc/29/88/42/214298842.db2.gz HMFLDEHGKAZJNG-UHFFFAOYSA-N 1 0 341.434 3.620 50 0 EHAARO CCCn1nc(C)c(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1C ZINC000055387163 214315435 /nfs/dbraw/zinc/31/54/35/214315435.db2.gz VIKIQBNZEPCKFJ-UHFFFAOYSA-N 1 0 341.434 3.729 50 0 EHAARO COC(=O)c1cccc(C[N@@H+](Cc2sccc2C)CC(C)C)n1 ZINC000055393719 214318300 /nfs/dbraw/zinc/31/83/00/214318300.db2.gz AUIUBPZHHFMSTI-UHFFFAOYSA-N 1 0 332.469 3.896 50 0 EHAARO C[C@H](CC(=O)N(C)C1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000057418989 214427959 /nfs/dbraw/zinc/42/79/59/214427959.db2.gz YWXIMKSJHCGSMH-CYBMUJFWSA-N 1 0 342.405 3.752 50 0 EHAARO COCc1ccccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058009817 214471274 /nfs/dbraw/zinc/47/12/74/214471274.db2.gz KBIRJUOWVVRBHA-UHFFFAOYSA-N 1 0 345.487 3.609 50 0 EHAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(Cl)cc1F ZINC000058391580 214568833 /nfs/dbraw/zinc/56/88/33/214568833.db2.gz ZLSJPICGZDOGOT-UHFFFAOYSA-N 1 0 338.854 3.864 50 0 EHAARO CC[C@]1(C)C[C@](CC(=O)O[C@H](C)C[NH+](C)C)(c2ccccc2)CCO1 ZINC000101113541 219116139 /nfs/dbraw/zinc/11/61/39/219116139.db2.gz BQVOKFAZPLBWCA-UIFIKXQLSA-N 1 0 347.499 3.787 50 0 EHAARO C[NH+](C)CCN(C(=O)c1ccco1)c1nc2ccc(Cl)cc2s1 ZINC000004359183 210180948 /nfs/dbraw/zinc/18/09/48/210180948.db2.gz YMABWLKVQLUIII-UHFFFAOYSA-N 1 0 349.843 3.751 50 0 EHAARO Cc1ccc(NC(=O)C[NH2+]C2CCCCC2)c(Br)c1 ZINC000004179489 210140071 /nfs/dbraw/zinc/14/00/71/210140071.db2.gz PWYVMUXQUNMIKV-UHFFFAOYSA-N 1 0 325.250 3.618 50 0 EHAARO COc1ccc(-c2cc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)ccn2)cc1C ZINC000065470339 214922581 /nfs/dbraw/zinc/92/25/81/214922581.db2.gz HYGZXXSZUVNTLT-GOSISDBHSA-N 1 0 348.450 3.778 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2csc(C(C)(C)C)n2)C2CC2)CC1 ZINC000065611828 214982147 /nfs/dbraw/zinc/98/21/47/214982147.db2.gz XIMQFUCDSNIHCQ-UHFFFAOYSA-N 1 0 335.517 3.530 50 0 EHAARO OC1(c2ccc(Br)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000003683484 210074198 /nfs/dbraw/zinc/07/41/98/210074198.db2.gz MZPGLOYTGMFUGC-UHFFFAOYSA-N 1 0 346.268 3.933 50 0 EHAARO O[C@H](C[NH2+]CCc1ccccc1)Cn1c2ccccc2c2c1CCCC2 ZINC000003618134 210066999 /nfs/dbraw/zinc/06/69/99/210066999.db2.gz AQNRERQKCDUYAR-LJQANCHMSA-N 1 0 348.490 3.713 50 0 EHAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cccc(OC)c2)CC1 ZINC000003588745 210058459 /nfs/dbraw/zinc/05/84/59/210058459.db2.gz YTMHEDWXHMGHRP-UHFFFAOYSA-N 1 0 335.517 3.588 50 0 EHAARO C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000044954599 213688873 /nfs/dbraw/zinc/68/88/73/213688873.db2.gz MOQFIKUSQNEYLB-QFBILLFUSA-N 1 0 344.499 3.670 50 0 EHAARO C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1 ZINC000003392049 210025259 /nfs/dbraw/zinc/02/52/59/210025259.db2.gz FENAEKBBZNBOCY-NUTIFNJFSA-N 1 0 333.472 3.734 50 0 EHAARO CC(C)c1ccccc1NC(=O)C[NH2+]CCOc1ccccc1F ZINC000003338908 210011988 /nfs/dbraw/zinc/01/19/88/210011988.db2.gz DUJNCRAEEBRUTI-UHFFFAOYSA-N 1 0 330.403 3.556 50 0 EHAARO COc1ccc(Cl)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000043168600 213565813 /nfs/dbraw/zinc/56/58/13/213565813.db2.gz IEKCEJXGQJMTQX-UHFFFAOYSA-N 1 0 339.867 3.591 50 0 EHAARO COc1cc([C@@H](C)[NH2+]Cc2cc3ccccc3o2)ccc1OCCO ZINC000067449432 215148306 /nfs/dbraw/zinc/14/83/06/215148306.db2.gz UOHZKJSSQFEVNR-CQSZACIVSA-N 1 0 341.407 3.663 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000067473537 215152368 /nfs/dbraw/zinc/15/23/68/215152368.db2.gz SYVXZPWZTPSPQW-MRXNPFEDSA-N 1 0 335.455 3.796 50 0 EHAARO CCn1nc(C)c(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c1C ZINC000067676496 215182625 /nfs/dbraw/zinc/18/26/25/215182625.db2.gz JBTRDMFLECMCAB-OAQYLSRUSA-N 1 0 344.547 3.608 50 0 EHAARO Cc1c(C[N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cnn1C ZINC000067739762 215198837 /nfs/dbraw/zinc/19/88/37/215198837.db2.gz MLOWAIXFPWTXTP-UHFFFAOYSA-N 1 0 345.450 3.675 50 0 EHAARO O[C@@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2 ZINC000002966419 209948560 /nfs/dbraw/zinc/94/85/60/209948560.db2.gz QAYUNTRZCAAPDI-LJQANCHMSA-N 1 0 327.835 3.600 50 0 EHAARO CCCC[NH2+]CCCCOc1ccc(I)cc1 ZINC000002897933 209939602 /nfs/dbraw/zinc/93/96/02/209939602.db2.gz AOEKQLJMBDRWAU-UHFFFAOYSA-N 1 0 347.240 3.840 50 0 EHAARO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)Nc3ccccc3)C2)oc1C ZINC000067920681 215250490 /nfs/dbraw/zinc/25/04/90/215250490.db2.gz AKMKFNNEWSTBIH-MRXNPFEDSA-N 1 0 327.428 3.540 50 0 EHAARO COc1ccccc1[C@@H](CNc1ccc(C(F)(F)F)cn1)[NH+](C)C ZINC000040160629 213277400 /nfs/dbraw/zinc/27/74/00/213277400.db2.gz VWPITFBZQICNHC-CQSZACIVSA-N 1 0 339.361 3.824 50 0 EHAARO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000040153475 213274348 /nfs/dbraw/zinc/27/43/48/213274348.db2.gz UIGAIEDEDLGRPM-QFBILLFUSA-N 1 0 331.481 3.771 50 0 EHAARO C[C@@H](SCc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040140907 213272154 /nfs/dbraw/zinc/27/21/54/213272154.db2.gz FJNOKWXBFULCMC-GDBMZVCRSA-N 1 0 348.537 3.789 50 0 EHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c(F)cccc1F ZINC000040043247 213254684 /nfs/dbraw/zinc/25/46/84/213254684.db2.gz QBWKHXRGCUZMRG-QGZVFWFLSA-N 1 0 330.378 3.532 50 0 EHAARO CCOc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000038629290 213217740 /nfs/dbraw/zinc/21/77/40/213217740.db2.gz YJGWDPULGAOWIQ-HNNXBMFYSA-N 1 0 333.457 3.571 50 0 EHAARO CC(C)Sc1ccc(CC(=O)NCC2CC[NH+](C(C)C)CC2)cc1 ZINC000038582450 213216244 /nfs/dbraw/zinc/21/62/44/213216244.db2.gz QMIAEISUZQTIHG-UHFFFAOYSA-N 1 0 348.556 3.966 50 0 EHAARO O=C(Nc1nc2c(s1)C[NH2+]CC2)Nc1cc(Cl)ccc1Cl ZINC000036233218 213077263 /nfs/dbraw/zinc/07/72/63/213077263.db2.gz XDXZAUIRJXKHNM-UHFFFAOYSA-N 1 0 343.239 3.740 50 0 EHAARO CC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103929 213069363 /nfs/dbraw/zinc/06/93/63/213069363.db2.gz YFQOFIQRVZJUDQ-LJQANCHMSA-N 1 0 341.451 3.805 50 0 EHAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C(C)C ZINC000036104142 213069239 /nfs/dbraw/zinc/06/92/39/213069239.db2.gz DOAMTWTZGCEJPY-SFHVURJKSA-N 1 0 349.421 3.924 50 0 EHAARO CC[C@H](C)[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COc1ccccc1 ZINC000036098359 213064469 /nfs/dbraw/zinc/06/44/69/213064469.db2.gz TVOIJOLZYLXWOQ-HKUYNNGSSA-N 1 0 343.467 3.736 50 0 EHAARO CC(C)(C)OC[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036096853 213063517 /nfs/dbraw/zinc/06/35/17/213063517.db2.gz XUWOKZBXRVHUMA-HXUWFJFHSA-N 1 0 327.468 3.865 50 0 EHAARO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036095502 213063844 /nfs/dbraw/zinc/06/38/44/213063844.db2.gz SIZGBYKHBJAINL-LJQANCHMSA-N 1 0 331.431 3.786 50 0 EHAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2)cc1 ZINC000036094927 213063930 /nfs/dbraw/zinc/06/39/30/213063930.db2.gz QPVYCYPGIACDSH-HXUWFJFHSA-N 1 0 327.468 3.893 50 0 EHAARO Cc1ccccc1[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC000072117441 216012769 /nfs/dbraw/zinc/01/27/69/216012769.db2.gz HSGQBNJACHRWIH-JOCHJYFZSA-N 1 0 336.479 3.933 50 0 EHAARO C[C@@H](c1cncs1)N(C)C(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072129631 216020692 /nfs/dbraw/zinc/02/06/92/216020692.db2.gz DFEMZMPXGHMQMG-AWEZNQCLSA-N 1 0 343.496 3.518 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCC[C@@H](CCc3cccc(F)c3)C2)cc1=O ZINC000072132103 216022305 /nfs/dbraw/zinc/02/23/05/216022305.db2.gz PUCMBIXBZAKZHJ-INIZCTEOSA-N 1 0 344.430 3.780 50 0 EHAARO CC(C)c1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(C(F)(F)F)n1 ZINC000072134299 216023142 /nfs/dbraw/zinc/02/31/42/216023142.db2.gz MDBYEBMCDOUWHW-GFCCVEGCSA-N 1 0 330.398 3.539 50 0 EHAARO CC(C)(CN1CCN(Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000072143190 216029000 /nfs/dbraw/zinc/02/90/00/216029000.db2.gz AABNLXCJGUZJFC-UHFFFAOYSA-N 1 0 349.950 3.580 50 0 EHAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2cccnc2)CC1 ZINC000072165665 216054298 /nfs/dbraw/zinc/05/42/98/216054298.db2.gz CAWNIARFYWORJV-UHFFFAOYSA-N 1 0 336.357 3.584 50 0 EHAARO COc1coc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)cc1=O ZINC000072168857 216061120 /nfs/dbraw/zinc/06/11/20/216061120.db2.gz VCQFJIRCASSANK-HNNXBMFYSA-N 1 0 345.414 3.632 50 0 EHAARO COCCn1cncc1C[N@@H+]1CCC[C@H](CCc2ccccc2C)C1 ZINC000072170528 216061794 /nfs/dbraw/zinc/06/17/94/216061794.db2.gz MBOAHIYVTACPKE-LJQANCHMSA-N 1 0 341.499 3.683 50 0 EHAARO Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000072273920 216096576 /nfs/dbraw/zinc/09/65/76/216096576.db2.gz FRSMMAFCERHYQY-QGZVFWFLSA-N 1 0 343.496 3.881 50 0 EHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3cccnc32)C[C@@H]1C ZINC000072305955 216145050 /nfs/dbraw/zinc/14/50/50/216145050.db2.gz VZOPXZFACAUSQX-GOEBONIOSA-N 1 0 326.444 3.571 50 0 EHAARO CC(C)(O)CCc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000072417871 216206597 /nfs/dbraw/zinc/20/65/97/216206597.db2.gz KQPSGMOSHDAUBW-UHFFFAOYSA-N 1 0 344.543 3.840 50 0 EHAARO COc1ccc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)cc1F ZINC000072431477 216223613 /nfs/dbraw/zinc/22/36/13/216223613.db2.gz KTJASMJHHRHSAY-FQEVSTJZSA-N 1 0 343.442 3.650 50 0 EHAARO CCOc1cc(-c2nccn2[C@@H]2CC[NH2+]C2)cc(Cl)c1OCC ZINC000072453451 216241097 /nfs/dbraw/zinc/24/10/97/216241097.db2.gz WRMMWJAKNIUXOW-CYBMUJFWSA-N 1 0 335.835 3.535 50 0 EHAARO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000072858702 216317977 /nfs/dbraw/zinc/31/79/77/216317977.db2.gz UPWPVKRISVOSNH-KBPBESRZSA-N 1 0 336.430 3.766 50 0 EHAARO O=C(Cc1ccc(Cl)cc1)NCC1CC[NH+](Cc2ccco2)CC1 ZINC000023128005 212352072 /nfs/dbraw/zinc/35/20/72/212352072.db2.gz XBEBDKSXTJGFJG-UHFFFAOYSA-N 1 0 346.858 3.504 50 0 EHAARO C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000023039496 212344490 /nfs/dbraw/zinc/34/44/90/212344490.db2.gz WSXDMECCIWHRRA-ZDUSSCGKSA-N 1 0 327.815 3.541 50 0 EHAARO OCC1CCN([C@@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000022851166 212329633 /nfs/dbraw/zinc/32/96/33/212329633.db2.gz PZXDUGYEFRUJOQ-OAQYLSRUSA-N 1 0 338.495 3.509 50 0 EHAARO CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)[NH+](C)C ZINC000022754965 212320771 /nfs/dbraw/zinc/32/07/71/212320771.db2.gz QOSACGSARZTLFD-LJQANCHMSA-N 1 0 344.430 3.934 50 0 EHAARO CC[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000022683098 212316256 /nfs/dbraw/zinc/31/62/56/212316256.db2.gz SKEIAPKEOFSDFW-RBUKOAKNSA-N 1 0 328.431 3.738 50 0 EHAARO CC(C)[NH+](CCNC(=O)CCCc1c[nH]c2ccccc12)C(C)C ZINC000022623093 212312036 /nfs/dbraw/zinc/31/20/36/212312036.db2.gz YGGCJVZCADYMQI-UHFFFAOYSA-N 1 0 329.488 3.726 50 0 EHAARO Cc1nc2cc(F)ccc2cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000229629911 242185199 /nfs/dbraw/zinc/18/51/99/242185199.db2.gz CRDMMPKFDURCLO-ZIAGYGMSSA-N 1 0 343.446 3.533 50 0 EHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Oc3ccccc3)o2)[C@@H](C)C1 ZINC000229853832 242209174 /nfs/dbraw/zinc/20/91/74/242209174.db2.gz FTLZEAPBZLREGZ-DOTOQJQBSA-N 1 0 342.439 3.874 50 0 EHAARO CC[NH+]1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccccn2)CC1 ZINC000021486767 212226821 /nfs/dbraw/zinc/22/68/21/212226821.db2.gz HTYVABBUQLNZKB-NRFANRHFSA-N 1 0 334.467 3.598 50 0 EHAARO CCOc1cccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCC2)c1 ZINC000021170575 212214338 /nfs/dbraw/zinc/21/43/38/212214338.db2.gz NZFCKUZESWSOCP-IBGZPJMESA-N 1 0 344.499 3.956 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccco1)NCc1cccc(Cl)c1 ZINC000244708303 243064013 /nfs/dbraw/zinc/06/40/13/243064013.db2.gz KRHIXKZLVMDJSB-MRXNPFEDSA-N 1 0 332.831 3.776 50 0 EHAARO Cc1cccc(NC(=O)CC[N@@H+](C)[C@@H](C)Cc2ncccc2C)c1C ZINC000243885891 243027782 /nfs/dbraw/zinc/02/77/82/243027782.db2.gz ADHFCFHTHMPTJK-KRWDZBQOSA-N 1 0 339.483 3.898 50 0 EHAARO COc1ccnc(C[NH+]2CCC(c3nc4c(cccc4C)[nH]3)CC2)c1 ZINC000244647044 243051923 /nfs/dbraw/zinc/05/19/23/243051923.db2.gz GUDCLODGMSQNGW-UHFFFAOYSA-N 1 0 336.439 3.655 50 0 EHAARO Cc1ccccc1C[NH+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000020868219 212179853 /nfs/dbraw/zinc/17/98/53/212179853.db2.gz QERLTJCSUOIDDQ-UHFFFAOYSA-N 1 0 346.478 3.703 50 0 EHAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000020781633 212172563 /nfs/dbraw/zinc/17/25/63/212172563.db2.gz SJKRNMBNNNMMAG-IBGZPJMESA-N 1 0 348.494 3.702 50 0 EHAARO C[C@H](c1nnc(-c2ccccc2F)s1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000252490721 243795230 /nfs/dbraw/zinc/79/52/30/243795230.db2.gz KZQPGAWBYCKPMV-KGLIPLIRSA-N 1 0 348.491 3.821 50 0 EHAARO Cc1nc(CC[NH+]2CCC(Oc3cccc(F)c3)CC2)c(C)s1 ZINC000020452185 212131128 /nfs/dbraw/zinc/13/11/28/212131128.db2.gz ZVWXOFHHJKDPNK-UHFFFAOYSA-N 1 0 334.460 3.985 50 0 EHAARO CCOc1cc(CN2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)ccc1OC ZINC000019831775 212072704 /nfs/dbraw/zinc/07/27/04/212072704.db2.gz DXNPGRXEKLISFW-IEBWSBKVSA-N 1 0 346.515 3.790 50 0 EHAARO CCCCc1nc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c[nH]1 ZINC000019811611 212070615 /nfs/dbraw/zinc/07/06/15/212070615.db2.gz WYFXUANBAICZGS-HXUWFJFHSA-N 1 0 340.515 3.849 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000078553106 217073898 /nfs/dbraw/zinc/07/38/98/217073898.db2.gz SUUSXQFVCQSRAR-SNVBAGLBSA-N 1 0 327.350 3.786 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2coc(-c3ccccc3)n2)o1 ZINC000078552434 217074204 /nfs/dbraw/zinc/07/42/04/217074204.db2.gz LRXYCZZBJIXJOO-UHFFFAOYSA-N 1 0 348.406 3.965 50 0 EHAARO Cc1cccc(N2C[C@](O)(c3ccc(C)cc3C)[N+]3=C2CCCC3)c1 ZINC000017180352 211959244 /nfs/dbraw/zinc/95/92/44/211959244.db2.gz MADQYXXUKSEWQJ-QFIPXVFZSA-N 1 0 335.471 3.872 50 0 EHAARO Cc1ccccc1-c1nnc(SCC[NH+]2CCC(C)CC2)n1C ZINC000079094961 217190736 /nfs/dbraw/zinc/19/07/36/217190736.db2.gz IISLXXFVULCAGF-UHFFFAOYSA-N 1 0 330.501 3.615 50 0 EHAARO Cc1csc2nc(C[NH2+][C@@H](c3ccccc3)C(C)C)cc(=O)n12 ZINC000015550175 211829216 /nfs/dbraw/zinc/82/92/16/211829216.db2.gz MLBPCXLJYGTDFA-QGZVFWFLSA-N 1 0 327.453 3.551 50 0 EHAARO CC1(C)CC(NC(=O)c2cccn2Cc2cccs2)CC(C)(C)[NH2+]1 ZINC000080323321 217298050 /nfs/dbraw/zinc/29/80/50/217298050.db2.gz NIAKURVAWSZARJ-UHFFFAOYSA-N 1 0 345.512 3.637 50 0 EHAARO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1occc1Br ZINC000089513172 217806840 /nfs/dbraw/zinc/80/68/40/217806840.db2.gz QSVCYZHDRSIYBC-NSHDSACASA-N 1 0 329.282 3.956 50 0 EHAARO c1cc(C[NH2+]C[C@H]2COc3ccccc3C2)n(Cc2ccccc2)c1 ZINC000089841087 217859001 /nfs/dbraw/zinc/85/90/01/217859001.db2.gz KHRUNNQTJVKFJG-IBGZPJMESA-N 1 0 332.447 3.877 50 0 EHAARO CC[NH+]1CCC(C(=O)N2CCC[C@@H](CCc3ccccc3C)C2)CC1 ZINC000012442794 211383734 /nfs/dbraw/zinc/38/37/34/211383734.db2.gz OYJNPNQFSYSKKC-IBGZPJMESA-N 1 0 342.527 3.898 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012373462 211359496 /nfs/dbraw/zinc/35/94/96/211359496.db2.gz WNIGYJOTATUTJH-NRFANRHFSA-N 1 0 343.442 3.652 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000012382519 211363531 /nfs/dbraw/zinc/36/35/31/211363531.db2.gz VIFOGBUAGDPXDR-UHFFFAOYSA-N 1 0 329.271 3.525 50 0 EHAARO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000090086903 217915705 /nfs/dbraw/zinc/91/57/05/217915705.db2.gz FWQMHLAUCFZDGY-NHYWBVRUSA-N 1 0 326.278 3.823 50 0 EHAARO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000012304121 211339824 /nfs/dbraw/zinc/33/98/24/211339824.db2.gz FWDCGNPYBHJQBH-HNNXBMFYSA-N 1 0 349.434 3.818 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)cc1O ZINC000012197622 211316652 /nfs/dbraw/zinc/31/66/52/211316652.db2.gz CONJAXNQFKZCBF-QGZVFWFLSA-N 1 0 330.403 3.616 50 0 EHAARO CCC(CC)C[NH+]1CCC2(C[C@@H]2C(=O)NCCc2ccccc2)CC1 ZINC000012053809 211285321 /nfs/dbraw/zinc/28/53/21/211285321.db2.gz ZJBZWOMPVWQYGH-HXUWFJFHSA-N 1 0 342.527 3.884 50 0 EHAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1Cc1cccc(F)c1 ZINC000012050258 211282947 /nfs/dbraw/zinc/28/29/47/211282947.db2.gz YNQQNQFDQIMHOO-GOSISDBHSA-N 1 0 344.405 3.636 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(F)c1 ZINC000012005538 211280220 /nfs/dbraw/zinc/28/02/20/211280220.db2.gz ADDSUPUKLVXOBK-NRFANRHFSA-N 1 0 343.442 3.652 50 0 EHAARO CC[C@H]1C[N@H+](Cc2cccc(OC)c2)Cc2cc(OC)ccc2O1 ZINC000011881877 211264316 /nfs/dbraw/zinc/26/43/16/211264316.db2.gz JMQHXMCEZJSAOD-KRWDZBQOSA-N 1 0 327.424 3.877 50 0 EHAARO CC(C)C[NH+]1CCC([C@@H]2CCN(C(=O)C3(C(F)(F)F)CC3)C2)CC1 ZINC000011935054 211272294 /nfs/dbraw/zinc/27/22/94/211272294.db2.gz GFELWEVJQHTDEC-OAHLLOKOSA-N 1 0 346.437 3.545 50 0 EHAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)C1 ZINC000091459979 218009519 /nfs/dbraw/zinc/00/95/19/218009519.db2.gz SBQOPFSVPVJZKR-LJQANCHMSA-N 1 0 338.499 3.501 50 0 EHAARO CSc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1 ZINC000011880080 211264989 /nfs/dbraw/zinc/26/49/89/211264989.db2.gz ITRQGXROCUVSLP-HNNXBMFYSA-N 1 0 332.513 3.679 50 0 EHAARO O=C(c1cc(F)cc(Cl)c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091620429 218032100 /nfs/dbraw/zinc/03/21/00/218032100.db2.gz CCIOOQRWYDSQTB-KRWDZBQOSA-N 1 0 338.854 3.960 50 0 EHAARO CN(C)c1ncc2c(n1)CCC[C@@H]2[NH2+]Cc1ccccc1-c1ccco1 ZINC000011843676 211256796 /nfs/dbraw/zinc/25/67/96/211256796.db2.gz LNOTVZIDPCDXTO-SFHVURJKSA-N 1 0 348.450 3.970 50 0 EHAARO CNc1cc(C)[nH+]c(N[C@@H]2CCCc3nc(-c4ccccc4)ncc32)n1 ZINC000091746113 218058568 /nfs/dbraw/zinc/05/85/68/218058568.db2.gz MCERRWBYJJFDBV-QGZVFWFLSA-N 1 0 346.438 3.773 50 0 EHAARO Cc1c[nH]c(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)n1 ZINC000011661954 211229198 /nfs/dbraw/zinc/22/91/98/211229198.db2.gz AHVVDVBCPJGARC-FQEVSTJZSA-N 1 0 330.520 3.586 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(C)cc2)cc1 ZINC000009836557 211126824 /nfs/dbraw/zinc/12/68/24/211126824.db2.gz DAFYVTAWTSYUNV-UHFFFAOYSA-N 1 0 339.483 3.836 50 0 EHAARO Cc1cc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc(C)c1Cl ZINC000009441502 211085121 /nfs/dbraw/zinc/08/51/21/211085121.db2.gz DRPZDBYGBLRKOR-XHSDSOJGSA-N 1 0 325.880 3.959 50 0 EHAARO Cc1cc(F)ccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095357374 218290795 /nfs/dbraw/zinc/29/07/95/218290795.db2.gz CJPDMRAYEIWOQB-LAUBAEHRSA-N 1 0 339.458 3.626 50 0 EHAARO CCc1nc(C)c(CNC(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000095380548 218312691 /nfs/dbraw/zinc/31/26/91/218312691.db2.gz RVACWKSGNPRUJC-JKSUJKDBSA-N 1 0 349.544 3.675 50 0 EHAARO CCCc1nnc(N2CCC([N@H+](CC)Cc3ccccc3)CC2)o1 ZINC000095381049 218313564 /nfs/dbraw/zinc/31/35/64/218313564.db2.gz RPPXJAYJLJKEPY-UHFFFAOYSA-N 1 0 328.460 3.513 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1N(C)C ZINC000095420073 218361123 /nfs/dbraw/zinc/36/11/23/218361123.db2.gz YDEOYRSEJSCOLJ-OAHLLOKOSA-N 1 0 342.462 3.738 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1ccsc1 ZINC000095420875 218361764 /nfs/dbraw/zinc/36/17/64/218361764.db2.gz BYAFHRPAPXVACU-KBXCAEBGSA-N 1 0 344.480 3.508 50 0 EHAARO COc1ccc(C[C@H]([NH2+]C2CCOCC2)c2ccccc2)cc1OC ZINC000095421708 218364229 /nfs/dbraw/zinc/36/42/29/218364229.db2.gz FPFZSPBSDFZVGS-IBGZPJMESA-N 1 0 341.451 3.756 50 0 EHAARO CC(C)(C)C[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000095423157 218365267 /nfs/dbraw/zinc/36/52/67/218365267.db2.gz VHNLMNORUUUZMS-MRXNPFEDSA-N 1 0 337.895 3.950 50 0 EHAARO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1C)c1c(C)nn(C)c1C ZINC000095423448 218366372 /nfs/dbraw/zinc/36/63/72/218366372.db2.gz XIKBZGDBBPPIHC-WMLDXEAASA-N 1 0 342.487 3.803 50 0 EHAARO CC(C)[C@@H](C)[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CC1 ZINC000095453807 218397455 /nfs/dbraw/zinc/39/74/55/218397455.db2.gz SXXCEZKAAABNBD-CQSZACIVSA-N 1 0 341.455 3.857 50 0 EHAARO O=C(Nc1ccc(Cl)cc1F)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000096148381 218626170 /nfs/dbraw/zinc/62/61/70/218626170.db2.gz OMDKJCJNAZTDII-AWEZNQCLSA-N 1 0 339.842 3.961 50 0 EHAARO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000096494324 218871666 /nfs/dbraw/zinc/87/16/66/218871666.db2.gz HPKGXVUUTSHGSK-INIZCTEOSA-N 1 0 345.487 3.558 50 0 EHAARO CCNC(=O)N1CCC([NH2+][C@@H](c2ccccc2OC)C(C)(C)C)CC1 ZINC000097082164 218942832 /nfs/dbraw/zinc/94/28/32/218942832.db2.gz HQBDCIMMGHULIS-SFHVURJKSA-N 1 0 347.503 3.566 50 0 EHAARO COC(C)(C)C[C@@H](C)[N@@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097436755 219024843 /nfs/dbraw/zinc/02/48/43/219024843.db2.gz YQMVUIDSIGHONG-GFCCVEGCSA-N 1 0 349.425 3.917 50 0 EHAARO COc1cccc([C@H](C[NH2+]Cc2cc(F)ccc2F)N2CCCC2)c1 ZINC000097465484 219026410 /nfs/dbraw/zinc/02/64/10/219026410.db2.gz PIBJPRRDTTXZPP-FQEVSTJZSA-N 1 0 346.421 3.900 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000299744345 257932796 /nfs/dbraw/zinc/93/27/96/257932796.db2.gz SBOLSCORAJTBHR-WCFLWFBJSA-N 1 0 342.361 3.789 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000299738552 258010440 /nfs/dbraw/zinc/01/04/40/258010440.db2.gz CEELBMBGKINAHO-JKSUJKDBSA-N 1 0 330.472 3.598 50 0 EHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000299738550 258010984 /nfs/dbraw/zinc/01/09/84/258010984.db2.gz CEELBMBGKINAHO-HOTGVXAUSA-N 1 0 330.472 3.598 50 0 EHAARO O=C1[C@@H]2CCCC[C@H]2[C@H]([NH2+]CCc2ccccc2)N1Cc1ccccc1 ZINC000334163101 258015886 /nfs/dbraw/zinc/01/58/86/258015886.db2.gz LMZZXKYFXFRXTN-YPAWHYETSA-N 1 0 348.490 3.994 50 0 EHAARO CSCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C)c2)CC1 ZINC000299771437 258083414 /nfs/dbraw/zinc/08/34/14/258083414.db2.gz WYUDXOJQJNLCIQ-UHFFFAOYSA-N 1 0 341.908 3.597 50 0 EHAARO COc1cccc([C@@H]2CCN2C(=O)Nc2c(C)cc(C)nc2C)c1 ZINC000299786089 258093172 /nfs/dbraw/zinc/09/31/72/258093172.db2.gz PDJRSTXRPDEUJT-KRWDZBQOSA-N 1 0 325.412 3.994 50 0 EHAARO C[C@H](c1cccc(Br)c1)[NH+]1CCC(c2nncn2C)CC1 ZINC000089905150 258066380 /nfs/dbraw/zinc/06/63/80/258066380.db2.gz GHFDYRFFZVLGEK-GFCCVEGCSA-N 1 0 349.276 3.518 50 0 EHAARO C(C[NH+]1CCCC1)SCc1nc(C2CC2)nn1C1CCCCC1 ZINC000096142066 258067603 /nfs/dbraw/zinc/06/76/03/258067603.db2.gz IFDBINXXBGGSQC-UHFFFAOYSA-N 1 0 334.533 3.990 50 0 EHAARO CC(C)C[C@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1cccnc1 ZINC000299757481 258075727 /nfs/dbraw/zinc/07/57/27/258075727.db2.gz HWJHVYQQSBWKRL-SFHVURJKSA-N 1 0 329.488 3.694 50 0 EHAARO COc1cccc(-c2cnc(C(F)(F)F)nc2C2CC[NH2+]CC2)c1 ZINC000299759718 258077201 /nfs/dbraw/zinc/07/72/01/258077201.db2.gz OMAFQDCXTGISMM-UHFFFAOYSA-N 1 0 337.345 3.638 50 0 EHAARO CC[C@@H](C)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@@H]3C)cc2)CC1 ZINC000055060983 132193406 /nfs/dbraw/zinc/19/34/06/132193406.db2.gz HQIAKMYEODCDRY-CVEARBPZSA-N 1 0 329.488 3.559 50 0 EHAARO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2coc3ccccc23)CC1 ZINC000253425473 523767194 /nfs/dbraw/zinc/76/71/94/523767194.db2.gz MHXGGUZMGOGCEL-UHFFFAOYSA-N 1 0 338.407 3.762 50 0 EHAARO Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C(C)C)cc1 ZINC000036101804 524416818 /nfs/dbraw/zinc/41/68/18/524416818.db2.gz MAHLGJBTGOWGLA-HXUWFJFHSA-N 1 0 327.468 3.954 50 0 EHAARO COc1ccc([C@@H](C)Nc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)cc1 ZINC000244795869 525164942 /nfs/dbraw/zinc/16/49/42/525164942.db2.gz ROVOQNQQEOYZIN-DAXOMENPSA-N 1 0 338.455 3.740 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@]3(CCCO3)CC2)cc(Cl)c1OC ZINC000215416206 536759650 /nfs/dbraw/zinc/75/96/50/536759650.db2.gz GCDXTPZESBGCPY-SFHVURJKSA-N 1 0 339.863 3.892 50 0 EHAARO C=C1[NH+]=C(NC)S[C@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000001410011 564065322 /nfs/dbraw/zinc/06/53/22/564065322.db2.gz BTVXNLWKVHBBCM-GFCCVEGCSA-N 1 0 345.251 3.804 50 0 EHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC000034670313 563445255 /nfs/dbraw/zinc/44/52/55/563445255.db2.gz SQAKSVNMLVGUIF-QGZVFWFLSA-N 1 0 342.414 3.663 50 0 EHAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000005611380 563542925 /nfs/dbraw/zinc/54/29/25/563542925.db2.gz WIYQPGDOIYFSQF-MBNYWOFBSA-N 1 0 332.271 3.996 50 0 EHAARO CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006159424 563559947 /nfs/dbraw/zinc/55/99/47/563559947.db2.gz OLJOVCPMOGVJLO-HXUWFJFHSA-N 1 0 339.479 3.782 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000006702473 563580388 /nfs/dbraw/zinc/58/03/88/563580388.db2.gz XBICVTDXJVTSOI-UHFFFAOYSA-N 1 0 341.451 3.884 50 0 EHAARO C[C@H](Nc1nc(N2CC[NH+](C)CC2)nc2ccccc21)c1ccccc1 ZINC000006702042 563580508 /nfs/dbraw/zinc/58/05/08/563580508.db2.gz KNANFVBOVIAAEK-INIZCTEOSA-N 1 0 347.466 3.555 50 0 EHAARO Cc1nc(N2CCC([N@@H+](C)C(C)C)CC2)nc2cc3c(cc12)CCC3 ZINC000012056626 563652710 /nfs/dbraw/zinc/65/27/10/563652710.db2.gz SPOBTGUUQIROFP-UHFFFAOYSA-N 1 0 338.499 3.736 50 0 EHAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000012448022 563661222 /nfs/dbraw/zinc/66/12/22/563661222.db2.gz LYHDVCBRWHBKEK-LJQANCHMSA-N 1 0 338.451 3.964 50 0 EHAARO CCOC(=O)C1(CCOC)CC[NH+]([C@H]2CCCC(C)(C)C2)CC1 ZINC000012591377 563664204 /nfs/dbraw/zinc/66/42/04/563664204.db2.gz BTPLQPQCHZEWBG-INIZCTEOSA-N 1 0 325.493 3.637 50 0 EHAARO CC[NH+](CC)CCCNC(=O)c1ccc(COc2ccccc2C)o1 ZINC000032647861 563675543 /nfs/dbraw/zinc/67/55/43/563675543.db2.gz AHEBLHMTLPKNBF-UHFFFAOYSA-N 1 0 344.455 3.629 50 0 EHAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000013145824 563691465 /nfs/dbraw/zinc/69/14/65/563691465.db2.gz RJDRSELFTKMTNZ-UONOGXRCSA-N 1 0 332.271 3.998 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)ccc1O ZINC000014961545 563768555 /nfs/dbraw/zinc/76/85/55/563768555.db2.gz CBMZNXOJNCRXJA-KRWDZBQOSA-N 1 0 330.403 3.616 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)cnn1C ZINC000015066066 563775193 /nfs/dbraw/zinc/77/51/93/563775193.db2.gz ITRAQJQOSKMRFZ-GOSISDBHSA-N 1 0 347.462 3.977 50 0 EHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c2ccccc12 ZINC000032902462 563788048 /nfs/dbraw/zinc/78/80/48/563788048.db2.gz HRCIWLNBLWGGKK-QGZVFWFLSA-N 1 0 339.464 3.796 50 0 EHAARO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000016694827 563821058 /nfs/dbraw/zinc/82/10/58/563821058.db2.gz IRFGDSBZVSCWLP-INIZCTEOSA-N 1 0 334.419 3.914 50 0 EHAARO C[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccccc2OC(F)F)C1 ZINC000032925363 563828436 /nfs/dbraw/zinc/82/84/36/563828436.db2.gz JKZODHXBCAGNPG-ZDUSSCGKSA-N 1 0 341.402 3.532 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@H+](CC3CCCCC3)C3CC3)nc12 ZINC000071959589 563855457 /nfs/dbraw/zinc/85/54/57/563855457.db2.gz XVMZZXRDHJGIRG-UHFFFAOYSA-N 1 0 325.456 3.548 50 0 EHAARO COCc1c2ccccc2oc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000025876361 563888858 /nfs/dbraw/zinc/88/88/58/563888858.db2.gz BTCDPDQVGRYKMH-UHFFFAOYSA-N 1 0 344.455 3.618 50 0 EHAARO C[C@H](CCCC(C)(C)O)CC[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000032520181 563913804 /nfs/dbraw/zinc/91/38/04/563913804.db2.gz CPNUKTBOKGCDID-GOSISDBHSA-N 1 0 343.515 3.972 50 0 EHAARO Cc1cccc(CSCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000033028902 563931620 /nfs/dbraw/zinc/93/16/20/563931620.db2.gz QHOKAXSUIWJWPY-LJQANCHMSA-N 1 0 342.508 3.647 50 0 EHAARO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000058018575 563936737 /nfs/dbraw/zinc/93/67/37/563936737.db2.gz UXAFQCOZXNNIKU-AWEZNQCLSA-N 1 0 348.516 3.913 50 0 EHAARO C[C@@H](NC(=O)N1CCC[N@@H+](C2CC2)CC1)c1cccc2ccccc21 ZINC000058162121 563938529 /nfs/dbraw/zinc/93/85/29/563938529.db2.gz SZDSTBGHJAGHNT-MRXNPFEDSA-N 1 0 337.467 3.781 50 0 EHAARO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(F)cc1F ZINC000058391567 563944514 /nfs/dbraw/zinc/94/45/14/563944514.db2.gz IFXCHDWEIQBBBS-UHFFFAOYSA-N 1 0 336.426 3.739 50 0 EHAARO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2cccnc2)cc1)C(C)C ZINC000058392497 563944632 /nfs/dbraw/zinc/94/46/32/563944632.db2.gz HPKSRJFGHKVBDR-MRXNPFEDSA-N 1 0 325.456 3.803 50 0 EHAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C(F)(F)F)C1 ZINC000058393645 563944701 /nfs/dbraw/zinc/94/47/01/563944701.db2.gz QEZZAMDKWUYQTN-ZDUSSCGKSA-N 1 0 328.378 3.556 50 0 EHAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000058405708 563944989 /nfs/dbraw/zinc/94/49/89/563944989.db2.gz DKIIVZFZEBOPJX-UHFFFAOYSA-N 1 0 338.854 3.864 50 0 EHAARO O=C(NCC1=CC[N@@H+]([C@H]2C=CCCC2)CC1)c1cccc(Cl)c1 ZINC000065398924 563959822 /nfs/dbraw/zinc/95/98/22/563959822.db2.gz VMYCGFSVCNKJLX-SFHVURJKSA-N 1 0 330.859 3.811 50 0 EHAARO COc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000033128996 563963609 /nfs/dbraw/zinc/96/36/09/563963609.db2.gz KQVRPOLVFATUIG-UHFFFAOYSA-N 1 0 345.830 3.599 50 0 EHAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071745992 563964983 /nfs/dbraw/zinc/96/49/83/563964983.db2.gz HUDLDTOZECRFIK-ZDUSSCGKSA-N 1 0 342.405 3.614 50 0 EHAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](CCc3ccccn3)C2)cc1 ZINC000071753958 563965239 /nfs/dbraw/zinc/96/52/39/563965239.db2.gz ZWXXKQAJGUYROI-QGZVFWFLSA-N 1 0 340.492 3.941 50 0 EHAARO CC(=O)c1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000097048763 563967027 /nfs/dbraw/zinc/96/70/27/563967027.db2.gz DRUCSDHWNQHEPK-UHFFFAOYSA-N 1 0 345.487 3.783 50 0 EHAARO c1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc5c(c4)OCCO5)C3)nc2c1 ZINC000077301177 563968858 /nfs/dbraw/zinc/96/88/58/563968858.db2.gz HZBYNJYASGVENK-INIZCTEOSA-N 1 0 349.434 3.714 50 0 EHAARO Cc1cncc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1 ZINC000077340094 563969046 /nfs/dbraw/zinc/96/90/46/563969046.db2.gz UWFPQWXWBLALRS-FQEVSTJZSA-N 1 0 337.467 3.819 50 0 EHAARO CCn1cc(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3C)CC2)cn1 ZINC000077385653 563969310 /nfs/dbraw/zinc/96/93/10/563969310.db2.gz QVIHFUPYPYADJK-UHFFFAOYSA-N 1 0 349.482 3.981 50 0 EHAARO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cc2c(s1)SCC(=O)N2 ZINC000097234832 563970835 /nfs/dbraw/zinc/97/08/35/563970835.db2.gz PTYOGJCOPYAFGH-NXEZZACHSA-N 1 0 328.503 3.647 50 0 EHAARO Cn1cc(C[NH2+][C@@H]2CCSc3ccccc32)c(-c2ccncc2)n1 ZINC000097159702 563973227 /nfs/dbraw/zinc/97/32/27/563973227.db2.gz ALWFLBMZJYRHTP-QGZVFWFLSA-N 1 0 336.464 3.809 50 0 EHAARO O[C@@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000000079099 563974579 /nfs/dbraw/zinc/97/45/79/563974579.db2.gz UPXRZTUOTCZTEW-HXUWFJFHSA-N 1 0 341.862 3.990 50 0 EHAARO CCCN1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000095506951 563977177 /nfs/dbraw/zinc/97/71/77/563977177.db2.gz CQDRVEVFOIELEH-UHFFFAOYSA-N 1 0 344.528 3.539 50 0 EHAARO CNC(=O)c1ccc(OC)c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c1 ZINC000096150371 563979630 /nfs/dbraw/zinc/97/96/30/563979630.db2.gz RWHMIJKCEHHXDT-HNNXBMFYSA-N 1 0 338.451 3.879 50 0 EHAARO CN(Cc1ccc(-c2cc[nH]n2)s1)Cc1noc2c1CCCC2 ZINC000097076574 563981245 /nfs/dbraw/zinc/98/12/45/563981245.db2.gz UBKZRQJYYJDFET-UHFFFAOYSA-N 1 0 328.441 3.637 50 0 EHAARO CCCCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000060894079 563984035 /nfs/dbraw/zinc/98/40/35/563984035.db2.gz UDPZLTOKYVICSS-QGZVFWFLSA-N 1 0 331.504 3.908 50 0 EHAARO Cc1nccn1[C@@H](C)CC(=O)N(Cc1cccnc1)C1CCCCC1 ZINC000426503145 563996189 /nfs/dbraw/zinc/99/61/89/563996189.db2.gz JLMICMYYZQTJDS-INIZCTEOSA-N 1 0 340.471 3.899 50 0 EHAARO CCn1ncc(CN(C)Cc2cc(C[NH+]3CCCC3)cs2)c1C ZINC000426563500 563996311 /nfs/dbraw/zinc/99/63/11/563996311.db2.gz QTCSVMXPBUJQGB-UHFFFAOYSA-N 1 0 332.517 3.501 50 0 EHAARO CC(C)(C)[C@H](NC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1cccs1 ZINC000252481694 563997713 /nfs/dbraw/zinc/99/77/13/563997713.db2.gz CQNYXOPOEGSZMD-GOSISDBHSA-N 1 0 342.508 3.954 50 0 EHAARO COc1ccc([C@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1F ZINC000033883906 563999876 /nfs/dbraw/zinc/99/98/76/563999876.db2.gz RZXCWNNAJOUUQF-PXNSSMCTSA-N 1 0 329.415 3.747 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000076056219 564000699 /nfs/dbraw/zinc/00/06/99/564000699.db2.gz FJJRPJUFZWEZTG-WQGACYEGSA-N 1 0 326.843 3.777 50 0 EHAARO Cc1ccc2cc(C[N@@H+]3CCSC4(CCOCC4)C3)ccc2n1 ZINC000188552523 564005521 /nfs/dbraw/zinc/00/55/21/564005521.db2.gz XPDMCSFEXUAWHP-UHFFFAOYSA-N 1 0 328.481 3.641 50 0 EHAARO CS(=O)(=O)Cc1cccc(C[NH2+]C2CCC(=C3CCC3)CC2)c1 ZINC000583651608 564018358 /nfs/dbraw/zinc/01/83/58/564018358.db2.gz PNBURPLYKAELFD-UHFFFAOYSA-N 1 0 333.497 3.744 50 0 EHAARO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000046723141 564022989 /nfs/dbraw/zinc/02/29/89/564022989.db2.gz QSSYELVZTGQTML-UHFFFAOYSA-N 1 0 336.794 3.672 50 0 EHAARO CSc1ccccc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000047038278 564025661 /nfs/dbraw/zinc/02/56/61/564025661.db2.gz MNXVTXHVTYLLJM-HOTGVXAUSA-N 1 0 334.529 3.896 50 0 EHAARO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000106532006 564026435 /nfs/dbraw/zinc/02/64/35/564026435.db2.gz WHMYPPHHQCUUCL-HOTGVXAUSA-N 1 0 334.504 3.598 50 0 EHAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCc3ccco3)cc2)C1 ZINC000047575186 564026480 /nfs/dbraw/zinc/02/64/80/564026480.db2.gz XIFBBJFSBUONHA-MRXNPFEDSA-N 1 0 341.455 3.511 50 0 EHAARO Cc1c2cc(Cl)ccc2oc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000107138784 564026822 /nfs/dbraw/zinc/02/68/22/564026822.db2.gz JFRSRINCEVTWCK-FZMZJTMJSA-N 1 0 334.847 3.949 50 0 EHAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000107504454 564026961 /nfs/dbraw/zinc/02/69/61/564026961.db2.gz STHVDXLEQPUMKF-OZVIIMIRSA-N 1 0 328.378 3.613 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000108340275 564028157 /nfs/dbraw/zinc/02/81/57/564028157.db2.gz DIIQIOUPVIEQBD-INMHGKMJSA-N 1 0 335.492 3.706 50 0 EHAARO c1ccc2c(c1)CCSC[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000108489210 564028284 /nfs/dbraw/zinc/02/82/84/564028284.db2.gz KIHPVFXNHLCTQG-NJAFHUGGSA-N 1 0 335.538 3.661 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1Cl)c1ccc(F)cc1 ZINC000048050778 564029882 /nfs/dbraw/zinc/02/98/82/564029882.db2.gz LKMZLBAHAIVFBB-MRXNPFEDSA-N 1 0 335.810 3.904 50 0 EHAARO O=C(CCN1CCC[N@H+](CC2CCCCC2)CC1)Nc1ccccc1 ZINC000048375357 564031667 /nfs/dbraw/zinc/03/16/67/564031667.db2.gz GNYIVXMQJLQEPB-UHFFFAOYSA-N 1 0 343.515 3.603 50 0 EHAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)nc1)c1ccc2c(c1)OCCO2 ZINC000048682867 564032062 /nfs/dbraw/zinc/03/20/62/564032062.db2.gz SESNDBDCQMKVMB-OAHLLOKOSA-N 1 0 347.418 3.766 50 0 EHAARO CC(C)(C)c1ccc(C[NH2+]Cc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000048779619 564032172 /nfs/dbraw/zinc/03/21/72/564032172.db2.gz LIYKAJAAZBRNEF-UHFFFAOYSA-N 1 0 345.508 3.819 50 0 EHAARO Fc1ccccc1OC1CN(Cc2ccc(C[NH+]3CCCC3)s2)C1 ZINC000214948916 564033480 /nfs/dbraw/zinc/03/34/80/564033480.db2.gz WDHPJMNKHGOJAA-UHFFFAOYSA-N 1 0 346.471 3.746 50 0 EHAARO Cc1ccc(OCC(N)=O)c(-c2cccc([C@H](C)[NH+]3CCCC3)c2)c1 ZINC000534639308 564061381 /nfs/dbraw/zinc/06/13/81/564061381.db2.gz DBKWQBMHIRXDSV-INIZCTEOSA-N 1 0 338.451 3.683 50 0 EHAARO c1csc(-c2ncc(C[NH2+]C3CCC4(CC3)OCCO4)s2)c1 ZINC000083450864 564063274 /nfs/dbraw/zinc/06/32/74/564063274.db2.gz TWRIKPUTSGRLJK-UHFFFAOYSA-N 1 0 336.482 3.647 50 0 EHAARO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000518389561 564063310 /nfs/dbraw/zinc/06/33/10/564063310.db2.gz SHEZKYYMMGSSOD-HXUWFJFHSA-N 1 0 343.515 3.525 50 0 EHAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)[C@@H](C)C1 ZINC000078897511 564075163 /nfs/dbraw/zinc/07/51/63/564075163.db2.gz NYUFYUFJCPFYIJ-NHYWBVRUSA-N 1 0 346.368 3.581 50 0 EHAARO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)CC[C@@H]2CCC[C@@H](C)C2)c1 ZINC000089103617 564079846 /nfs/dbraw/zinc/07/98/46/564079846.db2.gz INSWXKITTAQLFV-WBVHZDCISA-N 1 0 345.487 3.732 50 0 EHAARO C[C@H]([NH2+]C1CCSCC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000090605405 564084898 /nfs/dbraw/zinc/08/48/98/564084898.db2.gz KTZAIRKEMYJSLB-KXBFYZLASA-N 1 0 335.513 3.797 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@H](C)[C@@H]3COc4ccccc43)CC2)n1 ZINC000090845031 564086870 /nfs/dbraw/zinc/08/68/70/564086870.db2.gz BFFHPDGSQVCJEA-PBHICJAKSA-N 1 0 343.496 3.575 50 0 EHAARO C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1nc2cc(Cl)ccc2n1C ZINC000091369191 564087565 /nfs/dbraw/zinc/08/75/65/564087565.db2.gz TZLXHHRPSYXZGO-MBNYWOFBSA-N 1 0 332.879 3.503 50 0 EHAARO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000241564170 564088363 /nfs/dbraw/zinc/08/83/63/564088363.db2.gz ORYSDSTYPZRZIM-BQFCYCMXSA-N 1 0 337.891 3.730 50 0 EHAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)Cc1cncs1 ZINC000092017567 564088813 /nfs/dbraw/zinc/08/88/13/564088813.db2.gz MWHWBCWKZINHLA-HZPDHXFCSA-N 1 0 329.513 3.732 50 0 EHAARO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@H](C)C3)nc2)s1 ZINC000089286811 564089225 /nfs/dbraw/zinc/08/92/25/564089225.db2.gz GSJLIUJTOLBUPC-CABCVRRESA-N 1 0 345.512 3.781 50 0 EHAARO COc1cccc(NC2CC[NH+](CCOc3cccc(F)c3)CC2)c1 ZINC000089470253 564090722 /nfs/dbraw/zinc/09/07/22/564090722.db2.gz MJJXXGNNXIZULS-UHFFFAOYSA-N 1 0 344.430 3.790 50 0 EHAARO O=C(c1cccc(C[NH+]2CCCCCC2)c1)N1CCC(F)(F)CC1 ZINC000426722745 564094449 /nfs/dbraw/zinc/09/44/49/564094449.db2.gz ZHZBIKPCNAMVMT-UHFFFAOYSA-N 1 0 336.426 3.934 50 0 EHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccnc(-c3cccs3)c2)C1 ZINC000064676031 564095135 /nfs/dbraw/zinc/09/51/35/564095135.db2.gz IMISAAUZXDBFSD-HNNXBMFYSA-N 1 0 343.496 3.662 50 0 EHAARO CCn1c([C@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc2cccnc21 ZINC000065285341 564104290 /nfs/dbraw/zinc/10/42/90/564104290.db2.gz MUUJZAJINFYJPW-AWEZNQCLSA-N 1 0 326.469 3.811 50 0 EHAARO C[C@H](C[NH2+]C1CCC(O)(c2cccc(Cl)c2)CC1)Cn1ccnc1 ZINC000170081758 564105372 /nfs/dbraw/zinc/10/53/72/564105372.db2.gz DGONOUVGASOPPI-VNCLNFNDSA-N 1 0 347.890 3.593 50 0 EHAARO CC[NH+](CC)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000065523887 564106928 /nfs/dbraw/zinc/10/69/28/564106928.db2.gz LLNZWBQISBJIQT-IBGZPJMESA-N 1 0 339.439 3.667 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2N2CCCC2)C1 ZINC000065566511 564107137 /nfs/dbraw/zinc/10/71/37/564107137.db2.gz ADRRLBQQIBSRTK-QGZVFWFLSA-N 1 0 344.503 3.529 50 0 EHAARO Cc1noc([C@@H]2CCC[N@H+](CCCOc3cccc(Cl)c3)C2)n1 ZINC000065535884 564107215 /nfs/dbraw/zinc/10/72/15/564107215.db2.gz KOPLPDJWYUYXSA-CQSZACIVSA-N 1 0 335.835 3.680 50 0 EHAARO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)N1CCCCCC1 ZINC000065538916 564107250 /nfs/dbraw/zinc/10/72/50/564107250.db2.gz CKAYAEBOUACIEL-UHFFFAOYSA-N 1 0 333.501 3.643 50 0 EHAARO C[NH+]1CCC2(CCCN2Cc2nc(-c3ccccc3)cs2)CC1 ZINC000170606902 564109575 /nfs/dbraw/zinc/10/95/75/564109575.db2.gz ACDZXICZJKICDT-UHFFFAOYSA-N 1 0 327.497 3.870 50 0 EHAARO O=C([C@H]1C[C@H]1c1ccccc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000071824377 564111309 /nfs/dbraw/zinc/11/13/09/564111309.db2.gz SNJQLIJFWAEGJP-OALUTQOASA-N 1 0 340.492 3.586 50 0 EHAARO OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000089866593 564114440 /nfs/dbraw/zinc/11/44/40/564114440.db2.gz HORJZYDPACONRA-HNNXBMFYSA-N 1 0 341.480 3.585 50 0 EHAARO CC[C@@H](C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1)[NH+](C)C ZINC000089941898 564115572 /nfs/dbraw/zinc/11/55/72/564115572.db2.gz CYYNXXUDULGBNW-KRWDZBQOSA-N 1 0 340.427 3.609 50 0 EHAARO CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)Cc1cnn(C)c1 ZINC000089969191 564115943 /nfs/dbraw/zinc/11/59/43/564115943.db2.gz NWSHSBBQFDFUEI-UHFFFAOYSA-N 1 0 342.487 3.586 50 0 EHAARO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000090220956 564116480 /nfs/dbraw/zinc/11/64/80/564116480.db2.gz WLDVIEUKEGFLBK-AMXDTQDGSA-N 1 0 337.872 3.937 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)NC(=O)CO2 ZINC000237525989 564117785 /nfs/dbraw/zinc/11/77/85/564117785.db2.gz SBOLSCORAJTBHR-CYZMBNFOSA-N 1 0 342.361 3.789 50 0 EHAARO C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)[C@@H](n2cncn2)C1 ZINC000252537192 564120581 /nfs/dbraw/zinc/12/05/81/564120581.db2.gz KPOIHDIQELUXBK-OLMNPRSZSA-N 1 0 344.890 3.983 50 0 EHAARO CC1(C)CC(NC(=O)Cc2cccc(C(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000007771006 564122996 /nfs/dbraw/zinc/12/29/96/564122996.db2.gz DHEFTHYUVYLIDM-UHFFFAOYSA-N 1 0 342.405 3.673 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000253404946 564130636 /nfs/dbraw/zinc/13/06/36/564130636.db2.gz GCWDLELVKWRCRG-CJNGLKHVSA-N 1 0 336.476 3.743 50 0 EHAARO CCc1[nH+]c2ccccc2c(N2CCC[C@H](c3nncn3C)C2)c1C ZINC000253420074 564131036 /nfs/dbraw/zinc/13/10/36/564131036.db2.gz WLHHXZFFWDIXKZ-HNNXBMFYSA-N 1 0 335.455 3.618 50 0 EHAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000078897982 564137371 /nfs/dbraw/zinc/13/73/71/564137371.db2.gz LEKAMMQRPQIESZ-CXAGYDPISA-N 1 0 328.481 3.638 50 0 EHAARO COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000079105178 564137912 /nfs/dbraw/zinc/13/79/12/564137912.db2.gz VIWYWAIBJKMRSB-OLZOCXBDSA-N 1 0 349.377 3.756 50 0 EHAARO Cc1nc(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000277100724 564137955 /nfs/dbraw/zinc/13/79/55/564137955.db2.gz TZBZBYJUQHRNGA-CVEARBPZSA-N 1 0 340.851 3.906 50 0 EHAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1nc3ccccc3n1C(C)C)CCC2 ZINC000095402066 564139518 /nfs/dbraw/zinc/13/95/18/564139518.db2.gz BAYNFZCYWBLPKF-MRXNPFEDSA-N 1 0 337.471 3.789 50 0 EHAARO COc1cccc(CN(C)C(=O)C[NH2+][C@H](C)c2cc(C)sc2C)c1 ZINC000095462577 564140815 /nfs/dbraw/zinc/14/08/15/564140815.db2.gz LDMIETXOOFSTGZ-CQSZACIVSA-N 1 0 346.496 3.683 50 0 EHAARO c1ccc2oc(N3CC[NH+](Cc4cccc5cccnc54)CC3)nc2c1 ZINC000095947789 564142306 /nfs/dbraw/zinc/14/23/06/564142306.db2.gz YUTXRWJZKFGOKT-UHFFFAOYSA-N 1 0 344.418 3.698 50 0 EHAARO CC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)s1 ZINC000095968188 564143180 /nfs/dbraw/zinc/14/31/80/564143180.db2.gz CWKXMYHQGYPPCU-UKRRQHHQSA-N 1 0 342.936 3.943 50 0 EHAARO COc1cc(F)c([C@H](C)[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)cc1OC ZINC000095988257 564144043 /nfs/dbraw/zinc/14/40/43/564144043.db2.gz VMTITDZYKZVXLJ-BNBDDXAPSA-N 1 0 325.424 3.553 50 0 EHAARO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000096012794 564144740 /nfs/dbraw/zinc/14/47/40/564144740.db2.gz CJUATAKIBQBBEQ-NVXWUHKLSA-N 1 0 334.423 3.757 50 0 EHAARO CN1CCN(C(=O)Nc2cccc3cccnc32)[C@H](c2ccccc2)C1 ZINC000096286617 564146372 /nfs/dbraw/zinc/14/63/72/564146372.db2.gz LWGVAOGHOBBRPG-IBGZPJMESA-N 1 0 346.434 3.755 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)c1 ZINC000096476723 564148484 /nfs/dbraw/zinc/14/84/84/564148484.db2.gz FFEUDSJPNQSCKH-IBGZPJMESA-N 1 0 338.451 3.667 50 0 EHAARO CCOC(=O)N1CCC([NH2+][C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000096494325 564148746 /nfs/dbraw/zinc/14/87/46/564148746.db2.gz HPKGXVUUTSHGSK-MRXNPFEDSA-N 1 0 345.487 3.558 50 0 EHAARO COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000002642729 564151733 /nfs/dbraw/zinc/15/17/33/564151733.db2.gz UAQDWODYULACON-UHFFFAOYSA-N 1 0 330.472 3.614 50 0 EHAARO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(OC)c(NC(C)=O)c2)s1 ZINC000131870057 564153009 /nfs/dbraw/zinc/15/30/09/564153009.db2.gz MZJOUTMBYWJIFW-NSHDSACASA-N 1 0 347.484 3.832 50 0 EHAARO Cc1ccc(CC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC000069415893 564169255 /nfs/dbraw/zinc/16/92/55/564169255.db2.gz XFBNYQGBXSGWIM-UHFFFAOYSA-N 1 0 337.467 3.682 50 0 EHAARO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000069435209 564169453 /nfs/dbraw/zinc/16/94/53/564169453.db2.gz YAFQCTJCUZSRRZ-CQSZACIVSA-N 1 0 342.468 3.825 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccccc2F)CC1 ZINC000069510270 564169980 /nfs/dbraw/zinc/16/99/80/564169980.db2.gz WTYHADWPJAHVPV-UHFFFAOYSA-N 1 0 327.403 3.584 50 0 EHAARO CC[C@@](CO)(NCc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000069657158 564171223 /nfs/dbraw/zinc/17/12/23/564171223.db2.gz KGGLZMNNNWDQHA-FQEVSTJZSA-N 1 0 340.398 3.868 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCn3ccnc3)c2)o1 ZINC000069876012 564172614 /nfs/dbraw/zinc/17/26/14/564172614.db2.gz XYXYOQJEHAZICO-MRXNPFEDSA-N 1 0 325.412 3.714 50 0 EHAARO Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000070015885 564173320 /nfs/dbraw/zinc/17/33/20/564173320.db2.gz UDNZQLURCLYEHA-OAHLLOKOSA-N 1 0 329.469 3.609 50 0 EHAARO Cc1cccc(C(C)C)c1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000071846726 564175967 /nfs/dbraw/zinc/17/59/67/564175967.db2.gz NMIPIXAEYBSAKD-UHFFFAOYSA-N 1 0 329.448 3.521 50 0 EHAARO Clc1ccc(-n2nnnc2C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000005770156 568418093 /nfs/dbraw/zinc/41/80/93/568418093.db2.gz HLZFZWYIQFZMGU-UHFFFAOYSA-N 1 0 331.851 3.571 50 0 EHAARO COc1cc([C@H](C)[NH2+]C2(C(C)C)CC2)ccc1S(=O)(=O)C(F)F ZINC000293737768 1017410979 /nfs/dbraw/zinc/41/09/79/1017410979.db2.gz OYJXSOSMGZYCJM-NSHDSACASA-N 1 0 347.427 3.531 50 0 EHAARO CC(C)C1CCC([NH+]2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000175928750 1019003049 /nfs/dbraw/zinc/00/30/49/1019003049.db2.gz BDZLTXPUHRINRG-MNLRITNHSA-N 1 0 330.516 3.552 50 0 EHAARO CCCN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H]1CC[NH2+]C1 ZINC000178883089 1019398261 /nfs/dbraw/zinc/39/82/61/1019398261.db2.gz ITBLMLZNKSQJSU-OAHLLOKOSA-N 1 0 332.444 3.768 50 0 EHAARO C[C@H](C(=O)N(C)Cc1cccc(C(F)(F)F)c1)[NH+]1CCCCCC1 ZINC000510522230 1022628013 /nfs/dbraw/zinc/62/80/13/1022628013.db2.gz HODZHBHHOXPIIC-CQSZACIVSA-N 1 0 342.405 3.928 50 0 EHAARO c1nc(-c2ccc(N3CCC([NH2+][C@@H]4CCCOC4)CC3)cc2)cs1 ZINC000023129553 1028459433 /nfs/dbraw/zinc/45/94/33/1028459433.db2.gz FFPUKINWYFOVCF-QGZVFWFLSA-N 1 0 343.496 3.548 50 0 EHAARO O=C(/C=C/c1ccc(F)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000016259253 1029912209 /nfs/dbraw/zinc/91/22/09/1029912209.db2.gz ISQPXACBEVQLTG-XEDBTPMOSA-N 1 0 338.426 3.792 50 0 EHAARO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000081363964 1030218942 /nfs/dbraw/zinc/21/89/42/1030218942.db2.gz WJHHKWIZKQKFLU-CYBMUJFWSA-N 1 0 334.847 3.890 50 0 EHAARO CC(C)(CNC(=O)N1CC=C(c2cccs2)CC1)[NH+]1CCCCC1 ZINC000117956179 1031488566 /nfs/dbraw/zinc/48/85/66/1031488566.db2.gz BRXKTSNFBMBOBP-UHFFFAOYSA-N 1 0 347.528 3.811 50 0 EHAARO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(C(F)F)nc1 ZINC000657926306 1033665430 /nfs/dbraw/zinc/66/54/30/1033665430.db2.gz SQVACPBLRUHIIX-GXTWGEPZSA-N 1 0 334.366 3.900 50 0 EHAARO Cc1nn(C)c(Cl)c1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000265105622 1033991630 /nfs/dbraw/zinc/99/16/30/1033991630.db2.gz GEZYQIRXYFWWBB-UHFFFAOYSA-N 1 0 343.862 3.638 50 0 EHAARO Cc1nccn1C[C@@H]1CCCN1C(=O)CCc1ccc(C(C)C)cc1 ZINC000177173552 1034772794 /nfs/dbraw/zinc/77/27/94/1034772794.db2.gz WRMZGEMYJOGPKI-FQEVSTJZSA-N 1 0 339.483 3.939 50 0 EHAARO Cc1cccnc1NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000172101757 1034814806 /nfs/dbraw/zinc/81/48/06/1034814806.db2.gz FYDPMPPLNMGHJF-MRXNPFEDSA-N 1 0 338.455 3.737 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)/C=C\c2cccs2)cc1 ZINC000096912144 1039458602 /nfs/dbraw/zinc/45/86/02/1039458602.db2.gz HNPQVAXKDPBRCC-QXMHVHEDSA-N 1 0 328.481 3.920 50 0 EHAARO CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1(C)C ZINC000048344929 1042313982 /nfs/dbraw/zinc/31/39/82/1042313982.db2.gz DJLXGWSJBPPVIH-SOLBZPMBSA-N 1 0 330.472 3.771 50 0 EHAARO Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)[nH]1 ZINC000014961236 1042925702 /nfs/dbraw/zinc/92/57/02/1042925702.db2.gz FAHCKBVAVWRBMN-FQEVSTJZSA-N 1 0 331.504 3.606 50 0 EHAARO CC(C)=CC[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000011813028 1128998863 /nfs/dbraw/zinc/99/88/63/1128998863.db2.gz PDQJAJXERGCXOU-UHFFFAOYSA-N 1 0 348.494 3.721 50 0 EHAARO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc2c(c1)OCO2 ZINC000154493857 1122666876 /nfs/dbraw/zinc/66/68/76/1122666876.db2.gz HEKPUIFJQAKCQD-CQSZACIVSA-N 1 0 349.434 3.880 50 0 EHAARO COc1ccc(F)c(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)c1 ZINC000011998138 1129248132 /nfs/dbraw/zinc/24/81/32/1129248132.db2.gz AYZPZOJESPSTGE-NRFANRHFSA-N 1 0 346.490 3.922 50 0 EHAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000824628645 1131214695 /nfs/dbraw/zinc/21/46/95/1131214695.db2.gz UWWOAHLADNFWMT-LJQANCHMSA-N 1 0 334.423 3.613 50 0 EHAARO COc1ccc2c(c1)CCC[C@@H]2NC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000824751195 1131216777 /nfs/dbraw/zinc/21/67/77/1131216777.db2.gz RBWVCXBFAKYUJE-IBGZPJMESA-N 1 0 342.483 3.597 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cccc2cc[nH]c21 ZINC000828177540 1131423971 /nfs/dbraw/zinc/42/39/71/1131423971.db2.gz OOVNRNWEYAZTIQ-HNNXBMFYSA-N 1 0 339.464 3.624 50 0 EHAARO CC[NH+](CC)[C@H]1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000581784170 1132357304 /nfs/dbraw/zinc/35/73/04/1132357304.db2.gz IQAVCHIQHYCXFO-SFHVURJKSA-N 1 0 345.487 3.574 50 0 EHAARO CCNC(=O)N1CCC([N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000581802390 1132362926 /nfs/dbraw/zinc/36/29/26/1132362926.db2.gz JQAMWFOHSMFRLU-LJQANCHMSA-N 1 0 341.499 3.798 50 0 EHAARO Cn1cccc1C[N@@H+]1CCCC[C@H]1CCn1cc(-c2ccccc2)nn1 ZINC000581818598 1132374312 /nfs/dbraw/zinc/37/43/12/1132374312.db2.gz KBBXCMVDOHOZKM-IBGZPJMESA-N 1 0 349.482 3.728 50 0 EHAARO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc2nc(C)sc2c1 ZINC000585083110 1136968142 /nfs/dbraw/zinc/96/81/42/1136968142.db2.gz AWTVHUBIWBIUOL-OAHLLOKOSA-N 1 0 331.485 3.551 50 0 EHAARO Clc1ccc(-c2noc(CC[N@@H+]3CCCc4occc4C3)n2)cc1 ZINC000585083929 1136971300 /nfs/dbraw/zinc/97/13/00/1136971300.db2.gz ICFUSKRZFFKIEN-UHFFFAOYSA-N 1 0 343.814 3.974 50 0 EHAARO COc1ccncc1C[NH2+]C1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000585085769 1136982874 /nfs/dbraw/zinc/98/28/74/1136982874.db2.gz VGHBYWPACPCUSJ-UHFFFAOYSA-N 1 0 346.858 3.664 50 0 EHAARO OC1(CCC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000630061456 1137299029 /nfs/dbraw/zinc/29/90/29/1137299029.db2.gz XGXKOTADXMSFJW-QUCCMNQESA-N 1 0 328.500 3.639 50 0 EHAARO C[C@@H](c1ccccc1)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000952884204 1137483418 /nfs/dbraw/zinc/48/34/18/1137483418.db2.gz VZYSVIHMLXNSAJ-JSGCOSHPSA-N 1 0 338.377 3.596 50 0 EHAARO C[N@@H+](Cc1[nH]c2ccccc2c1Cl)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000952967510 1137484965 /nfs/dbraw/zinc/48/49/65/1137484965.db2.gz KRAFHMPLPJIKGR-ZDUSSCGKSA-N 1 0 347.890 3.900 50 0 EHAARO Nc1cc(CCCCNC(=O)Nc2cccc(C(F)F)c2)cc[nH+]1 ZINC000952992882 1137484971 /nfs/dbraw/zinc/48/49/71/1137484971.db2.gz KVQKBOYPDWOVNK-UHFFFAOYSA-N 1 0 334.370 3.746 50 0 EHAARO CN1CCN([C@@H]2CC[N@H+](Cc3ccc(C4CCCCC4)s3)C2)CC1 ZINC000097654199 219044329 /nfs/dbraw/zinc/04/43/29/219044329.db2.gz OMNUJLIHFVINGN-GOSISDBHSA-N 1 0 347.572 3.618 50 0 EHAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000054808446 214256127 /nfs/dbraw/zinc/25/61/27/214256127.db2.gz QDOMJLUOYLQLIH-LJQANCHMSA-N 1 0 325.456 3.909 50 0 EHAARO CC[C@@H]([NH2+]Cc1c(C)cc(C)c(COC(C)=O)c1C)c1ccnn1C ZINC000055153803 214280778 /nfs/dbraw/zinc/28/07/78/214280778.db2.gz QKQLMLPCKUICDX-LJQANCHMSA-N 1 0 343.471 3.649 50 0 EHAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C)c(C)c2)s1 ZINC000055393531 214318145 /nfs/dbraw/zinc/31/81/45/214318145.db2.gz KOZUEHMOCASRMU-UHFFFAOYSA-N 1 0 330.497 3.877 50 0 EHAARO O=C(O[C@H]1C[NH+]2CCC1CC2)C1c2ccccc2C=Cc2ccccc21 ZINC000004655751 210238445 /nfs/dbraw/zinc/23/84/45/210238445.db2.gz NFBVRKWTFKIBOD-NRFANRHFSA-N 1 0 345.442 3.940 50 0 EHAARO CC1CCC([NH+]2CCC(N(C)C(=O)c3cc(C4CC4)on3)CC2)CC1 ZINC000061607493 214668512 /nfs/dbraw/zinc/66/85/12/214668512.db2.gz LRWDYWYAWJMBBH-UHFFFAOYSA-N 1 0 345.487 3.667 50 0 EHAARO O=C(c1cccc2ccccc21)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004388348 210186579 /nfs/dbraw/zinc/18/65/79/210186579.db2.gz YRBYCXIINGBQSM-GOSISDBHSA-N 1 0 334.463 3.954 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc3ccccc3o2)C1 ZINC000047038541 213829155 /nfs/dbraw/zinc/82/91/55/213829155.db2.gz TZBIUDFZTDKMDE-HOTGVXAUSA-N 1 0 328.456 3.921 50 0 EHAARO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000003420172 210033706 /nfs/dbraw/zinc/03/37/06/210033706.db2.gz GJZBUNDRCJEECE-HNNXBMFYSA-N 1 0 328.481 3.545 50 0 EHAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000066970618 215099569 /nfs/dbraw/zinc/09/95/69/215099569.db2.gz MRAULUGRHDKEHZ-KRWDZBQOSA-N 1 0 340.467 3.691 50 0 EHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1(c2ccccc2)CC1 ZINC000003336360 210010402 /nfs/dbraw/zinc/01/04/02/210010402.db2.gz ZNVUFQLMPWRXLQ-SFHVURJKSA-N 1 0 338.451 3.655 50 0 EHAARO COc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)c1F ZINC000067459195 215148570 /nfs/dbraw/zinc/14/85/70/215148570.db2.gz YQSUGAPSGQZTDZ-GHTZIAJQSA-N 1 0 343.442 3.650 50 0 EHAARO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](CC1CC1)C2 ZINC000067562620 215163613 /nfs/dbraw/zinc/16/36/13/215163613.db2.gz UTWOAZPSYOCFAO-UHFFFAOYSA-N 1 0 330.815 3.712 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c2cccc3c2n1CCC3 ZINC000067678524 215183215 /nfs/dbraw/zinc/18/32/15/215183215.db2.gz WFMCNOQCCABZFJ-HXUWFJFHSA-N 1 0 345.446 3.680 50 0 EHAARO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(-n2cccn2)c1 ZINC000067754807 215203564 /nfs/dbraw/zinc/20/35/64/215203564.db2.gz WCLDWJKTRADDMZ-QGZVFWFLSA-N 1 0 335.455 3.592 50 0 EHAARO Cc1ccc(C)c([N+]2=C3CCCCN3[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000002966271 209946034 /nfs/dbraw/zinc/94/60/34/209946034.db2.gz SFOGTWPOGMSTQI-NRFANRHFSA-N 1 0 339.434 3.703 50 0 EHAARO CN(Cc1ccc2cccc(O)c2n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000067758287 215206033 /nfs/dbraw/zinc/20/60/33/215206033.db2.gz IFCURHWODYPBQI-UHFFFAOYSA-N 1 0 327.472 3.681 50 0 EHAARO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cccc3c(C)c(C)[nH]c32)C1 ZINC000067878446 215237946 /nfs/dbraw/zinc/23/79/46/215237946.db2.gz TVNRUHVCOXOXRF-QGZVFWFLSA-N 1 0 327.472 3.523 50 0 EHAARO C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068718188 215328757 /nfs/dbraw/zinc/32/87/57/215328757.db2.gz GUSPVNZQCIRZLJ-NEPJUHHUSA-N 1 0 329.271 3.553 50 0 EHAARO C[C@@H](O)CNc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000068938815 215347008 /nfs/dbraw/zinc/34/70/08/215347008.db2.gz YQIZHNHFRNWFPF-GFCCVEGCSA-N 1 0 349.356 3.896 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1csc2c1CCCC2)c1cccs1 ZINC000040025452 213253193 /nfs/dbraw/zinc/25/31/93/213253193.db2.gz GLYZENZZGGJINQ-AWEZNQCLSA-N 1 0 334.510 3.721 50 0 EHAARO CC1(C)CC(NC(=O)Nc2cccc(Cl)c2F)CC(C)(C)[NH2+]1 ZINC000040023756 213251777 /nfs/dbraw/zinc/25/17/77/213251777.db2.gz AOTOMGQXUNPRSA-UHFFFAOYSA-N 1 0 327.831 3.910 50 0 EHAARO CC(C)[N@H+](Cc1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000040009431 213249782 /nfs/dbraw/zinc/24/97/82/213249782.db2.gz WOWGMXGCMKAKNP-UHFFFAOYSA-N 1 0 341.842 3.759 50 0 EHAARO COc1cc(CN2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)cc(OC)c1 ZINC000071714956 215798831 /nfs/dbraw/zinc/79/88/31/215798831.db2.gz GLGSIZAWTUNHSA-NRFANRHFSA-N 1 0 346.515 3.646 50 0 EHAARO COc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000072076170 216003535 /nfs/dbraw/zinc/00/35/35/216003535.db2.gz DLAGRUXDXOEALG-MRXNPFEDSA-N 1 0 334.460 3.574 50 0 EHAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)o1 ZINC000072139131 216026200 /nfs/dbraw/zinc/02/62/00/216026200.db2.gz HVROTXWODHMZRS-HNNXBMFYSA-N 1 0 344.430 3.623 50 0 EHAARO Clc1cc(N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc2[nH]ccc21 ZINC000072146090 216031984 /nfs/dbraw/zinc/03/19/84/216031984.db2.gz FEEPRQHBJDIOPW-CQSZACIVSA-N 1 0 341.846 3.688 50 0 EHAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(C2CCCCC2)no1 ZINC000072150623 216038405 /nfs/dbraw/zinc/03/84/05/216038405.db2.gz XEFCEHXDAYHTFA-QGZVFWFLSA-N 1 0 333.476 3.603 50 0 EHAARO Fc1cccc(CN2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000072153663 216042554 /nfs/dbraw/zinc/04/25/54/216042554.db2.gz LIFALFBSROLGKG-UHFFFAOYSA-N 1 0 335.426 3.692 50 0 EHAARO CC(C)[NH+]1CCC(c2nccn2Cc2ccccc2-n2ccnc2)CC1 ZINC000072162662 216051875 /nfs/dbraw/zinc/05/18/75/216051875.db2.gz DKGYNNDWIFVXMA-UHFFFAOYSA-N 1 0 349.482 3.705 50 0 EHAARO C[N@H+](Cc1cnc(N2CCCC2)s1)Cc1cccc2cnccc21 ZINC000072431217 216223389 /nfs/dbraw/zinc/22/33/89/216223389.db2.gz GEHPBBVIJWOJHA-UHFFFAOYSA-N 1 0 338.480 3.924 50 0 EHAARO CN(C)Cc1csc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3)C2)c1 ZINC000072475410 216253366 /nfs/dbraw/zinc/25/33/66/216253366.db2.gz SXADKNIPWFKZAT-SFHVURJKSA-N 1 0 342.508 3.905 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000072858704 216319279 /nfs/dbraw/zinc/31/92/79/216319279.db2.gz UPWPVKRISVOSNH-UONOGXRCSA-N 1 0 336.430 3.766 50 0 EHAARO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000026315605 212514756 /nfs/dbraw/zinc/51/47/56/212514756.db2.gz ZYPZQELGQKBBJZ-CYBMUJFWSA-N 1 0 331.412 3.572 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000023105538 212347975 /nfs/dbraw/zinc/34/79/75/212347975.db2.gz XYEJJLWLVGGQAG-GFCCVEGCSA-N 1 0 326.824 3.573 50 0 EHAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1c(C)noc1C ZINC000022770184 212323665 /nfs/dbraw/zinc/32/36/65/212323665.db2.gz RMGFZNVICHLZQY-UHFFFAOYSA-N 1 0 342.395 3.762 50 0 EHAARO CN(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000022075847 212276911 /nfs/dbraw/zinc/27/69/11/212276911.db2.gz TUCNMRQSVKHWCM-UHFFFAOYSA-N 1 0 336.838 3.709 50 0 EHAARO CCn1ccnc1CN(C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215458606 241125730 /nfs/dbraw/zinc/12/57/30/241125730.db2.gz WXJXCZZFAJBKGN-UHFFFAOYSA-N 1 0 332.517 3.582 50 0 EHAARO c1nnc([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)[nH]1 ZINC000215546866 241131049 /nfs/dbraw/zinc/13/10/49/241131049.db2.gz ZFMPYIRTMIRBFL-IBGZPJMESA-N 1 0 348.450 3.763 50 0 EHAARO COC1(C[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccc(Cl)s2)CCOCC1 ZINC000225714886 242000962 /nfs/dbraw/zinc/00/09/62/242000962.db2.gz OKXZPQSTQANJNJ-RWMBFGLXSA-N 1 0 329.893 3.679 50 0 EHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(OC)c1OC ZINC000021720898 212244132 /nfs/dbraw/zinc/24/41/32/212244132.db2.gz ONXZZGDACJRALW-OAHLLOKOSA-N 1 0 330.428 3.900 50 0 EHAARO CC(C)Cc1nsc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)n1 ZINC000242047956 243010718 /nfs/dbraw/zinc/01/07/18/243010718.db2.gz VRNHZBVZOVJOPH-AWEZNQCLSA-N 1 0 345.516 3.769 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccc2c(c1)CCC2 ZINC000244778684 243077950 /nfs/dbraw/zinc/07/79/50/243077950.db2.gz PUVTXTWXQNHCJU-HXUWFJFHSA-N 1 0 335.451 3.736 50 0 EHAARO c1ccc(COc2ccccc2OCCCC[NH+]2CCOCC2)cc1 ZINC000020653024 212160125 /nfs/dbraw/zinc/16/01/25/212160125.db2.gz QNBBFKNEIJVWSU-UHFFFAOYSA-N 1 0 341.451 3.757 50 0 EHAARO Fc1ccc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)o2)cc1Cl ZINC000020477347 212135649 /nfs/dbraw/zinc/13/56/49/212135649.db2.gz ASYRTUIOWORHKC-QGZVFWFLSA-N 1 0 334.822 3.923 50 0 EHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2cc(C)c(C)o2)C1 ZINC000020451678 212131328 /nfs/dbraw/zinc/13/13/28/212131328.db2.gz SHDYFXXJVZUTTO-IBGZPJMESA-N 1 0 327.472 3.778 50 0 EHAARO OC1(c2ccccn2)CC[NH+](CCCc2ccccc2Cl)CC1 ZINC000020322251 212119659 /nfs/dbraw/zinc/11/96/59/212119659.db2.gz VSJKSITYWRYPTJ-UHFFFAOYSA-N 1 0 330.859 3.651 50 0 EHAARO OCC[C@H]1CN(CCCc2ccccc2)CC[N@@H+]1CC1CCCCC1 ZINC000020202081 212111067 /nfs/dbraw/zinc/11/10/67/212111067.db2.gz GXLREAWVTLVBTM-QFIPXVFZSA-N 1 0 344.543 3.568 50 0 EHAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](CC1CC1)CC2 ZINC000077516686 216925104 /nfs/dbraw/zinc/92/51/04/216925104.db2.gz PMNGQVMHONGWOZ-UHFFFAOYSA-N 1 0 332.875 3.565 50 0 EHAARO Cc1oc(C(C)C)cc1-c1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019633651 212053514 /nfs/dbraw/zinc/05/35/14/212053514.db2.gz GNARIBOLCIDAHZ-UHFFFAOYSA-N 1 0 338.411 3.778 50 0 EHAARO Cc1occc1C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048884981 213970093 /nfs/dbraw/zinc/97/00/93/213970093.db2.gz IGKRSLAHLHKBTQ-HZPDHXFCSA-N 1 0 340.467 3.996 50 0 EHAARO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000078939499 217152567 /nfs/dbraw/zinc/15/25/67/217152567.db2.gz NBNVQFTZDNJGHH-CYBMUJFWSA-N 1 0 347.256 3.530 50 0 EHAARO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-c3nc[nH]n3)c1)CCCO2 ZINC000089731374 217833167 /nfs/dbraw/zinc/83/31/67/217833167.db2.gz DCCUSLLQMFDLCS-KRWDZBQOSA-N 1 0 338.386 3.614 50 0 EHAARO CC(C)[NH+]1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000012442760 211383396 /nfs/dbraw/zinc/38/33/96/211383396.db2.gz TUFQJGIODPWKGA-UHFFFAOYSA-N 1 0 328.378 3.556 50 0 EHAARO C/C=C(\C)C[NH+]1CCC(O)(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012299620 211336180 /nfs/dbraw/zinc/33/61/80/211336180.db2.gz JPOVEPZAZBDLRE-HQYXKAPLSA-N 1 0 326.440 3.677 50 0 EHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000012208894 211321448 /nfs/dbraw/zinc/32/14/48/211321448.db2.gz WAAYBUDUCUKNEK-OAQYLSRUSA-N 1 0 340.511 3.756 50 0 EHAARO CC[NH2+]CC[C@@H]1CCC(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000012204572 211319709 /nfs/dbraw/zinc/31/97/09/211319709.db2.gz NANYIQYZERWMSK-FQEVSTJZSA-N 1 0 336.479 3.809 50 0 EHAARO CCN1CC2(CCC1=O)CC[NH+](Cc1cc(F)ccc1Cl)CC2 ZINC000091391515 218001534 /nfs/dbraw/zinc/00/15/34/218001534.db2.gz HXWRSMDGLKOOOH-UHFFFAOYSA-N 1 0 338.854 3.704 50 0 EHAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011934366 211272744 /nfs/dbraw/zinc/27/27/44/211272744.db2.gz PQEPVQJRYDRCKI-KRWDZBQOSA-N 1 0 329.440 3.890 50 0 EHAARO CSc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000011933799 211269299 /nfs/dbraw/zinc/26/92/99/211269299.db2.gz CTALCIVNSIMKDD-FQEVSTJZSA-N 1 0 344.524 3.633 50 0 EHAARO Cc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2F)c1 ZINC000011911089 211267345 /nfs/dbraw/zinc/26/73/45/211267345.db2.gz QMNHJXIYJGTCAU-IBGZPJMESA-N 1 0 340.442 3.805 50 0 EHAARO Cc1cc(C(=O)N2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)c(C)o1 ZINC000011817397 211250815 /nfs/dbraw/zinc/25/08/15/211250815.db2.gz QYNHIRROGILWOX-GOSISDBHSA-N 1 0 332.488 3.727 50 0 EHAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ccc(F)cc3)c1)C2 ZINC000091586524 218025681 /nfs/dbraw/zinc/02/56/81/218025681.db2.gz SKJUZECJEPNBCH-FOIQADDNSA-N 1 0 338.426 3.659 50 0 EHAARO O=C1CCC2(CC[NH+](Cc3ccsc3)CC2)CN1C1CCCC1 ZINC000091691400 218047744 /nfs/dbraw/zinc/04/77/44/218047744.db2.gz HTKFERYYBZHPIG-UHFFFAOYSA-N 1 0 332.513 3.895 50 0 EHAARO O=C1N(CC2CCC2)CCC[C@@]12CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000091845502 218075061 /nfs/dbraw/zinc/07/50/61/218075061.db2.gz ULHHNTMAPUHSRD-PXWJQCMDSA-N 1 0 338.495 3.814 50 0 EHAARO O=C1NCCC[C@@]12CC[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000091877018 218083893 /nfs/dbraw/zinc/08/38/93/218083893.db2.gz WOJPOKFTFVTQQY-IBGZPJMESA-N 1 0 326.465 3.517 50 0 EHAARO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccc(F)cn1 ZINC000092753239 218164324 /nfs/dbraw/zinc/16/43/24/218164324.db2.gz VRBVZPNEGDMLJU-WWTUQBGBSA-N 1 0 349.450 3.802 50 0 EHAARO COc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000010018799 211141016 /nfs/dbraw/zinc/14/10/16/211141016.db2.gz HIHGPZVFWSMQMO-QGZVFWFLSA-N 1 0 347.846 3.773 50 0 EHAARO CCOc1ccccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000009992072 211138618 /nfs/dbraw/zinc/13/86/18/211138618.db2.gz IYLVCBKLCLOBCP-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO O=C(Nc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009691267 211115526 /nfs/dbraw/zinc/11/55/26/211115526.db2.gz MWLRMQNSGPOYCL-UHFFFAOYSA-N 1 0 338.407 3.654 50 0 EHAARO Cc1cccn2c(=O)cc(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)nc12 ZINC000009749436 211123239 /nfs/dbraw/zinc/12/32/39/211123239.db2.gz LGLANSSOTWCBSB-LJQANCHMSA-N 1 0 339.414 3.629 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2c1C ZINC000009513575 211095680 /nfs/dbraw/zinc/09/56/80/211095680.db2.gz CZGHJLBGKAOEQG-FQEVSTJZSA-N 1 0 335.451 3.817 50 0 EHAARO FC(F)(F)c1c[nH]c(C2CC[NH+](Cc3cccc4c[nH]nc43)CC2)n1 ZINC000093566189 218232648 /nfs/dbraw/zinc/23/26/48/218232648.db2.gz YVCQYKQPRQGGLP-UHFFFAOYSA-N 1 0 349.360 3.684 50 0 EHAARO O=C1CCCCN1C1CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000093741522 218244741 /nfs/dbraw/zinc/24/47/41/218244741.db2.gz SVJMRBRREUHUGQ-UHFFFAOYSA-N 1 0 347.528 3.778 50 0 EHAARO Cc1cccnc1[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000095354509 218288310 /nfs/dbraw/zinc/28/83/10/218288310.db2.gz BWPZLGYSGRBUEX-OKZBNKHCSA-N 1 0 329.488 3.612 50 0 EHAARO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2C)C1 ZINC000095367377 218300737 /nfs/dbraw/zinc/30/07/37/218300737.db2.gz BJWYUKQEMMHUCU-AZUAARDMSA-N 1 0 339.483 3.696 50 0 EHAARO Cc1cc(C)c2c(ncnc2NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000095377906 218310689 /nfs/dbraw/zinc/31/06/89/218310689.db2.gz IODZKCBQKTUMSB-INIZCTEOSA-N 1 0 339.487 3.708 50 0 EHAARO C[NH+](C)CCSc1ccc(NC(=O)N2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000095403932 218339220 /nfs/dbraw/zinc/33/92/20/218339220.db2.gz WKPNSSLHGDSYOY-IYBDPMFKSA-N 1 0 345.512 3.770 50 0 EHAARO CCSC1(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)CCOCC1 ZINC000095423065 218365015 /nfs/dbraw/zinc/36/50/15/218365015.db2.gz CBKYQXUJDOZEDO-CQSZACIVSA-N 1 0 336.501 3.598 50 0 EHAARO Cc1ncsc1[C@@H](C)[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095422965 218365430 /nfs/dbraw/zinc/36/54/30/218365430.db2.gz GBAGNSDBEWFWPZ-IYXRBSQSSA-N 1 0 339.505 3.938 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(Br)nc1)c1ccc(F)c(F)c1 ZINC000095443042 218387230 /nfs/dbraw/zinc/38/72/30/218387230.db2.gz QENXSKRRBIQKRW-VIFPVBQESA-N 1 0 327.172 3.973 50 0 EHAARO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000095453408 218397544 /nfs/dbraw/zinc/39/75/44/218397544.db2.gz PRCWCKKRLVPIOR-IBGZPJMESA-N 1 0 342.414 3.691 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000006726376 210691458 /nfs/dbraw/zinc/69/14/58/210691458.db2.gz YRJAHUUPRXIFDX-UHFFFAOYSA-N 1 0 330.259 3.989 50 0 EHAARO O[C@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1ccc(Cl)cc1 ZINC000006618397 210664842 /nfs/dbraw/zinc/66/48/42/210664842.db2.gz MELDCHYPEUNVCK-FQEVSTJZSA-N 1 0 341.862 3.990 50 0 EHAARO Cc1cc([C@@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c(C)s1 ZINC000096478413 218855455 /nfs/dbraw/zinc/85/54/55/218855455.db2.gz DFDPJWBCRDOXKH-CQSZACIVSA-N 1 0 330.497 3.960 50 0 EHAARO CN(C(=O)Nc1cccc(-c2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC000097272514 219008047 /nfs/dbraw/zinc/00/80/47/219008047.db2.gz LAWHMPNAEUDVKX-UHFFFAOYSA-N 1 0 327.403 3.708 50 0 EHAARO COc1ccc(OC)c(C[NH+]2CCC(Nc3ccccc3F)CC2)c1 ZINC000004783980 210276388 /nfs/dbraw/zinc/27/63/88/210276388.db2.gz FCFVKUKANZKWCY-UHFFFAOYSA-N 1 0 344.430 3.919 50 0 EHAARO [NH3+][C@@H]1CC[C@H](NC(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)C1 ZINC000426490167 257966800 /nfs/dbraw/zinc/96/68/00/257966800.db2.gz HHCOLWAXQWVNRS-CABCVRRESA-N 1 0 348.368 3.982 50 0 EHAARO Cc1ccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)s1 ZINC000299778923 258088164 /nfs/dbraw/zinc/08/81/64/258088164.db2.gz IUQHFLIVRSVKTC-OTWHNJEPSA-N 1 0 340.492 3.898 50 0 EHAARO Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000006939059 258052676 /nfs/dbraw/zinc/05/26/76/258052676.db2.gz RDXMGPSXXNKVNU-IRLDBZIGSA-N 1 0 339.479 3.948 50 0 EHAARO CCC[N@@H+](Cc1ccc(C)s1)C[C@H](O)COCc1ccccc1 ZINC000036101466 521683263 /nfs/dbraw/zinc/68/32/63/521683263.db2.gz OMQXRPWQTRIRDF-SFHVURJKSA-N 1 0 333.497 3.846 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000000027928 521699333 /nfs/dbraw/zinc/69/93/33/521699333.db2.gz IQMUEHFABBEKGN-UHFFFAOYSA-N 1 0 343.858 3.734 50 0 EHAARO CC[C@@H](C(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccccc1 ZINC000225568550 521833406 /nfs/dbraw/zinc/83/34/06/521833406.db2.gz BORDIPNKKXNLIZ-RBUKOAKNSA-N 1 0 346.540 3.514 50 0 EHAARO Cc1cccc(N2CC[NH+](CCc3ccc4ccccc4n3)CC2)c1 ZINC000000001105 524555926 /nfs/dbraw/zinc/55/59/26/524555926.db2.gz UJNWGFBJUHIJKK-UHFFFAOYSA-N 1 0 331.463 3.908 50 0 EHAARO CC(=O)c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000225827065 534871412 /nfs/dbraw/zinc/87/14/12/534871412.db2.gz VOJNKYDWMWYNBA-OAQYLSRUSA-N 1 0 339.435 3.559 50 0 EHAARO CC[N@H+](CCC(=O)Nc1cccc2ccccc21)CC1CCOCC1 ZINC000244787993 535705457 /nfs/dbraw/zinc/70/54/57/535705457.db2.gz QHKVDUGKCSGBIU-UHFFFAOYSA-N 1 0 340.467 3.917 50 0 EHAARO CCN(Cc1nc2ncccn2c1Br)C1CCCCC1 ZINC000006483223 564025191 /nfs/dbraw/zinc/02/51/91/564025191.db2.gz FZUXHMMWERFWLL-UHFFFAOYSA-N 1 0 337.265 3.646 50 0 EHAARO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)c1ccccc1 ZINC000000196165 563258041 /nfs/dbraw/zinc/25/80/41/563258041.db2.gz ILKMCVDPOZAPQB-UHFFFAOYSA-N 1 0 348.450 3.775 50 0 EHAARO CC(C)(C)OC(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000002512941 563435219 /nfs/dbraw/zinc/43/52/19/563435219.db2.gz GFWPPKOSTVGLQY-UHFFFAOYSA-N 1 0 343.471 3.700 50 0 EHAARO CCCC[N@H+](C)CCC(=O)Nc1ccc(Br)c(C)c1 ZINC000002765126 563449725 /nfs/dbraw/zinc/44/97/25/563449725.db2.gz BWYIUKSCLYBHQC-UHFFFAOYSA-N 1 0 327.266 3.818 50 0 EHAARO c1nc2sc3c(c2c(N2CC[NH+](C4CCCC4)CC2)n1)CCCC3 ZINC000002996318 563468884 /nfs/dbraw/zinc/46/88/84/563468884.db2.gz AAMNSPYXOLXEGO-UHFFFAOYSA-N 1 0 342.512 3.635 50 0 EHAARO CCCC[NH2+]C[C@@H]1COc2ccc(OCc3ccccc3)cc2C1=O ZINC000005590933 563541488 /nfs/dbraw/zinc/54/14/88/563541488.db2.gz VTKRKYXRTYRMHI-QGZVFWFLSA-N 1 0 339.435 3.847 50 0 EHAARO Cc1nnc([C@@H](C)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)o1 ZINC000071902481 563555010 /nfs/dbraw/zinc/55/50/10/563555010.db2.gz BEPPSISHVIQAJU-LSDHHAIUSA-N 1 0 328.460 3.603 50 0 EHAARO Cn1c(C[NH+]2CCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000006690926 563578200 /nfs/dbraw/zinc/57/82/00/563578200.db2.gz HPLOEPAQBIUCCO-UHFFFAOYSA-N 1 0 340.471 3.688 50 0 EHAARO C[NH+](C)C1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000126955404 563641618 /nfs/dbraw/zinc/64/16/18/563641618.db2.gz WSYJYETUTXXPFJ-UHFFFAOYSA-N 1 0 334.769 3.525 50 0 EHAARO CC(C)c1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000009423430 563643900 /nfs/dbraw/zinc/64/39/00/563643900.db2.gz OEPUIZLWCQUCKX-UHFFFAOYSA-N 1 0 337.467 3.814 50 0 EHAARO OCc1ccc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)o1 ZINC000012570680 563663539 /nfs/dbraw/zinc/66/35/39/563663539.db2.gz SWYRSPLKOMYSEM-CQSZACIVSA-N 1 0 335.394 3.895 50 0 EHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC000032678884 563677465 /nfs/dbraw/zinc/67/74/65/563677465.db2.gz KHKUTKCWOCAXFP-UHFFFAOYSA-N 1 0 348.450 3.562 50 0 EHAARO Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)CC(=O)NCc1ccco1 ZINC000012982454 563681644 /nfs/dbraw/zinc/68/16/44/563681644.db2.gz FDYBTYZRODMLHQ-UHFFFAOYSA-N 1 0 342.483 3.942 50 0 EHAARO CCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013731390 563719479 /nfs/dbraw/zinc/71/94/79/563719479.db2.gz DCIGSUJZXZJXEP-UHFFFAOYSA-N 1 0 342.439 3.521 50 0 EHAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000014232916 563753226 /nfs/dbraw/zinc/75/32/26/563753226.db2.gz CLNSBHWVSDAEIB-INIZCTEOSA-N 1 0 335.488 3.823 50 0 EHAARO CCOc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(C)cc2C)cc1 ZINC000014238454 563753590 /nfs/dbraw/zinc/75/35/90/563753590.db2.gz APAKWDLPUDJFME-LJQANCHMSA-N 1 0 343.467 3.574 50 0 EHAARO Fc1ccc(N[C@H]2CCC[N@@H+](C3CSCCSC3)C2)cc1 ZINC000014950085 563767699 /nfs/dbraw/zinc/76/76/99/563767699.db2.gz QGODVYMFFLLCAZ-HNNXBMFYSA-N 1 0 326.506 3.551 50 0 EHAARO Fc1ccc(N2CCN([C@@H]3CCC[N@@H+](C4CCCCC4)C3)CC2)cc1 ZINC000022914565 563865322 /nfs/dbraw/zinc/86/53/22/563865322.db2.gz BOFDCVVTLUVPAE-OAQYLSRUSA-N 1 0 345.506 3.745 50 0 EHAARO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000025229077 563882354 /nfs/dbraw/zinc/88/23/54/563882354.db2.gz DINOAOFUBPAGPQ-FUHWJXTLSA-N 1 0 345.464 3.528 50 0 EHAARO Cc1cc(NC(=O)[C@@H]([NH2+]C2CCC(C)CC2)c2ccccc2)no1 ZINC000028622047 563903560 /nfs/dbraw/zinc/90/35/60/563903560.db2.gz BGOZIKOXUGGHFT-AUCFXJAVSA-N 1 0 327.428 3.831 50 0 EHAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000072268667 563920912 /nfs/dbraw/zinc/92/09/12/563920912.db2.gz NMDKTLUXSYOYFM-HOTGVXAUSA-N 1 0 343.496 3.662 50 0 EHAARO COc1ccc(OC)c2c1C[N@@H+]([C@@H]1CCCc3ccccc31)C[C@@H]2O ZINC000058009129 563936577 /nfs/dbraw/zinc/93/65/77/563936577.db2.gz LTTAMEKSNPHXFV-MSOLQXFVSA-N 1 0 339.435 3.630 50 0 EHAARO CCOC(=O)C1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000058159014 563938176 /nfs/dbraw/zinc/93/81/76/563938176.db2.gz BLNNVLVBGOVTEQ-UHFFFAOYSA-N 1 0 327.877 3.707 50 0 EHAARO CCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000058218014 563940159 /nfs/dbraw/zinc/94/01/59/563940159.db2.gz CBCMFOVVOPOHAO-HXUWFJFHSA-N 1 0 338.451 3.885 50 0 EHAARO CC(=O)NCC1=CCC[N@@H+](C2c3ccccc3CCc3ccccc32)C1 ZINC000065451291 563960890 /nfs/dbraw/zinc/96/08/90/563960890.db2.gz LTGLWXOFZBMUGV-UHFFFAOYSA-N 1 0 346.474 3.643 50 0 EHAARO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)n1C1CC1 ZINC000060410739 563963398 /nfs/dbraw/zinc/96/33/98/563963398.db2.gz NSAFRSMNOBIDJZ-XOBRGWDASA-N 1 0 331.504 3.680 50 0 EHAARO Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(F)c1 ZINC000071388769 563964243 /nfs/dbraw/zinc/96/42/43/563964243.db2.gz PZGDOYCRPONSDY-IBGZPJMESA-N 1 0 332.463 3.717 50 0 EHAARO CC[N@@H+]1CCC[C@@H](c2nccn2Cc2nc3cc(Cl)ccc3[nH]2)C1 ZINC000071750871 563965127 /nfs/dbraw/zinc/96/51/27/563965127.db2.gz KPSMQJYUTNMHPF-CYBMUJFWSA-N 1 0 343.862 3.660 50 0 EHAARO Cn1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)c(-c2cccnc2)n1 ZINC000097015231 563966658 /nfs/dbraw/zinc/96/66/58/563966658.db2.gz DZJMLUPUWJNQGP-SFHVURJKSA-N 1 0 348.450 3.874 50 0 EHAARO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000097033504 563966897 /nfs/dbraw/zinc/96/68/97/563966897.db2.gz HBMKKIRQCLIKTB-INIZCTEOSA-N 1 0 334.851 3.605 50 0 EHAARO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(NC(N)=O)cc3)oc21 ZINC000097034420 563966911 /nfs/dbraw/zinc/96/69/11/563966911.db2.gz FBHVCFDECDZPSG-GFCCVEGCSA-N 1 0 339.395 3.783 50 0 EHAARO c1ncc(-c2cccc(NC3CC[NH+](Cc4ccncc4)CC3)c2)o1 ZINC000097045845 563966955 /nfs/dbraw/zinc/96/69/55/563966955.db2.gz LHSJTSYUSCKVJJ-UHFFFAOYSA-N 1 0 334.423 3.813 50 0 EHAARO CC(C)SCc1cccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000097101567 563967724 /nfs/dbraw/zinc/96/77/24/563967724.db2.gz YLBMCOQCUXUIKL-MRXNPFEDSA-N 1 0 335.517 3.744 50 0 EHAARO CC[C@@H](C(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccccc1 ZINC000225568574 563975836 /nfs/dbraw/zinc/97/58/36/563975836.db2.gz BORDIPNKKXNLIZ-RTBURBONSA-N 1 0 346.540 3.514 50 0 EHAARO CCC[C@@H]1CN(C(=O)c2[nH]c3c(cc(C)cc3C)c2C)C[C@H]1[NH+](C)C ZINC000095501446 563977094 /nfs/dbraw/zinc/97/70/94/563977094.db2.gz GKXHCJBMGKWEDK-SJLPKXTDSA-N 1 0 341.499 3.895 50 0 EHAARO CC[NH+]1CCN(c2ncnc3scc(-c4ccc(C)cc4)c32)CC1 ZINC000000098376 563981483 /nfs/dbraw/zinc/98/14/83/563981483.db2.gz FVQSLGOIPCCJHC-UHFFFAOYSA-N 1 0 338.480 3.809 50 0 EHAARO O[C@H](C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000247806518 563981703 /nfs/dbraw/zinc/98/17/03/563981703.db2.gz ZTDOTOVLNCHEGA-RBUKOAKNSA-N 1 0 339.435 3.718 50 0 EHAARO Cc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c1 ZINC000000262101 563989746 /nfs/dbraw/zinc/98/97/46/563989746.db2.gz BKNQYHCWVYLZJY-INIZCTEOSA-N 1 0 342.512 3.712 50 0 EHAARO Cc1cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C(C)C ZINC000000350506 563991548 /nfs/dbraw/zinc/99/15/48/563991548.db2.gz NQSMIJDNDFNKMS-HXUWFJFHSA-N 1 0 339.479 3.916 50 0 EHAARO COc1ccc(C[NH2+]CCCc2nc3ccccc3s2)cc1O ZINC000073052505 563991556 /nfs/dbraw/zinc/99/15/56/563991556.db2.gz HIUNEJZUTSSAKJ-UHFFFAOYSA-N 1 0 328.437 3.733 50 0 EHAARO CC(=O)NC1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC000408514184 563992812 /nfs/dbraw/zinc/99/28/12/563992812.db2.gz IJGDNWAHMPWHRJ-UHFFFAOYSA-N 1 0 329.271 3.573 50 0 EHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000156526556 563995968 /nfs/dbraw/zinc/99/59/68/563995968.db2.gz QIJMIDFRCWLTAA-JQWIXIFHSA-N 1 0 349.327 3.963 50 0 EHAARO Cc1nc(CN2CCC[N@H+](Cc3cccc4[nH]ccc43)CC2)cs1 ZINC000157261765 563996170 /nfs/dbraw/zinc/99/61/70/563996170.db2.gz SFGGFDAUSGAROJ-UHFFFAOYSA-N 1 0 340.496 3.641 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccnc(C)n4)C3)C2)c1 ZINC000426503336 563996269 /nfs/dbraw/zinc/99/62/69/563996269.db2.gz PDFDUKKIKGPNIN-OAQYLSRUSA-N 1 0 336.483 3.586 50 0 EHAARO C[C@H](c1ccc(-c2ccc(OCC(N)=O)cc2)cc1)[NH+]1CCCCC1 ZINC000426537372 563996282 /nfs/dbraw/zinc/99/62/82/563996282.db2.gz ARNZOQIQOYMGSW-MRXNPFEDSA-N 1 0 338.451 3.765 50 0 EHAARO CCc1nc([C@@H]2CCCN2CCCc2nc3ccccc3o2)no1 ZINC000075573266 564000524 /nfs/dbraw/zinc/00/05/24/564000524.db2.gz SOQMKLKGZPCDOS-AWEZNQCLSA-N 1 0 326.400 3.543 50 0 EHAARO CN(Cc1ccsc1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000062639879 564006991 /nfs/dbraw/zinc/00/69/91/564006991.db2.gz WVWVHTZRMIEZGX-UHFFFAOYSA-N 1 0 346.521 3.569 50 0 EHAARO Fc1cccc(Cl)c1CN1CCC([NH2+]C2CCSCC2)CC1 ZINC000180512613 564013403 /nfs/dbraw/zinc/01/34/03/564013403.db2.gz ICYCZNGWKQPCGG-UHFFFAOYSA-N 1 0 342.911 3.929 50 0 EHAARO CC(=O)c1ccc(NC(=O)O[C@@H]2CCN3Cc4ccccc4N=C23)cc1 ZINC000000485581 564016991 /nfs/dbraw/zinc/01/69/91/564016991.db2.gz UUHOVFWFIBJYHZ-GOSISDBHSA-N 1 0 349.390 3.756 50 0 biogenic EHAARO CCc1ccc([C@H](CNC(=O)Nc2cccc(C)c2)[NH+](C)C)cc1 ZINC000018180253 564018614 /nfs/dbraw/zinc/01/86/14/564018614.db2.gz IMZDYDZMAINJEU-IBGZPJMESA-N 1 0 325.456 3.982 50 0 EHAARO CSc1ccccc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000047038277 564025637 /nfs/dbraw/zinc/02/56/37/564025637.db2.gz MNXVTXHVTYLLJM-IYBDPMFKSA-N 1 0 334.529 3.896 50 0 EHAARO CCc1cccc(C)c1-n1nnnc1C1([NH2+]C(C)C)CCCCC1 ZINC000046078234 564029483 /nfs/dbraw/zinc/02/94/83/564029483.db2.gz JKPOCEQFSTYIKJ-UHFFFAOYSA-N 1 0 327.476 3.691 50 0 EHAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2F)c1 ZINC000048235838 564030185 /nfs/dbraw/zinc/03/01/85/564030185.db2.gz UGHNMSXPWFTCHD-OALUTQOASA-N 1 0 345.414 3.713 50 0 EHAARO Cc1ccc(Cl)cc1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000006877274 564033750 /nfs/dbraw/zinc/03/37/50/564033750.db2.gz DQSQASBSOGHAIU-UHFFFAOYSA-N 1 0 335.879 3.988 50 0 EHAARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000000819255 564035263 /nfs/dbraw/zinc/03/52/63/564035263.db2.gz ZESVCDGANBTCCG-HNNXBMFYSA-N 1 0 334.891 3.811 50 0 EHAARO COc1cc(C[NH2+][C@@H]2CCOc3ccccc32)cc(Cl)c1OC ZINC000025357473 564037187 /nfs/dbraw/zinc/03/71/87/564037187.db2.gz LGEJIHXOOZSPKK-OAHLLOKOSA-N 1 0 333.815 3.971 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000028925055 564047594 /nfs/dbraw/zinc/04/75/94/564047594.db2.gz FMLIGZGQYRQSMK-OAHLLOKOSA-N 1 0 334.423 3.682 50 0 EHAARO C[NH+](C)[C@H](CNc1ncnc2sc3c(c21)CCCC3)c1ccco1 ZINC000005955212 564057293 /nfs/dbraw/zinc/05/72/93/564057293.db2.gz CPPIOCPRIDRRDR-CYBMUJFWSA-N 1 0 342.468 3.878 50 0 EHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000004026706 564061252 /nfs/dbraw/zinc/06/12/52/564061252.db2.gz GLWKVBMAXIHLJD-UNHJQWNMSA-N 1 0 349.559 3.732 50 0 biogenic EHAARO Fc1ccc(N2CCC([NH2+]Cc3cc(C4CC4)on3)CC2)cc1F ZINC000534644706 564061306 /nfs/dbraw/zinc/06/13/06/564061306.db2.gz JCGXQKAIRWWDBD-UHFFFAOYSA-N 1 0 333.382 3.589 50 0 EHAARO CCCCN(Cc1cccc(Cl)c1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000534649555 564061508 /nfs/dbraw/zinc/06/15/08/564061508.db2.gz ZETSORVGBGGYFF-CQSZACIVSA-N 1 0 325.884 3.602 50 0 EHAARO C[NH+](C)C1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000083847933 564063823 /nfs/dbraw/zinc/06/38/23/564063823.db2.gz ORPLJZGGPCBOEV-UHFFFAOYSA-N 1 0 340.492 3.680 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1cccc2ccccc21)N1CCCCC1 ZINC000084598384 564068960 /nfs/dbraw/zinc/06/89/60/564068960.db2.gz BKUBOYDGEQPLSE-HXUWFJFHSA-N 1 0 336.479 3.859 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1 ZINC000012778381 564069726 /nfs/dbraw/zinc/06/97/26/564069726.db2.gz CQJBHHNAKPBKNS-UHFFFAOYSA-N 1 0 348.446 3.501 50 0 EHAARO CC(C)Oc1ccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1F ZINC000085313446 564072644 /nfs/dbraw/zinc/07/26/44/564072644.db2.gz PRASBXQFKAHTCV-HSZRJFAPSA-N 1 0 335.444 3.640 50 0 EHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)c3cc(Cl)ccc3[nH]2)cc1 ZINC000015862261 564077039 /nfs/dbraw/zinc/07/70/39/564077039.db2.gz MFKRGKXHZKJELS-UHFFFAOYSA-N 1 0 342.826 3.822 50 0 EHAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000012903493 564077774 /nfs/dbraw/zinc/07/77/74/564077774.db2.gz TYOKXPIYYHXYOG-HXUWFJFHSA-N 1 0 338.451 3.539 50 0 EHAARO C[C@H](C(=O)N1CCC[C@H]1c1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000222125097 564084290 /nfs/dbraw/zinc/08/42/90/564084290.db2.gz WAMLNCSTJCKBBF-ZOCIIQOWSA-N 1 0 326.415 3.825 50 0 EHAARO C[C@@H](NC(=O)NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000013005481 564086383 /nfs/dbraw/zinc/08/63/83/564086383.db2.gz NGBDGVDROOTNSX-YLJYHZDGSA-N 1 0 337.467 3.711 50 0 EHAARO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)Cc1cncs1 ZINC000241383575 564088339 /nfs/dbraw/zinc/08/83/39/564088339.db2.gz MWHWBCWKZINHLA-MNZLEMJZSA-N 1 0 329.513 3.732 50 0 EHAARO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000242048038 564088444 /nfs/dbraw/zinc/08/84/44/564088444.db2.gz VSEYQCUUTWRCLS-VDGAXYAQSA-N 1 0 347.405 3.642 50 0 EHAARO Clc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2cn3ccsc3n2)cc1 ZINC000192055012 564089984 /nfs/dbraw/zinc/08/99/84/564089984.db2.gz MDRQZBSJTZFWPM-HUUCEWRRSA-N 1 0 333.844 3.669 50 0 EHAARO C[C@H](O)c1ccc(CNCc2c(F)cccc2Br)cc1 ZINC000192500618 564090223 /nfs/dbraw/zinc/09/02/23/564090223.db2.gz VKERWSMACFBEKU-NSHDSACASA-N 1 0 338.220 3.931 50 0 EHAARO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2cccc(C)c2n1 ZINC000064590801 564092599 /nfs/dbraw/zinc/09/25/99/564092599.db2.gz PEGXRLLPFJEEPP-UHFFFAOYSA-N 1 0 341.842 3.678 50 0 EHAARO Cc1[nH]ccc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426599465 564094174 /nfs/dbraw/zinc/09/41/74/564094174.db2.gz BQDHXKRPLRPLAT-LJQANCHMSA-N 1 0 325.456 3.670 50 0 EHAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-c2nccc3ccccc32)cc1 ZINC000426599600 564094207 /nfs/dbraw/zinc/09/42/07/564094207.db2.gz NBZZHRAXOQJUMB-LJQANCHMSA-N 1 0 345.446 3.855 50 0 EHAARO COc1cc2ccccc2cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000006992454 564102673 /nfs/dbraw/zinc/10/26/73/564102673.db2.gz UBHPBTQAGWMQMC-UHFFFAOYSA-N 1 0 348.446 3.840 50 0 EHAARO CCCC[N@H+](C)Cc1nc(-c2ccc(N3CCC[C@H](C)C3)nc2)no1 ZINC000065216013 564102878 /nfs/dbraw/zinc/10/28/78/564102878.db2.gz PDOYYHXRNUZXJC-HNNXBMFYSA-N 1 0 343.475 3.600 50 0 EHAARO COc1ccc(C[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000007015212 564103182 /nfs/dbraw/zinc/10/31/82/564103182.db2.gz IQPOPFNVQMIQMU-UHFFFAOYSA-N 1 0 326.440 3.855 50 0 EHAARO O=C(C[C@@H]1C=CCC1)N[C@@H](Cc1ccccc1)C[NH+]1CCCCC1 ZINC000065551828 564107452 /nfs/dbraw/zinc/10/74/52/564107452.db2.gz YOJFTNUFDLEVTM-UXHICEINSA-N 1 0 326.484 3.556 50 0 EHAARO COCc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000170591416 564108771 /nfs/dbraw/zinc/10/87/71/564108771.db2.gz CRGXHQNEZIDALZ-OAQYLSRUSA-N 1 0 327.468 3.852 50 0 EHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000192967773 564111663 /nfs/dbraw/zinc/11/16/63/564111663.db2.gz ZQJAPQQLPMUXIK-VWYCJHECSA-N 1 0 328.206 3.798 50 0 EHAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccccc1OCC1CC1)CCC2 ZINC000089702133 564113208 /nfs/dbraw/zinc/11/32/08/564113208.db2.gz RGIAROHSRVTRKL-GOSISDBHSA-N 1 0 325.456 3.648 50 0 EHAARO CSc1ccc(CNc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000076017857 564114464 /nfs/dbraw/zinc/11/44/64/564114464.db2.gz ZTVKESYSCSGDCD-UHFFFAOYSA-N 1 0 342.508 3.977 50 0 EHAARO COc1cc([C@@H](C)[NH2+]Cc2ccnn2C)ccc1SC(F)F ZINC000089904739 564115023 /nfs/dbraw/zinc/11/50/23/564115023.db2.gz UOICUNUGMNSVSJ-SNVBAGLBSA-N 1 0 327.400 3.594 50 0 EHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000237493696 564117713 /nfs/dbraw/zinc/11/77/13/564117713.db2.gz NMBFNKMPISMARW-OCCSQVGLSA-N 1 0 346.377 3.709 50 0 EHAARO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237409801 564117724 /nfs/dbraw/zinc/11/77/24/564117724.db2.gz PWQRXHCGHWLNHS-BXUZGUMPSA-N 1 0 341.282 3.903 50 0 EHAARO Cc1sc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1-c1ccc(F)cc1 ZINC000237618873 564117754 /nfs/dbraw/zinc/11/77/54/564117754.db2.gz ADMVBPVUYGGBOK-XHDPSFHLSA-N 1 0 332.444 3.814 50 0 EHAARO CCN(C)c1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cn1 ZINC000252487488 564119389 /nfs/dbraw/zinc/11/93/89/564119389.db2.gz HWWLZFYYEWQQEU-KRWDZBQOSA-N 1 0 329.419 3.680 50 0 EHAARO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(O)ccc2Cl)C1 ZINC000252498775 564119798 /nfs/dbraw/zinc/11/97/98/564119798.db2.gz RKTXRTXNOHCIOJ-ZDUSSCGKSA-N 1 0 338.879 3.676 50 0 EHAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000252517382 564120296 /nfs/dbraw/zinc/12/02/96/564120296.db2.gz HFCJJLFLFOGFOY-UUWFMWQGSA-N 1 0 336.426 3.653 50 0 EHAARO CO[C@@H](c1noc([C@H](C)N2[C@H](C)CC[C@H]2C)n1)c1ccc(F)cc1 ZINC000252551882 564120746 /nfs/dbraw/zinc/12/07/46/564120746.db2.gz UJFADMNCVWDAQU-NFFDBFGFSA-N 1 0 333.407 3.878 50 0 EHAARO Cc1ccc2c(CC[NH2+][C@H](c3ncc[nH]3)c3cccnc3)cn(C)c2c1 ZINC000195125833 564122766 /nfs/dbraw/zinc/12/27/66/564122766.db2.gz KTLKFLYNNHQSPD-FQEVSTJZSA-N 1 0 345.450 3.527 50 0 EHAARO O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066157974 564124571 /nfs/dbraw/zinc/12/45/71/564124571.db2.gz AJBDDIVOYDXZSR-FQEVSTJZSA-N 1 0 349.478 3.979 50 0 EHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2F)C[C@H]1C ZINC000252671052 564124831 /nfs/dbraw/zinc/12/48/31/564124831.db2.gz MNPAUIWVVPKAOQ-DGCLKSJQSA-N 1 0 327.831 3.816 50 0 EHAARO CC[C@H](NC(=O)N1CC([NH+]2CCCCC2)C1)c1ccc(C)c(C)c1 ZINC000584887160 564131474 /nfs/dbraw/zinc/13/14/74/564131474.db2.gz CYYLOFJOGVNOEQ-IBGZPJMESA-N 1 0 329.488 3.634 50 0 EHAARO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000253431363 564131796 /nfs/dbraw/zinc/13/17/96/564131796.db2.gz GWCYOXOQMXOOOS-OXQOHEQNSA-N 1 0 344.499 3.627 50 0 EHAARO CN1CCC([NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000013165271 564136119 /nfs/dbraw/zinc/13/61/19/564136119.db2.gz ADALDZPUHJXOAI-HXUWFJFHSA-N 1 0 333.479 3.984 50 0 EHAARO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2O)cc(C)c1OCc1ccccn1 ZINC000078724924 564136947 /nfs/dbraw/zinc/13/69/47/564136947.db2.gz WTFMVPZQWRASQP-PMACEKPBSA-N 1 0 340.467 3.671 50 0 EHAARO COc1ncccc1C[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000390833495 564138789 /nfs/dbraw/zinc/13/87/89/564138789.db2.gz IHQXFPNZBPJYJQ-MSOLQXFVSA-N 1 0 330.403 3.581 50 0 EHAARO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4cc[nH]c4c3)CC2)c1C ZINC000020287247 564139135 /nfs/dbraw/zinc/13/91/35/564139135.db2.gz ISZGRWBIURFVCG-JOCHJYFZSA-N 1 0 349.478 3.640 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNc2nc(-c3cccnc3)nc3ccccc32)C1 ZINC000095957882 564142570 /nfs/dbraw/zinc/14/25/70/564142570.db2.gz OGMUUQBYFXRHRK-INIZCTEOSA-N 1 0 347.466 3.836 50 0 EHAARO C[C@@H](C[NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1F ZINC000095968744 564143250 /nfs/dbraw/zinc/14/32/50/564143250.db2.gz VEBKAMIMRRHYEF-HNNXBMFYSA-N 1 0 345.437 3.718 50 0 EHAARO C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000095987907 564144057 /nfs/dbraw/zinc/14/40/57/564144057.db2.gz YRNBZOVNKOBQKY-ZDUSSCGKSA-N 1 0 337.423 3.780 50 0 EHAARO C[N@H+](C[C@H](O)CCc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000096013745 564144844 /nfs/dbraw/zinc/14/48/44/564144844.db2.gz LNVKTJAPYHTFRQ-FGZHOGPDSA-N 1 0 338.495 3.581 50 0 EHAARO Cc1ccc(NC(=O)N(C)[C@H](C)c2ccco2)c(OCC[NH+](C)C)c1 ZINC000096416037 564147781 /nfs/dbraw/zinc/14/77/81/564147781.db2.gz UZVSIECJQXALJU-OAHLLOKOSA-N 1 0 345.443 3.753 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cncn3)c2)c1 ZINC000096478962 564148547 /nfs/dbraw/zinc/14/85/47/564148547.db2.gz GDNKABAWAPPSOD-GJZGRUSLSA-N 1 0 349.438 3.638 50 0 EHAARO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000283264117 564148893 /nfs/dbraw/zinc/14/88/93/564148893.db2.gz WFKCVEKZNHNASV-HUUCEWRRSA-N 1 0 344.405 3.778 50 0 EHAARO CN(C)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000002632805 564151504 /nfs/dbraw/zinc/15/15/04/564151504.db2.gz XURKHWYSSWNKRX-UHFFFAOYSA-N 1 0 343.515 3.671 50 0 EHAARO CSc1ccc(C[N@H+](C)C[C@H](O)COCc2ccccc2F)cc1 ZINC000002664070 564152093 /nfs/dbraw/zinc/15/20/93/564152093.db2.gz CTTLDHGLOBTJPN-KRWDZBQOSA-N 1 0 349.471 3.557 50 0 EHAARO CCOc1ccc(NC(=S)N2CCC([N@H+](C)[C@H](C)CC)CC2)cc1 ZINC000003060245 564154822 /nfs/dbraw/zinc/15/48/22/564154822.db2.gz NFXMJIWGVQTVFP-OAHLLOKOSA-N 1 0 349.544 3.977 50 0 EHAARO CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000057861397 564156274 /nfs/dbraw/zinc/15/62/74/564156274.db2.gz WCVCZEROBMZLKI-QGZVFWFLSA-N 1 0 327.428 3.785 50 0 EHAARO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1cnn(-c2ccccc2F)c1 ZINC000670446182 564158716 /nfs/dbraw/zinc/15/87/16/564158716.db2.gz LNUOSNZUZBXBBO-HXUWFJFHSA-N 1 0 339.414 3.567 50 0 EHAARO Fc1cccc(Nc2nnc(SCC[NH+]3CCCCC3)s2)c1 ZINC000007990544 564161991 /nfs/dbraw/zinc/16/19/91/564161991.db2.gz AVRQNWPPQGCMJF-UHFFFAOYSA-N 1 0 338.477 3.999 50 0 EHAARO Cc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccccn2)c1 ZINC000008581580 564165821 /nfs/dbraw/zinc/16/58/21/564165821.db2.gz XYGZWRZGRPLRLS-MRXNPFEDSA-N 1 0 342.512 3.712 50 0 EHAARO O=C(c1ccccc1)[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2)C1 ZINC000244811447 564168515 /nfs/dbraw/zinc/16/85/15/564168515.db2.gz SCUUTEDYFUSFSY-FPOVZHCZSA-N 1 0 334.463 3.860 50 0 EHAARO COc1ccc(-c2cnc(C[N@H+](C)C3Cc4ccccc4C3)o2)cc1 ZINC000069436835 564169474 /nfs/dbraw/zinc/16/94/74/564169474.db2.gz AEAVNVMWEIFLTE-UHFFFAOYSA-N 1 0 334.419 3.949 50 0 EHAARO O=C(CCN1CCC[C@H]1C[NH+]1CCCCC1)Nc1ccccc1Cl ZINC000069516693 564170077 /nfs/dbraw/zinc/17/00/77/564170077.db2.gz RQJLGQYEQRRVFU-INIZCTEOSA-N 1 0 349.906 3.619 50 0 EHAARO CC[N@@H+]1CCCN(C(=O)CCCCc2nc3ccccc3s2)CC1 ZINC000069601907 564170898 /nfs/dbraw/zinc/17/08/98/564170898.db2.gz SGDFMHOOGNINEU-UHFFFAOYSA-N 1 0 345.512 3.563 50 0 EHAARO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)Nc1ccccc1 ZINC000069631846 564171119 /nfs/dbraw/zinc/17/11/19/564171119.db2.gz MYJKILJLJNUCCV-HXUWFJFHSA-N 1 0 349.482 3.708 50 0 EHAARO Clc1cc2cccnc2c(C[N@@H+]2CCCC[C@H]2Cn2cncn2)c1 ZINC000069709292 564171736 /nfs/dbraw/zinc/17/17/36/564171736.db2.gz HWJDQWYSIGUQEB-KRWDZBQOSA-N 1 0 341.846 3.534 50 0 EHAARO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000070021690 564173369 /nfs/dbraw/zinc/17/33/69/564173369.db2.gz FYJMLROVGZYTSJ-NVXWUHKLSA-N 1 0 337.427 3.549 50 0 EHAARO O=C(C[C@H]1C=CCC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000041400327 564173848 /nfs/dbraw/zinc/17/38/48/564173848.db2.gz HLJGNAQVJRBLHQ-MAUKXSAKSA-N 1 0 332.875 3.949 50 0 EHAARO Cc1nc(C)c([C@H](C)[NH2+]Cc2c(C)nn(CC(C)C)c2N(C)C)s1 ZINC000071853277 564176019 /nfs/dbraw/zinc/17/60/19/564176019.db2.gz TUSWCGIRSXIJEA-ZDUSSCGKSA-N 1 0 349.548 3.838 50 0 EHAARO CCC[C@@]1(CO)CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000288961049 1017534999 /nfs/dbraw/zinc/53/49/99/1017534999.db2.gz YENYNUCJJKMRDI-GOSISDBHSA-N 1 0 334.460 3.934 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000005823065 1019939696 /nfs/dbraw/zinc/93/96/96/1019939696.db2.gz GUAXZTAEXLUDCL-UHFFFAOYSA-N 1 0 343.858 3.734 50 0 EHAARO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2cc(F)ccc2s1 ZINC000194231096 1024040016 /nfs/dbraw/zinc/04/00/16/1024040016.db2.gz RORAIOSBALKFJY-UHFFFAOYSA-N 1 0 332.444 3.645 50 0 EHAARO c1cn(C[C@@H]2CC[NH2+]C2)nc1-c1cccc(-c2ccc3c(c2)OCO3)c1 ZINC000023580830 1035991813 /nfs/dbraw/zinc/99/18/13/1035991813.db2.gz ZTNZMOKPQKGKSQ-OAHLLOKOSA-N 1 0 347.418 3.555 50 0 EHAARO Cc1nc([C@H]2CC23CC[NH+](Cc2ccc(Cl)c(F)c2)CC3)no1 ZINC000257190755 1038513892 /nfs/dbraw/zinc/51/38/92/1038513892.db2.gz OZAGCMXKZMHIGN-CYBMUJFWSA-N 1 0 335.810 3.940 50 0 EHAARO CC(C)CN1CCCn2ccnc2[C@H]1C1CC[NH+](CC(C)C)CC1 ZINC000257196858 1038563151 /nfs/dbraw/zinc/56/31/51/1038563151.db2.gz YZPNJKRPHNPQGF-LJQANCHMSA-N 1 0 332.536 3.654 50 0 EHAARO CCN(C(=O)[C@H](C)OCC(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106152733 1041572227 /nfs/dbraw/zinc/57/22/27/1041572227.db2.gz LZVFHDBCMJLOFT-HBFSDRIKSA-N 1 0 346.515 3.732 50 0 EHAARO CC[NH+](CC)CCCC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000004270091 1041574373 /nfs/dbraw/zinc/57/43/73/1041574373.db2.gz BWQHLNICNIFWMJ-UHFFFAOYSA-N 1 0 325.452 3.614 50 0 EHAARO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)ccn1 ZINC000527537802 1127542794 /nfs/dbraw/zinc/54/27/94/1127542794.db2.gz GSFZBAHXONIWLS-GOSISDBHSA-N 1 0 333.439 3.555 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)/C=C/c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000032216923 1121022735 /nfs/dbraw/zinc/02/27/35/1121022735.db2.gz LWWXJDRMUYNISY-CBHXRGPZSA-N 1 0 340.442 3.820 50 0 EHAARO Fc1ccc(COC2CC[NH+](Cc3cccc4c3OCO4)CC2)cc1 ZINC000181531494 1124920001 /nfs/dbraw/zinc/92/00/01/1124920001.db2.gz BXSNUIWUVOHVPF-UHFFFAOYSA-N 1 0 343.398 3.736 50 0 EHAARO Fc1ccc2c(c1)CCC[C@@H]2Nc1ccc(N2CCOCC2)cn1 ZINC000182886634 1125387888 /nfs/dbraw/zinc/38/78/88/1125387888.db2.gz PEIPQIFPSHVLDB-SFHVURJKSA-N 1 0 327.403 3.547 50 0 EHAARO CC(C)Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)n[nH]1 ZINC000821439083 1130935988 /nfs/dbraw/zinc/93/59/88/1130935988.db2.gz MBZHNWZGMTVFIY-UHFFFAOYSA-N 1 0 340.471 3.846 50 0 EHAARO O=C(c1cccc(OC2C[NH+](C3CCCCCC3)C2)c1)N1CCCC1 ZINC000581783838 1132357520 /nfs/dbraw/zinc/35/75/20/1132357520.db2.gz GDOQJVIUHAXVKW-UHFFFAOYSA-N 1 0 342.483 3.708 50 0 EHAARO Cc1c[nH+]c(C)n1C[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000581808396 1132371245 /nfs/dbraw/zinc/37/12/45/1132371245.db2.gz SZUDQLYNGCSCDP-OAHLLOKOSA-N 1 0 330.407 3.583 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000581814050 1132377061 /nfs/dbraw/zinc/37/70/61/1132377061.db2.gz QSEPKPNADAWHLW-OAHLLOKOSA-N 1 0 348.450 3.713 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000581814049 1132377379 /nfs/dbraw/zinc/37/73/79/1132377379.db2.gz QSEPKPNADAWHLW-HNNXBMFYSA-N 1 0 348.450 3.713 50 0 EHAARO CC1=C[C@H](C)O[C@H](c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)C1 ZINC000008553094 1136493036 /nfs/dbraw/zinc/49/30/36/1136493036.db2.gz NREKQQJAYSTICF-CUWPLCDZSA-N 1 0 345.483 3.708 50 0 EHAARO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2oc3ccccc3c2Cl)C1 ZINC000585118297 1137009087 /nfs/dbraw/zinc/00/90/87/1137009087.db2.gz JFDJUQWAOVSUJE-VXGBXAGGSA-N 1 0 341.860 3.532 50 0 EHAARO Cc1cnccc1CC[NH2+]Cc1ncc(Br)cc1Cl ZINC000585117657 1137010614 /nfs/dbraw/zinc/01/06/14/1137010614.db2.gz QENHSXSGAVYLNE-UHFFFAOYSA-N 1 0 340.652 3.533 50 0 EHAARO OC1(CCC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000630061457 1137298962 /nfs/dbraw/zinc/29/89/62/1137298962.db2.gz XGXKOTADXMSFJW-UYAOXDASSA-N 1 0 328.500 3.639 50 0 EHAARO Cc1ccc(C(C)(C)CC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000952846238 1137482667 /nfs/dbraw/zinc/48/26/67/1137482667.db2.gz RHTKHONPMCHQGC-GOSISDBHSA-N 1 0 328.500 3.511 50 0 EHAARO c1cc([C@@H]2CCCCO2)oc1C[NH2+]Cc1ccc2nsnc2c1 ZINC000952960232 1137483834 /nfs/dbraw/zinc/48/38/34/1137483834.db2.gz QXVVMQRFYKFMIC-INIZCTEOSA-N 1 0 329.425 3.816 50 0 EHAARO O=C(Cc1c(F)cc(F)cc1F)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952967789 1137484989 /nfs/dbraw/zinc/48/49/89/1137484989.db2.gz LPBGQWWINOABSN-UHFFFAOYSA-N 1 0 348.368 3.881 50 0 EHAARO C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cc2ccccc2[nH]c1=O ZINC000111681761 1140639889 /nfs/dbraw/zinc/63/98/89/1140639889.db2.gz FMYNZWOCPKCJEF-UHFFFAOYSA-N 1 0 347.462 3.760 50 0 EHAARO Clc1ccc(COc2cccc(-c3nc4c([nH]3)C[NH2+]CC4)c2)cc1 ZINC000097654024 219043922 /nfs/dbraw/zinc/04/39/22/219043922.db2.gz PFHBCBMJZWDOHM-UHFFFAOYSA-N 1 0 339.826 3.955 50 0 EHAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000052211818 214122131 /nfs/dbraw/zinc/12/21/31/214122131.db2.gz JSBQNWMYEYUZBV-SFHVURJKSA-N 1 0 340.492 3.778 50 0 EHAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)c2)n1 ZINC000097674250 219045580 /nfs/dbraw/zinc/04/55/80/219045580.db2.gz SRYHSBXYCHJABF-IBGZPJMESA-N 1 0 347.466 3.659 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000054398667 214237703 /nfs/dbraw/zinc/23/77/03/214237703.db2.gz QRBPLEWGWVLVHM-HXUWFJFHSA-N 1 0 337.467 3.699 50 0 EHAARO CC[C@H]([NH2+]Cc1c(C)cc(C)c(COC(C)=O)c1C)c1ccnn1C ZINC000055153802 214280299 /nfs/dbraw/zinc/28/02/99/214280299.db2.gz QKQLMLPCKUICDX-IBGZPJMESA-N 1 0 343.471 3.649 50 0 EHAARO CC(=O)OCc1c(C)cc(C)c(C[N@@H+](C)[C@@H](C)c2ccncn2)c1C ZINC000055327136 214307262 /nfs/dbraw/zinc/30/72/62/214307262.db2.gz LQDXFBBRGXPAHR-INIZCTEOSA-N 1 0 341.455 3.658 50 0 EHAARO C[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCc2sccc2C1 ZINC000055899957 214347197 /nfs/dbraw/zinc/34/71/97/214347197.db2.gz PABBNPOONSZGRI-ZDUSSCGKSA-N 1 0 346.521 3.704 50 0 EHAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000004576269 210224961 /nfs/dbraw/zinc/22/49/61/210224961.db2.gz LXQMNHSAOZPMHZ-UHFFFAOYSA-N 1 0 332.463 3.877 50 0 EHAARO C[NH+](C)CCN(C(=O)c1ccco1)c1nc2c(cccc2Cl)s1 ZINC000004359310 210180371 /nfs/dbraw/zinc/18/03/71/210180371.db2.gz YEIPTLJKRPHPTB-UHFFFAOYSA-N 1 0 349.843 3.751 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccccc1 ZINC000004336806 210174140 /nfs/dbraw/zinc/17/41/40/210174140.db2.gz YERUUUCANGADLI-UHFFFAOYSA-N 1 0 328.843 3.734 50 0 EHAARO C[C@@H]1CCC[N@H+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)C1 ZINC000004173717 210138220 /nfs/dbraw/zinc/13/82/20/210138220.db2.gz BOXSZJJSGYKFPP-AISLHEOYSA-N 1 0 335.532 3.702 50 0 EHAARO CC1CC[NH+](CCCCNC(=O)/C=C/c2c(F)cccc2F)CC1 ZINC000065502891 214937013 /nfs/dbraw/zinc/93/70/13/214937013.db2.gz XQYOKNXHKCGSTA-BQYQJAHWSA-N 1 0 336.426 3.606 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000004021244 210101371 /nfs/dbraw/zinc/10/13/71/210101371.db2.gz GEVHASPEKHFKMQ-ZFWWWQNUSA-N 1 0 343.389 3.912 50 0 EHAARO COCCCN(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000066962851 215098462 /nfs/dbraw/zinc/09/84/62/215098462.db2.gz ZZXJPHAECHFOGY-UHFFFAOYSA-N 1 0 347.503 3.951 50 0 EHAARO COc1ccc([C@@H](CNC(=O)c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000003363676 210018625 /nfs/dbraw/zinc/01/86/25/210018625.db2.gz BVHMPXWBWMAZPV-HXUWFJFHSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO CCc1nc(-c2nccn2C2CC[NH+](Cc3ccccc3)CC2)c(C)[nH]1 ZINC000067460063 215149155 /nfs/dbraw/zinc/14/91/55/215149155.db2.gz GSBRPJWFDRZCRM-UHFFFAOYSA-N 1 0 349.482 3.981 50 0 EHAARO O=C(OCc1ccccc1)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042773675 213532765 /nfs/dbraw/zinc/53/27/65/213532765.db2.gz LUJWZYTYTQZDQE-KRWDZBQOSA-N 1 0 339.435 3.812 50 0 EHAARO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000067675637 215180526 /nfs/dbraw/zinc/18/05/26/215180526.db2.gz HSFWUWIRHQYRFR-AZUAARDMSA-N 1 0 338.499 3.773 50 0 EHAARO CCC(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000067770684 215208357 /nfs/dbraw/zinc/20/83/57/215208357.db2.gz VKTXGBIPKTUHOP-JOCHJYFZSA-N 1 0 342.527 3.980 50 0 EHAARO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000067774932 215210497 /nfs/dbraw/zinc/21/04/97/215210497.db2.gz XPIVWXSNDYHNMR-INIZCTEOSA-N 1 0 339.483 3.609 50 0 EHAARO CCn1ncc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1C ZINC000067805021 215216697 /nfs/dbraw/zinc/21/66/97/215216697.db2.gz ZZJQBJCMYNBGQF-FCHUYYIVSA-N 1 0 349.478 3.715 50 0 EHAARO COc1ccc(OC)c(C[NH+]2CCC(c3cc(C(C)C)n[nH]3)CC2)c1 ZINC000067842571 215227812 /nfs/dbraw/zinc/22/78/12/215227812.db2.gz OHMPSJMMRDAPOQ-UHFFFAOYSA-N 1 0 343.471 3.930 50 0 EHAARO C/C(=C\c1ccco1)C[N@@H+]1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 ZINC000067847358 215230270 /nfs/dbraw/zinc/23/02/70/215230270.db2.gz ALLRHWZNSRQABJ-JMGXUFBMSA-N 1 0 325.452 3.999 50 0 EHAARO C[C@H](c1ccccn1)[N@H+](C)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067975130 215265579 /nfs/dbraw/zinc/26/55/79/215265579.db2.gz PCNQBPFMZDJYFQ-GFCCVEGCSA-N 1 0 327.815 3.770 50 0 EHAARO CCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)CC1CC1 ZINC000002645862 209883155 /nfs/dbraw/zinc/88/31/55/209883155.db2.gz ARYYTFWWDVPXAL-AWEZNQCLSA-N 1 0 332.271 3.855 50 0 EHAARO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000040154220 213274694 /nfs/dbraw/zinc/27/46/94/213274694.db2.gz JGCWLSWSWIYKPC-RDTXWAMCSA-N 1 0 326.465 3.863 50 0 EHAARO CN(Cc1ccsc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000040016105 213250564 /nfs/dbraw/zinc/25/05/64/213250564.db2.gz ZYLUEZOBZUMHIE-INIZCTEOSA-N 1 0 347.484 3.710 50 0 EHAARO C[NH+](C)CCCOc1ccc(C(=O)c2oc3ccccc3c2N)cc1 ZINC000039177356 213231714 /nfs/dbraw/zinc/23/17/14/213231714.db2.gz VAYCWHCKDRBOJM-UHFFFAOYSA-N 1 0 338.407 3.577 50 0 EHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3cccc(F)c3)c2)CC1 ZINC000037279026 213137639 /nfs/dbraw/zinc/13/76/39/213137639.db2.gz IKNQUDZGDHCMNP-UHFFFAOYSA-N 1 0 342.414 3.663 50 0 EHAARO Cc1ccccc1C[N@@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000036104466 213069525 /nfs/dbraw/zinc/06/95/25/213069525.db2.gz KWGJWJICWZRSCK-NRFANRHFSA-N 1 0 327.468 3.783 50 0 EHAARO CCC[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COc1ccccc1C ZINC000036100236 213068023 /nfs/dbraw/zinc/06/80/23/213068023.db2.gz ZBECODKCJWAXNP-IBGZPJMESA-N 1 0 343.467 3.656 50 0 EHAARO CC[C@@H](C)[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccccc1 ZINC000036102237 213067590 /nfs/dbraw/zinc/06/75/90/213067590.db2.gz NQQPMDQTSMJESX-MJGOQNOKSA-N 1 0 343.467 3.736 50 0 EHAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COC(C)(C)C)o1 ZINC000036097684 213065143 /nfs/dbraw/zinc/06/51/43/213065143.db2.gz FFNAJMHPODHCOJ-GOSISDBHSA-N 1 0 331.456 3.766 50 0 EHAARO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000035590834 213040015 /nfs/dbraw/zinc/04/00/15/213040015.db2.gz FFWOYTOSUZFZMF-GGPKGHCWSA-N 1 0 349.515 3.544 50 0 EHAARO Fc1cccc([C@H]2C[N@H+](Cc3ccco3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000072123929 216016432 /nfs/dbraw/zinc/01/64/32/216016432.db2.gz ORUOHLQHBZSJAW-NSISKUIASA-N 1 0 344.405 3.620 50 0 EHAARO Cc1ccc(F)c(C[NH+]2CCC3(CC2)c2ccccc2NC3=O)c1F ZINC000072127280 216017928 /nfs/dbraw/zinc/01/79/28/216017928.db2.gz PJMSEPRKCUTUNT-UHFFFAOYSA-N 1 0 342.389 3.759 50 0 EHAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)c(F)c1 ZINC000072133511 216021867 /nfs/dbraw/zinc/02/18/67/216021867.db2.gz OSLFQEONVFOFOY-AWEZNQCLSA-N 1 0 346.368 3.725 50 0 EHAARO O=c1[nH]ccc2cc(-c3cc(O)cc(CC[C@@H]4CCCC[NH2+]4)c3)ccc21 ZINC000072133328 216022204 /nfs/dbraw/zinc/02/22/04/216022204.db2.gz PXWMOUMSRIRXBK-IBGZPJMESA-N 1 0 348.446 3.975 50 0 EHAARO Oc1ccc(C[NH+]2CCC(OCc3cccnc3)CC2)cc1Cl ZINC000072140113 216025649 /nfs/dbraw/zinc/02/56/49/216025649.db2.gz DISSIGYPYSSRDO-UHFFFAOYSA-N 1 0 332.831 3.622 50 0 EHAARO CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000072144128 216030596 /nfs/dbraw/zinc/03/05/96/216030596.db2.gz CIHYUTMCWPJETA-GOSISDBHSA-N 1 0 332.536 3.695 50 0 EHAARO Cc1cnn(CCC[N@@H+]2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 ZINC000072150991 216039906 /nfs/dbraw/zinc/03/99/06/216039906.db2.gz HXUWWOFUZYGIHO-GOSISDBHSA-N 1 0 341.434 3.824 50 0 EHAARO O=C(NCc1cccc2ccccc21)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072149247 216036770 /nfs/dbraw/zinc/03/67/70/216036770.db2.gz CMMFMEPRMQXHME-GOSISDBHSA-N 1 0 330.431 3.847 50 0 EHAARO CC(C)c1nc(CN(C)C(=O)c2ccccc2[C@H]2CC[NH2+]C2)cs1 ZINC000072153713 216042644 /nfs/dbraw/zinc/04/26/44/216042644.db2.gz ZZYJRODLTVSPOP-AWEZNQCLSA-N 1 0 343.496 3.616 50 0 EHAARO COc1cc(C[NH+]2CCC(OCc3ccccc3)CC2)ccc1O ZINC000072166553 216055486 /nfs/dbraw/zinc/05/54/86/216055486.db2.gz NYSOONNLYFSWKQ-UHFFFAOYSA-N 1 0 327.424 3.582 50 0 EHAARO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(-c4ccccc4)s3)CC2)O1 ZINC000072167065 216058012 /nfs/dbraw/zinc/05/80/12/216058012.db2.gz UNCMYLIIUNWYDU-LJQANCHMSA-N 1 0 342.464 3.880 50 0 EHAARO COc1ccc(C[N@@H+]2CCC[C@@H](COc3ccccc3F)C2)cc1O ZINC000072171365 216062169 /nfs/dbraw/zinc/06/21/69/216062169.db2.gz ZGPAAKNIEPLRMI-MRXNPFEDSA-N 1 0 345.414 3.831 50 0 EHAARO c1coc(-c2ncc(C[NH+]3CCC(OCc4ccccc4)CC3)cn2)c1 ZINC000072170449 216062402 /nfs/dbraw/zinc/06/24/02/216062402.db2.gz QJMYDYIFQNLKJQ-UHFFFAOYSA-N 1 0 349.434 3.918 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)NC1CCCC1 ZINC000072272954 216095658 /nfs/dbraw/zinc/09/56/58/216095658.db2.gz XXHSVHQMUFKVFK-INIZCTEOSA-N 1 0 343.496 3.882 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000072303386 216142002 /nfs/dbraw/zinc/14/20/02/216142002.db2.gz KSJOIYSPJNXFTN-MRXNPFEDSA-N 1 0 337.467 3.669 50 0 EHAARO CN(C)[C@@H](C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)c1cnn(C)c1 ZINC000130142928 223126218 /nfs/dbraw/zinc/12/62/18/223126218.db2.gz CLKCVNAPHHQZPN-MOPGFXCFSA-N 1 0 346.906 3.734 50 0 EHAARO CN(C)[C@@H](C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)c1cnn(C)c1 ZINC000130143397 223126400 /nfs/dbraw/zinc/12/64/00/223126400.db2.gz CLKCVNAPHHQZPN-OALUTQOASA-N 1 0 346.906 3.734 50 0 EHAARO CN(C)Cc1csc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC000072475411 216253070 /nfs/dbraw/zinc/25/30/70/216253070.db2.gz SXADKNIPWFKZAT-GOSISDBHSA-N 1 0 342.508 3.905 50 0 EHAARO CCSCc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000072551361 216273540 /nfs/dbraw/zinc/27/35/40/216273540.db2.gz NIBZAAUXSUQCSC-SJORKVTESA-N 1 0 333.501 3.640 50 0 EHAARO CC(C)[NH+](CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(C)C ZINC000022622969 212312704 /nfs/dbraw/zinc/31/27/04/212312704.db2.gz RMCCACKNDKCEGK-UHFFFAOYSA-N 1 0 341.499 3.895 50 0 EHAARO C[NH+](C)C1(CNC(=O)Nc2nc3ccccc3s2)CCCCC1 ZINC000022386714 212294442 /nfs/dbraw/zinc/29/44/42/212294442.db2.gz AUGNEDORLPPIEA-UHFFFAOYSA-N 1 0 332.473 3.682 50 0 EHAARO CCc1ccc(OC[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000022405290 212295260 /nfs/dbraw/zinc/29/52/60/212295260.db2.gz HBKJSUGNEQQQMA-GOSISDBHSA-N 1 0 327.424 3.532 50 0 EHAARO c1coc(-c2nc(C[NH2+]C3CCN(c4nccs4)CC3)cs2)c1 ZINC000195557413 241006326 /nfs/dbraw/zinc/00/63/26/241006326.db2.gz CNGPJURHALLUFH-UHFFFAOYSA-N 1 0 346.481 3.618 50 0 EHAARO CC(C)n1cc(CN2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC000216195678 241171167 /nfs/dbraw/zinc/17/11/67/241171167.db2.gz SEKMHXLMHKMIGB-CTNGQTDRSA-N 1 0 338.499 3.560 50 0 EHAARO Cc1[nH]c2c(cccc2C[N@@H+]2CCCN(Cc3ccncc3)CC2)c1C ZINC000215651153 241137349 /nfs/dbraw/zinc/13/73/49/241137349.db2.gz XERQEDZMJCCJBN-UHFFFAOYSA-N 1 0 348.494 3.888 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000022010263 212269941 /nfs/dbraw/zinc/26/99/41/212269941.db2.gz FDNQELKSTVNRLJ-TXEJJXNPSA-N 1 0 330.501 3.630 50 0 EHAARO Cc1ccc(Cl)cc1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000021783245 212249187 /nfs/dbraw/zinc/24/91/87/212249187.db2.gz HHJOLGOCPYJUAF-UHFFFAOYSA-N 1 0 343.858 3.828 50 0 EHAARO Cc1ccccc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000021718087 212242980 /nfs/dbraw/zinc/24/29/80/212242980.db2.gz PSGIGVCXNBYKNX-UHFFFAOYSA-N 1 0 329.488 3.971 50 0 EHAARO COc1cc(F)c([C@H](C)[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)cc1OC ZINC000230219166 242254390 /nfs/dbraw/zinc/25/43/90/242254390.db2.gz VMTITDZYKZVXLJ-KRRMDGCSSA-N 1 0 325.424 3.553 50 0 EHAARO C[C@H]1CCC[N@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 ZINC000021323751 212220519 /nfs/dbraw/zinc/22/05/19/212220519.db2.gz WCTMPWUFFXBIIZ-AWEZNQCLSA-N 1 0 339.464 3.655 50 0 EHAARO Cc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000021175110 212214474 /nfs/dbraw/zinc/21/44/74/212214474.db2.gz ZZUOHPIDNFGXAD-UHFFFAOYSA-N 1 0 337.467 3.873 50 0 EHAARO COc1c[nH]c(C[N@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cc1=O ZINC000244574781 243041128 /nfs/dbraw/zinc/04/11/28/243041128.db2.gz CRIKRLPXKARYGE-HXUWFJFHSA-N 1 0 326.440 3.596 50 0 EHAARO CC(C)C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)n1cccc1 ZINC000253409677 243920850 /nfs/dbraw/zinc/92/08/50/243920850.db2.gz MFDNVVHRBFBNBY-XUVXKRRUSA-N 1 0 345.531 3.798 50 0 biogenic EHAARO Clc1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020118281 212103314 /nfs/dbraw/zinc/10/33/14/212103314.db2.gz YWSYBFFHBGZOLY-UHFFFAOYSA-N 1 0 330.859 3.537 50 0 EHAARO Fc1cccc(OC2CC[NH+](CCc3n[nH]c4ccccc43)CC2)c1 ZINC000019839648 212074218 /nfs/dbraw/zinc/07/42/18/212074218.db2.gz SYVGKMZISDSUAP-UHFFFAOYSA-N 1 0 339.414 3.788 50 0 EHAARO Brc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019787986 212066348 /nfs/dbraw/zinc/06/63/48/212066348.db2.gz BLJIAGGVJUXNOW-UHFFFAOYSA-N 1 0 337.305 3.899 50 0 EHAARO COc1cc2c(cc1OC)[C@H](c1ccccc1C(F)(F)F)[NH2+]CC2 ZINC000019726643 212058524 /nfs/dbraw/zinc/05/85/24/212058524.db2.gz NUQQDNSTBXJLQC-KRWDZBQOSA-N 1 0 337.341 3.958 50 0 EHAARO c1cn(-c2ccccc2C[NH2+]Cc2c[nH]nc2-c2ccccc2)cn1 ZINC000078612752 217087782 /nfs/dbraw/zinc/08/77/82/217087782.db2.gz GHLFBZRKBLVHDI-UHFFFAOYSA-N 1 0 329.407 3.552 50 0 EHAARO CCCC[N+]1=C2[C@H](OC(=O)c3ccccc3)CCN2Cc2ccccc21 ZINC000017145451 211956905 /nfs/dbraw/zinc/95/69/05/211956905.db2.gz FVXQCXZFFSVMEB-HXUWFJFHSA-N 1 0 349.454 3.974 50 0 biogenic EHAARO CC[C@@H]1CCc2sc(C(=O)NC3CC[NH+](C(C)C)CC3)cc2C1 ZINC000016602586 211917343 /nfs/dbraw/zinc/91/73/43/211917343.db2.gz DSSXMAATKCAIHF-CQSZACIVSA-N 1 0 334.529 3.866 50 0 EHAARO O=C(NCc1csc2ccccc12)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079437292 217224999 /nfs/dbraw/zinc/22/49/99/217224999.db2.gz LQFCPLHZMFFFOS-MRXNPFEDSA-N 1 0 343.496 3.671 50 0 EHAARO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCO[C@@]3(CCSC3)C1)CCC2 ZINC000110704245 220059611 /nfs/dbraw/zinc/05/96/11/220059611.db2.gz JYKOGVDIACCCQT-AHIWAGSCSA-N 1 0 338.542 3.727 50 0 EHAARO CC(C)[NH+]1CCC(N(C)c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000084597483 217619596 /nfs/dbraw/zinc/61/95/96/217619596.db2.gz KPRVVQJTSWXLQX-UHFFFAOYSA-N 1 0 344.528 3.879 50 0 EHAARO Cc1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000089616646 217818771 /nfs/dbraw/zinc/81/87/71/217818771.db2.gz FFPLMTFWZNKZJW-OAHLLOKOSA-N 1 0 335.879 3.844 50 0 EHAARO CC(C)[C@@H](CNc1ncnc2sc3c(c21)CCC3)[NH+]1CCCC1 ZINC000012747390 211444121 /nfs/dbraw/zinc/44/41/21/211444121.db2.gz ZKJKZVDJGUWHIR-CQSZACIVSA-N 1 0 330.501 3.712 50 0 EHAARO CC[NH+]1CCC(C(=O)N2CCC[C@H](CCc3ccccc3C)C2)CC1 ZINC000012442796 211383214 /nfs/dbraw/zinc/38/32/14/211383214.db2.gz OYJNPNQFSYSKKC-LJQANCHMSA-N 1 0 342.527 3.898 50 0 EHAARO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2)Cc2cc(OC)ccc2O1 ZINC000011881876 211264926 /nfs/dbraw/zinc/26/49/26/211264926.db2.gz JMQHXMCEZJSAOD-QGZVFWFLSA-N 1 0 327.424 3.877 50 0 EHAARO CCn1ccnc1[C@@H]1CCC[N@H+](CCCOc2cccc(OC)c2)C1 ZINC000091604751 218031794 /nfs/dbraw/zinc/03/17/94/218031794.db2.gz NCYIYUVYLSFLJB-QGZVFWFLSA-N 1 0 343.471 3.560 50 0 EHAARO O=C(c1ccoc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000011761762 211245483 /nfs/dbraw/zinc/24/54/83/211245483.db2.gz ADXVWSJCDSKMGV-HXUWFJFHSA-N 1 0 342.414 3.547 50 0 EHAARO Cc1cc(F)ccc1C[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091662940 218041924 /nfs/dbraw/zinc/04/19/24/218041924.db2.gz FPRFHZHZBPECDI-UHFFFAOYSA-N 1 0 330.447 3.501 50 0 EHAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)s1 ZINC000091934897 218091302 /nfs/dbraw/zinc/09/13/02/218091302.db2.gz QFEWWUYVMRBHLC-DLBZAZTESA-N 1 0 345.512 3.758 50 0 EHAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)o1 ZINC000091973861 218097117 /nfs/dbraw/zinc/09/71/17/218097117.db2.gz MFXFKQNNVHCNJB-UHFFFAOYSA-N 1 0 330.472 3.735 50 0 EHAARO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000010051823 211144362 /nfs/dbraw/zinc/14/43/62/211144362.db2.gz DVXFWBHSIFTDDJ-UPJWGTAASA-N 1 0 344.377 3.890 50 0 EHAARO CSc1ccccc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000009981503 211138244 /nfs/dbraw/zinc/13/82/44/211138244.db2.gz UCXJDOLWSUFPRG-UHFFFAOYSA-N 1 0 328.481 3.660 50 0 EHAARO Cc1c(C)n(C2CCCCC2)c2ncnc(NCCC[NH+](C)C)c12 ZINC000009485691 211089897 /nfs/dbraw/zinc/08/98/97/211089897.db2.gz BKBJMFOXUTVOCN-UHFFFAOYSA-N 1 0 329.492 3.917 50 0 EHAARO COc1cccc2ccc(N3CCC([C@@H](C)[NH+]4CCCC4)CC3)nc21 ZINC000095355734 218289235 /nfs/dbraw/zinc/28/92/35/218289235.db2.gz GVEITCLHZYVNIM-MRXNPFEDSA-N 1 0 339.483 3.944 50 0 EHAARO Cc1nc(C(C)C)sc1CNC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000095362785 218296031 /nfs/dbraw/zinc/29/60/31/218296031.db2.gz GIBCRTVMHKRILE-UHFFFAOYSA-N 1 0 337.533 3.702 50 0 EHAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC000095368348 218301755 /nfs/dbraw/zinc/30/17/55/218301755.db2.gz YIZKAEXAEHPZKG-INIZCTEOSA-N 1 0 333.863 3.702 50 0 EHAARO C[NH+](C)CCn1ccc2cc(NC(=O)N3Cc4ccccc4C3)ccc21 ZINC000095399554 218332895 /nfs/dbraw/zinc/33/28/95/218332895.db2.gz CPQMZEXTCBRYMD-UHFFFAOYSA-N 1 0 348.450 3.751 50 0 EHAARO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000095420401 218360506 /nfs/dbraw/zinc/36/05/06/218360506.db2.gz HDMGZWFQSHKTMK-AWEZNQCLSA-N 1 0 342.439 3.903 50 0 EHAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000095421466 218363389 /nfs/dbraw/zinc/36/33/89/218363389.db2.gz XSAHFWPULAEGHH-SFHVURJKSA-N 1 0 340.471 3.694 50 0 EHAARO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000095423424 218365802 /nfs/dbraw/zinc/36/58/02/218365802.db2.gz AONPUTBKMDPDHY-LSDHHAIUSA-N 1 0 349.521 3.922 50 0 EHAARO COc1cc(CNc2ccc(C)cc2C[NH+](C)C)cc(OC)c1OC ZINC000095429109 218372183 /nfs/dbraw/zinc/37/21/83/218372183.db2.gz WIZJTDKIXLCCLU-UHFFFAOYSA-N 1 0 344.455 3.695 50 0 EHAARO CC(C)[NH+](CCNC(=O)COc1ccc(Cl)cc1Cl)C(C)C ZINC000007800526 210849297 /nfs/dbraw/zinc/84/92/97/210849297.db2.gz DWULZVQUHJBGBU-UHFFFAOYSA-N 1 0 347.286 3.607 50 0 EHAARO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005049366 210374819 /nfs/dbraw/zinc/37/48/19/210374819.db2.gz KIBFEGUFVBIKGE-IFMALSPDSA-N 1 0 348.446 3.939 50 0 EHAARO Oc1ccc2cc(C[N@@H+]3CCCN(Cc4ccncc4)CC3)ccc2c1 ZINC000097602465 219040190 /nfs/dbraw/zinc/04/01/90/219040190.db2.gz RVZBFUGKIHWQAQ-UHFFFAOYSA-N 1 0 347.462 3.648 50 0 EHAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1[nH]c2c(cccc2F)c1C ZINC000426506837 257965612 /nfs/dbraw/zinc/96/56/12/257965612.db2.gz QJVRQOBUIYDRJL-UHFFFAOYSA-N 1 0 345.462 3.954 50 0 EHAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cc2)C1 ZINC000299740078 258010438 /nfs/dbraw/zinc/01/04/38/258010438.db2.gz VMXZXVHDVDMKLG-HOCLYGCPSA-N 1 0 342.414 3.817 50 0 EHAARO Cc1cc(CN(C)C(=O)c2cccc(C[NH+]3CCCCCC3)c2)on1 ZINC000299783569 258091366 /nfs/dbraw/zinc/09/13/66/258091366.db2.gz WSLLVFPWTLMVNR-UHFFFAOYSA-N 1 0 341.455 3.631 50 0 EHAARO Cc1nc(C)n(Cc2cccc(NCc3cn4cc(C)ccc4n3)c2)n1 ZINC000095414902 258066972 /nfs/dbraw/zinc/06/69/72/258066972.db2.gz JCVODDKJNBJBHU-UHFFFAOYSA-N 1 0 346.438 3.511 50 0 EHAARO Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)cn2)cc1C ZINC000216032469 258072293 /nfs/dbraw/zinc/07/22/93/258072293.db2.gz KTNOJYZHVOUALT-IBGZPJMESA-N 1 0 347.466 3.659 50 0 EHAARO Cc1ccccc1-c1cc2c(c(OC[C@H]3CCOC3)c1)OCC[NH2+]C2 ZINC000299757009 258074799 /nfs/dbraw/zinc/07/47/99/258074799.db2.gz GNEPHCJJYFFPCI-INIZCTEOSA-N 1 0 339.435 3.559 50 0 EHAARO CCn1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n1 ZINC000299756432 258074832 /nfs/dbraw/zinc/07/48/32/258074832.db2.gz IESCCGIQVOEYMI-JQHSSLGASA-N 1 0 349.438 3.646 50 0 EHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000299760423 258077498 /nfs/dbraw/zinc/07/74/98/258077498.db2.gz JXRZENHODHHWMY-QGZVFWFLSA-N 1 0 330.403 3.576 50 0 EHAARO COc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)c(C)c1C ZINC000002490702 135657501 /nfs/dbraw/zinc/65/75/01/135657501.db2.gz VRCGFECNSYGMCW-UHFFFAOYSA-N 1 0 340.467 3.643 50 0 EHAARO CC(C)c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000123731790 222325323 /nfs/dbraw/zinc/32/53/23/222325323.db2.gz MJFWOZWGOIXWDB-NVXWUHKLSA-N 1 0 341.455 3.581 50 0 EHAARO C[N@@H+]1CC[C@H](CNC(=O)C2=CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123758415 222328700 /nfs/dbraw/zinc/32/87/00/222328700.db2.gz FEUXQEVDVYPQJI-PBHICJAKSA-N 1 0 336.838 3.698 50 0 EHAARO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1NC(C)=O ZINC000129583812 533693051 /nfs/dbraw/zinc/69/30/51/533693051.db2.gz MVPUGKRPNYKDOT-UONOGXRCSA-N 1 0 344.377 3.864 50 0 EHAARO CC[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000225759576 535463193 /nfs/dbraw/zinc/46/31/93/535463193.db2.gz AGOJHLZNRXRQGA-JRGCBEDISA-N 1 0 336.479 3.817 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccsc1 ZINC000229158983 536134406 /nfs/dbraw/zinc/13/44/06/536134406.db2.gz UFPPUXBPGWKWRY-MRVWCRGKSA-N 1 0 348.434 3.836 50 0 EHAARO Brc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1 ZINC000007524903 563604651 /nfs/dbraw/zinc/60/46/51/563604651.db2.gz MHLOCMXDPZKWBC-CQSZACIVSA-N 1 0 336.229 3.978 50 0 EHAARO COc1cccc(C[NH2+]Cc2cccc(Br)c2)c1OC ZINC000000293108 563990277 /nfs/dbraw/zinc/99/02/77/563990277.db2.gz YZHQSNGCVGQQPF-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO CC(C)(C)c1cc(C(=O)CNC2=[NH+]CCC2)cc(C(C)(C)C)c1O ZINC000000245558 563265796 /nfs/dbraw/zinc/26/57/96/563265796.db2.gz HHSIWWKFOCGHQZ-UHFFFAOYSA-N 1 0 330.472 3.952 50 0 EHAARO C[NH+](C)CCC[C@H]1c2ccccc2-c2ccccc2CS1(=O)=O ZINC000000346300 563287658 /nfs/dbraw/zinc/28/76/58/563287658.db2.gz UPONXJGKVSUHOI-IBGZPJMESA-N 1 0 329.465 3.665 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3cccc(F)c3)c2)C1 ZINC000034670311 563445222 /nfs/dbraw/zinc/44/52/22/563445222.db2.gz BYSCMOKVXMUIQP-KRWDZBQOSA-N 1 0 342.414 3.663 50 0 EHAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000002734591 563447357 /nfs/dbraw/zinc/44/73/57/563447357.db2.gz WUQFXZOONVASPJ-LJQANCHMSA-N 1 0 340.442 3.696 50 0 EHAARO C[NH+](C)CCNC(=O)CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 ZINC000002849742 563455669 /nfs/dbraw/zinc/45/56/69/563455669.db2.gz KSZULVLHQDYTAK-OTXOEQGISA-N 1 0 340.511 3.593 50 0 EHAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCCOc2cccc(OCC)c2)C1 ZINC000006727416 563583208 /nfs/dbraw/zinc/58/32/08/563583208.db2.gz JNXCQSZQHFKSMO-QGZVFWFLSA-N 1 0 349.471 3.519 50 0 EHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3ccsc3)cc2)CC1 ZINC000071915343 563619106 /nfs/dbraw/zinc/61/91/06/563619106.db2.gz AYEFNRFWLVUQQY-UHFFFAOYSA-N 1 0 343.496 3.778 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000012139863 563654696 /nfs/dbraw/zinc/65/46/96/563654696.db2.gz OCWKRSVQUNLLTR-MBNYWOFBSA-N 1 0 332.271 3.711 50 0 EHAARO COc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2C)C1 ZINC000012589622 563664222 /nfs/dbraw/zinc/66/42/22/563664222.db2.gz OBKUKJBALNTCQC-QFIPXVFZSA-N 1 0 339.479 3.821 50 0 EHAARO CCOC(=O)C1(CCOC)CC[NH+]([C@@H]2CCCC(C)(C)C2)CC1 ZINC000012591370 563664262 /nfs/dbraw/zinc/66/42/62/563664262.db2.gz BTPLQPQCHZEWBG-MRXNPFEDSA-N 1 0 325.493 3.637 50 0 EHAARO O=C(c1cc(F)c(F)cc1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000013325954 563694925 /nfs/dbraw/zinc/69/49/25/563694925.db2.gz IGKCHVGQFQGYOV-UHFFFAOYSA-N 1 0 342.817 3.709 50 0 EHAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1C ZINC000013595552 563703249 /nfs/dbraw/zinc/70/32/49/563703249.db2.gz ITOLHAUUQSTUHF-QGZVFWFLSA-N 1 0 338.451 3.802 50 0 EHAARO O=C(Cc1ccccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013744725 563720246 /nfs/dbraw/zinc/72/02/46/563720246.db2.gz ODWSGOHOTGWABH-UHFFFAOYSA-N 1 0 342.870 3.663 50 0 EHAARO Cc1ccc2nc(C[N@@H+](C)[C@@H](C)c3cc4ccccc4o3)cc(=O)n2c1 ZINC000032754476 563728064 /nfs/dbraw/zinc/72/80/64/563728064.db2.gz VONDXKMESZYRJS-HNNXBMFYSA-N 1 0 347.418 3.942 50 0 EHAARO Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)s1 ZINC000014070478 563737810 /nfs/dbraw/zinc/73/78/10/563737810.db2.gz YPQWMQMNQOPDEJ-UHFFFAOYSA-N 1 0 328.481 3.891 50 0 EHAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)no1 ZINC000014139626 563744928 /nfs/dbraw/zinc/74/49/28/563744928.db2.gz KJVBPRRLSGOQOY-ZBEGNZNMSA-N 1 0 333.819 3.704 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](CCc3cccc(OC)c3)C2)cn1 ZINC000014960308 563768708 /nfs/dbraw/zinc/76/87/08/563768708.db2.gz IOSCWZWKKZLEOS-SFHVURJKSA-N 1 0 327.472 3.756 50 0 EHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CC(C)C ZINC000014977055 563769465 /nfs/dbraw/zinc/76/94/65/563769465.db2.gz YBXULXROXJVQHO-LJQANCHMSA-N 1 0 348.506 3.975 50 0 EHAARO Cc1ncc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3C)C2)s1 ZINC000015077672 563776848 /nfs/dbraw/zinc/77/68/48/563776848.db2.gz WCDWAPWNHWDSNF-IBGZPJMESA-N 1 0 330.497 3.577 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCCCC2)o1 ZINC000015860159 563796510 /nfs/dbraw/zinc/79/65/10/563796510.db2.gz LSMZMLDNMITJMZ-SFHVURJKSA-N 1 0 326.440 3.853 50 0 EHAARO C[NH+]1CCC(NC(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000016602872 563816324 /nfs/dbraw/zinc/81/63/24/563816324.db2.gz NUENLIGVEWOIFX-UHFFFAOYSA-N 1 0 326.824 3.518 50 0 EHAARO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000025397722 563884334 /nfs/dbraw/zinc/88/43/34/563884334.db2.gz YBSQZBQXABQWLN-GFCCVEGCSA-N 1 0 345.830 3.588 50 0 EHAARO Cc1nc2ccccc2nc1NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000026729572 563893122 /nfs/dbraw/zinc/89/31/22/563893122.db2.gz BDCZSUSFTFTRMJ-HNNXBMFYSA-N 1 0 332.451 3.797 50 0 EHAARO Cc1csc2nc(C[NH2+][C@@H](c3cccs3)C(C)C)cc(=O)n12 ZINC000029201740 563905228 /nfs/dbraw/zinc/90/52/28/563905228.db2.gz XRBIBQJGJPFAJT-OAHLLOKOSA-N 1 0 333.482 3.613 50 0 EHAARO c1ccc(OCc2cccnc2)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000030543998 563909943 /nfs/dbraw/zinc/90/99/43/563909943.db2.gz RKVYRYQXDBSFOP-UHFFFAOYSA-N 1 0 348.402 3.679 50 0 EHAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000030908494 563911806 /nfs/dbraw/zinc/91/18/06/563911806.db2.gz AAFWZSXNBWJVQJ-HXUWFJFHSA-N 1 0 348.450 3.561 50 0 EHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(OC)cc2OC)cc1 ZINC000004986644 563919029 /nfs/dbraw/zinc/91/90/29/563919029.db2.gz FYPPFUQKKVLZNH-OAHLLOKOSA-N 1 0 329.440 3.823 50 0 EHAARO Brc1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042776132 563925012 /nfs/dbraw/zinc/92/50/12/563925012.db2.gz FAEDAZTWZDNRBU-VIFPVBQESA-N 1 0 349.066 3.590 50 0 EHAARO Cc1cccc2c(=O)n(CC[N@@H+]3CCC[C@H](c4ccccc4)C3)cnc12 ZINC000043089120 563925235 /nfs/dbraw/zinc/92/52/35/563925235.db2.gz MVYHBXLVEOHAIX-IBGZPJMESA-N 1 0 347.462 3.585 50 0 EHAARO Cc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044940570 563928506 /nfs/dbraw/zinc/92/85/06/563928506.db2.gz ZPBNKPPZMQFDQY-UHFFFAOYSA-N 1 0 336.479 3.866 50 0 EHAARO C[N@H+](CCOC(=O)c1cccc(Br)c1)Cc1ccccc1 ZINC000045221500 563928977 /nfs/dbraw/zinc/92/89/77/563928977.db2.gz DAWXEOKGBGVZPE-UHFFFAOYSA-N 1 0 348.240 3.738 50 0 EHAARO O=c1cc(C[N@@H+]2CCC[C@H]2c2cccs2)nc2ccc(Cl)cn12 ZINC000058193784 563939482 /nfs/dbraw/zinc/93/94/82/563939482.db2.gz NQEGMFPCMAITKL-AWEZNQCLSA-N 1 0 345.855 3.747 50 0 EHAARO CC(C)([NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000058248930 563940840 /nfs/dbraw/zinc/94/08/40/563940840.db2.gz CLIRNJMSCLKZPF-UHFFFAOYSA-N 1 0 337.467 3.750 50 0 EHAARO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)c1 ZINC000058264230 563941053 /nfs/dbraw/zinc/94/10/53/563941053.db2.gz DBZXWEXIZSIXEP-CQSZACIVSA-N 1 0 345.439 3.962 50 0 EHAARO C[N@H+](CC(=O)N1CCc2ccccc2C1)Cc1cccc2ccccc21 ZINC000058344302 563943210 /nfs/dbraw/zinc/94/32/10/563943210.db2.gz HCTLKRDKTLYOKI-UHFFFAOYSA-N 1 0 344.458 3.857 50 0 EHAARO c1cnn(Cc2cccc(C[NH+]3CCC(c4ccncc4)CC3)c2)c1 ZINC000065394824 563959540 /nfs/dbraw/zinc/95/95/40/563959540.db2.gz MUSYVFNBSKMZLR-UHFFFAOYSA-N 1 0 332.451 3.706 50 0 EHAARO COC(=O)c1cc(C)nc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)n1 ZINC000065395253 563959652 /nfs/dbraw/zinc/95/96/52/563959652.db2.gz ILNXWGPDWBFZFR-HNNXBMFYSA-N 1 0 339.439 3.786 50 0 EHAARO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000065419709 563960609 /nfs/dbraw/zinc/96/06/09/563960609.db2.gz LVOJFDRTLOVGRY-AWEZNQCLSA-N 1 0 326.425 3.839 50 0 EHAARO CCN(Cc1ccccc1)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000065455825 563961056 /nfs/dbraw/zinc/96/10/56/563961056.db2.gz BSHLAEORTRDTCQ-HXUWFJFHSA-N 1 0 337.467 3.657 50 0 EHAARO CC(C)[C@@H]1CN(c2cc[nH+]c3ccccc32)CCC(=O)N1CC1CC1 ZINC000071775744 563965728 /nfs/dbraw/zinc/96/57/28/563965728.db2.gz RLLVKSLZBPZHTG-FQEVSTJZSA-N 1 0 337.467 3.708 50 0 EHAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2Cn2cccn2)o1 ZINC000097159489 563968352 /nfs/dbraw/zinc/96/83/52/563968352.db2.gz XLIARXMQEFBKOK-UHFFFAOYSA-N 1 0 347.422 3.513 50 0 EHAARO CCCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)o1 ZINC000077302481 563968892 /nfs/dbraw/zinc/96/88/92/563968892.db2.gz MZKVXLHTGHQQOJ-HXUWFJFHSA-N 1 0 330.472 3.599 50 0 EHAARO CCCc1ccc2oc(C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)c(C)c2c1 ZINC000077406671 563969405 /nfs/dbraw/zinc/96/94/05/563969405.db2.gz ASEOTUPLAFLAHL-INIZCTEOSA-N 1 0 328.456 3.860 50 0 EHAARO Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(F)c3)C[C@H]2[NH+](C)C)cc1 ZINC000095500896 563977058 /nfs/dbraw/zinc/97/70/58/563977058.db2.gz ZCRFLUKTZQTKQS-RBUKOAKNSA-N 1 0 341.430 3.696 50 0 EHAARO CC(=O)c1cccc(-c2ccc(NC(=O)N(C)CC[NH+](C)C)cc2)c1 ZINC000096138451 563979466 /nfs/dbraw/zinc/97/94/66/563979466.db2.gz MUSVPKNTLPLJAQ-UHFFFAOYSA-N 1 0 339.439 3.582 50 0 EHAARO O=C(Nc1cc(F)cc(Cl)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000096142327 563979518 /nfs/dbraw/zinc/97/95/18/563979518.db2.gz KLAHIAOSGJLLTA-UHFFFAOYSA-N 1 0 325.815 3.571 50 0 EHAARO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)cc1 ZINC000095459404 563983227 /nfs/dbraw/zinc/98/32/27/563983227.db2.gz QFWYQKOGBOGTPH-WFASDCNBSA-N 1 0 340.261 3.785 50 0 EHAARO C[NH+](C)CCn1c2ccccc2nc1NC(=O)c1ccc(Cl)cc1 ZINC000000241449 563989149 /nfs/dbraw/zinc/98/91/49/563989149.db2.gz RTXRYXVOIBDWFR-UHFFFAOYSA-N 1 0 342.830 3.504 50 0 EHAARO C[C@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1cccc(F)c1 ZINC000000262083 563989740 /nfs/dbraw/zinc/98/97/40/563989740.db2.gz WABOPVHKYITRFE-CQSZACIVSA-N 1 0 346.475 3.542 50 0 EHAARO C[NH+](C)C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Br)cc1 ZINC000005573621 564005722 /nfs/dbraw/zinc/00/57/22/564005722.db2.gz CCHWTPPGNSQTRC-HIFRSBDPSA-N 1 0 340.261 3.726 50 0 EHAARO Fc1ccc2c(CC[NH2+]C3CCN(c4nccs4)CC3)c[nH]c2c1 ZINC000272797350 564007473 /nfs/dbraw/zinc/00/74/73/564007473.db2.gz CZEUOPSRPMDCSH-UHFFFAOYSA-N 1 0 344.459 3.565 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc3ccccc3o2)C1 ZINC000047038542 564025667 /nfs/dbraw/zinc/02/56/67/564025667.db2.gz TZBIUDFZTDKMDE-HZPDHXFCSA-N 1 0 328.456 3.921 50 0 EHAARO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000108090517 564027694 /nfs/dbraw/zinc/02/76/94/564027694.db2.gz VDJAQVGANJUISD-JQWIXIFHSA-N 1 0 328.243 3.694 50 0 EHAARO c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000108369301 564028199 /nfs/dbraw/zinc/02/81/99/564028199.db2.gz UZIRZIOHCYDMEX-FPOVZHCZSA-N 1 0 338.451 3.662 50 0 EHAARO c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000108369305 564028213 /nfs/dbraw/zinc/02/82/13/564028213.db2.gz UZIRZIOHCYDMEX-PZJWPPBQSA-N 1 0 338.451 3.662 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000045830677 564028708 /nfs/dbraw/zinc/02/87/08/564028708.db2.gz VKOIJZWTXRPVDP-FQEVSTJZSA-N 1 0 341.499 3.727 50 0 EHAARO Cc1ccccc1OCC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000048263716 564030359 /nfs/dbraw/zinc/03/03/59/564030359.db2.gz ULWCVIKXEBUBFW-UHFFFAOYSA-N 1 0 332.488 3.536 50 0 EHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048273365 564030409 /nfs/dbraw/zinc/03/04/09/564030409.db2.gz QFYJXEAVNQUNHK-QKLQHJQFSA-N 1 0 344.499 3.727 50 0 EHAARO Cc1ccoc1C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048354723 564031347 /nfs/dbraw/zinc/03/13/47/564031347.db2.gz DMXVJSRNTNSUGZ-HOTGVXAUSA-N 1 0 340.467 3.996 50 0 EHAARO CCCC[N@@H+]1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000013387830 564042201 /nfs/dbraw/zinc/04/22/01/564042201.db2.gz ZHBVPXBHHSJIMN-IFMALSPDSA-N 1 0 337.463 3.879 50 0 EHAARO C[C@H]1CCN(C(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000225562231 564047821 /nfs/dbraw/zinc/04/78/21/564047821.db2.gz IGVONATZDIEUSU-BLLLJJGKSA-N 1 0 340.389 3.615 50 0 EHAARO Cc1ccncc1C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000241277736 564051927 /nfs/dbraw/zinc/05/19/27/564051927.db2.gz LISUTRPWCXXSGN-HNAYVOBHSA-N 1 0 347.865 3.965 50 0 EHAARO OC[C@H](NCc1ccc(Br)o1)c1ccc(Cl)c(F)c1 ZINC000241587950 564052024 /nfs/dbraw/zinc/05/20/24/564052024.db2.gz OYJLJOPDHVGZJA-LBPRGKRZSA-N 1 0 348.599 3.658 50 0 EHAARO Cc1nccn1-c1ccc(NC(=O)NCCCOC2CCCC2)cc1 ZINC000299769479 564060771 /nfs/dbraw/zinc/06/07/71/564060771.db2.gz PUZCEAPVFLCALS-UHFFFAOYSA-N 1 0 342.443 3.652 50 0 EHAARO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000083174476 564061708 /nfs/dbraw/zinc/06/17/08/564061708.db2.gz JNSKQDJITIPQKE-HOCLYGCPSA-N 1 0 341.430 3.615 50 0 EHAARO COc1cc(C)c(C[NH2+]C[C@H]2CCO[C@H]2c2ccccc2)cc1OC ZINC000083472304 564063278 /nfs/dbraw/zinc/06/32/78/564063278.db2.gz NDDNYOSNDRFBCE-UTKZUKDTSA-N 1 0 341.451 3.880 50 0 EHAARO CN1CCC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000083877861 564064155 /nfs/dbraw/zinc/06/41/55/564064155.db2.gz OSEDBLONOFBGNJ-HXUWFJFHSA-N 1 0 346.478 3.723 50 0 EHAARO CCOc1c(Cl)cc(C[NH2+]Cc2cccc3c[nH]nc32)cc1OC ZINC000084016093 564065802 /nfs/dbraw/zinc/06/58/02/564065802.db2.gz RYORGCVKGVYAID-UHFFFAOYSA-N 1 0 345.830 3.913 50 0 EHAARO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000064034261 564066445 /nfs/dbraw/zinc/06/64/45/564066445.db2.gz VIVJOJHMUNGFKP-FQEVSTJZSA-N 1 0 330.472 3.910 50 0 EHAARO C[C@@H](Sc1ccccn1)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000084098302 564066480 /nfs/dbraw/zinc/06/64/80/564066480.db2.gz FCKYZMMFHBZHTJ-OAHLLOKOSA-N 1 0 341.480 3.797 50 0 EHAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000084398266 564068067 /nfs/dbraw/zinc/06/80/67/564068067.db2.gz BLBSXZHLCYQPAC-INIZCTEOSA-N 1 0 328.435 3.523 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000012772067 564068985 /nfs/dbraw/zinc/06/89/85/564068985.db2.gz JXQZNBOLFRVMGY-MRXNPFEDSA-N 1 0 338.785 3.651 50 0 EHAARO CC1(C(=O)Nc2ncccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000190546552 564074731 /nfs/dbraw/zinc/07/47/31/564074731.db2.gz LQYFAUNFVDNRQL-UHFFFAOYSA-N 1 0 343.858 3.976 50 0 EHAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000104834568 564075025 /nfs/dbraw/zinc/07/50/25/564075025.db2.gz GEVHASPEKHFKMQ-UKRRQHHQSA-N 1 0 343.389 3.912 50 0 EHAARO Cc1ccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012852173 564075417 /nfs/dbraw/zinc/07/54/17/564075417.db2.gz KZVPEZLWJZECTH-UHFFFAOYSA-N 1 0 337.419 3.921 50 0 EHAARO C[C@H]([NH2+]C1CCSCC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000090605409 564084908 /nfs/dbraw/zinc/08/49/08/564084908.db2.gz KTZAIRKEMYJSLB-HNAYVOBHSA-N 1 0 335.513 3.797 50 0 EHAARO Cc1ccc2c(C[N@H+](C)CCOc3ccccc3F)cc(=O)oc2c1 ZINC000013019076 564086856 /nfs/dbraw/zinc/08/68/56/564086856.db2.gz FOROTNYLTWTPMM-UHFFFAOYSA-N 1 0 341.382 3.751 50 0 EHAARO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007385849 564087249 /nfs/dbraw/zinc/08/72/49/564087249.db2.gz RHLBIXDOXGTQLH-KRWDZBQOSA-N 1 0 328.500 3.779 50 0 EHAARO CCc1oc2ccccc2c1C[NH2+]C[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000089280229 564088771 /nfs/dbraw/zinc/08/87/71/564088771.db2.gz IYSIEEUKKNLITE-VLIAUNLRSA-N 1 0 339.439 3.596 50 0 EHAARO CCc1ccc(NC(=O)[C@@H](C)[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000006543300 564091896 /nfs/dbraw/zinc/09/18/96/564091896.db2.gz QUJGHSYPEYHLRX-OAHLLOKOSA-N 1 0 335.451 3.890 50 0 EHAARO C[C@@H](NC(=O)CN(C)CCOc1ccccc1)c1cccc(Cl)c1 ZINC000016695709 564093011 /nfs/dbraw/zinc/09/30/11/564093011.db2.gz MMBPTKJYOJFYOU-OAHLLOKOSA-N 1 0 346.858 3.528 50 0 EHAARO C[C@@H](c1cccc(-c2c(N3CCCC3)cn[nH]c2=O)c1)[NH+]1CCCC1 ZINC000426369151 564093494 /nfs/dbraw/zinc/09/34/94/564093494.db2.gz HTXYJXONHBSKOL-HNNXBMFYSA-N 1 0 338.455 3.606 50 0 EHAARO CCc1nc(N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)no1 ZINC000426399359 564093629 /nfs/dbraw/zinc/09/36/29/564093629.db2.gz FZPFFUOWWLYCLN-HXUWFJFHSA-N 1 0 346.519 3.895 50 0 EHAARO Cc1[nH]ccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000426599464 564094176 /nfs/dbraw/zinc/09/41/76/564094176.db2.gz BQDHXKRPLRPLAT-IBGZPJMESA-N 1 0 325.456 3.670 50 0 EHAARO Cc1ccsc1-c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000426697611 564094414 /nfs/dbraw/zinc/09/44/14/564094414.db2.gz XNRNGBYFXUKOBN-QGZVFWFLSA-N 1 0 328.481 3.890 50 0 EHAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=S)NC2CCCCC2)C1 ZINC000064894574 564097519 /nfs/dbraw/zinc/09/75/19/564097519.db2.gz ZIMFDRZGALDRAC-QAPCUYQASA-N 1 0 331.529 3.619 50 0 EHAARO CCCC[NH+](CCCC)C[C@H](O)COc1ccc(C(=O)CC)cc1 ZINC000006788462 564097817 /nfs/dbraw/zinc/09/78/17/564097817.db2.gz RRFQNYZJWNMIMR-SFHVURJKSA-N 1 0 335.488 3.921 50 0 EHAARO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000170048427 564105058 /nfs/dbraw/zinc/10/50/58/564105058.db2.gz PBYTXVZQHWVBSU-IAQYHMDHSA-N 1 0 341.282 3.659 50 0 EHAARO C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)C(c1ccccc1)c1ccccc1 ZINC000170057842 564105135 /nfs/dbraw/zinc/10/51/35/564105135.db2.gz GXQDNGGNNMQYFR-YLJYHZDGSA-N 1 0 348.490 3.713 50 0 EHAARO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000065593590 564108054 /nfs/dbraw/zinc/10/80/54/564108054.db2.gz PUBOHPBLRGTLKN-UHFFFAOYSA-N 1 0 333.382 3.738 50 0 EHAARO COc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000007447578 564108642 /nfs/dbraw/zinc/10/86/42/564108642.db2.gz KHXIGCSOXLQOBE-UHFFFAOYSA-N 1 0 338.451 3.611 50 0 EHAARO C[C@H]1CCO[C@H]([C@H]([N@@H+]2CCSC3(CCCCC3)C2)C(C)(C)O)C1 ZINC000170607457 564109653 /nfs/dbraw/zinc/10/96/53/564109653.db2.gz SSOPRBFADJMCSV-ULQDDVLXSA-N 1 0 341.561 3.693 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@@H]2CCCc3ccccc32)C2CC2)CC1 ZINC000071824331 564111313 /nfs/dbraw/zinc/11/13/13/564111313.db2.gz OGOAWCLAVFRRIA-HXUWFJFHSA-N 1 0 326.484 3.582 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1c[nH]c2ccccc12 ZINC000249697073 564111697 /nfs/dbraw/zinc/11/16/97/564111697.db2.gz UDLCVVUVZHRAIT-WOJBJXKFSA-N 1 0 339.483 3.576 50 0 EHAARO O=C(OC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1C[C@@H]1c1ccco1 ZINC000076090697 564115638 /nfs/dbraw/zinc/11/56/38/564115638.db2.gz NEMKGVDQXWCHIH-JKSUJKDBSA-N 1 0 331.437 3.652 50 0 EHAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000089949017 564115793 /nfs/dbraw/zinc/11/57/93/564115793.db2.gz VVNGPNRCPFAMIP-NQIIRXRSSA-N 1 0 344.499 3.745 50 0 EHAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000090220959 564116486 /nfs/dbraw/zinc/11/64/86/564116486.db2.gz WLDVIEUKEGFLBK-IPQOISQHSA-N 1 0 337.872 3.937 50 0 EHAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)c1ccccc1C(F)(F)F ZINC000237596989 564117776 /nfs/dbraw/zinc/11/77/76/564117776.db2.gz KYBTUTIUMIJNER-FRRDWIJNSA-N 1 0 328.378 3.537 50 0 EHAARO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000252452792 564118525 /nfs/dbraw/zinc/11/85/25/564118525.db2.gz DINOAOFUBPAGPQ-WMZOPIPTSA-N 1 0 345.464 3.528 50 0 EHAARO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000252484702 564119287 /nfs/dbraw/zinc/11/92/87/564119287.db2.gz GFBFBJFEKGPAHL-OAHLLOKOSA-N 1 0 337.529 3.634 50 0 EHAARO CC(C)C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccccn1 ZINC000252486368 564119369 /nfs/dbraw/zinc/11/93/69/564119369.db2.gz JKXPPPBNQXGMSF-PWRODBHTSA-N 1 0 345.531 3.526 50 0 EHAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(F)cc1F ZINC000252517381 564120294 /nfs/dbraw/zinc/12/02/94/564120294.db2.gz HFCJJLFLFOGFOY-OCBCSQNSSA-N 1 0 336.426 3.653 50 0 EHAARO CC(C)N(CC1CCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000194282379 564120486 /nfs/dbraw/zinc/12/04/86/564120486.db2.gz GDCCYQUIECAXIV-UHFFFAOYSA-N 1 0 344.503 3.518 50 0 EHAARO C[C@H](C[NH3+])CC(=O)NC1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000170677982 564121387 /nfs/dbraw/zinc/12/13/87/564121387.db2.gz MCIYUPZTIIOIPU-YGONEPDPSA-N 1 0 340.920 3.844 50 0 EHAARO Cc1ccc(C[NH2+]Cc2ccnc(O[C@@H]3CCOC3)c2)cc1Cl ZINC000195449071 564123502 /nfs/dbraw/zinc/12/35/02/564123502.db2.gz BQOPVJINPNDIKP-MRXNPFEDSA-N 1 0 332.831 3.501 50 0 EHAARO Fc1ccc([C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)cc1 ZINC000253370583 564130323 /nfs/dbraw/zinc/13/03/23/564130323.db2.gz SQDVGCZMAIJVAC-UFYCRDLUSA-N 1 0 325.431 3.527 50 0 EHAARO Cc1ncsc1CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000253417416 564130793 /nfs/dbraw/zinc/13/07/93/564130793.db2.gz DOVGSLIDZZVPFS-NSHDSACASA-N 1 0 344.406 3.616 50 0 EHAARO CC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000584895813 564131636 /nfs/dbraw/zinc/13/16/36/564131636.db2.gz KAEXIOXSEOJXAB-HXUWFJFHSA-N 1 0 337.467 3.589 50 0 EHAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000078896870 564137363 /nfs/dbraw/zinc/13/73/63/564137363.db2.gz IRIHEKVLUIMRJY-PEBVRCNWSA-N 1 0 338.854 3.777 50 0 EHAARO CS[C@H]1CC[C@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000078966720 564137460 /nfs/dbraw/zinc/13/74/60/564137460.db2.gz GYJNVQBBOJWAGX-KBPBESRZSA-N 1 0 346.496 3.851 50 0 EHAARO COCC[C@H](C)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000079072629 564137828 /nfs/dbraw/zinc/13/78/28/564137828.db2.gz GAOHGKRBPGVNKH-IBGZPJMESA-N 1 0 338.495 3.819 50 0 EHAARO COc1ccccc1N1CCC[C@H]([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000095422620 564140079 /nfs/dbraw/zinc/14/00/79/564140079.db2.gz BSMUVYXYMGJKDY-PBHICJAKSA-N 1 0 329.419 3.549 50 0 EHAARO CCS(=O)(=O)c1ccc(CNc2cc[nH+]c3ccccc23)cc1 ZINC000095464283 564140906 /nfs/dbraw/zinc/14/09/06/564140906.db2.gz OKSPBPUYYPTBKY-UHFFFAOYSA-N 1 0 326.421 3.641 50 0 EHAARO COC(=O)[C@@H]1CCCCC[C@H]1[NH2+]Cc1csc(-c2ccco2)n1 ZINC000095941453 564142038 /nfs/dbraw/zinc/14/20/38/564142038.db2.gz PDQMTQIEDIPERQ-ZIAGYGMSSA-N 1 0 334.441 3.615 50 0 EHAARO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(NC(=O)C4CC4)cc3)cn21 ZINC000095984459 564143828 /nfs/dbraw/zinc/14/38/28/564143828.db2.gz DBMYQWSBYONVOI-HNNXBMFYSA-N 1 0 348.450 3.842 50 0 EHAARO CCc1nc2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccc2o1 ZINC000096434973 564148023 /nfs/dbraw/zinc/14/80/23/564148023.db2.gz PMHKJNJPOVEOTD-GOOCMWNKSA-N 1 0 342.443 3.527 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)c1 ZINC000096476722 564148486 /nfs/dbraw/zinc/14/84/86/564148486.db2.gz FFEUDSJPNQSCKH-LJQANCHMSA-N 1 0 338.451 3.667 50 0 EHAARO O=C(Nc1cccs1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689731 564150318 /nfs/dbraw/zinc/15/03/18/564150318.db2.gz VQLAJWXCBOMFBE-UHFFFAOYSA-N 1 0 347.509 3.864 50 0 EHAARO Cc1ccc(C)c(NC(=S)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000002646429 564151817 /nfs/dbraw/zinc/15/18/17/564151817.db2.gz LAHWQRXEXXAMKI-SFHVURJKSA-N 1 0 327.497 3.893 50 0 EHAARO Cn1cccc1[C@@H]1CCC[N@@H+]1[C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000057369647 564153784 /nfs/dbraw/zinc/15/37/84/564153784.db2.gz AYWSYBGARSBCCX-PMACEKPBSA-N 1 0 337.467 3.526 50 0 EHAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(OC)c2)CC1 ZINC000003060170 564154810 /nfs/dbraw/zinc/15/48/10/564154810.db2.gz BCSDSNZEZWYDSX-CQSZACIVSA-N 1 0 335.517 3.587 50 0 EHAARO C[C@H](NC(=O)NC1CCCCC1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211496 564156026 /nfs/dbraw/zinc/15/60/26/564156026.db2.gz KSCYWXNRJYTFMU-YOEHRIQHSA-N 1 0 335.517 3.905 50 0 EHAARO Cc1cccc(CCNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000058162879 564157911 /nfs/dbraw/zinc/15/79/11/564157911.db2.gz POQUPALEGMXKRX-OALUTQOASA-N 1 0 345.531 3.595 50 0 EHAARO Cc1occc1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000031201401 564159135 /nfs/dbraw/zinc/15/91/35/564159135.db2.gz VAZOZLXRIVCJKD-UHFFFAOYSA-N 1 0 326.440 3.750 50 0 EHAARO Cc1nc(-c2ccc([C@H](C)[NH+]3CCCCC3)o2)n(CC(F)(F)F)n1 ZINC000670456932 564160402 /nfs/dbraw/zinc/16/04/02/564160402.db2.gz IQOZRTUTOLMKQM-NSHDSACASA-N 1 0 342.365 3.956 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O ZINC000008714044 564166652 /nfs/dbraw/zinc/16/66/52/564166652.db2.gz SSTJBMWXCJOAPU-OAHLLOKOSA-N 1 0 342.439 3.800 50 0 EHAARO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)c1 ZINC000008936602 564168037 /nfs/dbraw/zinc/16/80/37/564168037.db2.gz YVYJEMHPZJZUNJ-LLVKDONJSA-N 1 0 349.814 3.937 50 0 EHAARO O[C@@H](C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc(OC(F)F)cc1 ZINC000069617092 564170880 /nfs/dbraw/zinc/17/08/80/564170880.db2.gz FMZGXERDRMQOEO-AEFFLSMTSA-N 1 0 333.378 3.811 50 0 EHAARO Fc1cccc(-c2noc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000069630124 564171062 /nfs/dbraw/zinc/17/10/62/564171062.db2.gz NIXSRPIHELLZIW-HNNXBMFYSA-N 1 0 338.386 3.650 50 0 EHAARO CC(C)[N@@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000069708819 564171701 /nfs/dbraw/zinc/17/17/01/564171701.db2.gz HGDDEPBTCSDVEV-INIZCTEOSA-N 1 0 342.405 3.665 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000069772687 564172058 /nfs/dbraw/zinc/17/20/58/564172058.db2.gz BEXYYPXKGPNOHW-OALUTQOASA-N 1 0 349.478 3.935 50 0 EHAARO Cc1nn(CC(C)C)c(N(C)C)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000069773679 564172077 /nfs/dbraw/zinc/17/20/77/564172077.db2.gz LHLWNQVKSJFABC-UHFFFAOYSA-N 1 0 339.487 3.685 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)CCc2ccsc2)CC1 ZINC000069813779 564172314 /nfs/dbraw/zinc/17/23/14/564172314.db2.gz RPRBSCPOOIXKBV-UHFFFAOYSA-N 1 0 343.496 3.826 50 0 EHAARO CCOc1ccccc1NC(=O)C[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000069980360 564173094 /nfs/dbraw/zinc/17/30/94/564173094.db2.gz FDQQDUHCRARPND-LJQANCHMSA-N 1 0 341.455 3.714 50 0 EHAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000042209363 564174790 /nfs/dbraw/zinc/17/47/90/564174790.db2.gz DQIBUCZYCMSDAC-UHFFFAOYSA-N 1 0 334.463 3.844 50 0 EHAARO C[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccc3c(c2)-c2ccccc2C3)C1 ZINC000071846869 564175963 /nfs/dbraw/zinc/17/59/63/564175963.db2.gz DHHPTCWYCSUJNT-HXUWFJFHSA-N 1 0 348.490 3.791 50 0 EHAARO CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000071870647 564176167 /nfs/dbraw/zinc/17/61/67/564176167.db2.gz XBJMZECHDVUCDY-CYBMUJFWSA-N 1 0 335.810 3.715 50 0 EHAARO Cn1cc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c(-c2ccncc2)n1 ZINC000290095449 1017650642 /nfs/dbraw/zinc/65/06/42/1017650642.db2.gz HHGQQKPHKNAMCL-UHFFFAOYSA-N 1 0 348.450 3.655 50 0 EHAARO Cc1csc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000340538546 1024041617 /nfs/dbraw/zinc/04/16/17/1024041617.db2.gz UYZJDFGYAFSNCN-OAHLLOKOSA-N 1 0 343.496 3.928 50 0 EHAARO CCC[C@]1(COC)CCC[N@@H+]1Cc1nc(Cc2ccccc2C)no1 ZINC000194945796 1035228647 /nfs/dbraw/zinc/22/86/47/1035228647.db2.gz MSNVXGFDZXBOGH-HXUWFJFHSA-N 1 0 343.471 3.750 50 0 EHAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc3ccccn3c2)CC1 ZINC000116066063 1038027530 /nfs/dbraw/zinc/02/75/30/1038027530.db2.gz WQDNFZYLXNASHD-QGZVFWFLSA-N 1 0 347.462 3.895 50 0 EHAARO CCn1nc([C@@H]2CCCN2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675010696 1039829326 /nfs/dbraw/zinc/82/93/26/1039829326.db2.gz ITJPFEYAAXBYBT-SFHVURJKSA-N 1 0 345.874 3.966 50 0 EHAARO CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171440248 1040389522 /nfs/dbraw/zinc/38/95/22/1040389522.db2.gz KVZZTUSDCDYHLN-IBGZPJMESA-N 1 0 349.478 3.765 50 0 EHAARO COCc1csc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000888102259 1043290608 /nfs/dbraw/zinc/29/06/08/1043290608.db2.gz IQAFXXUCNKPJME-UHFFFAOYSA-N 1 0 335.473 3.781 50 0 EHAARO CC(C)[NH2+]C1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000072606033 1126795383 /nfs/dbraw/zinc/79/53/83/1126795383.db2.gz NYHWNPUDPVUEKR-UHFFFAOYSA-N 1 0 333.863 3.957 50 0 EHAARO CC[NH+](CC)[C@@H](CNc1nnc(-c2ccccn2)s1)c1ccco1 ZINC000185549842 1126935124 /nfs/dbraw/zinc/93/51/24/1126935124.db2.gz JTGBVUQKRBJFRL-AWEZNQCLSA-N 1 0 343.456 3.688 50 0 EHAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)C1 ZINC000269104252 1127459170 /nfs/dbraw/zinc/45/91/70/1127459170.db2.gz HZVSJVGSPOFGMP-UELRPHRMSA-N 1 0 340.389 3.567 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1ccc2c(c1)COC2 ZINC000358234492 1129047054 /nfs/dbraw/zinc/04/70/54/1129047054.db2.gz GEAMOTRMUQLBDF-OAHLLOKOSA-N 1 0 333.435 3.968 50 0 EHAARO Clc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cnn2ccccc12 ZINC000180970228 1124470761 /nfs/dbraw/zinc/47/07/61/1124470761.db2.gz IDASYRDYZPVDAK-MRXNPFEDSA-N 1 0 327.815 3.991 50 0 EHAARO Cc1nc(C)c(CC(=O)Nc2ccccc2C[NH+]2CCCCC2)s1 ZINC000827861280 1131410152 /nfs/dbraw/zinc/41/01/52/1131410152.db2.gz AWNKAESRRPAPNE-UHFFFAOYSA-N 1 0 343.496 3.927 50 0 EHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)CC2CCCC2)CC1 ZINC000012469581 1129994024 /nfs/dbraw/zinc/99/40/24/1129994024.db2.gz BVWHLDRCSBWCGG-UHFFFAOYSA-N 1 0 342.527 3.980 50 0 EHAARO COc1cc(F)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC000824557996 1131212116 /nfs/dbraw/zinc/21/21/16/1131212116.db2.gz WHVJMONRUUMNFO-UHFFFAOYSA-N 1 0 346.377 3.822 50 0 EHAARO OCc1cccc(C[NH2+]C2CCN(c3ccccc3Cl)CC2)c1 ZINC000828827627 1131445077 /nfs/dbraw/zinc/44/50/77/1131445077.db2.gz UPRWUTBLFBLMQQ-UHFFFAOYSA-N 1 0 330.859 3.591 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@@H](n3c(C)cnc3C3CC3)C2)c1 ZINC000575544687 1131568578 /nfs/dbraw/zinc/56/85/78/1131568578.db2.gz ALRGZUHYOINNKC-GOSISDBHSA-N 1 0 325.456 3.915 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)NCc2ccccc2)CC1 ZINC000581787950 1132356234 /nfs/dbraw/zinc/35/62/34/1132356234.db2.gz LEGZHBGHPHROLL-HXUWFJFHSA-N 1 0 343.515 3.873 50 0 EHAARO COc1cccc(C[N@@H+]2CC[C@H](n3c(C)cnc3-c3ccccc3)C2)n1 ZINC000581808365 1132371596 /nfs/dbraw/zinc/37/15/96/1132371596.db2.gz SGOAFLSRDBMWIR-IBGZPJMESA-N 1 0 348.450 3.709 50 0 EHAARO Cc1c[nH+]c(CC2CCN(C(=O)c3cccs3)CC2)n1CC1CC1 ZINC000581816748 1132374365 /nfs/dbraw/zinc/37/43/65/1132374365.db2.gz NOYOBXGDZCOZFB-UHFFFAOYSA-N 1 0 343.496 3.758 50 0 EHAARO CCC(=O)N1CCC(Cc2[nH+]cc(C)n2Cc2ccc(F)cc2)CC1 ZINC000581816958 1132374452 /nfs/dbraw/zinc/37/44/52/1132374452.db2.gz UJSXKGQAVZKZKW-UHFFFAOYSA-N 1 0 343.446 3.570 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000581814160 1132376732 /nfs/dbraw/zinc/37/67/32/1132376732.db2.gz XXAGEVFKFIYUCY-KRWDZBQOSA-N 1 0 329.488 3.888 50 0 EHAARO CC[N@H+](C)Cc1ccc(-c2nc(C(F)(F)F)c(C)c(=O)[nH]2)cc1 ZINC000048441698 1135586670 /nfs/dbraw/zinc/58/66/70/1135586670.db2.gz NVWHFGLSRRCTFO-UHFFFAOYSA-N 1 0 325.334 3.628 50 0 EHAARO CSC1(c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000585120314 1137012276 /nfs/dbraw/zinc/01/22/76/1137012276.db2.gz HFOFJUCEAHSKQF-OAHLLOKOSA-N 1 0 329.469 3.801 50 0 EHAARO COc1cccc2c1CC[C@@H]([NH2+]Cc1ccn(C3CCCC3)n1)C2 ZINC000192445887 1137455758 /nfs/dbraw/zinc/45/57/58/1137455758.db2.gz UHDXMPLCSFLLGK-MRXNPFEDSA-N 1 0 325.456 3.654 50 0 EHAARO Cc1nnc(SCC[NH2+]Cc2ccc([C@@H]3CCCCO3)o2)s1 ZINC000952868887 1137482964 /nfs/dbraw/zinc/48/29/64/1137482964.db2.gz IPTMWGAUDFFRMX-ZDUSSCGKSA-N 1 0 339.486 3.563 50 0 EHAARO CC[C@H](C)Oc1cccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000952869058 1137483023 /nfs/dbraw/zinc/48/30/23/1137483023.db2.gz HHZMMGSAOGOIIJ-ZDUSSCGKSA-N 1 0 325.412 3.736 50 0 EHAARO Cc1cccc(N2CCC([NH2+]CC(C)(C)N3CCCCC3)CC2)c1 ZINC000952990010 1137485748 /nfs/dbraw/zinc/48/57/48/1137485748.db2.gz JNDTUVHAWWMRDF-UHFFFAOYSA-N 1 0 329.532 3.818 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C1 ZINC000004744305 210267511 /nfs/dbraw/zinc/26/75/11/210267511.db2.gz FNBMJZIPZAPMMH-GJZGRUSLSA-N 1 0 334.891 3.923 50 0 EHAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCc3ccccc32)cc1 ZINC000054001310 214210106 /nfs/dbraw/zinc/21/01/06/214210106.db2.gz IWNLGLUEDPLZFD-UHFFFAOYSA-N 1 0 337.467 3.801 50 0 EHAARO CC[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000097713679 219050539 /nfs/dbraw/zinc/05/05/39/219050539.db2.gz IYMKUHQLXYVTSR-IBGZPJMESA-N 1 0 325.456 3.533 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055074539 214269866 /nfs/dbraw/zinc/26/98/66/214269866.db2.gz MTGXSQRVWMLQKQ-CQSZACIVSA-N 1 0 344.402 3.935 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1ccc(-n2cccn2)cc1 ZINC000055183300 214285618 /nfs/dbraw/zinc/28/56/18/214285618.db2.gz QTTSYZYVECSWSE-GOSISDBHSA-N 1 0 341.480 3.707 50 0 EHAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cc(-c3cccnc3)no2)cc1 ZINC000055211882 214289838 /nfs/dbraw/zinc/28/98/38/214289838.db2.gz RWAKTTMFMWIQDR-UHFFFAOYSA-N 1 0 349.369 3.556 50 0 EHAARO CN(C)c1nc(Cl)c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000097819512 219058505 /nfs/dbraw/zinc/05/85/05/219058505.db2.gz UNMFCMPJKDGLHW-GFCCVEGCSA-N 1 0 339.867 3.991 50 0 EHAARO C[C@H](c1cccc(F)c1)[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000056495051 214377320 /nfs/dbraw/zinc/37/73/20/214377320.db2.gz YRCDCWSUYMFXBJ-MRXNPFEDSA-N 1 0 332.463 3.857 50 0 EHAARO CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000004674737 210242513 /nfs/dbraw/zinc/24/25/13/210242513.db2.gz SBUCMZKXMXPHQK-XNTDXEJSSA-N 1 0 327.409 3.545 50 0 EHAARO Cc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000058268060 214522726 /nfs/dbraw/zinc/52/27/26/214522726.db2.gz MCAGEJAPICGRJN-UHFFFAOYSA-N 1 0 326.440 3.832 50 0 EHAARO CC(C)n1c(=O)c2ccccc2nc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000049710918 214028663 /nfs/dbraw/zinc/02/86/63/214028663.db2.gz XOVRBEZXJRCPCF-HNNXBMFYSA-N 1 0 345.512 3.944 50 0 EHAARO C[C@@H](CNC(=O)CCc1cccc(Cl)c1Cl)[NH+]1CCCC1 ZINC000048128154 213890205 /nfs/dbraw/zinc/89/02/05/213890205.db2.gz NNIDEFXGNOYEAD-LBPRGKRZSA-N 1 0 329.271 3.527 50 0 EHAARO Clc1ccc(OCCOCC[NH+]2CCCC2)c(Br)c1 ZINC000003460877 210046047 /nfs/dbraw/zinc/04/60/47/210046047.db2.gz CEJQMXHFGHXCOJ-UHFFFAOYSA-N 1 0 348.668 3.594 50 0 EHAARO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCc3ccccc32)o1 ZINC000044623530 213637591 /nfs/dbraw/zinc/63/75/91/213637591.db2.gz HHYCRXHPZOQFMO-KRWDZBQOSA-N 1 0 340.467 3.971 50 0 EHAARO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000067559249 215162684 /nfs/dbraw/zinc/16/26/84/215162684.db2.gz TUQIBHIHSGGTIV-HNNXBMFYSA-N 1 0 325.412 3.552 50 0 EHAARO Cc1nnc(-c2cccc(-c3cc4c(c(F)c3)O[C@H](C[NH3+])C4)c2)s1 ZINC000067603644 215167850 /nfs/dbraw/zinc/16/78/50/215167850.db2.gz OMRDROZLJRSWCU-HNNXBMFYSA-N 1 0 341.411 3.582 50 0 EHAARO Cc1cc(C[NH+]2CCCC2)cc(C)c1Oc1cncc(CN(C)C)n1 ZINC000067789009 215214208 /nfs/dbraw/zinc/21/42/08/215214208.db2.gz FYWRBWVBQFSTHV-UHFFFAOYSA-N 1 0 340.471 3.543 50 0 EHAARO C[C@H](O)C[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000002881689 209936221 /nfs/dbraw/zinc/93/62/21/209936221.db2.gz CDPJFWMMHCZUGY-KRWDZBQOSA-N 1 0 327.468 3.752 50 0 EHAARO O=C(NC[C@@H]1CCC[NH2+]C1)OCC1c2ccccc2-c2ccccc21 ZINC000002585704 209871337 /nfs/dbraw/zinc/87/13/37/209871337.db2.gz WZHGXXJVKXQRNU-OAHLLOKOSA-N 1 0 336.435 3.525 50 0 EHAARO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000104118592 219347953 /nfs/dbraw/zinc/34/79/53/219347953.db2.gz UBWQYEJYEDQQDU-ONFKWDQZSA-N 1 0 349.478 3.606 50 0 EHAARO CCCC[C@@H]1C[N@H+](CCC(=O)N[C@H](C)CC)Cc2ccccc2O1 ZINC000104359326 219378821 /nfs/dbraw/zinc/37/88/21/219378821.db2.gz MPTABDQFUILGFO-SJLPKXTDSA-N 1 0 332.488 3.745 50 0 EHAARO C[C@H](SCc1ccccc1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000040141906 213272535 /nfs/dbraw/zinc/27/25/35/213272535.db2.gz YSXYSFVUGHAGII-YOEHRIQHSA-N 1 0 348.537 3.789 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3cccs3)CC2)o1 ZINC000040139472 213270868 /nfs/dbraw/zinc/27/08/68/213270868.db2.gz MTFNOOQGGGQVHA-HNNXBMFYSA-N 1 0 347.484 3.628 50 0 EHAARO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102518 213067625 /nfs/dbraw/zinc/06/76/25/213067625.db2.gz COHZJOCDAYHJNO-OAQYLSRUSA-N 1 0 345.458 3.861 50 0 EHAARO Cc1ccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C2CC2)cc1 ZINC000036101858 213066960 /nfs/dbraw/zinc/06/69/60/213066960.db2.gz ATQUHNJEYULNQH-OAQYLSRUSA-N 1 0 325.452 3.537 50 0 EHAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2)cc1 ZINC000036094926 213063950 /nfs/dbraw/zinc/06/39/50/213063950.db2.gz QPVYCYPGIACDSH-FQEVSTJZSA-N 1 0 327.468 3.893 50 0 EHAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2)o1 ZINC000036031160 213056844 /nfs/dbraw/zinc/05/68/44/213056844.db2.gz QFBFTFLPMYZJMQ-SFHVURJKSA-N 1 0 331.456 3.876 50 0 EHAARO Cc1nccnc1[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000187870082 236322238 /nfs/dbraw/zinc/32/22/38/236322238.db2.gz XZRALEUPZDEYTE-HNNXBMFYSA-N 1 0 345.874 3.837 50 0 EHAARO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000072137189 216024724 /nfs/dbraw/zinc/02/47/24/216024724.db2.gz ROARYECCFRWSLV-HNNXBMFYSA-N 1 0 338.442 3.524 50 0 EHAARO CC[C@@H]1CN(Cc2cc(Cl)c(OC)cc2OC)CC[N@@H+]1C(C)C ZINC000072149354 216037272 /nfs/dbraw/zinc/03/72/72/216037272.db2.gz QTZVNEJTGUPMCP-OAHLLOKOSA-N 1 0 340.895 3.662 50 0 EHAARO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000072150127 216037786 /nfs/dbraw/zinc/03/77/86/216037786.db2.gz JRGFXKDCMMMIAA-BHDDXSALSA-N 1 0 336.479 3.959 50 0 EHAARO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)c1 ZINC000072154036 216044238 /nfs/dbraw/zinc/04/42/38/216044238.db2.gz LUSFVAIUDDLUNV-LJQANCHMSA-N 1 0 325.408 3.819 50 0 EHAARO Cc1ccccc1C[N@@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072155966 216046027 /nfs/dbraw/zinc/04/60/27/216046027.db2.gz GVQJRDJXPBWYLD-YTFSRNRJSA-N 1 0 348.490 3.763 50 0 EHAARO COc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)cc1=O ZINC000072165585 216054393 /nfs/dbraw/zinc/05/43/93/216054393.db2.gz FGQRADUSWQMHNK-OAHLLOKOSA-N 1 0 344.430 3.780 50 0 EHAARO Fc1cc(CN2CCC[N@H+](Cc3cccnc3)CC2)ccc1Cl ZINC000072169271 216060502 /nfs/dbraw/zinc/06/05/02/216060502.db2.gz KNPKTJYVPJBVAI-UHFFFAOYSA-N 1 0 333.838 3.582 50 0 EHAARO CCn1nc(C)c(C[NH+]2CCN(c3ccc4ccccc4c3)CC2)c1C ZINC000072169167 216061311 /nfs/dbraw/zinc/06/13/11/216061311.db2.gz RGVABJHPBAGCDR-UHFFFAOYSA-N 1 0 348.494 3.995 50 0 EHAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3ccn(C)c3c2)C1 ZINC000072303974 216142066 /nfs/dbraw/zinc/14/20/66/216142066.db2.gz JZURJAOIBNOFEI-OAHLLOKOSA-N 1 0 342.487 3.810 50 0 EHAARO CCCc1ncc(C[N@@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000072435884 216231318 /nfs/dbraw/zinc/23/13/18/216231318.db2.gz HTHYNLBMMHGXGM-INIZCTEOSA-N 1 0 343.446 3.859 50 0 EHAARO O[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000072477516 216255397 /nfs/dbraw/zinc/25/53/97/216255397.db2.gz MIGQTEMWLGTQQF-JOCHJYFZSA-N 1 0 334.463 3.984 50 0 EHAARO CCCn1cnc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3C(C)C)s2)n1 ZINC000023619343 212386288 /nfs/dbraw/zinc/38/62/88/212386288.db2.gz GYLAYTBFHCJJNM-ZDUSSCGKSA-N 1 0 347.488 3.547 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccc2ccccc21)c1cccs1 ZINC000023105578 212347869 /nfs/dbraw/zinc/34/78/69/212347869.db2.gz BOGORQGVPAAQFP-SFHVURJKSA-N 1 0 338.476 3.863 50 0 EHAARO CCc1ccc(OC[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000022405287 212295947 /nfs/dbraw/zinc/29/59/47/212295947.db2.gz HBKJSUGNEQQQMA-SFHVURJKSA-N 1 0 327.424 3.532 50 0 EHAARO Cc1ccc(/C=C/C(=O)NCC2([NH+]3CCCCC3)CCCCC2)o1 ZINC000022414115 212295616 /nfs/dbraw/zinc/29/56/16/212295616.db2.gz AIKCDFMEJCCKGG-ZHACJKMWSA-N 1 0 330.472 3.906 50 0 EHAARO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 ZINC000194961047 240783924 /nfs/dbraw/zinc/78/39/24/240783924.db2.gz VEXKQRSQEWGHCT-ZUOKHONESA-N 1 0 342.414 3.675 50 0 EHAARO CSC1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCOCC1 ZINC000195557716 241007252 /nfs/dbraw/zinc/00/72/52/241007252.db2.gz UDWOOAJEUJVMNQ-OAHLLOKOSA-N 1 0 325.449 3.541 50 0 EHAARO CSc1cccc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)c1 ZINC000215327459 241120958 /nfs/dbraw/zinc/12/09/58/241120958.db2.gz NWIPCQZJKQZLME-SFHVURJKSA-N 1 0 328.481 3.985 50 0 EHAARO Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CCCO3)CC2)c1 ZINC000214981752 241100012 /nfs/dbraw/zinc/10/00/12/241100012.db2.gz NZTTZAOYJMQDCP-LJQANCHMSA-N 1 0 329.419 3.751 50 0 EHAARO C[N@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1ccc2nonc2c1 ZINC000216170993 241169794 /nfs/dbraw/zinc/16/97/94/241169794.db2.gz VPSZXRJPCKWWCZ-MRXNPFEDSA-N 1 0 329.425 3.768 50 0 EHAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2ccccc2Cn2cccn2)c1 ZINC000216256158 241177034 /nfs/dbraw/zinc/17/70/34/241177034.db2.gz HUKUXTJAOZEVEH-OAQYLSRUSA-N 1 0 349.482 3.573 50 0 EHAARO CCOC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nc3ccccc3n2C)o1 ZINC000215414277 241126094 /nfs/dbraw/zinc/12/60/94/241126094.db2.gz YVNDAHHRLHXVKM-HNNXBMFYSA-N 1 0 339.439 3.834 50 0 EHAARO CC(C)Oc1c(Cl)cc(CN(C)[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000219315169 241380766 /nfs/dbraw/zinc/38/07/66/241380766.db2.gz JOONLDPZOSSDFE-ZDUSSCGKSA-N 1 0 331.287 3.917 50 0 EHAARO Cc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000021175104 212213938 /nfs/dbraw/zinc/21/39/38/212213938.db2.gz SXUUKXKOSLKCHB-UHFFFAOYSA-N 1 0 337.467 3.873 50 0 EHAARO Cc1cc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)nc(N(C)C)n1 ZINC000241815955 243003997 /nfs/dbraw/zinc/00/39/97/243003997.db2.gz SEKMGBRWZCVKBR-OAQYLSRUSA-N 1 0 346.478 3.925 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000243932673 243034536 /nfs/dbraw/zinc/03/45/36/243034536.db2.gz BXRGWAUSBQCCPM-CQSZACIVSA-N 1 0 344.890 3.789 50 0 EHAARO CCC(C)(C)[NH2+]CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000020681602 212161890 /nfs/dbraw/zinc/16/18/90/212161890.db2.gz WQWVNZAXYDWZOR-UHFFFAOYSA-N 1 0 334.847 3.994 50 0 EHAARO Cc1ccccc1CN1CC[N@@H+](C2CCCCCC2)C[C@@H]1CCO ZINC000020205094 212111193 /nfs/dbraw/zinc/11/11/93/212111193.db2.gz NUCZWUZBBUVJOV-NRFANRHFSA-N 1 0 330.516 3.586 50 0 EHAARO CSCCC[NH+]1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000020231861 212113824 /nfs/dbraw/zinc/11/38/24/212113824.db2.gz RJUVPEXGJMIYAN-UHFFFAOYSA-N 1 0 327.921 3.710 50 0 EHAARO Cc1ccccc1-c1c[nH]nc1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077287699 216865262 /nfs/dbraw/zinc/86/52/62/216865262.db2.gz KWBIOVMELDUGSM-INIZCTEOSA-N 1 0 325.456 3.601 50 0 EHAARO CCOc1c(Cl)cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000019871845 212077538 /nfs/dbraw/zinc/07/75/38/212077538.db2.gz XSOXWLLLSNOJGJ-UGSOOPFHSA-N 1 0 349.858 3.959 50 0 EHAARO CCOc1cc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)ccc1OC ZINC000019789308 212066462 /nfs/dbraw/zinc/06/64/62/212066462.db2.gz QLXLBFIIBKDILA-SFHVURJKSA-N 1 0 344.499 3.568 50 0 EHAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)c(OC)c1OC ZINC000019552879 212041421 /nfs/dbraw/zinc/04/14/21/212041421.db2.gz JEEPBTWHGGAFCL-UHFFFAOYSA-N 1 0 335.831 3.698 50 0 EHAARO Brc1cccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000019361702 212021772 /nfs/dbraw/zinc/02/17/72/212021772.db2.gz IXBNXMFMQRXNFB-INIZCTEOSA-N 1 0 349.316 3.923 50 0 EHAARO COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)[NH2+]CC2 ZINC000019228466 212007306 /nfs/dbraw/zinc/00/73/06/212007306.db2.gz AFGIYTBFSNPSMM-KRWDZBQOSA-N 1 0 348.240 3.701 50 0 EHAARO CCOc1ccccc1-c1nc(C[N@H+](CCOC)C(C)C)c(C)o1 ZINC000012457920 211389267 /nfs/dbraw/zinc/38/92/67/211389267.db2.gz AUVSDSYTDCADBQ-UHFFFAOYSA-N 1 0 332.444 3.906 50 0 EHAARO CCc1ccc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)o1 ZINC000012443293 211384262 /nfs/dbraw/zinc/38/42/62/211384262.db2.gz PMTYSULUHUXQOV-UHFFFAOYSA-N 1 0 343.467 3.886 50 0 EHAARO CC(C)c1ccccc1OCCOC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000012377669 211360527 /nfs/dbraw/zinc/36/05/27/211360527.db2.gz YXDQQRCSNQVCON-GBESFXJTSA-N 1 0 349.515 3.829 50 0 EHAARO CCC(=O)NC[C@H](C)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012332846 211349932 /nfs/dbraw/zinc/34/99/32/211349932.db2.gz AHNHHVWKJODVRR-HNNXBMFYSA-N 1 0 346.496 3.674 50 0 EHAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1C ZINC000012308497 211341575 /nfs/dbraw/zinc/34/15/75/211341575.db2.gz QYYQDOQWLOYMQP-SFHVURJKSA-N 1 0 338.451 3.802 50 0 EHAARO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000012300170 211336790 /nfs/dbraw/zinc/33/67/90/211336790.db2.gz OEAXJKOGBOSWQW-LBPRGKRZSA-N 1 0 325.424 3.755 50 0 EHAARO CN(C(=O)c1ccsc1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012094210 211289693 /nfs/dbraw/zinc/28/96/93/211289693.db2.gz HYZCHUGNAROATJ-IBGZPJMESA-N 1 0 342.508 3.917 50 0 EHAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000012057835 211285044 /nfs/dbraw/zinc/28/50/44/211285044.db2.gz UUBFVUILLYKUNN-UHFFFAOYSA-N 1 0 348.446 3.911 50 0 EHAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@H+](CCCn2cccn2)C1 ZINC000011842843 211256639 /nfs/dbraw/zinc/25/66/39/211256639.db2.gz KUPFVRFPCGJAIL-INIZCTEOSA-N 1 0 331.847 3.522 50 0 EHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH+]1CCCCC1)C3 ZINC000011787879 211248123 /nfs/dbraw/zinc/24/81/23/211248123.db2.gz MGJIWRSMSPPMGN-CQSZACIVSA-N 1 0 345.512 3.601 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2[nH]c3c(cc(C)cc3C)c2C)C1 ZINC000091650515 218040159 /nfs/dbraw/zinc/04/01/59/218040159.db2.gz SMPRYHLFONWIOO-MRXNPFEDSA-N 1 0 327.472 3.649 50 0 EHAARO c1nn(-c2ccccn2)c2c1[C@@H]([NH2+]CCCc1ccccc1)CCC2 ZINC000011665172 211231048 /nfs/dbraw/zinc/23/10/48/211231048.db2.gz QVRXOFLEYGYXTJ-IBGZPJMESA-N 1 0 332.451 3.867 50 0 EHAARO O=C(c1ccc2occc2c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091779096 218064226 /nfs/dbraw/zinc/06/42/26/218064226.db2.gz AMMCTTLCGGHFPY-SFHVURJKSA-N 1 0 326.440 3.913 50 0 EHAARO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](Cc1ccc(Cl)s1)C2 ZINC000092076997 218115476 /nfs/dbraw/zinc/11/54/76/218115476.db2.gz BNKAFTCORKNLEI-KRWDZBQOSA-N 1 0 338.904 3.626 50 0 EHAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(Cc3cscn3)CC2)C1 ZINC000092081313 218117704 /nfs/dbraw/zinc/11/77/04/218117704.db2.gz XSOOLSQOCWPWHD-GOSISDBHSA-N 1 0 341.524 3.845 50 0 EHAARO CC[C@]1(CO)CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000092097495 218118470 /nfs/dbraw/zinc/11/84/70/218118470.db2.gz PJCBBQXGUOFGJX-IBGZPJMESA-N 1 0 345.874 3.782 50 0 EHAARO COc1cccc([C@H](CNC(=O)Nc2cccc(Cl)c2)[NH+](C)C)c1 ZINC000010018084 211140746 /nfs/dbraw/zinc/14/07/46/211140746.db2.gz FDXGOVYJXYUEMV-KRWDZBQOSA-N 1 0 347.846 3.773 50 0 EHAARO CCn1nc(C)c(C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1C ZINC000093280063 218210048 /nfs/dbraw/zinc/21/00/48/218210048.db2.gz IDUYXKMGCWXTHZ-FQEVSTJZSA-N 1 0 345.462 3.605 50 0 EHAARO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000009534506 211100083 /nfs/dbraw/zinc/10/00/83/211100083.db2.gz SIQQDELLVWJQDT-NSHDSACASA-N 1 0 336.794 3.605 50 0 EHAARO Cc1sc(NC(=O)C[N@H+](C)CC2CC2)nc1-c1ccc(F)cc1 ZINC000095357308 218290555 /nfs/dbraw/zinc/29/05/55/218290555.db2.gz QTSLJZFHFHBJAG-UHFFFAOYSA-N 1 0 333.432 3.538 50 0 EHAARO Cc1cccc(CCCNC(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)c1 ZINC000095358419 218291265 /nfs/dbraw/zinc/29/12/65/218291265.db2.gz ZATQWMUJJUCJIA-NRFANRHFSA-N 1 0 336.479 3.825 50 0 EHAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000095367727 218299838 /nfs/dbraw/zinc/29/98/38/218299838.db2.gz OBAMXGCAQOKKBL-MRXNPFEDSA-N 1 0 340.920 3.564 50 0 EHAARO COc1cccc([C@@H](C[C@H]2CCCO2)[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000095419584 218359148 /nfs/dbraw/zinc/35/91/48/218359148.db2.gz WCEAMROCDLHDPD-NHCUHLMSSA-N 1 0 344.499 3.522 50 0 EHAARO CC(C)OC(=O)N1CCC([NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000095415478 218354124 /nfs/dbraw/zinc/35/41/24/218354124.db2.gz VERWELRNOBXSEA-UHFFFAOYSA-N 1 0 337.489 3.510 50 0 EHAARO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C)s2)cc1 ZINC000095420460 218360497 /nfs/dbraw/zinc/36/04/97/218360497.db2.gz WXWWDIWHFNOBOZ-CYBMUJFWSA-N 1 0 338.498 3.669 50 0 EHAARO C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccc(F)cc1 ZINC000095420454 218361117 /nfs/dbraw/zinc/36/11/17/218361117.db2.gz UTBIUEPYFOQPNE-HNAYVOBHSA-N 1 0 326.415 3.840 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc(F)ccc1F ZINC000095420649 218361490 /nfs/dbraw/zinc/36/14/90/218361490.db2.gz SENOJQXXHSSXME-CQSZACIVSA-N 1 0 344.405 3.938 50 0 EHAARO Cc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)o1 ZINC000095420849 218362161 /nfs/dbraw/zinc/36/21/61/218362161.db2.gz OBXJKMIFYULFOV-SJORKVTESA-N 1 0 328.456 3.660 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cn1 ZINC000095420603 218362289 /nfs/dbraw/zinc/36/22/89/218362289.db2.gz CPIIPXMSGZNCQE-QGZVFWFLSA-N 1 0 336.464 3.902 50 0 EHAARO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(Br)s1 ZINC000095421660 218363821 /nfs/dbraw/zinc/36/38/21/218363821.db2.gz NANIFJXYFYIUMW-JTQLQIEISA-N 1 0 328.279 3.528 50 0 EHAARO O=C(Cc1cccc2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008520534 210961548 /nfs/dbraw/zinc/96/15/48/210961548.db2.gz AXYRPIAAJJCASD-FQEVSTJZSA-N 1 0 348.446 3.929 50 0 EHAARO Cc1cccnc1[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000095422485 218365501 /nfs/dbraw/zinc/36/55/01/218365501.db2.gz HFWBNQGZRAPEAE-CRAIPNDOSA-N 1 0 346.496 3.841 50 0 EHAARO CCOc1cccc(CN2CCC[N@@H+](C(C)C)CC2)c1OC(F)F ZINC000095453824 218397794 /nfs/dbraw/zinc/39/77/94/218397794.db2.gz HWIARXOSZQRUHA-UHFFFAOYSA-N 1 0 342.430 3.603 50 0 EHAARO Cc1csc([C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C2CC2)n1 ZINC000095988368 218496076 /nfs/dbraw/zinc/49/60/76/218496076.db2.gz WJXHXKZNNIGAKL-KBPBESRZSA-N 1 0 337.489 3.502 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCCOc2ccccc2CC)CC1 ZINC000006704049 210687795 /nfs/dbraw/zinc/68/77/95/210687795.db2.gz GBEGJLJVDGSZKP-UHFFFAOYSA-N 1 0 333.472 3.683 50 0 EHAARO C[NH+](C)CCN(C(=O)c1cccs1)c1nc2c(cccc2F)s1 ZINC000005115665 210393331 /nfs/dbraw/zinc/39/33/31/210393331.db2.gz ALALKWZQEKRVIJ-UHFFFAOYSA-N 1 0 349.456 3.705 50 0 EHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1cccc(C)c1 ZINC000005019350 210364226 /nfs/dbraw/zinc/36/42/26/210364226.db2.gz SIHMHIXGRSYBON-LJQANCHMSA-N 1 0 341.451 3.851 50 0 EHAARO Brc1ccc(C[NH2+]CCCSc2ncccn2)cc1 ZINC000004984018 210350018 /nfs/dbraw/zinc/35/00/18/210350018.db2.gz LDCZPVDYGUAWQD-UHFFFAOYSA-N 1 0 338.274 3.511 50 0 EHAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1 ZINC000004899492 210316161 /nfs/dbraw/zinc/31/61/61/210316161.db2.gz FVGGFBMEWGARAX-IBGZPJMESA-N 1 0 329.403 3.830 50 0 in-vitro EHAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000004871641 210309389 /nfs/dbraw/zinc/30/93/89/210309389.db2.gz URLNSGPOCKGZAN-INIZCTEOSA-N 1 0 339.483 3.626 50 0 EHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000004862880 210305579 /nfs/dbraw/zinc/30/55/79/210305579.db2.gz WZXIXPBTKATNMH-INIZCTEOSA-N 1 0 339.464 3.714 50 0 EHAARO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1ccncc1 ZINC000097370656 219016822 /nfs/dbraw/zinc/01/68/22/219016822.db2.gz DZDGCRWMZAIELD-CABCVRRESA-N 1 0 337.423 3.698 50 0 EHAARO c1csc(N2CCC([NH2+]CCCc3c[nH]c4ccccc34)CC2)n1 ZINC000180190638 257953481 /nfs/dbraw/zinc/95/34/81/257953481.db2.gz MKZSIEJPYLLMQS-UHFFFAOYSA-N 1 0 340.496 3.816 50 0 EHAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1cccnc1Cl ZINC000065788984 258063137 /nfs/dbraw/zinc/06/31/37/258063137.db2.gz BFEHIJCUQDYCMB-UHFFFAOYSA-N 1 0 344.846 3.653 50 0 EHAARO CC[C@@H](C)[NH2+]C1CCN(c2ccc(N3C(=O)CC[C@H]3C)cc2)CC1 ZINC000055060981 132193289 /nfs/dbraw/zinc/19/32/89/132193289.db2.gz HQIAKMYEODCDRY-HZPDHXFCSA-N 1 0 329.488 3.559 50 0 EHAARO CC(C)C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055531390 132195120 /nfs/dbraw/zinc/19/51/20/132195120.db2.gz DTEGYTYBHJXCGL-UHFFFAOYSA-N 1 0 337.467 3.603 50 0 EHAARO CCCCC[C@@H](C)NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104077 132398101 /nfs/dbraw/zinc/39/81/01/132398101.db2.gz CVQFLLNKHYGTNT-MRXNPFEDSA-N 1 0 332.492 3.529 50 0 EHAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COC(C)C)cc1 ZINC000036101737 524420366 /nfs/dbraw/zinc/42/03/66/524420366.db2.gz WSSHOTRPWQNXIK-NRFANRHFSA-N 1 0 327.468 3.783 50 0 EHAARO Cc1cc(Br)ccc1OCCOCC[NH2+]C(C)(C)C ZINC000003001246 526173150 /nfs/dbraw/zinc/17/31/50/526173150.db2.gz FSHGVCWMJZGTIL-UHFFFAOYSA-N 1 0 330.266 3.541 50 0 EHAARO C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C(=O)[O-])cc1 ZINC000215297907 536020288 /nfs/dbraw/zinc/02/02/88/536020288.db2.gz PNCUYZOARGHBBF-FQEVSTJZSA-N 1 0 338.451 3.784 50 0 EHAARO CCOC(=O)c1cccc(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000002514555 563435605 /nfs/dbraw/zinc/43/56/05/563435605.db2.gz GTZCVKOKAXVOCD-UHFFFAOYSA-N 1 0 337.419 3.690 50 0 EHAARO COc1ccc(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005525672 563537409 /nfs/dbraw/zinc/53/74/09/563537409.db2.gz BJLIVVSDLXNEDM-ZWKOTPCHSA-N 1 0 329.827 3.877 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2)CC1 ZINC000005823063 563551437 /nfs/dbraw/zinc/55/14/37/563551437.db2.gz SOZYLLRYQOOZFZ-UHFFFAOYSA-N 1 0 337.467 3.698 50 0 EHAARO CCOC(=O)C1CC[NH+](CCOc2c(C)cc(Cl)cc2C)CC1 ZINC000006701966 563580118 /nfs/dbraw/zinc/58/01/18/563580118.db2.gz GPWAXZNLRVRYFF-UHFFFAOYSA-N 1 0 339.863 3.611 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCOc2cc(C)ccc2Cl)CC1 ZINC000006702669 563580825 /nfs/dbraw/zinc/58/08/25/563580825.db2.gz WKDOSNDFHSGNDX-UHFFFAOYSA-N 1 0 339.863 3.692 50 0 EHAARO Cc1ccccc1[N+]1=C2CCCCCN2[C@@](O)(c2ccc(F)cc2)C1 ZINC000002974625 563623540 /nfs/dbraw/zinc/62/35/40/563623540.db2.gz LQUKBNBILWGWAX-NRFANRHFSA-N 1 0 339.434 3.784 50 0 EHAARO Cc1ccc([C@@]2(O)C[N+](c3cccc(C)c3C)=C3CCCCN32)cc1 ZINC000002966248 563624279 /nfs/dbraw/zinc/62/42/79/563624279.db2.gz KKBFMJHJUWLUMZ-QFIPXVFZSA-N 1 0 335.471 3.872 50 0 EHAARO COCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008469237 563630777 /nfs/dbraw/zinc/63/07/77/563630777.db2.gz QPBJPIQJXFWNQI-UHFFFAOYSA-N 1 0 335.831 3.664 50 0 EHAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000012581882 563663814 /nfs/dbraw/zinc/66/38/14/563663814.db2.gz RVTCNQBVZIHZAO-GOSISDBHSA-N 1 0 347.462 3.977 50 0 EHAARO Cc1ccc(-n2cc(C[N@H+](C)CCO)c(-c3cccc(C)c3)n2)cc1 ZINC000012593966 563664678 /nfs/dbraw/zinc/66/46/78/563664678.db2.gz VOFBGKDVBQMWKN-UHFFFAOYSA-N 1 0 335.451 3.580 50 0 EHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000012977091 563680522 /nfs/dbraw/zinc/68/05/22/563680522.db2.gz YJGCEBYKAWFPGR-SFHVURJKSA-N 1 0 327.403 3.784 50 0 EHAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1C ZINC000013595556 563703225 /nfs/dbraw/zinc/70/32/25/563703225.db2.gz ITOLHAUUQSTUHF-KRWDZBQOSA-N 1 0 338.451 3.802 50 0 EHAARO O=C(Nc1ccccc1F)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000032779525 563732812 /nfs/dbraw/zinc/73/28/12/563732812.db2.gz RHBUMLNJABWHAS-GOSISDBHSA-N 1 0 327.403 3.784 50 0 EHAARO CC[NH+](CC)[C@@H]1CCN(c2nncc(-c3ccc4ccccc4c3)n2)C1 ZINC000014967625 563769116 /nfs/dbraw/zinc/76/91/16/563769116.db2.gz RPNUUCCBVBXCIA-LJQANCHMSA-N 1 0 347.466 3.612 50 0 EHAARO CCOc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000015860256 563797041 /nfs/dbraw/zinc/79/70/41/563797041.db2.gz CPWRJJOCLKRRCB-SFHVURJKSA-N 1 0 342.439 3.554 50 0 EHAARO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000016344544 563809326 /nfs/dbraw/zinc/80/93/26/563809326.db2.gz ZTDOTOVLNCHEGA-MOPGFXCFSA-N 1 0 339.435 3.718 50 0 EHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCC2 ZINC000024277802 563870218 /nfs/dbraw/zinc/87/02/18/563870218.db2.gz TWOSJMMUVYMDSA-UHFFFAOYSA-N 1 0 336.479 3.947 50 0 EHAARO COc1ccc(OC)c(C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)c1 ZINC000025066226 563880814 /nfs/dbraw/zinc/88/08/14/563880814.db2.gz GRSXWBLIYBVSKZ-UHFFFAOYSA-N 1 0 345.439 3.789 50 0 EHAARO Cc1cccc(OCCCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000025420600 563884705 /nfs/dbraw/zinc/88/47/05/563884705.db2.gz LHCYBWLMGIESDY-FQEVSTJZSA-N 1 0 340.467 3.573 50 0 EHAARO Cc1cccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000027437996 563895775 /nfs/dbraw/zinc/89/57/75/563895775.db2.gz OLPYXEUIFJQGDG-UHFFFAOYSA-N 1 0 326.415 3.529 50 0 EHAARO Cc1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCCCCC2)cc1 ZINC000027584501 563897338 /nfs/dbraw/zinc/89/73/38/563897338.db2.gz SKOSUCKDYBLVEG-GOSISDBHSA-N 1 0 326.440 3.935 50 0 EHAARO O=C(Nc1cccc2cccnc21)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043529559 563901395 /nfs/dbraw/zinc/90/13/95/563901395.db2.gz NXCOJCZRTMSUGN-GOSISDBHSA-N 1 0 346.434 3.631 50 0 EHAARO CC[N@H+](C)C[C@H]1CCN(Cc2cc(Br)ccc2Cl)C1 ZINC000072305281 563914702 /nfs/dbraw/zinc/91/47/02/563914702.db2.gz VEAPHQILEOGZKU-GFCCVEGCSA-N 1 0 345.712 3.876 50 0 EHAARO CCC[NH+](CCC)CCSc1nnc2c3ccccc3[nH]c2n1 ZINC000033848621 563916587 /nfs/dbraw/zinc/91/65/87/563916587.db2.gz DFCUTQPMJQXNLQ-UHFFFAOYSA-N 1 0 329.473 3.720 50 0 EHAARO CCOC(=O)c1ccc(Nc2cc(C)[nH+]c(C)c2C(=O)OCC)cc1 ZINC000000211785 563917153 /nfs/dbraw/zinc/91/71/53/563917153.db2.gz LUCUEMZQNUGLQG-UHFFFAOYSA-N 1 0 342.395 3.795 50 0 EHAARO Cc1nc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@H]32)c(C)s1 ZINC000269866599 563932645 /nfs/dbraw/zinc/93/26/45/563932645.db2.gz SSDJXCHSFBUJOK-DOTOQJQBSA-N 1 0 341.480 3.516 50 0 EHAARO CCCCCN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)C(C)C ZINC000058017538 563936725 /nfs/dbraw/zinc/93/67/25/563936725.db2.gz YIUIVEDYMMNKKP-OAHLLOKOSA-N 1 0 325.522 3.961 50 0 EHAARO Cn1c(Cl)c(Cl)cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000058015955 563936730 /nfs/dbraw/zinc/93/67/30/563936730.db2.gz MSJAWVQVUAXWKQ-UHFFFAOYSA-N 1 0 340.254 3.540 50 0 EHAARO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(c3ccccc3)=N2)c1 ZINC000058419404 563945729 /nfs/dbraw/zinc/94/57/29/563945729.db2.gz KXJUJDGUXFPBBY-NRFANRHFSA-N 1 0 347.462 3.769 50 0 EHAARO CCC(CC)[C@@H](CNc1nccc(C(F)(F)F)n1)[NH+]1CCCC1 ZINC000058666352 563947077 /nfs/dbraw/zinc/94/70/77/563947077.db2.gz HLVLCBBHMUUALT-CYBMUJFWSA-N 1 0 330.398 3.808 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@]2(O)CCCc3ccccc32)c1 ZINC000096477365 563954953 /nfs/dbraw/zinc/95/49/53/563954953.db2.gz TYCHNYWHNSWPBM-YCRPNKLZSA-N 1 0 338.451 3.520 50 0 EHAARO Cc1cc(C)c(NC(=O)CC[NH2+][C@H](C)Cc2cccnc2)c(C)c1 ZINC000065375015 563958744 /nfs/dbraw/zinc/95/87/44/563958744.db2.gz JIRRYDZUGKHWHD-QGZVFWFLSA-N 1 0 325.456 3.556 50 0 EHAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@@H](c2sccc2C)[C@H](O)C1 ZINC000065387743 563959363 /nfs/dbraw/zinc/95/93/63/563959363.db2.gz FAVMOTJLCCBYIX-JORFTBQQSA-N 1 0 343.492 3.929 50 0 EHAARO CCc1noc([C@H](C)[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000065430535 563960864 /nfs/dbraw/zinc/96/08/64/563960864.db2.gz VRDNJKFUJRCKEC-QWRGUYRKSA-N 1 0 327.350 3.933 50 0 EHAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1scnc1-c1ccccc1 ZINC000065433574 563960940 /nfs/dbraw/zinc/96/09/40/563960940.db2.gz ROBHAPRGFOOGLI-MRXNPFEDSA-N 1 0 343.496 3.691 50 0 EHAARO Cc1ccc(NC(=O)C2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000033128950 563963589 /nfs/dbraw/zinc/96/35/89/563963589.db2.gz WGEQCHGUJULHSS-UHFFFAOYSA-N 1 0 329.831 3.899 50 0 EHAARO c1ccc(CC[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000071768083 563965591 /nfs/dbraw/zinc/96/55/91/563965591.db2.gz POIVQFIZIUPXIV-YTFSRNRJSA-N 1 0 332.491 3.791 50 0 EHAARO CSc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000097101075 563967690 /nfs/dbraw/zinc/96/76/90/563967690.db2.gz NHXNMEOQBWOQIV-HNNXBMFYSA-N 1 0 333.501 3.748 50 0 EHAARO Cc1ccc2[nH]c([C@@H]3CCCN3Cc3cccc(CC[NH3+])c3)nc2c1 ZINC000077505538 563970122 /nfs/dbraw/zinc/97/01/22/563970122.db2.gz WKIAWRLTGQAZTG-FQEVSTJZSA-N 1 0 334.467 3.710 50 0 EHAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CCCC[C@@H]1CCn1ccnc1C ZINC000077537578 563970250 /nfs/dbraw/zinc/97/02/50/563970250.db2.gz BVDGIURJYNXOGG-OAHLLOKOSA-N 1 0 349.910 3.586 50 0 EHAARO COc1cc[nH+]c(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000097231544 563970767 /nfs/dbraw/zinc/97/07/67/563970767.db2.gz RVIJSQXLJSIFJB-LBPRGKRZSA-N 1 0 326.400 3.547 50 0 EHAARO Cc1cccc(NC(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000033312164 563973560 /nfs/dbraw/zinc/97/35/60/563973560.db2.gz LKYWSGPFWLCEJB-QGZVFWFLSA-N 1 0 329.488 3.971 50 0 EHAARO CCN(CC[NH+]1CCCC1)C(=O)c1[nH]c2c(c1C)c(C)ccc2C ZINC000091365220 563975340 /nfs/dbraw/zinc/97/53/40/563975340.db2.gz BKOYNBNNVJLOIN-UHFFFAOYSA-N 1 0 327.472 3.651 50 0 EHAARO CC(C)[C@@H](c1ccccn1)n1cc(C2CC[NH+](C(C)C)CC2)nn1 ZINC000092027938 563975955 /nfs/dbraw/zinc/97/59/55/563975955.db2.gz HJVQHECUJVQLRU-IBGZPJMESA-N 1 0 327.476 3.506 50 0 EHAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000095531319 563977554 /nfs/dbraw/zinc/97/75/54/563977554.db2.gz BTWFSAJDZWCOOU-LJQANCHMSA-N 1 0 338.495 3.857 50 0 EHAARO c1coc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc5nc[nH]c5c4)no3)C2)c1 ZINC000096150124 563979644 /nfs/dbraw/zinc/97/96/44/563979644.db2.gz UOJZUERDLFTWSG-CQSZACIVSA-N 1 0 349.394 3.586 50 0 EHAARO Cc1nc(-c2cc(C)nc3cc(F)ccc32)n(C2CC[NH+](C)CC2)n1 ZINC000096166457 563979956 /nfs/dbraw/zinc/97/99/56/563979956.db2.gz ZNNGYCHLHOMQKG-UHFFFAOYSA-N 1 0 339.418 3.516 50 0 EHAARO CC(C)Oc1ccccc1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000097088132 563981315 /nfs/dbraw/zinc/98/13/15/563981315.db2.gz KAJDKXKNYQIRLN-UHFFFAOYSA-N 1 0 340.467 3.508 50 0 EHAARO c1coc(-c2nnc(C[NH+]3CCC(c4c[nH]c5ncccc45)CC3)o2)c1 ZINC000071911910 563983457 /nfs/dbraw/zinc/98/34/57/563983457.db2.gz DKHHVIGHXWHAOL-UHFFFAOYSA-N 1 0 349.394 3.586 50 0 EHAARO COc1ccc(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000000261485 563989702 /nfs/dbraw/zinc/98/97/02/563989702.db2.gz AKDGTWYFTJEPQJ-UHFFFAOYSA-N 1 0 349.544 3.975 50 0 EHAARO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000408515995 563992844 /nfs/dbraw/zinc/99/28/44/563992844.db2.gz DMPUUBYENNJPLH-BVGQSLNGSA-N 1 0 349.425 3.622 50 0 EHAARO [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000237940306 563994206 /nfs/dbraw/zinc/99/42/06/563994206.db2.gz CXTBJIASMIAMSM-KRWDZBQOSA-N 1 0 328.843 3.646 50 0 EHAARO Cc1csc([C@@H]2CN(Cc3cc(-c4ccccc4)no3)CCO2)n1 ZINC000065473721 563998200 /nfs/dbraw/zinc/99/82/00/563998200.db2.gz DCAIBPQZDJLXSC-KRWDZBQOSA-N 1 0 341.436 3.680 50 0 EHAARO Cc1c2ccccc2oc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000005172707 563999920 /nfs/dbraw/zinc/99/99/20/563999920.db2.gz YMPSOVPKSAENCE-UHFFFAOYSA-N 1 0 349.434 3.745 50 0 EHAARO COc1ccc2cc([C@@H](C)[NH+]3CCC(n4cncn4)CC3)ccc2c1 ZINC000075678705 564000543 /nfs/dbraw/zinc/00/05/43/564000543.db2.gz SVGQCWSRHYBFBA-OAHLLOKOSA-N 1 0 336.439 3.838 50 0 EHAARO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000006936274 564006686 /nfs/dbraw/zinc/00/66/86/564006686.db2.gz XVMPCWDBLKXCQL-IBGZPJMESA-N 1 0 347.405 3.528 50 0 EHAARO COc1cccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000273442676 564007781 /nfs/dbraw/zinc/00/77/81/564007781.db2.gz NQAWWRVIFBTFMA-QZTJIDSGSA-N 1 0 330.403 3.581 50 0 EHAARO COC1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCOCC1 ZINC000189351136 564015187 /nfs/dbraw/zinc/01/51/87/564015187.db2.gz YUKKEHGYNUXSFE-UHFFFAOYSA-N 1 0 337.769 3.644 50 0 EHAARO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)c1 ZINC000013118087 564019559 /nfs/dbraw/zinc/01/95/59/564019559.db2.gz ZEUDVFYNRPPHQM-ZDUSSCGKSA-N 1 0 331.412 3.572 50 0 EHAARO CC(C)[NH+](CCNC(=O)c1cc(F)c(Cl)cc1Cl)C(C)C ZINC000014197250 564021648 /nfs/dbraw/zinc/02/16/48/564021648.db2.gz LITHCGYKJDMSAG-UHFFFAOYSA-N 1 0 335.250 3.981 50 0 EHAARO COc1ccc2[nH]c(C)c([C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000000533350 564022001 /nfs/dbraw/zinc/02/20/01/564022001.db2.gz NKIFUGAYODBNPP-FQEVSTJZSA-N 1 0 336.435 3.577 50 0 biogenic EHAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCCCC2)CCCC1 ZINC000000571480 564023721 /nfs/dbraw/zinc/02/37/21/564023721.db2.gz QKGRSGOCSRBSLD-KRWDZBQOSA-N 1 0 326.484 3.675 50 0 EHAARO O=C(NCC[NH+]1CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000047139890 564025770 /nfs/dbraw/zinc/02/57/70/564025770.db2.gz IHKZFCNOZLHLRX-UHFFFAOYSA-N 1 0 336.435 3.526 50 0 EHAARO C[C@@H]1[C@H]([NH2+]CCC(=O)N(C)Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000108178630 564027983 /nfs/dbraw/zinc/02/79/83/564027983.db2.gz PUMFLHQMSYNRJX-DZFGPLHGSA-N 1 0 336.479 3.817 50 0 EHAARO Cc1nc2ccccc2n(CCC[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c1=O ZINC000108395068 564028256 /nfs/dbraw/zinc/02/82/56/564028256.db2.gz UDYFDXMQQUYTQI-ZMSDIMECSA-N 1 0 327.472 3.509 50 0 EHAARO CCN(CC(C)C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045757594 564028656 /nfs/dbraw/zinc/02/86/56/564028656.db2.gz ZPXJUIJKZRQTQL-UHFFFAOYSA-N 1 0 331.504 3.647 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccco3)cc2)C1 ZINC000048310793 564030791 /nfs/dbraw/zinc/03/07/91/564030791.db2.gz VMPXSBLUFNKRIZ-IYBDPMFKSA-N 1 0 326.440 3.688 50 0 EHAARO C[NH+](C)Cc1ccccc1NC(=O)CCCOc1ccccc1F ZINC000048365261 564031482 /nfs/dbraw/zinc/03/14/82/564031482.db2.gz WGOOBYMPAQTJOX-UHFFFAOYSA-N 1 0 330.403 3.685 50 0 EHAARO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048784074 564032249 /nfs/dbraw/zinc/03/22/49/564032249.db2.gz MOMLSHZVWLMOHG-KRWDZBQOSA-N 1 0 340.471 3.782 50 0 EHAARO CC(C)([NH2+]CC(=O)Nc1ccccc1Br)c1ccccc1 ZINC000058168386 564035613 /nfs/dbraw/zinc/03/56/13/564035613.db2.gz GTXHGFZQXUEDAH-UHFFFAOYSA-N 1 0 347.256 3.913 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1F ZINC000024084137 564036398 /nfs/dbraw/zinc/03/63/98/564036398.db2.gz PGVNAYOLBOJYIK-GFCCVEGCSA-N 1 0 349.402 3.711 50 0 EHAARO O=C(N1CCC[N@@H+](C2CCCCC2)CC1)C1(c2ccccc2F)CC1 ZINC000222435382 564036864 /nfs/dbraw/zinc/03/68/64/564036864.db2.gz CWPYOJUKGPICHA-UHFFFAOYSA-N 1 0 344.474 3.724 50 0 EHAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238013849 564051503 /nfs/dbraw/zinc/05/15/03/564051503.db2.gz UFGPAUUQJBQULD-NRFANRHFSA-N 1 0 348.490 3.715 50 0 EHAARO Cc1sc2ncnc(NCc3cccc(C[NH+](C)C)c3)c2c1C ZINC000025568052 564056276 /nfs/dbraw/zinc/05/62/76/564056276.db2.gz GCRRXMUJOBMSSM-UHFFFAOYSA-N 1 0 326.469 3.982 50 0 EHAARO Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)s1 ZINC000012543315 564058809 /nfs/dbraw/zinc/05/88/09/564058809.db2.gz CYZCBTXUGXSNMF-UHFFFAOYSA-N 1 0 349.887 3.714 50 0 EHAARO Cc1nn(C)c(Oc2cccnc2)c1C[NH2+]C[C@@H](C)c1ccsc1 ZINC000083473583 564063300 /nfs/dbraw/zinc/06/33/00/564063300.db2.gz AVLMOXLIPGCGAK-CYBMUJFWSA-N 1 0 342.468 3.871 50 0 EHAARO CS[C@H]1CCC[C@H]1[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000084200148 564067388 /nfs/dbraw/zinc/06/73/88/564067388.db2.gz SKCLLAYNYOHHQW-CVEARBPZSA-N 1 0 342.549 3.849 50 0 EHAARO Oc1ccc(CCC2CC[NH+](C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000084372028 564067955 /nfs/dbraw/zinc/06/79/55/564067955.db2.gz RIFXOHDRMQOPPF-NRFANRHFSA-N 1 0 343.442 3.910 50 0 EHAARO CC[C@@H](C)c1ccc(NC(=O)[C@H](C)NCC(C)(C)C[NH+](C)C)cc1 ZINC000006085820 564073768 /nfs/dbraw/zinc/07/37/68/564073768.db2.gz SACHYHKHZUGKQY-CVEARBPZSA-N 1 0 333.520 3.705 50 0 EHAARO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000075108861 564080242 /nfs/dbraw/zinc/08/02/42/564080242.db2.gz URJWBHSITWWELY-VIFPVBQESA-N 1 0 327.211 3.959 50 0 EHAARO Fc1cccc(C[NH+]2CCC(c3nnc(C(F)(F)F)o3)CC2)c1 ZINC000075165322 564081003 /nfs/dbraw/zinc/08/10/03/564081003.db2.gz UFRQZGPWNQBQNY-UHFFFAOYSA-N 1 0 329.297 3.607 50 0 EHAARO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000225428111 564084317 /nfs/dbraw/zinc/08/43/17/564084317.db2.gz UQNJRCRJPUGWQI-XWCIJXRUSA-N 1 0 329.868 3.805 50 0 EHAARO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1F ZINC000090543249 564084667 /nfs/dbraw/zinc/08/46/67/564084667.db2.gz ICVJLKFKJRHNHB-DXCKQFNASA-N 1 0 325.449 3.540 50 0 EHAARO Cc1sc2cc(C(=O)NCC3CC3)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487463 564086711 /nfs/dbraw/zinc/08/67/11/564086711.db2.gz RZBBXFWCAKRPLM-UHFFFAOYSA-N 1 0 331.485 3.664 50 0 EHAARO CCOc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2F)cc1 ZINC000013013450 564086820 /nfs/dbraw/zinc/08/68/20/564086820.db2.gz DRCFHFGLTGCULF-UHFFFAOYSA-N 1 0 330.403 3.685 50 0 EHAARO C[NH+](C)CCCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000001794969 564087695 /nfs/dbraw/zinc/08/76/95/564087695.db2.gz VBXCDSNAOCXQEF-UHFFFAOYSA-N 1 0 330.432 3.861 50 0 EHAARO CCS[C@H](C)c1noc(CN2CCC(c3ccc(O)cc3)CC2)n1 ZINC000089274824 564087958 /nfs/dbraw/zinc/08/79/58/564087958.db2.gz GYDPVGSGHWRRDW-CYBMUJFWSA-N 1 0 347.484 3.969 50 0 EHAARO Cc1csc(C2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)n1 ZINC000191978056 564089747 /nfs/dbraw/zinc/08/97/47/564089747.db2.gz YMUQZDBSUNFEDA-KRWDZBQOSA-N 1 0 341.480 3.584 50 0 EHAARO CC(C)n1ccnc1CNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426369925 564093520 /nfs/dbraw/zinc/09/35/20/564093520.db2.gz JOCSWQLLMIOSDF-NRFANRHFSA-N 1 0 337.467 3.982 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc2)cn1 ZINC000426439079 564093758 /nfs/dbraw/zinc/09/37/58/564093758.db2.gz WNOFGGWAFKLQNR-QFIPXVFZSA-N 1 0 349.478 3.615 50 0 EHAARO C[C@@H]([NH2+]CCN1CCCCC1)c1cc(Br)ccc1F ZINC000149516467 564096224 /nfs/dbraw/zinc/09/62/24/564096224.db2.gz AXWAWBKEVDBSQZ-GFCCVEGCSA-N 1 0 329.257 3.725 50 0 EHAARO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000155444924 564098385 /nfs/dbraw/zinc/09/83/85/564098385.db2.gz PBQWCNNIYRJHTL-HNNXBMFYSA-N 1 0 348.450 3.518 50 0 EHAARO Cc1ccc(-c2nnc(-c3cccnc3NCC[NH+]3CCCC3)o2)cc1 ZINC000065117711 564101240 /nfs/dbraw/zinc/10/12/40/564101240.db2.gz ONDAEGNAMHFMML-UHFFFAOYSA-N 1 0 349.438 3.615 50 0 EHAARO Cc1cc2[nH]c(C(=O)NCc3cccc(C)c3)c(C[NH+](C)C)c2s1 ZINC000065139087 564101559 /nfs/dbraw/zinc/10/15/59/564101559.db2.gz OMIXCHUTRLZTKB-UHFFFAOYSA-N 1 0 341.480 3.838 50 0 EHAARO COc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)c(C(C)(C)C)c1 ZINC000006949332 564102089 /nfs/dbraw/zinc/10/20/89/564102089.db2.gz UNIOPIHHZCUNIF-CVEARBPZSA-N 1 0 335.488 3.607 50 0 EHAARO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000249119870 564103668 /nfs/dbraw/zinc/10/36/68/564103668.db2.gz VVPOMHSNSMJCJW-HKUYNNGSSA-N 1 0 330.472 3.623 50 0 EHAARO O=C(NCC1(c2cccs2)CCCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000170615884 564109999 /nfs/dbraw/zinc/10/99/99/564109999.db2.gz WFLAORZCJJEMKH-INIZCTEOSA-N 1 0 332.513 3.693 50 0 EHAARO COc1cc(C[NH2+]C2CCC(O)CC2)c(-c2ccccc2)cc1OC ZINC000071825173 564111291 /nfs/dbraw/zinc/11/12/91/564111291.db2.gz KCQGAUUNCMQBIS-UHFFFAOYSA-N 1 0 341.451 3.764 50 0 EHAARO COc1cccc2cc(C[NH2+]C[C@@H]3CCCn4cc(C)nc43)oc21 ZINC000089702118 564113211 /nfs/dbraw/zinc/11/32/11/564113211.db2.gz QDQNJZNDSDGBOT-HNNXBMFYSA-N 1 0 325.412 3.614 50 0 EHAARO Cn1nccc1[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000089741116 564113504 /nfs/dbraw/zinc/11/35/04/564113504.db2.gz AROVEELMHAGKQY-HNNXBMFYSA-N 1 0 340.402 3.594 50 0 EHAARO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2)C12CCCCC2 ZINC000076021618 564114590 /nfs/dbraw/zinc/11/45/90/564114590.db2.gz YRZGKKFZEUAKAN-MOPGFXCFSA-N 1 0 333.472 3.921 50 0 EHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@H](C)C1 ZINC000076057488 564115086 /nfs/dbraw/zinc/11/50/86/564115086.db2.gz VPIOPKRUMQCFJO-RHSMWYFYSA-N 1 0 330.497 3.884 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cnc(C(C)(C)C)s2)[C@H](CC)C1 ZINC000089949115 564115795 /nfs/dbraw/zinc/11/57/95/564115795.db2.gz LZHRHTVKLWXKEF-UKRRQHHQSA-N 1 0 337.533 3.567 50 0 EHAARO CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)c(C)sc2-n2cccc2)C1 ZINC000089977212 564115977 /nfs/dbraw/zinc/11/59/77/564115977.db2.gz IURFOBUBAYGMQM-MRXNPFEDSA-N 1 0 345.512 3.617 50 0 EHAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000090003688 564116167 /nfs/dbraw/zinc/11/61/67/564116167.db2.gz ULAROOMXJAOPOF-AWEZNQCLSA-N 1 0 342.468 3.591 50 0 EHAARO C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000252474822 564118964 /nfs/dbraw/zinc/11/89/64/564118964.db2.gz MXHYBCGJPJFMNM-JHJVBQTASA-N 1 0 328.378 3.583 50 0 EHAARO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000194076680 564120370 /nfs/dbraw/zinc/12/03/70/564120370.db2.gz POGTYOYTFJDCCF-KRWDZBQOSA-N 1 0 348.512 3.757 50 0 EHAARO O=C(Nc1cccc(-n2cccc2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000252551876 564120778 /nfs/dbraw/zinc/12/07/78/564120778.db2.gz UIQHMEPJNHUNTD-LJQANCHMSA-N 1 0 338.455 3.569 50 0 EHAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3cccnc32)C[C@H]1C ZINC000252676105 564124857 /nfs/dbraw/zinc/12/48/57/564124857.db2.gz VZOPXZFACAUSQX-GDBMZVCRSA-N 1 0 326.444 3.571 50 0 EHAARO CC[NH+](CC)CCc1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000137813205 564129545 /nfs/dbraw/zinc/12/95/45/564129545.db2.gz YBYRDDNZCNZAPU-UHFFFAOYSA-N 1 0 325.456 3.893 50 0 EHAARO CCOC(=O)c1cc2cc(C[C@H](C)[NH3+])ccc2n1Cc1ccccc1 ZINC000167332041 564129575 /nfs/dbraw/zinc/12/95/75/564129575.db2.gz LPBUQDHKLGIXBJ-HNNXBMFYSA-N 1 0 336.435 3.756 50 0 EHAARO Cc1cc2oc(=O)cc(CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2cc1Cl ZINC000078876509 564137323 /nfs/dbraw/zinc/13/73/23/564137323.db2.gz OVMFTOXSPVHTNF-HIFRSBDPSA-N 1 0 348.874 3.669 50 0 EHAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2cnc(C(C)(C)C)s2)cn1 ZINC000078880630 564137331 /nfs/dbraw/zinc/13/73/31/564137331.db2.gz XDAYBLNKSRKOJE-BBRMVZONSA-N 1 0 348.516 3.524 50 0 EHAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000078896883 564137369 /nfs/dbraw/zinc/13/73/69/564137369.db2.gz IRIHEKVLUIMRJY-NVGCLXPQSA-N 1 0 338.854 3.777 50 0 EHAARO COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000079105184 564137902 /nfs/dbraw/zinc/13/79/02/564137902.db2.gz VIWYWAIBJKMRSB-CHWSQXEVSA-N 1 0 349.377 3.756 50 0 EHAARO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000093864311 564138079 /nfs/dbraw/zinc/13/80/79/564138079.db2.gz XSKJBAYFFMLYAY-GOSISDBHSA-N 1 0 349.438 3.512 50 0 EHAARO COc1ccc(CC[NH2+][C@H](c2ccc(F)cn2)C(C)C)cc1OC ZINC000095466803 564141075 /nfs/dbraw/zinc/14/10/75/564141075.db2.gz PUKFEKJOIAPGAF-IBGZPJMESA-N 1 0 332.419 3.767 50 0 EHAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000095946721 564142263 /nfs/dbraw/zinc/14/22/63/564142263.db2.gz ULCSOXXQGPXUKG-MLGOLLRUSA-N 1 0 344.842 3.953 50 0 EHAARO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095949449 564142346 /nfs/dbraw/zinc/14/23/46/564142346.db2.gz DHQBITVJZLAHDJ-NWDGAFQWSA-N 1 0 328.243 3.742 50 0 EHAARO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000095958660 564142618 /nfs/dbraw/zinc/14/26/18/564142618.db2.gz XBQALGOKCYGCLW-CYBMUJFWSA-N 1 0 342.393 3.948 50 0 EHAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1)c1ccncc1 ZINC000095968440 564143176 /nfs/dbraw/zinc/14/31/76/564143176.db2.gz ZLNRPPRKVFZPIK-KBXCAEBGSA-N 1 0 347.484 3.645 50 0 EHAARO Cc1cc(C)n(C[C@@H](C)C[NH2+][C@@H](CCc2ccccc2)C(F)F)n1 ZINC000095996291 564144256 /nfs/dbraw/zinc/14/42/56/564144256.db2.gz TZFAJFBURTXBDS-KSSFIOAISA-N 1 0 335.442 3.992 50 0 EHAARO CC(C)[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1F ZINC000096005928 564144549 /nfs/dbraw/zinc/14/45/49/564144549.db2.gz VBSWGUJXEUPXQT-MRXNPFEDSA-N 1 0 347.883 3.591 50 0 EHAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cc(F)ccc1CS(C)(=O)=O ZINC000096479121 564148512 /nfs/dbraw/zinc/14/85/12/564148512.db2.gz BMYRUTKYFILLAD-GJZGRUSLSA-N 1 0 349.471 3.652 50 0 EHAARO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)no1 ZINC000096489540 564148704 /nfs/dbraw/zinc/14/87/04/564148704.db2.gz WJCYNPHGBUGMIM-MLGOLLRUSA-N 1 0 343.427 3.550 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000002633104 564151497 /nfs/dbraw/zinc/15/14/97/564151497.db2.gz CAGCGZAFCQWSJF-FQEVSTJZSA-N 1 0 335.451 3.520 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1OC)c1ccsc1 ZINC000031097330 564158804 /nfs/dbraw/zinc/15/88/04/564158804.db2.gz QKJMEQIGOOHAPZ-MRXNPFEDSA-N 1 0 347.484 3.961 50 0 EHAARO CCCCOc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000008388791 564164872 /nfs/dbraw/zinc/16/48/72/564164872.db2.gz JFXCAMOZHZSKFS-UHFFFAOYSA-N 1 0 332.488 3.860 50 0 EHAARO CCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008714116 564166681 /nfs/dbraw/zinc/16/66/81/564166681.db2.gz LYCAEFUBRZAMCT-UHFFFAOYSA-N 1 0 342.439 3.657 50 0 EHAARO CCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008714128 564166683 /nfs/dbraw/zinc/16/66/83/564166683.db2.gz IZZWIWUVASGRKK-CYBMUJFWSA-N 1 0 342.439 3.657 50 0 EHAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)C1 ZINC000069485729 564169824 /nfs/dbraw/zinc/16/98/24/564169824.db2.gz MCTJOVGINRSMSP-ZBFHGGJFSA-N 1 0 342.405 3.569 50 0 EHAARO CC[C@@](C)(O)C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000069667161 564171414 /nfs/dbraw/zinc/17/14/14/564171414.db2.gz AXTUCMGSEUBQHI-LJQANCHMSA-N 1 0 346.858 3.843 50 0 EHAARO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccccc2N(C)C)CC1 ZINC000069699484 564171575 /nfs/dbraw/zinc/17/15/75/564171575.db2.gz DDARTHPXLWTRSM-UHFFFAOYSA-N 1 0 346.519 3.728 50 0 EHAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000069869971 564172539 /nfs/dbraw/zinc/17/25/39/564172539.db2.gz YOACYIMJWBLZJL-STQMWFEESA-N 1 0 347.509 3.570 50 0 EHAARO C[NH+](C)CCn1ccc2cc(NC(=O)c3c(F)cccc3F)ccc21 ZINC000071850006 564175992 /nfs/dbraw/zinc/17/59/92/564175992.db2.gz BIQSNPDSUJEDID-UHFFFAOYSA-N 1 0 343.377 3.733 50 0 EHAARO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342807846 1032360170 /nfs/dbraw/zinc/36/01/70/1032360170.db2.gz HTPUNFVPYLRCHH-KRWDZBQOSA-N 1 0 325.387 3.748 50 0 EHAARO c1ccc(CCC[N@@H+]2CCC[C@H](NCc3nc4ccccc4[nH]3)C2)cc1 ZINC000020598403 1018190293 /nfs/dbraw/zinc/19/02/93/1018190293.db2.gz FXTJIOPCKONRLO-IBGZPJMESA-N 1 0 348.494 3.750 50 0 EHAARO CC(C)(C)Nc1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)nc1 ZINC000289717797 1019744733 /nfs/dbraw/zinc/74/47/33/1019744733.db2.gz MZNAPMDQCBNERH-UHFFFAOYSA-N 1 0 341.459 3.684 50 0 EHAARO CO[C@H]1CN(c2cccc(F)c2)C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000575552622 1026149850 /nfs/dbraw/zinc/14/98/50/1026149850.db2.gz GGNPSYDBHZWPGG-IBGZPJMESA-N 1 0 344.430 3.597 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 ZINC000174129869 1033776262 /nfs/dbraw/zinc/77/62/62/1033776262.db2.gz JLLQZJJKYVWEPW-AWEZNQCLSA-N 1 0 346.496 3.775 50 0 EHAARO c1oc(-c2ccccc2)nc1CN1CCC(n2cc(C3CC3)nn2)CC1 ZINC000023429119 1035348849 /nfs/dbraw/zinc/34/88/49/1035348849.db2.gz MZQGWONLLWXFNX-UHFFFAOYSA-N 1 0 349.438 3.648 50 0 EHAARO CC(C)[N@@H+]1CCCC[C@@H]1CCn1cnc2cc(Cl)ccc2c1=O ZINC000032581806 1036054276 /nfs/dbraw/zinc/05/42/76/1036054276.db2.gz SRCXPZMRUNGDDC-OAHLLOKOSA-N 1 0 333.863 3.703 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]C/C=C/c1ccccc1OC ZINC000084736234 1036238100 /nfs/dbraw/zinc/23/81/00/1036238100.db2.gz JYNBPCYJPAOBCO-BULUQRFKSA-N 1 0 344.499 3.581 50 0 EHAARO CCn1nc([C@H]2CCCN2Cc2ccc(Cl)cc2)c2c1CCOC2 ZINC000675010688 1039830434 /nfs/dbraw/zinc/83/04/34/1039830434.db2.gz ITJPFEYAAXBYBT-GOSISDBHSA-N 1 0 345.874 3.966 50 0 EHAARO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(OC)cn1 ZINC000888098567 1043262063 /nfs/dbraw/zinc/26/20/63/1043262063.db2.gz LFSFPGHUKCTCSW-AEFFLSMTSA-N 1 0 329.444 3.561 50 0 EHAARO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](CCO)C2CCCCC2)s1 ZINC000183703165 1125706740 /nfs/dbraw/zinc/70/67/40/1125706740.db2.gz FKMQUTSIOGSWGY-LBPRGKRZSA-N 1 0 336.423 3.891 50 0 EHAARO C[C@H](c1ccco1)N1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011784069 1128983540 /nfs/dbraw/zinc/98/35/40/1128983540.db2.gz QZPHZCTYLSLPIU-PBHICJAKSA-N 1 0 330.403 3.651 50 0 EHAARO CC(C)([NH2+]CCn1cnc2ccccc2c1=O)c1cccc(Cl)c1 ZINC000179600753 1123802341 /nfs/dbraw/zinc/80/23/41/1123802341.db2.gz HAQGIWOCTNZHHD-UHFFFAOYSA-N 1 0 341.842 3.575 50 0 EHAARO Cc1c[nH+]c(C)n1C[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000575547729 1131572328 /nfs/dbraw/zinc/57/23/28/1131572328.db2.gz SVWAKLNJVLCCBB-HXUWFJFHSA-N 1 0 339.483 3.761 50 0 EHAARO Cc1ccsc1C[N@H+]1CC[C@@H](n2c(C)cnc2C2CCOCC2)C1 ZINC000575550773 1131573328 /nfs/dbraw/zinc/57/33/28/1131573328.db2.gz XZPOWZNGSZOEFN-QGZVFWFLSA-N 1 0 345.512 3.902 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCc3ccccc3)CC2)CC1 ZINC000581787840 1132356700 /nfs/dbraw/zinc/35/67/00/1132356700.db2.gz DZWBTUFJAMRQOG-OAQYLSRUSA-N 1 0 342.527 3.980 50 0 EHAARO C[NH+]1CCC(Cc2ccc(CN(C(=O)C3CCC3)C3CC3)cc2)CC1 ZINC000581810335 1132371473 /nfs/dbraw/zinc/37/14/73/1132371473.db2.gz NRRQJBYSMOUVQQ-UHFFFAOYSA-N 1 0 340.511 3.862 50 0 EHAARO O=C(C1CCC1)N1CCOc2ccc(C[NH+]3CCCCCC3)cc2C1 ZINC000581820084 1132375571 /nfs/dbraw/zinc/37/55/71/1132375571.db2.gz UDBJEQORKHMPBZ-UHFFFAOYSA-N 1 0 342.483 3.584 50 0 EHAARO Fc1ccccc1COC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000585094383 1136995493 /nfs/dbraw/zinc/99/54/93/1136995493.db2.gz VBNYPBNCXGJJGM-UHFFFAOYSA-N 1 0 330.403 3.872 50 0 EHAARO O=C(Nc1nc(Cc2ccccc2)cs1)C1CC[NH+](C2CC2)CC1 ZINC000192823496 1137456832 /nfs/dbraw/zinc/45/68/32/1137456832.db2.gz FEHMGQBNCLNNSA-UHFFFAOYSA-N 1 0 341.480 3.547 50 0 EHAARO C[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(N2CCCC2=O)c1 ZINC000952846937 1137482677 /nfs/dbraw/zinc/48/26/77/1137482677.db2.gz HWMKSBGTSLWMHP-HNNXBMFYSA-N 1 0 348.450 3.551 50 0 EHAARO CCCn1c(C)nc2cc(NC(=O)[C@@H](C)C[NH+]3CCCCC3)ccc21 ZINC000952870268 1137482868 /nfs/dbraw/zinc/48/28/68/1137482868.db2.gz ZIZALZVPKCVBLT-HNNXBMFYSA-N 1 0 342.487 3.815 50 0 EHAARO Cc1cc(F)ccc1N1CCC([N@@H+]2CCCN(C(C)C)CC2)CC1 ZINC000952963270 1137483839 /nfs/dbraw/zinc/48/38/39/1137483839.db2.gz JMQMVKLHEOPMRO-UHFFFAOYSA-N 1 0 333.495 3.519 50 0 EHAARO CCCCc1ncc(C[NH2+]C2CCN(c3cccc(C)c3)CC2)[nH]1 ZINC000952970289 1137483973 /nfs/dbraw/zinc/48/39/73/1137483973.db2.gz UZBGQYHBYFDWEJ-UHFFFAOYSA-N 1 0 326.488 3.819 50 0 EHAARO CC(C)[NH+]1CCC(CC(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 ZINC000952980703 1137484796 /nfs/dbraw/zinc/48/47/96/1137484796.db2.gz AJIRXWWYQNDSIU-UHFFFAOYSA-N 1 0 337.895 3.855 50 0 EHAARO Cc1cc(F)ccc1N1CCC([NH2+]CCc2ccc(O)cc2)CC1 ZINC000952984134 1137485321 /nfs/dbraw/zinc/48/53/21/1137485321.db2.gz IEDCQNYZEGPRGR-UHFFFAOYSA-N 1 0 328.431 3.641 50 0 EHAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)c2)n1 ZINC000097674251 219045991 /nfs/dbraw/zinc/04/59/91/219045991.db2.gz SRYHSBXYCHJABF-LJQANCHMSA-N 1 0 347.466 3.659 50 0 EHAARO CSc1cccc(CN(C)C(=O)c2cccc(C[NH+](C)C)c2)c1 ZINC000097730150 219052036 /nfs/dbraw/zinc/05/20/36/219052036.db2.gz CGXTYMIAYIMMCT-UHFFFAOYSA-N 1 0 328.481 3.742 50 0 EHAARO CSc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000004700464 210252273 /nfs/dbraw/zinc/25/22/73/210252273.db2.gz FTTVYFSSJRERRN-MRXNPFEDSA-N 1 0 346.540 3.879 50 0 EHAARO CN(C)C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000055119004 214276846 /nfs/dbraw/zinc/27/68/46/214276846.db2.gz IRAUJYHZJCZBIE-LJQANCHMSA-N 1 0 338.430 3.608 50 0 EHAARO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cc(C)c(OC(C)=O)c(C)c2)c1C ZINC000055309986 214304932 /nfs/dbraw/zinc/30/49/32/214304932.db2.gz ZQDYKKPCPLWTPB-CQSZACIVSA-N 1 0 343.471 3.913 50 0 EHAARO CCCCOc1c(C[N@@H+]2CCC[C@@H]2Cn2cccn2)cccc1OC ZINC000055383919 214315300 /nfs/dbraw/zinc/31/53/00/214315300.db2.gz SOWPYXGJAVWLKL-GOSISDBHSA-N 1 0 343.471 3.735 50 0 EHAARO CCC[N@H+](Cc1ccc(SC)cc1)Cc1cnc(COC)nc1 ZINC000055393170 214316619 /nfs/dbraw/zinc/31/66/19/214316619.db2.gz CFTDDGHFEHSABF-UHFFFAOYSA-N 1 0 331.485 3.757 50 0 EHAARO CC(C)[C@H](C)[N@H+](CCn1c(=O)oc2ccccc21)Cc1ccco1 ZINC000055414018 214322665 /nfs/dbraw/zinc/32/26/65/214322665.db2.gz RDHRTFFAKMAVPJ-HNNXBMFYSA-N 1 0 328.412 3.734 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCc2sccc2C1 ZINC000050027995 214040604 /nfs/dbraw/zinc/04/06/04/214040604.db2.gz SFHMLPZMQJHBRK-GOSISDBHSA-N 1 0 340.492 3.545 50 0 EHAARO C[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000058084703 214476760 /nfs/dbraw/zinc/47/67/60/214476760.db2.gz JFLMQKHRQMZKGV-TZMCWYRMSA-N 1 0 345.512 3.574 50 0 EHAARO COc1cccc([C@H](C[NH2+]Cc2ccc(F)cc2)N2CCCC2)c1 ZINC000098078625 219080087 /nfs/dbraw/zinc/08/00/87/219080087.db2.gz CEWJZQZFFDAELS-FQEVSTJZSA-N 1 0 328.431 3.761 50 0 EHAARO Cc1c(Br)cc(C(=O)OC2CC[NH+](C)CC2)c(C)c1C ZINC000004278500 210159779 /nfs/dbraw/zinc/15/97/79/210159779.db2.gz BCEAOWDUQRYWIV-UHFFFAOYSA-N 1 0 340.261 3.625 50 0 EHAARO [NH3+]CCc1nc2ccccc2c(N[C@@H](c2ccco2)c2ccccc2)n1 ZINC000065396671 214889265 /nfs/dbraw/zinc/88/92/65/214889265.db2.gz OLSHHAITLCLENM-HXUWFJFHSA-N 1 0 344.418 3.926 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(=O)n(-c2ccccc2)n1C ZINC000004022321 210101198 /nfs/dbraw/zinc/10/11/98/210101198.db2.gz WMSDSHMGTFQZQA-XLIONFOSSA-N 1 0 339.483 3.639 50 0 EHAARO Cc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000003878717 210081916 /nfs/dbraw/zinc/08/19/16/210081916.db2.gz NWAPEPJZJARYHX-XAUMDUMWSA-N 1 0 343.491 3.778 50 0 EHAARO CC(C)[NH2+]C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003864456 210080216 /nfs/dbraw/zinc/08/02/16/210080216.db2.gz AVLMICYHKNEDLK-BUMILGAPSA-N 1 0 343.511 3.892 50 0 EHAARO CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1nc(-c3ccc(F)cc3)cs1)C2 ZINC000102634498 219216368 /nfs/dbraw/zinc/21/63/68/219216368.db2.gz SHQJBYLFLQWPPT-UOIKSKOESA-N 1 0 332.444 3.806 50 0 EHAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000067694864 215186947 /nfs/dbraw/zinc/18/69/47/215186947.db2.gz RNZKMMRPVHSDSI-MRXNPFEDSA-N 1 0 325.456 3.601 50 0 EHAARO Oc1cc(-c2cccnc2)cc2c1OCC[N@H+](CCc1ccccc1)C2 ZINC000067833930 215224348 /nfs/dbraw/zinc/22/43/48/215224348.db2.gz UIEQHPZLUUGFRK-UHFFFAOYSA-N 1 0 346.430 3.891 50 0 EHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C)c(C)o2)c(OC)c1C ZINC000067964949 215260299 /nfs/dbraw/zinc/26/02/99/215260299.db2.gz KZMYFSLQBJMDDF-GFCCVEGCSA-N 1 0 330.428 3.960 50 0 EHAARO O=C(NCc1cccc(Cl)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069385626 215396614 /nfs/dbraw/zinc/39/66/14/215396614.db2.gz PNNGRGWCWSXMLK-GOSISDBHSA-N 1 0 328.843 3.621 50 0 EHAARO C[C@@H](SCc1ccccc1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000040141913 213272319 /nfs/dbraw/zinc/27/23/19/213272319.db2.gz YSXYSFVUGHAGII-RHSMWYFYSA-N 1 0 348.537 3.789 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cccc1F)Cc1ccccc1 ZINC000040092320 213262706 /nfs/dbraw/zinc/26/27/06/213262706.db2.gz GWWCZJJFDQCIJW-INIZCTEOSA-N 1 0 346.421 3.648 50 0 EHAARO CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000040088697 213261329 /nfs/dbraw/zinc/26/13/29/213261329.db2.gz SQBIKADVXWSLIO-SNVBAGLBSA-N 1 0 340.221 3.714 50 0 EHAARO Cc1ccccc1NC(=S)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000040071332 213257927 /nfs/dbraw/zinc/25/79/27/213257927.db2.gz BQEBHBOHYUFNBJ-INIZCTEOSA-N 1 0 339.508 3.728 50 0 EHAARO Cc1cc2occ(CC(=O)NC3CC[NH+](C)CC3)c2cc1C(C)C ZINC000039979654 213247990 /nfs/dbraw/zinc/24/79/90/213247990.db2.gz BZUREUFXLIENJM-UHFFFAOYSA-N 1 0 328.456 3.618 50 0 EHAARO CCOC(=O)C1CC[NH+](Cc2cncc(-c3ccccc3C)c2)CC1 ZINC000037554175 213156266 /nfs/dbraw/zinc/15/62/66/213156266.db2.gz LNMFXGDEZDFKDW-UHFFFAOYSA-N 1 0 338.451 3.832 50 0 EHAARO CCOc1ccc(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036847555 213122284 /nfs/dbraw/zinc/12/22/84/213122284.db2.gz OHQMANMYSVAPKK-LSDHHAIUSA-N 1 0 335.517 3.635 50 0 EHAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=S)NCc1ccccc1 ZINC000036847611 213123178 /nfs/dbraw/zinc/12/31/78/213123178.db2.gz CDPKTERKXWHZAM-UHFFFAOYSA-N 1 0 341.524 3.691 50 0 EHAARO Cc1ccc(-c2csc3[nH]c(C[NH2+]C(C)C)nc(=O)c23)cc1C ZINC000036154222 213074996 /nfs/dbraw/zinc/07/49/96/213074996.db2.gz BOAFZDPQQHBVLK-UHFFFAOYSA-N 1 0 327.453 3.766 50 0 EHAARO Cc1ccc(C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)cc1 ZINC000036101855 213067922 /nfs/dbraw/zinc/06/79/22/213067922.db2.gz ATQUHNJEYULNQH-NRFANRHFSA-N 1 0 325.452 3.537 50 0 EHAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(C)c2)C(C)C)cc1 ZINC000036098729 213066042 /nfs/dbraw/zinc/06/60/42/213066042.db2.gz GASDMDHTFCMKKC-IBGZPJMESA-N 1 0 343.467 3.654 50 0 EHAARO O[C@H](COc1ccccc1)C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000035672092 213045418 /nfs/dbraw/zinc/04/54/18/213045418.db2.gz MBDWWTCEBPGKAA-IBGZPJMESA-N 1 0 337.419 3.722 50 0 EHAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072141912 216027105 /nfs/dbraw/zinc/02/71/05/216027105.db2.gz MUYLAWZHTAJNHB-GOSISDBHSA-N 1 0 326.440 3.705 50 0 EHAARO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)cc1 ZINC000072147066 216034014 /nfs/dbraw/zinc/03/40/14/216034014.db2.gz SBRZBLFOMXRDIB-IBGZPJMESA-N 1 0 331.504 3.557 50 0 EHAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000072158457 216048550 /nfs/dbraw/zinc/04/85/50/216048550.db2.gz VCUQGJVJALGQNA-SFHVURJKSA-N 1 0 348.450 3.514 50 0 EHAARO C[NH+](C)CCNc1cc(-c2ccc(O)c(Cl)c2)c2cc[nH]c2n1 ZINC000072165699 216054766 /nfs/dbraw/zinc/05/47/66/216054766.db2.gz SJVCKDBDSOAQCS-UHFFFAOYSA-N 1 0 330.819 3.562 50 0 EHAARO Cc1ncc(C(=O)N(C)CC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000072478602 216256956 /nfs/dbraw/zinc/25/69/56/216256956.db2.gz UXBQISLQWWWKPF-UHFFFAOYSA-N 1 0 335.517 3.712 50 0 EHAARO COc1ccc(C[C@H]2[NH2+]CCc3c4cc(F)ccc4[nH]c32)cc1OC ZINC000026665973 212529273 /nfs/dbraw/zinc/52/92/73/212529273.db2.gz KFRJZVISBHFGQE-QGZVFWFLSA-N 1 0 340.398 3.754 50 0 EHAARO CC(C)N(CC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000022925669 212336024 /nfs/dbraw/zinc/33/60/24/212336024.db2.gz DFFSEUSDCHHYTB-HNNXBMFYSA-N 1 0 339.911 3.766 50 0 EHAARO COc1cc2c(cc1C[N@H+](C)Cc1ccnc3ccccc13)OCO2 ZINC000215023600 241102331 /nfs/dbraw/zinc/10/23/31/241102331.db2.gz GYCWFJLBCHSLCA-UHFFFAOYSA-N 1 0 336.391 3.604 50 0 EHAARO CCOC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c2cccc(OC)c12 ZINC000215269252 241117603 /nfs/dbraw/zinc/11/76/03/241117603.db2.gz CYIVPNAUVIXNMD-INIZCTEOSA-N 1 0 329.440 3.858 50 0 EHAARO Cn1ccc2ccc(C[N@H+](C)Cc3cc(-c4ccccn4)no3)cc21 ZINC000216334179 241182721 /nfs/dbraw/zinc/18/27/21/241182721.db2.gz VLMQXEFJZCBONM-UHFFFAOYSA-N 1 0 332.407 3.860 50 0 EHAARO O=C(Cc1ccccc1F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021961669 212266566 /nfs/dbraw/zinc/26/65/66/212266566.db2.gz NAKVMNCVDGFCEO-UHFFFAOYSA-N 1 0 340.442 3.671 50 0 EHAARO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000230183445 242245314 /nfs/dbraw/zinc/24/53/14/242245314.db2.gz RHEBITLETBOUKH-QAPCUYQASA-N 1 0 326.440 3.571 50 0 EHAARO Cc1cc(C)cc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000021175116 212214114 /nfs/dbraw/zinc/21/41/14/212214114.db2.gz PJWAODAVAFFZHY-UHFFFAOYSA-N 1 0 337.467 3.873 50 0 EHAARO COc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170744 212213883 /nfs/dbraw/zinc/21/38/83/212213883.db2.gz RNVQKQFLYDAFDC-LJQANCHMSA-N 1 0 344.499 3.956 50 0 EHAARO Cc1oc2ccccc2c1C[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000239807467 242963401 /nfs/dbraw/zinc/96/34/01/242963401.db2.gz CSELMUWOXAIXEG-UHFFFAOYSA-N 1 0 349.434 3.531 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000020940346 212192308 /nfs/dbraw/zinc/19/23/08/212192308.db2.gz CXWKAZJITLTODG-AOOOYVTPSA-N 1 0 340.221 3.570 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000020940352 212192097 /nfs/dbraw/zinc/19/20/97/212192097.db2.gz CXWKAZJITLTODG-UWVGGRQHSA-N 1 0 340.221 3.570 50 0 EHAARO OCC[C@@H]1CN(Cc2cccc3ccccc32)CC[N@@H+]1C1CCCC1 ZINC000020913174 212186387 /nfs/dbraw/zinc/18/63/87/212186387.db2.gz BQSBDVCJPUOWTR-OAQYLSRUSA-N 1 0 338.495 3.651 50 0 EHAARO CCc1ccc(C[N@H+](C)CCC(=O)Nc2ccc3c(c2)CCC3)nc1 ZINC000244659624 243049490 /nfs/dbraw/zinc/04/94/90/243049490.db2.gz HGAQTZGHXPCDGV-UHFFFAOYSA-N 1 0 337.467 3.593 50 0 EHAARO Cc1ccc(OCCC[NH+]2CCN(C)CC2)c(Cc2ccccc2)c1 ZINC000020639824 212158959 /nfs/dbraw/zinc/15/89/59/212158959.db2.gz HHLRJOOTBKFIGS-UHFFFAOYSA-N 1 0 338.495 3.602 50 0 EHAARO Cc1ccc(C)c(C(=O)NCC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000252484582 243779103 /nfs/dbraw/zinc/77/91/03/243779103.db2.gz FZQCYDTXDAUHSR-UHFFFAOYSA-N 1 0 346.540 3.641 50 0 EHAARO C[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1c1ccccc1 ZINC000252549728 243858113 /nfs/dbraw/zinc/85/81/13/243858113.db2.gz RTRKFVLPPZQZNX-AEOXZHQRSA-N 1 0 326.484 3.559 50 0 EHAARO Cc1ncc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)s1 ZINC000077408181 216897647 /nfs/dbraw/zinc/89/76/47/216897647.db2.gz ZNVSWLHVTDENBE-KRWDZBQOSA-N 1 0 343.496 3.881 50 0 EHAARO CC(C)Cc1cc(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)[nH]n1 ZINC000019812243 212071173 /nfs/dbraw/zinc/07/11/73/212071173.db2.gz YMGZDMZDXAWUPN-OAQYLSRUSA-N 1 0 340.515 3.705 50 0 EHAARO CC[C@H](C)[NH+]1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000019809245 212071009 /nfs/dbraw/zinc/07/10/09/212071009.db2.gz PGBLKVWWLWQLHW-SFHVURJKSA-N 1 0 336.479 3.761 50 0 EHAARO Cc1ccc(-c2n[nH]cc2CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019361922 212021153 /nfs/dbraw/zinc/02/11/53/212021153.db2.gz SSCWQQCOYSDBQR-UHFFFAOYSA-N 1 0 346.478 3.703 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]2c2ccco2)CC1 ZINC000078403390 217048625 /nfs/dbraw/zinc/04/86/25/217048625.db2.gz ZWFXEQDBRBJRSB-HOTGVXAUSA-N 1 0 339.439 3.528 50 0 EHAARO C[C@H]([NH2+]C1(CNC(=O)CC2CCCC2)CCOCC1)c1ccccc1 ZINC000079096237 217191746 /nfs/dbraw/zinc/19/17/46/217191746.db2.gz USSWGTLHQSHOMX-KRWDZBQOSA-N 1 0 344.499 3.583 50 0 EHAARO FC(F)(F)c1cccc(CN2CCC([NH2+]Cc3cc[nH]c3)CC2)c1 ZINC000086251348 217692575 /nfs/dbraw/zinc/69/25/75/217692575.db2.gz QEZWQNBWTHQKNH-UHFFFAOYSA-N 1 0 337.389 3.788 50 0 EHAARO CC(C)c1ccccc1O[C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000012383115 211363644 /nfs/dbraw/zinc/36/36/44/211363644.db2.gz NCEXPFONTQIDNO-INIZCTEOSA-N 1 0 332.488 3.566 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cc2cc(C)ccc2o1 ZINC000089948841 217894225 /nfs/dbraw/zinc/89/42/25/217894225.db2.gz UMYKZNGJNGDQOQ-BEFAXECRSA-N 1 0 340.467 3.868 50 0 EHAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1c[nH]c2ccccc12 ZINC000012300852 211337811 /nfs/dbraw/zinc/33/78/11/211337811.db2.gz SIPLNEDCLKKOIF-GOSISDBHSA-N 1 0 347.462 3.605 50 0 EHAARO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000012300168 211337455 /nfs/dbraw/zinc/33/74/55/211337455.db2.gz OEAXJKOGBOSWQW-GFCCVEGCSA-N 1 0 325.424 3.755 50 0 EHAARO C[C@@H](C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1)c1ccccc1 ZINC000012162300 211309581 /nfs/dbraw/zinc/30/95/81/211309581.db2.gz BPRWQXIAGUKSJM-KRWDZBQOSA-N 1 0 332.451 3.607 50 0 EHAARO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)o1 ZINC000012072688 211286665 /nfs/dbraw/zinc/28/66/65/211286665.db2.gz PMZYDFPJGWMWHB-OAQYLSRUSA-N 1 0 344.499 3.983 50 0 EHAARO CCCC[C@H]1C[N@H+](CCC(=O)N[C@@H](C)CC)Cc2ccccc2O1 ZINC000011870247 211261370 /nfs/dbraw/zinc/26/13/70/211261370.db2.gz MPTABDQFUILGFO-WMZOPIPTSA-N 1 0 332.488 3.745 50 0 EHAARO COc1ccc(F)cc1CN1C[C@H]2CC[C@H](C[N@H+]2CC=C(C)C)C1 ZINC000091547147 218020332 /nfs/dbraw/zinc/02/03/32/218020332.db2.gz AXCULJNMSMUCDI-QFBILLFUSA-N 1 0 332.463 3.697 50 0 EHAARO CC(=O)N1CCC([N@@H+]2CCC[C@H](CCc3ccccc3C)C2)CC1 ZINC000011839921 211254379 /nfs/dbraw/zinc/25/43/79/211254379.db2.gz ICRNHLOBZUOHMD-LJQANCHMSA-N 1 0 328.500 3.651 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)c1 ZINC000011816481 211249890 /nfs/dbraw/zinc/24/98/90/211249890.db2.gz RKPVWRWNCUMNKX-NRFANRHFSA-N 1 0 343.442 3.652 50 0 EHAARO COc1ccc([C@@H]2CN(Cc3ccc(F)cc3F)C[C@H]2[NH+](C)C)cc1 ZINC000091644180 218037495 /nfs/dbraw/zinc/03/74/95/218037495.db2.gz NKVWAAANKPGULO-AZUAARDMSA-N 1 0 346.421 3.503 50 0 EHAARO Cc1c(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)[nH]c2c1c(C)ccc2C ZINC000091807649 218069053 /nfs/dbraw/zinc/06/90/53/218069053.db2.gz AKGCKBQXDFAVMJ-HNNXBMFYSA-N 1 0 339.483 3.792 50 0 EHAARO c1cc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)ccc2[nH]1 ZINC000091871884 218081434 /nfs/dbraw/zinc/08/14/34/218081434.db2.gz GVYLNLCARRSFTA-PZJWPPBQSA-N 1 0 346.478 3.659 50 0 EHAARO C[N@@H+]1CCC[C@H]1CCn1cc(-c2cccc(Cl)c2Cl)nn1 ZINC000092037583 218108047 /nfs/dbraw/zinc/10/80/47/218108047.db2.gz JKSJISVVQODKHM-NSHDSACASA-N 1 0 325.243 3.736 50 0 EHAARO C[C@H]([NH2+]C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000010383883 211168630 /nfs/dbraw/zinc/16/86/30/211168630.db2.gz BBNIUQHMXMTCJF-CQARLRABSA-N 1 0 343.511 3.931 50 0 EHAARO Cc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000010110570 211148292 /nfs/dbraw/zinc/14/82/92/211148292.db2.gz GLERYIWEPDAKAA-UHFFFAOYSA-N 1 0 336.479 3.953 50 0 EHAARO CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009942772 211134361 /nfs/dbraw/zinc/13/43/61/211134361.db2.gz NSSNYFZHJPNAEB-UHFFFAOYSA-N 1 0 328.460 3.952 50 0 EHAARO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1Cl ZINC000009305652 211063142 /nfs/dbraw/zinc/06/31/42/211063142.db2.gz HGZNFTWAKJSZJA-OAHLLOKOSA-N 1 0 348.830 3.509 50 0 EHAARO Cc1nc(-c2ccccc2)nc(SCCC[NH+](C)C)c1[C@@H](C)O ZINC000009305474 211063000 /nfs/dbraw/zinc/06/30/00/211063000.db2.gz ONXBIKGNBOQNIC-CQSZACIVSA-N 1 0 331.485 3.549 50 0 EHAARO COCCC[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000095370857 218303634 /nfs/dbraw/zinc/30/36/34/218303634.db2.gz BIKFWCSLXPOSKM-HXUWFJFHSA-N 1 0 344.499 3.704 50 0 EHAARO COc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000008917443 211018758 /nfs/dbraw/zinc/01/87/58/211018758.db2.gz MSKWVSOPSRZUTG-HXUWFJFHSA-N 1 0 338.451 3.652 50 0 biogenic EHAARO CCc1cc(NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ncn1 ZINC000095390923 218322313 /nfs/dbraw/zinc/32/23/13/218322313.db2.gz SEWMCQCPCLJOSF-QGZVFWFLSA-N 1 0 330.863 3.941 50 0 EHAARO COc1cc([C@@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)ccc1OCCO ZINC000095420776 218362002 /nfs/dbraw/zinc/36/20/02/218362002.db2.gz DUEFZCIFQLOCAY-BEFAXECRSA-N 1 0 341.451 3.713 50 0 EHAARO COc1cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)ccc1SC ZINC000095421334 218362845 /nfs/dbraw/zinc/36/28/45/218362845.db2.gz QTUWBLSEZOJHGT-YPMHNXCESA-N 1 0 348.434 3.704 50 0 EHAARO C[C@H](C[NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC000095423491 218366182 /nfs/dbraw/zinc/36/61/82/218366182.db2.gz LKXPUTDEIBULIA-CQSZACIVSA-N 1 0 331.410 3.722 50 0 EHAARO CCOc1cc(C)ccc1C[NH2+]C1CCN(Cc2cscn2)CC1 ZINC000095423742 218366241 /nfs/dbraw/zinc/36/62/41/218366241.db2.gz IATYBDQZCPKRGL-UHFFFAOYSA-N 1 0 345.512 3.604 50 0 EHAARO COc1ccc(NC(C)=O)cc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000095990445 218497749 /nfs/dbraw/zinc/49/77/49/218497749.db2.gz XMDSYEPRGCTFQE-UHFFFAOYSA-N 1 0 345.487 3.863 50 0 EHAARO O=C(Nc1cccc(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006742648 210697311 /nfs/dbraw/zinc/69/73/11/210697311.db2.gz KZHBSQMIYHCPDG-UHFFFAOYSA-N 1 0 327.403 3.612 50 0 EHAARO CSCc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000096434828 218812805 /nfs/dbraw/zinc/81/28/05/218812805.db2.gz SNMIHMCXKQXOQA-ALOPSCKCSA-N 1 0 333.501 3.686 50 0 EHAARO CC(C)[NH+]1CCC(NC(=S)Nc2ccc(F)c(Cl)c2)CC1 ZINC000005061194 210380545 /nfs/dbraw/zinc/38/05/45/210380545.db2.gz PCCQYUMGFXFXNH-UHFFFAOYSA-N 1 0 329.872 3.638 50 0 EHAARO Cc1ccc(SC2CCN(C(=O)[C@@H]3CCCCC[N@H+]3C)CC2)cc1 ZINC000097294931 219010206 /nfs/dbraw/zinc/01/02/06/219010206.db2.gz OWJXCXPYVQASCJ-IBGZPJMESA-N 1 0 346.540 3.953 50 0 EHAARO Cc1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1C ZINC000004747930 210268337 /nfs/dbraw/zinc/26/83/37/210268337.db2.gz XGQWIMJEPZWURZ-UHFFFAOYSA-N 1 0 338.480 3.727 50 0 EHAARO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccccc1Oc1ccccc1F ZINC000299771747 258084114 /nfs/dbraw/zinc/08/41/14/258084114.db2.gz XFAYVRLJCLTQEE-AWEZNQCLSA-N 1 0 343.402 3.963 50 0 EHAARO COc1cccc([C@H]2CC[N@@H+]2CCC(=O)NC2CCCCCC2)c1 ZINC000299776617 258086971 /nfs/dbraw/zinc/08/69/71/258086971.db2.gz AOOOGPQSFIRIAC-LJQANCHMSA-N 1 0 330.472 3.671 50 0 EHAARO c1ccc(C2CCC([NH+]3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC000004553818 258051038 /nfs/dbraw/zinc/05/10/38/258051038.db2.gz GABOILKUAOYXKH-UHFFFAOYSA-N 1 0 328.500 3.509 50 0 EHAARO C[N@H+](Cc1ccc2nsnc2c1)Cc1ccccc1Cn1cccn1 ZINC000215969363 258072342 /nfs/dbraw/zinc/07/23/42/258072342.db2.gz KPIVXWSZKYEYDW-UHFFFAOYSA-N 1 0 349.463 3.568 50 0 EHAARO Cc1cc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)ccn1 ZINC000299768531 258082562 /nfs/dbraw/zinc/08/25/62/258082562.db2.gz XYDPHCNQAJDMHK-HBMCJLEFSA-N 1 0 349.478 3.574 50 0 EHAARO Cc1ccccc1N1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000055180350 132194472 /nfs/dbraw/zinc/19/44/72/132194472.db2.gz SIDCYYAODNDMQE-UHFFFAOYSA-N 1 0 330.859 3.849 50 0 EHAARO Cc1ccc(OCCOCC[NH+]2CCCCC2)c(Br)c1 ZINC000003003212 525425460 /nfs/dbraw/zinc/42/54/60/525425460.db2.gz GLNRDJYTPSEJAD-UHFFFAOYSA-N 1 0 342.277 3.639 50 0 EHAARO CCN(C(=O)[C@H](C)OCC(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000229687315 535692362 /nfs/dbraw/zinc/69/23/62/535692362.db2.gz LZVFHDBCMJLOFT-BJLQDIEVSA-N 1 0 346.515 3.732 50 0 EHAARO C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Br)s1 ZINC000095968104 564143149 /nfs/dbraw/zinc/14/31/49/564143149.db2.gz LHAWZDWMQFUVFL-XLFHBGCDSA-N 1 0 338.336 3.708 50 0 EHAARO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000089869565 564114600 /nfs/dbraw/zinc/11/46/00/564114600.db2.gz QFHASRKKRALPAP-LBPRGKRZSA-N 1 0 347.286 3.559 50 0 EHAARO CCOC(=O)c1c2cc(OC)ccc2oc1C[NH+]1CCC(C)CC1 ZINC000000032531 563211787 /nfs/dbraw/zinc/21/17/87/563211787.db2.gz GFUXOVBMILUFAI-UHFFFAOYSA-N 1 0 331.412 3.850 50 0 EHAARO Clc1ccc(-c2noc(CSC3=[NH+]C[C@H]4CCC[C@@H]4N3)n2)cc1 ZINC000000137818 563241215 /nfs/dbraw/zinc/24/12/15/563241215.db2.gz SFJSSMLTPZMPFS-YPMHNXCESA-N 1 0 348.859 3.751 50 0 EHAARO O=C(O[C@H]1C[NH+]2CCC1CC2)C1c2ccccc2Oc2ccccc21 ZINC000000534282 563343411 /nfs/dbraw/zinc/34/34/11/563343411.db2.gz DAIWBMZPSVQRCH-IBGZPJMESA-N 1 0 335.403 3.562 50 0 EHAARO Cc1nn2c(nc(C(C)C)cc2NCC[NH+](C)C)c1-c1ccccc1 ZINC000002338439 563429719 /nfs/dbraw/zinc/42/97/19/563429719.db2.gz UDPCDECXVVCNPQ-UHFFFAOYSA-N 1 0 337.471 3.802 50 0 EHAARO c1ccc2c(c1)CC[N@@H+](CCOCCOc1ccc3c(c1)CCC3)C2 ZINC000002844416 563454905 /nfs/dbraw/zinc/45/49/05/563454905.db2.gz UYIFFLZMAAHRNS-UHFFFAOYSA-N 1 0 337.463 3.629 50 0 EHAARO CC(=O)Nc1cccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000071907832 563570330 /nfs/dbraw/zinc/57/03/30/563570330.db2.gz ITDXFUYZDCJZJF-NRFANRHFSA-N 1 0 338.451 3.517 50 0 EHAARO O[C@@H](C[NH2+]Cc1ccccc1)Cn1c2ccccc2c2c1CCCC2 ZINC000006534157 563571578 /nfs/dbraw/zinc/57/15/78/563571578.db2.gz DRGXYEACPYEKIE-SFHVURJKSA-N 1 0 334.463 3.671 50 0 EHAARO CC(C)c1ccccc1OC[C@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000002694382 563601997 /nfs/dbraw/zinc/60/19/97/563601997.db2.gz IPTUVWGSQJSMDQ-QGZVFWFLSA-N 1 0 349.515 3.564 50 0 EHAARO O=C(Nc1ccccc1Cc1ccccc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071920155 563623963 /nfs/dbraw/zinc/62/39/63/563623963.db2.gz OCPXUMRFNFSXRD-HXUWFJFHSA-N 1 0 349.478 3.979 50 0 EHAARO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c(C)o1 ZINC000012592277 563664242 /nfs/dbraw/zinc/66/42/42/563664242.db2.gz GSBWFPRIKGXNCS-LJQANCHMSA-N 1 0 340.467 3.723 50 0 EHAARO COc1ccccc1NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012972214 563679667 /nfs/dbraw/zinc/67/96/67/563679667.db2.gz XCGCHOYHSOAYIB-GOSISDBHSA-N 1 0 339.439 3.654 50 0 EHAARO Cc1ccc2nc(C[N@@H+](C)[C@H](C)c3cc4ccccc4o3)cc(=O)n2c1 ZINC000032754475 563727960 /nfs/dbraw/zinc/72/79/60/563727960.db2.gz VONDXKMESZYRJS-OAHLLOKOSA-N 1 0 347.418 3.942 50 0 EHAARO Cc1ccc2c(CC(=O)NC3CC[NH+](C(C)C)CC3)coc2c1C ZINC000014189319 563748851 /nfs/dbraw/zinc/74/88/51/563748851.db2.gz LGXRMUKOADNFEL-UHFFFAOYSA-N 1 0 328.456 3.581 50 0 EHAARO CC(C)=CC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000014970745 563769100 /nfs/dbraw/zinc/76/91/00/563769100.db2.gz JAPAABYCZCVHQN-QGZVFWFLSA-N 1 0 332.463 3.505 50 0 EHAARO CC1CC[NH+](Cc2nnc(-c3ccc(Br)cc3)o2)CC1 ZINC000015378713 563783905 /nfs/dbraw/zinc/78/39/05/563783905.db2.gz ILQSVFZEKXALDW-UHFFFAOYSA-N 1 0 336.233 3.731 50 0 EHAARO CC(C)(CNC(=O)c1ccc(F)cc1F)[N@@H+]1CCc2ccccc2C1 ZINC000025461184 563885101 /nfs/dbraw/zinc/88/51/01/563885101.db2.gz MSHIOWPWNMHOJA-UHFFFAOYSA-N 1 0 344.405 3.532 50 0 EHAARO C[C@@H]([NH2+]Cc1csc(Cc2ccccc2)n1)[C@@H](C)n1cccn1 ZINC000069951927 563891088 /nfs/dbraw/zinc/89/10/88/563891088.db2.gz JEGLGKXRZNACPT-HUUCEWRRSA-N 1 0 326.469 3.670 50 0 EHAARO COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000027793184 563899544 /nfs/dbraw/zinc/89/95/44/563899544.db2.gz KQEVVYFYVBOLIT-HXUWFJFHSA-N 1 0 338.451 3.571 50 0 biogenic EHAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000028289277 563902015 /nfs/dbraw/zinc/90/20/15/563902015.db2.gz DJOCRFPYVIQHGY-LJQANCHMSA-N 1 0 340.467 3.817 50 0 EHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000000304489 563905967 /nfs/dbraw/zinc/90/59/67/563905967.db2.gz VYPFDYRUTSDYJG-UHFFFAOYSA-N 1 0 328.843 3.734 50 0 EHAARO COc1ccc(-c2noc(C[N@H+](C)C3CCCCCC3)n2)cc1OC ZINC000029598995 563907602 /nfs/dbraw/zinc/90/76/02/563907602.db2.gz AHZBGJCDLRCJST-UHFFFAOYSA-N 1 0 345.443 3.908 50 0 EHAARO O=C(NCc1ccc(Cl)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000029656807 563907881 /nfs/dbraw/zinc/90/78/81/563907881.db2.gz BXPMISIJQUERMD-MRXNPFEDSA-N 1 0 347.846 3.569 50 0 EHAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(Br)cs1 ZINC000072298422 563912422 /nfs/dbraw/zinc/91/24/22/563912422.db2.gz RKOPPLBPBSFRHI-CYBMUJFWSA-N 1 0 340.290 3.894 50 0 EHAARO Cc1c2cc(F)ccc2sc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069875598 563935380 /nfs/dbraw/zinc/93/53/80/563935380.db2.gz XSANXWDPKNMGBH-GFCCVEGCSA-N 1 0 332.444 3.563 50 0 EHAARO COc1ccc(CCC2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)cc1 ZINC000058083628 563937322 /nfs/dbraw/zinc/93/73/22/563937322.db2.gz KUBPJOHQUCBDAO-QGZVFWFLSA-N 1 0 346.515 3.501 50 0 EHAARO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000058160855 563938413 /nfs/dbraw/zinc/93/84/13/563938413.db2.gz SYJZCULFYPVLII-VIFPVBQESA-N 1 0 326.293 3.532 50 0 EHAARO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000058162632 563938507 /nfs/dbraw/zinc/93/85/07/563938507.db2.gz OHGBRECXGWPHTM-GFCCVEGCSA-N 1 0 329.366 3.559 50 0 EHAARO CCOc1ccccc1NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058369901 563944041 /nfs/dbraw/zinc/94/40/41/563944041.db2.gz UTJTUYYUZBDINL-XHSDSOJGSA-N 1 0 333.476 3.573 50 0 EHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ccc(C)cc2C)s1 ZINC000058420642 563945671 /nfs/dbraw/zinc/94/56/71/563945671.db2.gz IEPVRUQQAQNLFO-OAHLLOKOSA-N 1 0 343.496 3.641 50 0 EHAARO Cc1cc(C(=O)CN2CCC(n3cccc3)CC2)c(C)n1C1CC1 ZINC000058984895 563947529 /nfs/dbraw/zinc/94/75/29/563947529.db2.gz RVQUMVVHVLTDAV-UHFFFAOYSA-N 1 0 325.456 3.761 50 0 EHAARO C[NH+]1CCC(NC(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000061497289 563950620 /nfs/dbraw/zinc/95/06/20/563950620.db2.gz YHQZKFLIWGJRBS-UHFFFAOYSA-N 1 0 340.492 3.803 50 0 EHAARO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)nc2)[C@@H]1c1cccs1 ZINC000096423086 563951781 /nfs/dbraw/zinc/95/17/81/563951781.db2.gz VEZHBPAPBRQEEP-BLLLJJGKSA-N 1 0 349.887 3.609 50 0 EHAARO O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000096426729 563952084 /nfs/dbraw/zinc/95/20/84/563952084.db2.gz XGFUKUALVNQHMV-HINLZNOGSA-N 1 0 330.516 3.537 50 0 EHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1cc(=O)c2ccccc2o1 ZINC000065370956 563958410 /nfs/dbraw/zinc/95/84/10/563958410.db2.gz RUYWRJDXHLJBER-UHFFFAOYSA-N 1 0 344.374 3.622 50 0 EHAARO Cc1cn2c(-c3nc(C4CC4)nn3-c3cc[nH+]cc3C)csc2n1 ZINC000065372981 563958628 /nfs/dbraw/zinc/95/86/28/563958628.db2.gz AAJNYRIYLGBJSH-UHFFFAOYSA-N 1 0 336.424 3.533 50 0 EHAARO CC(C)(C)n1cc(C2=CC[N@H+](Cc3ccc4c(c3)OCO4)CC2)cn1 ZINC000065406354 563960217 /nfs/dbraw/zinc/96/02/17/563960217.db2.gz AEDQHUWUMAOXRQ-UHFFFAOYSA-N 1 0 339.439 3.656 50 0 EHAARO C[C@@H](c1ccc(-c2ccc3cc[nH]c(=O)c3c2)cc1)[NH+]1CCOCC1 ZINC000065429302 563960867 /nfs/dbraw/zinc/96/08/67/563960867.db2.gz CDAVERRQIONXAY-HNNXBMFYSA-N 1 0 334.419 3.588 50 0 EHAARO CC[N@@H+]1CCC[C@H](c2nccn2-c2ccc3nc(C)sc3c2)C1 ZINC000065466393 563961263 /nfs/dbraw/zinc/96/12/63/563961263.db2.gz VGWGFAMQUPVLPV-AWEZNQCLSA-N 1 0 326.469 3.990 50 0 EHAARO CCNc1ncc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)cn1 ZINC000071552120 563964582 /nfs/dbraw/zinc/96/45/82/563964582.db2.gz LEOTWUYLBGQMGF-MRXNPFEDSA-N 1 0 342.462 3.892 50 0 EHAARO CC(C)[C@H]1CN(Cc2ccc(O)c(Cl)c2)CCC[N@@H+]1CC1CC1 ZINC000071721287 563964809 /nfs/dbraw/zinc/96/48/09/563964809.db2.gz CYJPZVRURVGRHE-GOSISDBHSA-N 1 0 336.907 3.988 50 0 EHAARO COc1cc(O)ccc1-c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071764945 563965463 /nfs/dbraw/zinc/96/54/63/563965463.db2.gz LUQGDKMCKKRHIX-QGZVFWFLSA-N 1 0 349.434 3.711 50 0 EHAARO COc1ccc([C@@H]2C[N@H+](CC=C(C)C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071771539 563965636 /nfs/dbraw/zinc/96/56/36/563965636.db2.gz VOKKFKBUJHMIQZ-PWRODBHTSA-N 1 0 326.484 3.523 50 0 EHAARO COc1cc(O)ccc1-c1nccn1C[C@H](c1cccs1)[NH+](C)C ZINC000077380086 563969340 /nfs/dbraw/zinc/96/93/40/563969340.db2.gz BTXPIGUUJGNPSD-OAHLLOKOSA-N 1 0 343.452 3.629 50 0 EHAARO c1[nH]c(CC2CCCC2)nc1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077505508 563970073 /nfs/dbraw/zinc/97/00/73/563970073.db2.gz GRZRUDPRBVEAHF-HXUWFJFHSA-N 1 0 344.547 3.983 50 0 EHAARO C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1cccnc1 ZINC000097038075 563971289 /nfs/dbraw/zinc/97/12/89/563971289.db2.gz OLABQPSSDSFUMP-ZACQAIPSSA-N 1 0 325.456 3.864 50 0 EHAARO CC(=O)Nc1ccc(-n2ccnc2-c2cc(C[NH+](C)C)cs2)cc1 ZINC000082127086 563972565 /nfs/dbraw/zinc/97/25/65/563972565.db2.gz XSWBFGZTVFINPD-UHFFFAOYSA-N 1 0 340.452 3.621 50 0 EHAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000082147405 563972695 /nfs/dbraw/zinc/97/26/95/563972695.db2.gz ZRSUIMKFHNWNNI-CYBMUJFWSA-N 1 0 341.352 3.958 50 0 EHAARO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000060722311 563973840 /nfs/dbraw/zinc/97/38/40/563973840.db2.gz HWKYAZIXSGNSND-SFTDATJTSA-N 1 0 334.463 3.639 50 0 EHAARO COCCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000091620830 563975613 /nfs/dbraw/zinc/97/56/13/563975613.db2.gz RCHRVJQRBDPCAV-ZDUSSCGKSA-N 1 0 339.892 3.624 50 0 EHAARO c1coc(C[NH+]2CCC(c3nc(-c4ccc5nc[nH]c5c4)no3)CC2)c1 ZINC000096152251 563979674 /nfs/dbraw/zinc/97/96/74/563979674.db2.gz CMNQYLDNAADYFW-UHFFFAOYSA-N 1 0 349.394 3.586 50 0 EHAARO COc1ncc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)c(OC)n1 ZINC000096161798 563979842 /nfs/dbraw/zinc/97/98/42/563979842.db2.gz FOGHGDKDJQFJJI-CQSZACIVSA-N 1 0 327.428 3.708 50 0 EHAARO CC(C)c1ccc([C@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1 ZINC000000182333 563987962 /nfs/dbraw/zinc/98/79/62/563987962.db2.gz GRYURVYERZABFR-LJQANCHMSA-N 1 0 332.513 3.870 50 0 EHAARO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000000317179 563991037 /nfs/dbraw/zinc/99/10/37/563991037.db2.gz FWZRTCFAGXEQEC-UHFFFAOYSA-N 1 0 344.499 3.556 50 0 EHAARO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000000317604 563991056 /nfs/dbraw/zinc/99/10/56/563991056.db2.gz OMTLHRGMLAOFLA-HNNXBMFYSA-N 1 0 334.891 3.811 50 0 EHAARO FC(F)(F)CCN1CCC([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)CC1 ZINC000221356201 563991830 /nfs/dbraw/zinc/99/18/30/563991830.db2.gz AIRULEAUJCSPQS-KSZLIROESA-N 1 0 338.417 3.579 50 0 EHAARO C[C@H](C(=O)N1CCC(OC2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000408513556 563992740 /nfs/dbraw/zinc/99/27/40/563992740.db2.gz GPWSWKHNXRSPFY-JXFKEZNVSA-N 1 0 344.499 3.663 50 0 EHAARO O=C(CC1CC[NH2+]CC1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000237794968 563993796 /nfs/dbraw/zinc/99/37/96/563993796.db2.gz QCEPFZSEHGOYST-SFHVURJKSA-N 1 0 348.899 3.997 50 0 EHAARO CC(C)n1nccc1NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000247982350 563994971 /nfs/dbraw/zinc/99/49/71/563994971.db2.gz HKMPGEWKGJRCRY-KGLIPLIRSA-N 1 0 332.473 3.690 50 0 EHAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000155172975 563995526 /nfs/dbraw/zinc/99/55/26/563995526.db2.gz CLNYOVWFOQANHQ-LJQANCHMSA-N 1 0 334.423 3.817 50 0 EHAARO O[C@@H]1c2ccc(-c3ccc(F)c(F)c3)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426604694 563996381 /nfs/dbraw/zinc/99/63/81/563996381.db2.gz ZEMJDKBIEJLCDS-IEBWSBKVSA-N 1 0 331.362 3.522 50 0 EHAARO CCc1[nH+]c2ccccc2c(N2CCC[C@@H](c3nncn3C)C2)c1C ZINC000253420079 563999242 /nfs/dbraw/zinc/99/92/42/563999242.db2.gz WLHHXZFFWDIXKZ-OAHLLOKOSA-N 1 0 335.455 3.618 50 0 EHAARO O=C1Nc2ccc(F)cc2[C@]12CC[NH2+][C@@H]2c1ccc(F)c(Cl)c1 ZINC000061718724 564000416 /nfs/dbraw/zinc/00/04/16/564000416.db2.gz SFSASMOUQJJOHM-WBVHZDCISA-N 1 0 334.753 3.543 50 0 EHAARO O[C@@]1(C(F)(F)F)C2=C(CCCC2)[NH2+]N1c1nc2ccccc2s1 ZINC000005274985 564002295 /nfs/dbraw/zinc/00/22/95/564002295.db2.gz DXHUCYNUIKPWCU-LKFCYVNXSA-N 1 0 341.358 3.913 50 0 EHAARO COc1ccccc1NC(=O)O[C@@H]1CCN2Cc3ccccc3N=C12 ZINC000000485792 564016987 /nfs/dbraw/zinc/01/69/87/564016987.db2.gz DPIBURXPGDTABM-QGZVFWFLSA-N 1 0 337.379 3.562 50 0 biogenic EHAARO Clc1cc(Cl)cc(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000044601514 564027029 /nfs/dbraw/zinc/02/70/29/564027029.db2.gz ZLJFIBLTGLMFMO-UHFFFAOYSA-N 1 0 337.254 3.542 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)C1CCCCC1 ZINC000045830679 564028713 /nfs/dbraw/zinc/02/87/13/564028713.db2.gz VKOIJZWTXRPVDP-HXUWFJFHSA-N 1 0 341.499 3.727 50 0 EHAARO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000048332168 564031169 /nfs/dbraw/zinc/03/11/69/564031169.db2.gz PCIQLWHHEKIWNU-MRXNPFEDSA-N 1 0 349.381 3.712 50 0 EHAARO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cccc(Cl)c3)cn2)n1 ZINC000048742444 564032132 /nfs/dbraw/zinc/03/21/32/564032132.db2.gz RFBJSZFDPCZZIK-UHFFFAOYSA-N 1 0 326.831 3.827 50 0 EHAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000000819309 564035216 /nfs/dbraw/zinc/03/52/16/564035216.db2.gz NQJCTTFDLSHAJW-UHFFFAOYSA-N 1 0 336.479 3.832 50 0 EHAARO Nc1ccc(F)c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000081647703 564035980 /nfs/dbraw/zinc/03/59/80/564035980.db2.gz QEKIIIXUSZKACX-GOSISDBHSA-N 1 0 345.393 3.713 50 0 EHAARO CC[C@@H](C)[NH2+][C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014989483 564051160 /nfs/dbraw/zinc/05/11/60/564051160.db2.gz LBAWGNYBAXPYOM-WBVHZDCISA-N 1 0 326.488 3.994 50 0 EHAARO O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000238014105 564051496 /nfs/dbraw/zinc/05/14/96/564051496.db2.gz UFGPAUUQJBQULD-OAQYLSRUSA-N 1 0 348.490 3.715 50 0 EHAARO C[N@@H+](CC(=O)Nc1ccccc1OC(F)F)CC1CCCCC1 ZINC000012552787 564059216 /nfs/dbraw/zinc/05/92/16/564059216.db2.gz LEBFILXXDJYNSN-UHFFFAOYSA-N 1 0 326.387 3.739 50 0 EHAARO CC[C@H](CNC(=O)N1CCC(Sc2cccc(C)c2)CC1)[NH+](C)C ZINC000534649846 564061519 /nfs/dbraw/zinc/06/15/19/564061519.db2.gz MOAKBJONYYXUPM-MRXNPFEDSA-N 1 0 349.544 3.601 50 0 EHAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@@H+](C1CCCC1)C2 ZINC000012702106 564063473 /nfs/dbraw/zinc/06/34/73/564063473.db2.gz UCTOADRYIAOYMV-HXUWFJFHSA-N 1 0 348.437 3.722 50 0 EHAARO C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2SCc2ccsc2)C1 ZINC000083877844 564064146 /nfs/dbraw/zinc/06/41/46/564064146.db2.gz CHLHVOLLEVJOIO-HNNXBMFYSA-N 1 0 346.521 3.864 50 0 EHAARO C[C@@H](CNc1nc(C(F)(F)F)nc2ccccc21)C[NH+]1CCCC1 ZINC000084640107 564069306 /nfs/dbraw/zinc/06/93/06/564069306.db2.gz MAJBDWLNRRIKML-LBPRGKRZSA-N 1 0 338.377 3.792 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(Cc3nc4ccccc4o3)C2)CC1 ZINC000084699931 564069738 /nfs/dbraw/zinc/06/97/38/564069738.db2.gz RYLCKQNJOTXJON-KRWDZBQOSA-N 1 0 327.472 3.772 50 0 EHAARO COc1cc(NC2CC[NH+](CCC(F)(F)F)CC2)cc(OC)c1 ZINC000085869324 564075142 /nfs/dbraw/zinc/07/51/42/564075142.db2.gz VEIJGGSVZSXGKO-UHFFFAOYSA-N 1 0 332.366 3.533 50 0 EHAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)[C@H](C)C1 ZINC000078897711 564075193 /nfs/dbraw/zinc/07/51/93/564075193.db2.gz AWHQVURPPNRHPK-CJNGLKHVSA-N 1 0 342.405 3.688 50 0 EHAARO C[NH+](C)CCCOc1cccc2c(N)c(C(=O)c3ccccc3)oc21 ZINC000039006311 564076154 /nfs/dbraw/zinc/07/61/54/564076154.db2.gz LPOGLDFCOVWXRI-UHFFFAOYSA-N 1 0 338.407 3.577 50 0 EHAARO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cnc2ccccc2c1 ZINC000096179498 564076260 /nfs/dbraw/zinc/07/62/60/564076260.db2.gz QUBNTZOVUQHMTF-OAHLLOKOSA-N 1 0 341.455 3.676 50 0 EHAARO CCc1ccc([C@H](CNC(=O)Nc2ccccc2F)[NH+](C)C)cc1 ZINC000012895439 564077670 /nfs/dbraw/zinc/07/76/70/564077670.db2.gz YDWFSRSDHGJQEC-SFHVURJKSA-N 1 0 329.419 3.813 50 0 EHAARO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)CC[C@@H]2CCC[C@H](C)C2)c1 ZINC000089103618 564079867 /nfs/dbraw/zinc/07/98/67/564079867.db2.gz INSWXKITTAQLFV-RDJZCZTQSA-N 1 0 345.487 3.732 50 0 EHAARO Cc1ccc([C@@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)Cc2cccs2)s1 ZINC000075108240 564080207 /nfs/dbraw/zinc/08/02/07/564080207.db2.gz NWSTVOAQXXPSFX-CVEARBPZSA-N 1 0 348.537 3.812 50 0 EHAARO Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC000575615338 564083408 /nfs/dbraw/zinc/08/34/08/564083408.db2.gz DBOYLTNZQAWBFC-GOSISDBHSA-N 1 0 333.435 3.669 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@H](c3cn[nH]c3)C2)c(SC)cc1OC ZINC000092809503 564089031 /nfs/dbraw/zinc/08/90/31/564089031.db2.gz WUSPBPBQVHLTRT-ZDUSSCGKSA-N 1 0 347.484 3.528 50 0 EHAARO Cc1c(Cl)c(CN2CCC[N@@H+]3CCC[C@H]3C2)nc2ccccc12 ZINC000247814538 564089244 /nfs/dbraw/zinc/08/92/44/564089244.db2.gz BXLWPJROONDENE-HNNXBMFYSA-N 1 0 329.875 3.867 50 0 EHAARO CC(C)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000064448143 564091394 /nfs/dbraw/zinc/09/13/94/564091394.db2.gz WZSNJEKDBUKGJR-UHFFFAOYSA-N 1 0 342.405 3.784 50 0 EHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000089520849 564091486 /nfs/dbraw/zinc/09/14/86/564091486.db2.gz WEILZUWHHQONEO-AWEZNQCLSA-N 1 0 338.430 3.933 50 0 EHAARO Cc1cc2[nH]c(C(=O)NCc3ccc(C)cc3)c(C[NH+](C)C)c2s1 ZINC000065147738 564101595 /nfs/dbraw/zinc/10/15/95/564101595.db2.gz ANJJYNPEHSEJPJ-UHFFFAOYSA-N 1 0 341.480 3.838 50 0 EHAARO O=C(C1CCCC1)N1CC[C@H]([NH2+][C@H](c2ccccc2)c2ccncc2)C1 ZINC000170070148 564105230 /nfs/dbraw/zinc/10/52/30/564105230.db2.gz BTZLNNULIIMHLU-LEWJYISDSA-N 1 0 349.478 3.552 50 0 EHAARO CC(C)[NH+]1CCC(N(C)CC(=O)Nc2cccc3ccccc32)CC1 ZINC000065516707 564106792 /nfs/dbraw/zinc/10/67/92/564106792.db2.gz OOODJKRNLHAIGO-UHFFFAOYSA-N 1 0 339.483 3.583 50 0 EHAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccccc1OCC1CC1)CCC2 ZINC000089702132 564113177 /nfs/dbraw/zinc/11/31/77/564113177.db2.gz RGIAROHSRVTRKL-SFHVURJKSA-N 1 0 325.456 3.648 50 0 EHAARO CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1cccc(F)c1 ZINC000089761722 564113573 /nfs/dbraw/zinc/11/35/73/564113573.db2.gz UUPXEOVNNDDDEM-GOSISDBHSA-N 1 0 332.463 3.627 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CCOCC1 ZINC000089894399 564114985 /nfs/dbraw/zinc/11/49/85/564114985.db2.gz APSAJQKDZVUVCL-MRXNPFEDSA-N 1 0 326.440 3.565 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000089948999 564115789 /nfs/dbraw/zinc/11/57/89/564115789.db2.gz FKNVUTIBYRSGPW-DYESRHJHSA-N 1 0 336.479 3.967 50 0 EHAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000089949018 564115792 /nfs/dbraw/zinc/11/57/92/564115792.db2.gz VVNGPNRCPFAMIP-RXVVDRJESA-N 1 0 344.499 3.745 50 0 EHAARO CCOc1cc(Cl)ccc1NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000089960849 564115911 /nfs/dbraw/zinc/11/59/11/564115911.db2.gz AOGDUTAUPLGFRS-ZDUSSCGKSA-N 1 0 339.867 3.544 50 0 EHAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cn3cccc(C)c3n2)cc1 ZINC000090044931 564116212 /nfs/dbraw/zinc/11/62/12/564116212.db2.gz AERIIEOVUOPCQS-MRXNPFEDSA-N 1 0 345.450 3.988 50 0 EHAARO CO[C@@H](C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C)c1ccc(F)cc1 ZINC000090177139 564116413 /nfs/dbraw/zinc/11/64/13/564116413.db2.gz KKQCHEUQNCNGEK-ACJLOTCBSA-N 1 0 342.418 3.524 50 0 EHAARO CCCOc1ccc(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000002823746 564117029 /nfs/dbraw/zinc/11/70/29/564117029.db2.gz HPPAFXHZWSOYJV-HDICACEKSA-N 1 0 335.488 3.849 50 0 EHAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000237587226 564117784 /nfs/dbraw/zinc/11/77/84/564117784.db2.gz DOGVGDJGRWJSAP-WCQYABFASA-N 1 0 329.271 3.654 50 0 EHAARO Cc1cn2c(C[NH2+]CCCN(C)c3ccccc3)c(C)nc2s1 ZINC000237078807 564117746 /nfs/dbraw/zinc/11/77/46/564117746.db2.gz DWYDFSXDPVWPNO-UHFFFAOYSA-N 1 0 328.485 3.629 50 0 EHAARO CC(C)c1ccccc1OCCOC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000252370743 564118325 /nfs/dbraw/zinc/11/83/25/564118325.db2.gz YXDQQRCSNQVCON-GUDVDZBRSA-N 1 0 349.515 3.829 50 0 EHAARO C[C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000252536177 564120547 /nfs/dbraw/zinc/12/05/47/564120547.db2.gz HTUGCFWMWWSOBB-TWKWOARYSA-N 1 0 332.463 3.604 50 0 EHAARO CCC[NH+]1CCC(NC(=O)N(CC)Cc2ccc3[nH]ccc3c2)CC1 ZINC000252538938 564120635 /nfs/dbraw/zinc/12/06/35/564120635.db2.gz NJWHVILNAMHGKB-UHFFFAOYSA-N 1 0 342.487 3.574 50 0 EHAARO CC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)c1ccc(OC2CCCC2)cc1 ZINC000170677665 564121393 /nfs/dbraw/zinc/12/13/93/564121393.db2.gz SDVGMVDVKJFBGU-MOPGFXCFSA-N 1 0 332.488 3.949 50 0 EHAARO CC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065865656 564121818 /nfs/dbraw/zinc/12/18/18/564121818.db2.gz YRCBJHKRJDWURZ-UHFFFAOYSA-N 1 0 336.435 3.740 50 0 EHAARO CCCC[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000002273335 564125603 /nfs/dbraw/zinc/12/56/03/564125603.db2.gz ZHBVPXBHHSJIMN-IRLDBZIGSA-N 1 0 337.463 3.879 50 0 EHAARO Cc1noc(C)c1[C@H](C)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000253370598 564130343 /nfs/dbraw/zinc/13/03/43/564130343.db2.gz SYUCJALZQFKSLM-VVHHDAOASA-N 1 0 339.483 3.853 50 0 EHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc2c(ccn2C)c1 ZINC000253406419 564130662 /nfs/dbraw/zinc/13/06/62/564130662.db2.gz IXJQBERGWKZQMS-AZUAARDMSA-N 1 0 339.483 3.515 50 0 biogenic EHAARO CC(C)(C)c1cnc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)s1 ZINC000253429626 564131279 /nfs/dbraw/zinc/13/12/79/564131279.db2.gz UHFWLFGXIAUDFG-LRDDRELGSA-N 1 0 326.531 3.585 50 0 EHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000225471935 564135121 /nfs/dbraw/zinc/13/51/21/564135121.db2.gz HLAQTGXCTIMJCD-MFKMUULPSA-N 1 0 349.887 3.559 50 0 EHAARO Cc1cncc(CN2CCC[C@@H]([N@H+](C)Cc3cncc(C)c3)CC2)c1 ZINC000225500929 564135590 /nfs/dbraw/zinc/13/55/90/564135590.db2.gz UQLWSEBSRRFIJI-OAQYLSRUSA-N 1 0 338.499 3.580 50 0 EHAARO Brc1ccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000007952132 564136112 /nfs/dbraw/zinc/13/61/12/564136112.db2.gz XEUIRRVEKZHCRN-NSHDSACASA-N 1 0 340.246 3.549 50 0 EHAARO Cn1cc(C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)cn1 ZINC000278869922 564139105 /nfs/dbraw/zinc/13/91/05/564139105.db2.gz OBVVDXKTPJKIIN-UHFFFAOYSA-N 1 0 347.462 3.571 50 0 EHAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1nc3ccccc3n1C(C)C)CCC2 ZINC000095402065 564139515 /nfs/dbraw/zinc/13/95/15/564139515.db2.gz BAYNFZCYWBLPKF-INIZCTEOSA-N 1 0 337.471 3.789 50 0 EHAARO Cc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)C(C)(C)C)cc1S(N)(=O)=O ZINC000095462757 564140894 /nfs/dbraw/zinc/14/08/94/564140894.db2.gz CDFDYKQYIUHOBA-RHSMWYFYSA-N 1 0 340.533 3.754 50 0 EHAARO Cc1sc2ncnc(N[C@@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)c2c1C ZINC000095467622 564141144 /nfs/dbraw/zinc/14/11/44/564141144.db2.gz LKXVICHOVBNYEP-HZPDHXFCSA-N 1 0 338.480 3.818 50 0 EHAARO C[NH+](C)CCc1ccccc1C(=O)N1CCC[C@H]1c1cccs1 ZINC000095940184 564141959 /nfs/dbraw/zinc/14/19/59/564141959.db2.gz XWAOAMWLKQFZGM-KRWDZBQOSA-N 1 0 328.481 3.830 50 0 EHAARO C[C@H](c1cccc(Cl)c1)[NH+]1CCC(C(=O)Nc2ncccn2)CC1 ZINC000095954503 564142509 /nfs/dbraw/zinc/14/25/09/564142509.db2.gz KKSFZCPEWKQVNT-CYBMUJFWSA-N 1 0 344.846 3.542 50 0 EHAARO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1nc2c(s1)CCCC2 ZINC000095988205 564144036 /nfs/dbraw/zinc/14/40/36/564144036.db2.gz RKULYURLJNUJLU-ZIAGYGMSSA-N 1 0 336.501 3.748 50 0 EHAARO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000095988245 564144072 /nfs/dbraw/zinc/14/40/72/564144072.db2.gz VSEYQCUUTWRCLS-FFZOFVMBSA-N 1 0 347.405 3.642 50 0 EHAARO C[NH+](C)Cc1cccc(CNCc2csc(-c3ccccn3)n2)c1 ZINC000096403682 564147210 /nfs/dbraw/zinc/14/72/10/564147210.db2.gz PMWDCNZJJGLSON-UHFFFAOYSA-N 1 0 338.480 3.557 50 0 EHAARO Cc1ccc(C(=O)NC2CC[NH+](CCSc3ccccc3)CC2)o1 ZINC000096410316 564147595 /nfs/dbraw/zinc/14/75/95/564147595.db2.gz FPFYIOOCGZWODV-UHFFFAOYSA-N 1 0 344.480 3.575 50 0 EHAARO Cc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c(N2CCCC2)n1 ZINC000097237439 564149582 /nfs/dbraw/zinc/14/95/82/564149582.db2.gz LJHDYGNTSDDOJL-INIZCTEOSA-N 1 0 327.476 3.618 50 0 EHAARO CC[C@@H]([NH2+]Cc1ccnc(N)c1)c1cc(F)cc(Br)c1 ZINC000225617017 564149980 /nfs/dbraw/zinc/14/99/80/564149980.db2.gz SUJWYMZVMNGFAB-CQSZACIVSA-N 1 0 338.224 3.806 50 0 EHAARO COCCN(C(=S)Nc1ccccc1C)C1CC[NH+](C(C)C)CC1 ZINC000002933476 564153101 /nfs/dbraw/zinc/15/31/01/564153101.db2.gz WHLXWWMSPLTJQY-UHFFFAOYSA-N 1 0 349.544 3.513 50 0 EHAARO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000057432087 564154287 /nfs/dbraw/zinc/15/42/87/564154287.db2.gz SRCBQPGZXAXEHF-SJLPKXTDSA-N 1 0 326.465 3.905 50 0 EHAARO C[C@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211500 564156030 /nfs/dbraw/zinc/15/60/30/564156030.db2.gz KSCYWXNRJYTFMU-WMLDXEAASA-N 1 0 335.517 3.905 50 0 EHAARO O=C(Nc1ccc(F)cc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000031090821 564158787 /nfs/dbraw/zinc/15/87/87/564158787.db2.gz UVEAQUMQFDJRPB-UHFFFAOYSA-N 1 0 333.432 3.627 50 0 EHAARO Cc1cccn2c(=O)cc(C[N@H+](C)Cc3ccc(C(C)(C)C)cc3)nc12 ZINC000008128602 564162947 /nfs/dbraw/zinc/16/29/47/564162947.db2.gz FXPWVWBHRSXWNY-UHFFFAOYSA-N 1 0 349.478 3.932 50 0 EHAARO Cc1ccc([C@@H](OC[C@H](O)C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000008156709 564163256 /nfs/dbraw/zinc/16/32/56/564163256.db2.gz ZXXQEUVMQGBVGP-YADHBBJMSA-N 1 0 339.479 3.948 50 0 EHAARO O=C(Cc1c[nH]c2ccccc12)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008406339 564165175 /nfs/dbraw/zinc/16/51/75/564165175.db2.gz QTPGYYDJUNQMDB-UHFFFAOYSA-N 1 0 347.462 3.623 50 0 EHAARO Cc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccccn2)c1 ZINC000008581574 564165856 /nfs/dbraw/zinc/16/58/56/564165856.db2.gz XYGZWRZGRPLRLS-INIZCTEOSA-N 1 0 342.512 3.712 50 0 EHAARO C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000069491468 564169923 /nfs/dbraw/zinc/16/99/23/564169923.db2.gz MXHYBCGJPJFMNM-UPJWGTAASA-N 1 0 328.378 3.583 50 0 EHAARO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2c[nH]nc2C)cc1 ZINC000069564092 564170497 /nfs/dbraw/zinc/17/04/97/564170497.db2.gz GEERWDUKRMEFQQ-HXUWFJFHSA-N 1 0 339.414 3.939 50 0 EHAARO O=C(CC[NH+]1CCC(Nc2ccccc2)CC1)Nc1ccccc1F ZINC000069700211 564171564 /nfs/dbraw/zinc/17/15/64/564171564.db2.gz PDWVCLGXLKUAEX-UHFFFAOYSA-N 1 0 341.430 3.731 50 0 EHAARO C[N@@H+]1CC[C@@H](CNC(=O)C2=CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245658574 564172243 /nfs/dbraw/zinc/17/22/43/564172243.db2.gz FEUXQEVDVYPQJI-WMLDXEAASA-N 1 0 336.838 3.698 50 0 EHAARO CCOc1ccc(Cl)cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000069978400 564173049 /nfs/dbraw/zinc/17/30/49/564173049.db2.gz PHBQAZKRVZNRBX-CYBMUJFWSA-N 1 0 339.867 3.544 50 0 EHAARO CCc1nccn1[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000071870665 564176177 /nfs/dbraw/zinc/17/61/77/564176177.db2.gz AQGJSNOFJQRHOV-OAHLLOKOSA-N 1 0 331.485 3.693 50 0 EHAARO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342807847 1032358985 /nfs/dbraw/zinc/35/89/85/1032358985.db2.gz HTPUNFVPYLRCHH-QGZVFWFLSA-N 1 0 325.387 3.748 50 0 EHAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)CC1 ZINC000169781497 1032647280 /nfs/dbraw/zinc/64/72/80/1032647280.db2.gz SCHRVDPDUUGFJM-OAHLLOKOSA-N 1 0 338.854 3.560 50 0 EHAARO c1ccc(CCC[N@@H+]2CCC[C@@H](NCc3nc4ccccc4[nH]3)C2)cc1 ZINC000020598402 1018187024 /nfs/dbraw/zinc/18/70/24/1018187024.db2.gz FXTJIOPCKONRLO-LJQANCHMSA-N 1 0 348.494 3.750 50 0 EHAARO O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000176053721 1022533939 /nfs/dbraw/zinc/53/39/39/1022533939.db2.gz ICYHUAMNBTUXFL-INIZCTEOSA-N 1 0 339.439 3.935 50 0 EHAARO CC1CC[NH+](CCOCCOc2ccccc2Br)CC1 ZINC000002953140 1027661099 /nfs/dbraw/zinc/66/10/99/1027661099.db2.gz NYMYVLUXWITKLK-UHFFFAOYSA-N 1 0 342.277 3.576 50 0 EHAARO NC(=O)C1CC[NH+](Cc2cccc(NC/C=C/c3ccccc3)c2)CC1 ZINC000095428556 1033766576 /nfs/dbraw/zinc/76/65/76/1033766576.db2.gz FIPHTSGMRHXLCO-WEVVVXLNSA-N 1 0 349.478 3.509 50 0 EHAARO Cc1ccccc1C1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000171706815 1034569912 /nfs/dbraw/zinc/56/99/12/1034569912.db2.gz KRZGVXYXAYQOSA-UHFFFAOYSA-N 1 0 341.499 3.511 50 0 EHAARO Fc1cccc(C[N@@H+]2CC[C@H](Cc3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000257195116 1038549894 /nfs/dbraw/zinc/54/98/94/1038549894.db2.gz VKMXPBWBXLJXAQ-MRXNPFEDSA-N 1 0 336.414 3.675 50 0 EHAARO C[C@@H]([NH2+]C1CCN(C)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000888098539 1043261121 /nfs/dbraw/zinc/26/11/21/1043261121.db2.gz KJDPCRSTPWEPIE-LLVKDONJSA-N 1 0 336.277 3.675 50 0 EHAARO O=C(/C=C/c1cccs1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000032763312 1122092804 /nfs/dbraw/zinc/09/28/04/1122092804.db2.gz PREHJAJYEXXTRO-KIUWMYQTSA-N 1 0 332.494 3.776 50 0 EHAARO CC[NH+](CC)[C@@H]1CCOC2(CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000581784169 1132357584 /nfs/dbraw/zinc/35/75/84/1132357584.db2.gz IQAVCHIQHYCXFO-GOSISDBHSA-N 1 0 345.487 3.574 50 0 EHAARO Cc1ccc2ncccc2c1CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000952975881 1137484566 /nfs/dbraw/zinc/48/45/66/1137484566.db2.gz UHJDATSQNYOKMG-UHFFFAOYSA-N 1 0 349.434 3.662 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1cccc(Cl)c1)c1ccccc1 ZINC000002635033 1138062222 /nfs/dbraw/zinc/06/22/22/1138062222.db2.gz FEEBVMWXLMFHPL-IENJSVCTSA-N 1 0 328.843 3.772 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1)N1CCCCCC1 ZINC000004745255 210266991 /nfs/dbraw/zinc/26/69/91/210266991.db2.gz JGFSFURNCWMKBO-QGZVFWFLSA-N 1 0 339.483 3.783 50 0 EHAARO NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000004725153 210261526 /nfs/dbraw/zinc/26/15/26/210261526.db2.gz DKTURPSYEIWYQW-UHFFFAOYSA-N 1 0 326.400 3.805 50 0 EHAARO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000052829386 214148388 /nfs/dbraw/zinc/14/83/88/214148388.db2.gz LZAUIFKKCZTABK-CYBMUJFWSA-N 1 0 345.393 3.772 50 0 EHAARO CN(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)c1cccs1 ZINC000053945850 214207861 /nfs/dbraw/zinc/20/78/61/214207861.db2.gz NQPYCGNRZPTMFQ-CYBMUJFWSA-N 1 0 332.498 3.592 50 0 EHAARO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)NC2CCCCC2)cc1 ZINC000054426292 214237923 /nfs/dbraw/zinc/23/79/23/214237923.db2.gz CRBRIOLIVZFMGU-IBGZPJMESA-N 1 0 330.472 3.671 50 0 EHAARO CCCCC(=O)Nc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000055166242 214281692 /nfs/dbraw/zinc/28/16/92/214281692.db2.gz NJTOCDAMRJYISW-MRXNPFEDSA-N 1 0 345.487 3.876 50 0 EHAARO [NH3+]CCCCCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000055212159 214289487 /nfs/dbraw/zinc/28/94/87/214289487.db2.gz DJNYAJLCJXPTAU-LJQANCHMSA-N 1 0 328.431 3.593 50 0 EHAARO C[C@H](CO)C[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055254544 214297088 /nfs/dbraw/zinc/29/70/88/214297088.db2.gz XORHCONOETYOAX-AWEZNQCLSA-N 1 0 338.373 3.731 50 0 EHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000055543216 214328677 /nfs/dbraw/zinc/32/86/77/214328677.db2.gz DNYWEYLVKVBVOX-OAHLLOKOSA-N 1 0 342.405 3.786 50 0 EHAARO CCOc1ccccc1OCC[N@H+](C)Cc1cnc2ccccc2n1 ZINC000055576229 214332060 /nfs/dbraw/zinc/33/20/60/214332060.db2.gz XMWKDIDDHPUSLN-UHFFFAOYSA-N 1 0 337.423 3.539 50 0 EHAARO COc1cccc([C@@H](C[NH2+]Cc2ccc(F)cc2)N2CCCC2)c1 ZINC000098078624 219080705 /nfs/dbraw/zinc/08/07/05/219080705.db2.gz CEWJZQZFFDAELS-HXUWFJFHSA-N 1 0 328.431 3.761 50 0 EHAARO Cc1cccc(-n2nnnc2C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000004564933 210222304 /nfs/dbraw/zinc/22/23/04/210222304.db2.gz OFHGRVRFWFSRMK-UHFFFAOYSA-N 1 0 325.460 3.616 50 0 EHAARO C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000004395605 210187975 /nfs/dbraw/zinc/18/79/75/210187975.db2.gz WZXIXPBTKATNMH-MRXNPFEDSA-N 1 0 339.464 3.714 50 0 EHAARO CC(C)CC[NH+]1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000048793174 213964690 /nfs/dbraw/zinc/96/46/90/213964690.db2.gz MNECKNYKILHFRE-UHFFFAOYSA-N 1 0 349.525 3.676 50 0 EHAARO OCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000004165267 210136873 /nfs/dbraw/zinc/13/68/73/210136873.db2.gz JBNMGEWXMZVYRD-UHFFFAOYSA-N 1 0 326.223 3.654 50 0 EHAARO CC(C)CC[C@H](CC(=O)NCCC[NH+](C)C)[C@H]1CCOC(C)(C)C1 ZINC000004086840 210115995 /nfs/dbraw/zinc/11/59/95/210115995.db2.gz CPICHSROJFREMV-MSOLQXFVSA-N 1 0 340.552 3.702 50 0 biogenic EHAARO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000066405361 215037866 /nfs/dbraw/zinc/03/78/66/215037866.db2.gz YDBVXYIKQVIIFH-NSHDSACASA-N 1 0 336.233 3.731 50 0 EHAARO C[NH+](C)CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003399606 210028597 /nfs/dbraw/zinc/02/85/97/210028597.db2.gz AOZGTCDNYKHYMB-UHFFFAOYSA-N 1 0 339.814 3.597 50 0 EHAARO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1 ZINC000003349398 210015583 /nfs/dbraw/zinc/01/55/83/210015583.db2.gz DEXXSHGSYMDIJX-HNAYVOBHSA-N 1 0 333.859 3.611 50 0 EHAARO c1ccc2c(c1)cccc2-c1n[nH]c2c1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC000067757420 215204650 /nfs/dbraw/zinc/20/46/50/215204650.db2.gz HRSSFVSRKUURKA-INIZCTEOSA-N 1 0 333.435 3.767 50 0 EHAARO O=C(NCC[C@@H]1CCC[N@H+](Cc2ccncc2)C1)Nc1ccccc1 ZINC000067805160 215218475 /nfs/dbraw/zinc/21/84/75/215218475.db2.gz LYNKPAQJKLNGBD-KRWDZBQOSA-N 1 0 338.455 3.505 50 0 EHAARO CC(C)(C)c1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)[nH]n1 ZINC000067855883 215233473 /nfs/dbraw/zinc/23/34/73/215233473.db2.gz AMMCQTMMETWFDE-LAUBAEHRSA-N 1 0 341.499 3.523 50 0 EHAARO NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000068344861 215301641 /nfs/dbraw/zinc/30/16/41/215301641.db2.gz HTBZPVVUQDLLPO-HXUWFJFHSA-N 1 0 333.435 3.574 50 0 EHAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000040002625 213249144 /nfs/dbraw/zinc/24/91/44/213249144.db2.gz SXUKTICYBXUYRJ-DLBZAZTESA-N 1 0 340.467 3.668 50 0 EHAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039408727 213236556 /nfs/dbraw/zinc/23/65/56/213236556.db2.gz BWSBEPRSVTVIBO-RTWAWAEBSA-N 1 0 328.500 3.924 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)Cc2ccccc2F)CC1 ZINC000069901288 215626491 /nfs/dbraw/zinc/62/64/91/215626491.db2.gz MCOYPFYSDXBDPG-UHFFFAOYSA-N 1 0 341.430 3.513 50 0 EHAARO C[NH+](C)CCCN(C(=O)C1CCC1)c1nc2ccc(F)cc2s1 ZINC000036645231 213107768 /nfs/dbraw/zinc/10/77/68/213107768.db2.gz ONUWJBYILYYLNJ-UHFFFAOYSA-N 1 0 335.448 3.520 50 0 EHAARO CCC[NH2+]Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036154321 213074648 /nfs/dbraw/zinc/07/46/48/213074648.db2.gz UQQOHOHNLPBDBI-UHFFFAOYSA-N 1 0 333.844 3.805 50 0 EHAARO Cc1ccc(C)c(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1 ZINC000036103845 213068566 /nfs/dbraw/zinc/06/85/66/213068566.db2.gz PUVHWGNDLGWBPR-HXUWFJFHSA-N 1 0 327.468 3.954 50 0 EHAARO CC(C)c1ccc(OCCOC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000035590828 213039798 /nfs/dbraw/zinc/03/97/98/213039798.db2.gz FFWOYTOSUZFZMF-NSHGMRRFSA-N 1 0 349.515 3.544 50 0 EHAARO Cc1c[nH]c(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)c(C)c1=O ZINC000072126648 216018448 /nfs/dbraw/zinc/01/84/48/216018448.db2.gz AXYMHPKYMDALCT-QGZVFWFLSA-N 1 0 342.458 3.976 50 0 EHAARO Cn1ncc(C[N@@H+]2CCC[C@@H](COc3ccccc3F)C2)c1C1CC1 ZINC000072150018 216038671 /nfs/dbraw/zinc/03/86/71/216038671.db2.gz KOAGHIMUMBPDMO-OAHLLOKOSA-N 1 0 343.446 3.728 50 0 EHAARO CCn1cc(C[N@@H+]2CCC[C@@H](COc3cccc(OC)c3)C2)c(C)n1 ZINC000072150941 216039801 /nfs/dbraw/zinc/03/98/01/216039801.db2.gz XGNWUIFTZLANPH-QGZVFWFLSA-N 1 0 343.471 3.511 50 0 EHAARO COc1ccc(/C=C/C[NH+]2CCC(OCc3cccnc3)CC2)cc1 ZINC000072167153 216057473 /nfs/dbraw/zinc/05/74/73/216057473.db2.gz WFMNJCVVYSKFGC-HWKANZROSA-N 1 0 338.451 3.785 50 0 EHAARO CC(C)n1cncc1CN(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000072171385 216062207 /nfs/dbraw/zinc/06/22/07/216062207.db2.gz AYYVWFMGJVIWDD-UHFFFAOYSA-N 1 0 340.515 3.603 50 0 EHAARO CNc1nc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)cs1 ZINC000072411657 216204414 /nfs/dbraw/zinc/20/44/14/216204414.db2.gz VGXCAIXGMAUZNF-INIZCTEOSA-N 1 0 331.485 3.878 50 0 EHAARO C[NH+](C)CC[C@H]1CCCCN1Cc1cnc(-c2cccs2)nc1 ZINC000072425787 216216453 /nfs/dbraw/zinc/21/64/53/216216453.db2.gz AUGCQIVGIUJEOM-MRXNPFEDSA-N 1 0 330.501 3.511 50 0 EHAARO COc1ccc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)cc1F ZINC000072431476 216223984 /nfs/dbraw/zinc/22/39/84/216223984.db2.gz KTJASMJHHRHSAY-HXUWFJFHSA-N 1 0 343.442 3.650 50 0 EHAARO COC[C@@H](C)C1CC[NH+](Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072432359 216226532 /nfs/dbraw/zinc/22/65/32/216226532.db2.gz PCXLMBKKNYSENT-QGZVFWFLSA-N 1 0 333.516 3.885 50 0 EHAARO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072442164 216234930 /nfs/dbraw/zinc/23/49/30/216234930.db2.gz PTXHTGHYZZYETO-UHFFFAOYSA-N 1 0 346.540 3.691 50 0 EHAARO CCc1cc(NC[C@H](c2cccs2)[NH+](C)C)n2nc(C)c(C)c2n1 ZINC000072477240 216255353 /nfs/dbraw/zinc/25/53/53/216255353.db2.gz QNCTYULPKHTXFV-OAHLLOKOSA-N 1 0 343.500 3.685 50 0 EHAARO Cc1c2cc(F)ccc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027583631 212567828 /nfs/dbraw/zinc/56/78/28/212567828.db2.gz JTCDLJFFVPLDIA-UHFFFAOYSA-N 1 0 332.419 3.875 50 0 EHAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131487975 223238962 /nfs/dbraw/zinc/23/89/62/223238962.db2.gz UDZWMPFAFQGNKQ-FQEVSTJZSA-N 1 0 337.467 3.858 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000191853521 239342312 /nfs/dbraw/zinc/34/23/12/239342312.db2.gz BVVSRSJNAHRTNO-MLWPFQAESA-N 1 0 343.492 3.852 50 0 EHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000022766948 212321631 /nfs/dbraw/zinc/32/16/31/212321631.db2.gz XHGKUAFAEAGPLB-MRXNPFEDSA-N 1 0 333.432 3.846 50 0 EHAARO CC(C)[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)[NH+](C)C ZINC000022754497 212320132 /nfs/dbraw/zinc/32/01/32/212320132.db2.gz XTNWZRYYXAAANV-SFHVURJKSA-N 1 0 338.451 3.831 50 0 EHAARO CSc1ccccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000022197452 212281527 /nfs/dbraw/zinc/28/15/27/212281527.db2.gz CKEUQHJLSLTTNK-UHFFFAOYSA-N 1 0 326.465 3.795 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000215019833 241103168 /nfs/dbraw/zinc/10/31/68/241103168.db2.gz ZGGVCUVGVIDVKO-LBPRGKRZSA-N 1 0 331.847 3.520 50 0 EHAARO Cc1nc([C@H]2CCC[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)no1 ZINC000215152149 241107563 /nfs/dbraw/zinc/10/75/63/241107563.db2.gz RNIHQYALMDMFNM-ZDUSSCGKSA-N 1 0 328.391 3.686 50 0 EHAARO COc1ccc2c(c1)CCN(Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000215867309 241150040 /nfs/dbraw/zinc/15/00/40/241150040.db2.gz VTQKLTDIWNADBH-UHFFFAOYSA-N 1 0 342.508 3.911 50 0 EHAARO Cc1nccn1CC[N@@H+](C)Cc1cnn(-c2ccc(C(C)C)cc2)c1 ZINC000216085597 241163880 /nfs/dbraw/zinc/16/38/80/241163880.db2.gz OUXRXPDTVCQUOT-UHFFFAOYSA-N 1 0 337.471 3.633 50 0 EHAARO C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1 ZINC000021986508 212267613 /nfs/dbraw/zinc/26/76/13/212267613.db2.gz MOJZPKOBKCXNKG-QAPCUYQASA-N 1 0 343.398 3.669 50 0 in-vitro EHAARO COc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000021835773 212255074 /nfs/dbraw/zinc/25/50/74/212255074.db2.gz PXUYQTXIGSBVNL-OAHLLOKOSA-N 1 0 345.468 3.715 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)cc1 ZINC000021807459 212253784 /nfs/dbraw/zinc/25/37/84/212253784.db2.gz ITXLAIJUOONEEH-IBGZPJMESA-N 1 0 349.434 3.683 50 0 EHAARO CC[NH+](CC)CCNc1ncnc2onc(-c3cccc(Cl)c3)c21 ZINC000021714588 212241762 /nfs/dbraw/zinc/24/17/62/212241762.db2.gz AFUCDJPPJQTVKK-UHFFFAOYSA-N 1 0 345.834 3.692 50 0 EHAARO C[C@H](c1nc(C2CC2)no1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000229562692 242177801 /nfs/dbraw/zinc/17/78/01/242177801.db2.gz INSZUGQZZQQQHM-CVEARBPZSA-N 1 0 332.492 3.596 50 0 EHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2c(cccc2Cl)[nH]1 ZINC000230209765 242249134 /nfs/dbraw/zinc/24/91/34/242249134.db2.gz ZIAOWARRTKNEFG-UGSOOPFHSA-N 1 0 345.874 3.816 50 0 biogenic EHAARO O=C(c1ccc(C[N@@H+]2CCc3sccc3C2)cc1)N1CCCC1 ZINC000021420088 212224452 /nfs/dbraw/zinc/22/44/52/212224452.db2.gz DNJWZQGHVRTETF-UHFFFAOYSA-N 1 0 326.465 3.542 50 0 EHAARO CC[C@](O)(c1ccc(C)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021169751 212214277 /nfs/dbraw/zinc/21/42/77/212214277.db2.gz HWDBQBWUEQGVFN-YADHBBJMSA-N 1 0 339.479 3.709 50 0 EHAARO c1nc(-c2ccccc2)sc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020993090 212194941 /nfs/dbraw/zinc/19/49/41/212194941.db2.gz ZCUKYYPOCIKDJQ-KRWDZBQOSA-N 1 0 327.497 3.870 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)CCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000244716060 243065567 /nfs/dbraw/zinc/06/55/67/243065567.db2.gz LHQFJZWKXQRGDC-SFHVURJKSA-N 1 0 339.483 3.898 50 0 EHAARO CCN(C(=O)CC[N@@H+]1CCC[C@H]1c1ccccn1)c1ccccc1C ZINC000244659419 243050115 /nfs/dbraw/zinc/05/01/15/243050115.db2.gz HCGMGLDJQAWGTM-FQEVSTJZSA-N 1 0 337.467 3.970 50 0 EHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000020778262 212169193 /nfs/dbraw/zinc/16/91/93/212169193.db2.gz UVIBHGPYFWTWKA-IBGZPJMESA-N 1 0 338.499 3.754 50 0 EHAARO CN(C)CC[NH2+]CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000020548615 212146619 /nfs/dbraw/zinc/14/66/19/212146619.db2.gz KRSFVMWBUGYVDM-PMACEKPBSA-N 1 0 332.532 3.592 50 0 EHAARO CCC[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2nc(C)ns2)s1 ZINC000020326501 212119894 /nfs/dbraw/zinc/11/98/94/212119894.db2.gz VDADZDMMNJJJGL-NSHDSACASA-N 1 0 336.486 3.707 50 0 EHAARO CCOc1cc(CN2CC[NH+](C3CCCCCC3)CC2)ccc1OC ZINC000019831936 212073250 /nfs/dbraw/zinc/07/32/50/212073250.db2.gz MOGTWIULVPHMGJ-UHFFFAOYSA-N 1 0 346.515 3.934 50 0 EHAARO Cc1nc(CC[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(C)s1 ZINC000019837142 212074283 /nfs/dbraw/zinc/07/42/83/212074283.db2.gz VYQLHNUIJHVPTN-UHFFFAOYSA-N 1 0 334.460 3.985 50 0 EHAARO CCCCc1nc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c[nH]1 ZINC000019811615 212071044 /nfs/dbraw/zinc/07/10/44/212071044.db2.gz WYFXUANBAICZGS-FQEVSTJZSA-N 1 0 340.515 3.849 50 0 EHAARO Cc1c([C@H](C)[NH2+]Cc2cccnc2)cnn1-c1ccc(F)cc1F ZINC000019741886 212060433 /nfs/dbraw/zinc/06/04/33/212060433.db2.gz AWCMXXXIZMFKTP-LBPRGKRZSA-N 1 0 328.366 3.705 50 0 EHAARO Brc1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019536601 212039625 /nfs/dbraw/zinc/03/96/25/212039625.db2.gz ACKZKNJQOVGIOC-UHFFFAOYSA-N 1 0 345.284 3.767 50 0 EHAARO CC[C@H](CCO)C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000079075328 217188097 /nfs/dbraw/zinc/18/80/97/217188097.db2.gz SYDYXKDPKPQXPA-QGZVFWFLSA-N 1 0 341.499 3.723 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000012382513 211363835 /nfs/dbraw/zinc/36/38/35/211363835.db2.gz PLEQSGVUGQDCPQ-UHFFFAOYSA-N 1 0 329.271 3.525 50 0 EHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)c1c(F)cccc1F ZINC000012355640 211354660 /nfs/dbraw/zinc/35/46/60/211354660.db2.gz ULZZKHOFBWCNSD-OAHLLOKOSA-N 1 0 336.407 3.593 50 0 EHAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012306449 211340988 /nfs/dbraw/zinc/34/09/88/211340988.db2.gz FJSYZJOSMYJKIO-HXUWFJFHSA-N 1 0 338.451 3.974 50 0 EHAARO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)Cc2ccccc2O1 ZINC000012246557 211329428 /nfs/dbraw/zinc/32/94/28/211329428.db2.gz PLFGPHOUOQCFKJ-AWEZNQCLSA-N 1 0 337.398 3.999 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccc2[nH]ccc2c1 ZINC000012072606 211286762 /nfs/dbraw/zinc/28/67/62/211286762.db2.gz SEMHWYOFXORJOG-FQEVSTJZSA-N 1 0 347.462 3.605 50 0 EHAARO Cc1ccccc1[C@H](CC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000012072826 211285717 /nfs/dbraw/zinc/28/57/17/211285717.db2.gz RFYJXEFTNXLIAV-OAQYLSRUSA-N 1 0 336.479 3.681 50 0 EHAARO Cc1ccc2[nH]c(C[NH+]3CCC(c4ccncc4)CC3)cc(=O)c2c1 ZINC000091270144 217988818 /nfs/dbraw/zinc/98/88/18/217988818.db2.gz BHLWZNXIIDCTMX-UHFFFAOYSA-N 1 0 333.435 3.611 50 0 EHAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000012005583 211279149 /nfs/dbraw/zinc/27/91/49/211279149.db2.gz PBQOMWDSAYDUSJ-QGZVFWFLSA-N 1 0 327.399 3.929 50 0 EHAARO CSc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1 ZINC000011933800 211269530 /nfs/dbraw/zinc/26/95/30/211269530.db2.gz CTALCIVNSIMKDD-HXUWFJFHSA-N 1 0 344.524 3.633 50 0 EHAARO Brc1cccc(CSc2nnc([C@H]3CCC[NH2+]3)o2)c1 ZINC000011903972 211266695 /nfs/dbraw/zinc/26/66/95/211266695.db2.gz AQFDSGSUWAPKTL-LLVKDONJSA-N 1 0 340.246 3.549 50 0 EHAARO O=C1CCC2(CC[NH2+]CC2)CN1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000091468282 218011389 /nfs/dbraw/zinc/01/13/89/218011389.db2.gz DRUZGHVFICLHQB-NRFANRHFSA-N 1 0 348.490 3.963 50 0 EHAARO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2ccccc2)C1 ZINC000011874732 211263444 /nfs/dbraw/zinc/26/34/44/211263444.db2.gz GKRRTMNIFDTWEW-FQEVSTJZSA-N 1 0 331.406 3.782 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCCc1c[nH]c2ccccc12 ZINC000010090897 211147362 /nfs/dbraw/zinc/14/73/62/211147362.db2.gz FLKPVHFFURJGBF-OAQYLSRUSA-N 1 0 347.462 3.664 50 0 EHAARO CC(C)(CNC(=O)CCc1nc2ccccc2s1)[NH+]1CCCCC1 ZINC000009750080 211123223 /nfs/dbraw/zinc/12/32/23/211123223.db2.gz RZEZFYDUAMSNLU-UHFFFAOYSA-N 1 0 345.512 3.610 50 0 EHAARO CCc1nc2ccccc2n1C1CC[NH+](CCc2ccccn2)CC1 ZINC000093301513 218213045 /nfs/dbraw/zinc/21/30/45/218213045.db2.gz GMIBZBXAIJUTBO-UHFFFAOYSA-N 1 0 334.467 3.873 50 0 EHAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1cccnc1 ZINC000009221445 211054865 /nfs/dbraw/zinc/05/48/65/211054865.db2.gz UBIPQYSVMQQGBW-UHFFFAOYSA-N 1 0 340.858 3.886 50 0 EHAARO CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1cccc(O)c1 ZINC000009089887 211039223 /nfs/dbraw/zinc/03/92/23/211039223.db2.gz NYNKGJMRWKVYJQ-SFHVURJKSA-N 1 0 349.390 3.572 50 0 EHAARO O=C1[C@H]2CC[C@H](C[N@@H+](C/C=C/c3ccc(F)cc3)C2)N1CC1CCC1 ZINC000095367216 218300363 /nfs/dbraw/zinc/30/03/63/218300363.db2.gz BZUSNTFTSUYNLV-BBPDQTHYSA-N 1 0 342.458 3.562 50 0 EHAARO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1ccsc1)CC2 ZINC000095379092 218310780 /nfs/dbraw/zinc/31/07/80/218310780.db2.gz JINGHQRPBWDXOE-SFHVURJKSA-N 1 0 340.492 3.729 50 0 EHAARO O=C(NCc1ccc(Cl)s1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095392352 218323340 /nfs/dbraw/zinc/32/33/40/218323340.db2.gz MDSDRIYQXYQZGW-GFCCVEGCSA-N 1 0 338.860 3.523 50 0 EHAARO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000095420049 218360462 /nfs/dbraw/zinc/36/04/62/218360462.db2.gz FGUAEMKPZBXKIX-MRXNPFEDSA-N 1 0 330.453 3.613 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000095420974 218361427 /nfs/dbraw/zinc/36/14/27/218361427.db2.gz SKTWZGKFISTAGW-LBPRGKRZSA-N 1 0 336.357 3.916 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2ccnc2)cc1F ZINC000095420790 218362276 /nfs/dbraw/zinc/36/22/76/218362276.db2.gz KKCOYXKEIGMOIJ-CQSZACIVSA-N 1 0 325.387 3.871 50 0 EHAARO CCc1ccc([C@@H](C)[NH2+]C2CCN(CCc3ccncc3)CC2)o1 ZINC000095421529 218362630 /nfs/dbraw/zinc/36/26/30/218362630.db2.gz JZUAPUSLSFUWED-MRXNPFEDSA-N 1 0 327.472 3.595 50 0 EHAARO Cc1ccc(NCc2nccn2Cc2ccccc2)c(C[NH+](C)C)c1 ZINC000095429108 218371994 /nfs/dbraw/zinc/37/19/94/218371994.db2.gz AOEMFQOMFBVFKX-UHFFFAOYSA-N 1 0 334.467 3.914 50 0 EHAARO CCn1c(C)c(C)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc21 ZINC000006912673 210741934 /nfs/dbraw/zinc/74/19/34/210741934.db2.gz UQJIHSIYAIQFHK-UHFFFAOYSA-N 1 0 341.499 3.884 50 0 EHAARO CC[n+]1c(C)cc(C)n1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000005333451 210440991 /nfs/dbraw/zinc/44/09/91/210440991.db2.gz IPGPSPQOELSHEP-GOSISDBHSA-N 1 0 348.470 3.581 50 0 EHAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2cc(OC)cc(OC)c2)cc1 ZINC000004989440 210351010 /nfs/dbraw/zinc/35/10/10/210351010.db2.gz OBPUITQZJORPDV-OAHLLOKOSA-N 1 0 329.440 3.823 50 0 EHAARO O[C@H](COc1c(Cl)cc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000004819516 210286552 /nfs/dbraw/zinc/28/65/52/210286552.db2.gz PARURLGTYFRKCK-NSHDSACASA-N 1 0 338.662 3.872 50 0 EHAARO CC[NH+](CC)Cc1cccc(NC(=O)N(C)Cc2ccnc(C)c2)c1 ZINC000426442903 257967850 /nfs/dbraw/zinc/96/78/50/257967850.db2.gz KOCMIWXAUPVDQK-UHFFFAOYSA-N 1 0 340.471 3.896 50 0 EHAARO Fc1ccc([C@H]2C[C@H]([NH2+]CC3=CCCOC3)C2)cc1Br ZINC000281716856 257937421 /nfs/dbraw/zinc/93/74/21/257937421.db2.gz QKQYRXDSCBAITH-HDJSIYSDSA-N 1 0 340.236 3.771 50 0 EHAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2Cl)C1 ZINC000299739336 258010824 /nfs/dbraw/zinc/01/08/24/258010824.db2.gz NKPMBJMUZMGJPS-YPMHNXCESA-N 1 0 329.271 3.512 50 0 EHAARO [NH3+][C@@H]1CC[C@H](NC(=O)c2cccc(-c3cccc(C(F)(F)F)c3)c2)C1 ZINC000299778311 258088140 /nfs/dbraw/zinc/08/81/40/258088140.db2.gz RQXGADAXPMYYBR-SJORKVTESA-N 1 0 348.368 3.982 50 0 EHAARO CC[C@@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1ncccc1C ZINC000299796946 258100824 /nfs/dbraw/zinc/10/08/24/258100824.db2.gz OCQKLUXTDPGDNM-QGZVFWFLSA-N 1 0 329.488 3.756 50 0 EHAARO Cc1ccc2ncccc2c1CNC(=O)[C@H](C)[N@H+](C)C1CCCCC1 ZINC000299799195 258103048 /nfs/dbraw/zinc/10/30/48/258103048.db2.gz QELSMIVOLPJIFM-INIZCTEOSA-N 1 0 339.483 3.812 50 0 EHAARO Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000006939056 258052674 /nfs/dbraw/zinc/05/26/74/258052674.db2.gz RDXMGPSXXNKVNU-IFMALSPDSA-N 1 0 339.479 3.948 50 0 EHAARO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccco1)CCS2 ZINC000191527120 533300321 /nfs/dbraw/zinc/30/03/21/533300321.db2.gz DUMWDXLEKLVEEM-DAXOMENPSA-N 1 0 333.453 3.927 50 0 EHAARO CCc1cc2c(ncnc2N2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000055124299 132193993 /nfs/dbraw/zinc/19/39/93/132193993.db2.gz OSVPUNIFECUWFC-UHFFFAOYSA-N 1 0 338.480 3.576 50 0 EHAARO CC[NH+](CC)Cc1cccc(NC(=O)c2cnc3ccccc3c2O)c1 ZINC000024927979 520757070 /nfs/dbraw/zinc/75/70/70/520757070.db2.gz MGXUJBWQJGILNJ-UHFFFAOYSA-N 1 0 349.434 3.622 50 0 EHAARO Cc1ccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C(C)C)cc1 ZINC000036101802 524417463 /nfs/dbraw/zinc/41/74/63/524417463.db2.gz MAHLGJBTGOWGLA-FQEVSTJZSA-N 1 0 327.468 3.954 50 0 EHAARO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+]Cc3cccnc3)cc2C1 ZINC000189579926 526428657 /nfs/dbraw/zinc/42/86/57/526428657.db2.gz HSKWDHBSURXPHL-UHFFFAOYSA-N 1 0 339.439 3.622 50 0 EHAARO Brc1ccc2c(c1)CCN2C1CC[NH+](C2CCC2)CC1 ZINC000169620351 526643712 /nfs/dbraw/zinc/64/37/12/526643712.db2.gz UWSSDMRZNHDSQB-UHFFFAOYSA-N 1 0 335.289 3.829 50 0 EHAARO C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@]1(c2ccccc2)CCOC1 ZINC000215463276 536475753 /nfs/dbraw/zinc/47/57/53/536475753.db2.gz AFRHSVYRYZQTEI-JOCHJYFZSA-N 1 0 347.462 3.662 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)c1ccsc1 ZINC000025810624 563888569 /nfs/dbraw/zinc/88/85/69/563888569.db2.gz HWPITSRABUHFLX-AWEZNQCLSA-N 1 0 344.814 3.712 50 0 EHAARO Cc1ccccc1C[NH+]1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000000316285 563283043 /nfs/dbraw/zinc/28/30/43/563283043.db2.gz SEZIEAVLPMUINK-UHFFFAOYSA-N 1 0 349.522 3.782 50 0 EHAARO CCN(CC)C(=O)[C@H]1C=C(c2ccccc2)C=C[NH+]=C1N(CC)CC ZINC000000343691 563287275 /nfs/dbraw/zinc/28/72/75/563287275.db2.gz GNGRZQJPJDOLAC-IBGZPJMESA-N 1 0 339.483 3.822 50 0 EHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1 ZINC000000360156 563293322 /nfs/dbraw/zinc/29/33/22/563293322.db2.gz QFUOWZOXYYUTPI-GOSISDBHSA-N 1 0 327.424 3.543 50 0 EHAARO [NH3+]C[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000002585681 563443594 /nfs/dbraw/zinc/44/35/94/563443594.db2.gz OQGTVTJFIBDELU-OAHLLOKOSA-N 1 0 336.435 3.606 50 0 EHAARO C[C@@H]1Cc2ccccc2N1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043127294 563594964 /nfs/dbraw/zinc/59/49/64/563594964.db2.gz KLELMSCHWVUGCS-CZUORRHYSA-N 1 0 329.469 3.512 50 0 EHAARO C[NH+]1CCC(NC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000043180321 563599056 /nfs/dbraw/zinc/59/90/56/563599056.db2.gz VOJZTAJTDWHYMU-UHFFFAOYSA-N 1 0 325.412 3.695 50 0 EHAARO CCc1ccc([N+]2=C3CCCCCN3[C@@](O)(c3cccs3)C2)cc1 ZINC000002974565 563623514 /nfs/dbraw/zinc/62/35/14/563623514.db2.gz SNGHUFBUGOMUNB-FQEVSTJZSA-N 1 0 341.500 3.961 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000043722707 563631648 /nfs/dbraw/zinc/63/16/48/563631648.db2.gz DIIQIOUPVIEQBD-HLLBOEOZSA-N 1 0 335.492 3.706 50 0 EHAARO Clc1ccc(N2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000011873302 563651782 /nfs/dbraw/zinc/65/17/82/563651782.db2.gz IOVZJYFMCDOEHB-GOSISDBHSA-N 1 0 342.870 3.902 50 0 EHAARO Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccccc3F)CC2)c1 ZINC000032611414 563665404 /nfs/dbraw/zinc/66/54/04/563665404.db2.gz TUMMAUVOLIWOIF-UHFFFAOYSA-N 1 0 341.430 3.792 50 0 EHAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2nccs2)C1 ZINC000012711271 563668743 /nfs/dbraw/zinc/66/87/43/563668743.db2.gz SGTCDRBYCANGAO-SFHVURJKSA-N 1 0 343.540 3.838 50 0 EHAARO CSC(C)(C)C[C@@H](C)[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000012763862 563670512 /nfs/dbraw/zinc/67/05/12/563670512.db2.gz GVZYVPFTHBQUPB-CQSZACIVSA-N 1 0 326.550 3.677 50 0 EHAARO CCn1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c1C ZINC000014949036 563767481 /nfs/dbraw/zinc/76/74/81/563767481.db2.gz HAXNYXKWJFGLGJ-MRXNPFEDSA-N 1 0 345.874 3.960 50 0 EHAARO c1ccc2c(c1)CCN(c1ncccc1C[NH2+]C1CCSCC1)C2 ZINC000014980905 563770006 /nfs/dbraw/zinc/77/00/06/563770006.db2.gz ZOWQUVIYLRQCJL-UHFFFAOYSA-N 1 0 339.508 3.630 50 0 EHAARO Cc1ncc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)s1 ZINC000015073377 563776036 /nfs/dbraw/zinc/77/60/36/563776036.db2.gz OIXCFDGFZBTFCZ-IBGZPJMESA-N 1 0 330.497 3.659 50 0 EHAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000032900928 563787208 /nfs/dbraw/zinc/78/72/08/563787208.db2.gz MCZFPJDYVBRAGS-AWEZNQCLSA-N 1 0 340.402 3.574 50 0 EHAARO CCCOc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000015831660 563793441 /nfs/dbraw/zinc/79/34/41/563793441.db2.gz VYQGNNGPWQFKQV-GOSISDBHSA-N 1 0 342.439 3.635 50 0 EHAARO CC(C)[N@H+](C)CCCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000032914595 563811300 /nfs/dbraw/zinc/81/13/00/563811300.db2.gz MNTGKGKKXUYJEY-UHFFFAOYSA-N 1 0 338.451 3.771 50 0 EHAARO COc1cc(OC)c(OC)cc1/C=C/c1ccc2ccccc2[n+]1C ZINC000016998863 563827996 /nfs/dbraw/zinc/82/79/96/563827996.db2.gz ITLSZQMBLVDAHL-ZRDIBKRKSA-N 1 0 336.411 3.861 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)N[C@H](c1ccccc1)C1CC1)c1ccsc1 ZINC000026149301 563890186 /nfs/dbraw/zinc/89/01/86/563890186.db2.gz ISBVGNRWMSLRCY-ZWKOTPCHSA-N 1 0 343.496 3.801 50 0 EHAARO Cc1ccccc1C[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000028852378 563904307 /nfs/dbraw/zinc/90/43/07/563904307.db2.gz FMOLOBSLNVPWJO-UHFFFAOYSA-N 1 0 330.859 3.787 50 0 EHAARO C[N@@H+](Cc1csc2ccccc12)C[C@H](O)COCc1ccco1 ZINC000058591111 563909511 /nfs/dbraw/zinc/90/95/11/563909511.db2.gz NPLCOKUEAGRYPK-HNNXBMFYSA-N 1 0 331.437 3.504 50 0 EHAARO CCOC(=O)C[C@@H]1C(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000033732080 563916465 /nfs/dbraw/zinc/91/64/65/563916465.db2.gz HRWUEUOAAKJSEV-LQWHRVPQSA-N 1 0 337.419 3.601 50 0 EHAARO O=C(OCc1ccccc1)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042773688 563924942 /nfs/dbraw/zinc/92/49/42/563924942.db2.gz ZWZWUUNSPZEBBS-LJQANCHMSA-N 1 0 339.435 3.955 50 0 EHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000058160856 563938422 /nfs/dbraw/zinc/93/84/22/563938422.db2.gz SYJZCULFYPVLII-SECBINFHSA-N 1 0 326.293 3.532 50 0 EHAARO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC1CC[NH+](C)CC1 ZINC000058324999 563942498 /nfs/dbraw/zinc/94/24/98/563942498.db2.gz NPNLJBFTXYMGIU-UHFFFAOYSA-N 1 0 343.496 3.559 50 0 EHAARO C[C@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000058345064 563943204 /nfs/dbraw/zinc/94/32/04/563943204.db2.gz XMGZOTNIVNOXIQ-SNVBAGLBSA-N 1 0 336.233 3.729 50 0 EHAARO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058377593 563944204 /nfs/dbraw/zinc/94/42/04/563944204.db2.gz TYGFBLKPRQVISE-SFHVURJKSA-N 1 0 339.483 3.577 50 0 EHAARO CCOc1cccc([C@H](C)NC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000058429784 563946259 /nfs/dbraw/zinc/94/62/59/563946259.db2.gz OTFIKTVXYZFFHH-INIZCTEOSA-N 1 0 347.503 3.566 50 0 EHAARO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(C)o1 ZINC000096423088 563951792 /nfs/dbraw/zinc/95/17/92/563951792.db2.gz NPLDBIMXCMZUEE-PBHICJAKSA-N 1 0 332.469 3.771 50 0 EHAARO C[C@H](CC(=O)N(C)C[C@H]1CC[N@H+](C)C1)c1ccccc1C(F)(F)F ZINC000096423684 563951904 /nfs/dbraw/zinc/95/19/04/563951904.db2.gz VZRALODKNYMSAW-KGLIPLIRSA-N 1 0 342.405 3.609 50 0 EHAARO CC(C)N(C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000096455042 563953849 /nfs/dbraw/zinc/95/38/49/563953849.db2.gz HQYQDENXKCGIJX-OAHLLOKOSA-N 1 0 335.517 3.543 50 0 EHAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@]2(O)CCCc3ccccc32)c1 ZINC000096477375 563954950 /nfs/dbraw/zinc/95/49/50/563954950.db2.gz TYCHNYWHNSWPBM-VFNWGFHPSA-N 1 0 338.451 3.520 50 0 EHAARO COc1cccc(F)c1[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000096478599 563955087 /nfs/dbraw/zinc/95/50/87/563955087.db2.gz PIWAKXSNQWYGTL-AWEZNQCLSA-N 1 0 329.419 3.549 50 0 EHAARO COc1ccc(C[N@H+]2CC=C(c3cnn(-c4ccccn4)c3)CC2)cc1 ZINC000065406610 563960194 /nfs/dbraw/zinc/96/01/94/563960194.db2.gz UGQNQWQXXLVINO-UHFFFAOYSA-N 1 0 346.434 3.565 50 0 EHAARO CCC[C@H](c1cccs1)n1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065465512 563961242 /nfs/dbraw/zinc/96/12/42/563961242.db2.gz RTAKEJVZQFGKLA-GFCCVEGCSA-N 1 0 345.493 3.555 50 0 EHAARO CC(C)C/C=C(\C[NH+]1CCC2(CNC(=O)C2)CC1)c1ccccc1 ZINC000065526251 563961783 /nfs/dbraw/zinc/96/17/83/563961783.db2.gz NATCDZVDMAQYKD-DJKKODMXSA-N 1 0 326.484 3.718 50 0 EHAARO CCN(Cc1c(F)cccc1Cl)c1cc([C@@H]2CCC[NH2+]C2)ncn1 ZINC000067642489 563962418 /nfs/dbraw/zinc/96/24/18/563962418.db2.gz KFDXTLNXHGQNCB-CYBMUJFWSA-N 1 0 348.853 3.763 50 0 EHAARO COc1cc(-c2ccccc2)ccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000097080836 563967213 /nfs/dbraw/zinc/96/72/13/563967213.db2.gz PPDIVVUBWXYNKI-UHFFFAOYSA-N 1 0 348.450 3.791 50 0 EHAARO Cc1nc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c(C)o1 ZINC000077452259 563969740 /nfs/dbraw/zinc/96/97/40/563969740.db2.gz DEDYOLFSRNRYES-GOSISDBHSA-N 1 0 341.455 3.720 50 0 EHAARO Cc1[nH]c2c(cccc2C(=O)N(C)C[C@H]2CC[N@H+](C)C2(C)C)c1C ZINC000096166420 563979971 /nfs/dbraw/zinc/97/99/71/563979971.db2.gz XLXDSMLMMZLMDC-OAHLLOKOSA-N 1 0 327.472 3.587 50 0 EHAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cc2)C1 ZINC000178589522 563989019 /nfs/dbraw/zinc/98/90/19/563989019.db2.gz RGCGDQRJRPKCCN-CYBMUJFWSA-N 1 0 330.815 3.553 50 0 EHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1CCCCC1 ZINC000000315164 563990997 /nfs/dbraw/zinc/99/09/97/563990997.db2.gz NMZGHGIVDSQGIR-UHFFFAOYSA-N 1 0 342.487 3.897 50 0 EHAARO [NH3+]C1CCN(C(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2)CC1 ZINC000237841570 563994044 /nfs/dbraw/zinc/99/40/44/563994044.db2.gz XUCLKPHAJOHOSY-UHFFFAOYSA-N 1 0 348.805 3.835 50 0 EHAARO CC(=O)c1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1C ZINC000179052672 563996517 /nfs/dbraw/zinc/99/65/17/563996517.db2.gz KRBSSHKQCGOHBV-UHFFFAOYSA-N 1 0 343.471 3.680 50 0 EHAARO C[NH+]1CCC([C@@]2(O)c3ccsc3SCc3ccccc32)CC1 ZINC000005510091 564006004 /nfs/dbraw/zinc/00/60/04/564006004.db2.gz RBIZGRHTTSFDPW-SFHVURJKSA-N 1 0 331.506 3.932 50 0 EHAARO COc1ccc(C[NH2+]Cc2ccc(Br)cc2)c(OC)c1 ZINC000000172196 564012130 /nfs/dbraw/zinc/01/21/30/564012130.db2.gz ZQBKESGZBXTSNW-UHFFFAOYSA-N 1 0 336.229 3.756 50 0 EHAARO Cc1ccc(-n2ncc3c2ncnc3N2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000018036823 564017764 /nfs/dbraw/zinc/01/77/64/564017764.db2.gz SZNJIQLXMKLFCU-GASCZTMLSA-N 1 0 335.455 3.915 50 0 EHAARO C[C@H](C[NH2+]C1CCC(C(=O)N2CCSCC2)CC1)c1ccccc1 ZINC000225583348 564023516 /nfs/dbraw/zinc/02/35/16/564023516.db2.gz JRWKUXRGVCHJCH-IPJUCJBFSA-N 1 0 346.540 3.514 50 0 EHAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000105878722 564025344 /nfs/dbraw/zinc/02/53/44/564025344.db2.gz LAZMADIPOGCJSZ-PWRODBHTSA-N 1 0 340.511 3.875 50 0 EHAARO Cc1nc(-c2c[nH]c(C(=O)Nc3cccc(C[NH+](C)C)c3)c2)cs1 ZINC000047460249 564026307 /nfs/dbraw/zinc/02/63/07/564026307.db2.gz XSHHKHPDUJIOMG-UHFFFAOYSA-N 1 0 340.452 3.761 50 0 EHAARO O[C@H](COCc1ccccc1Cl)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000106900263 564026725 /nfs/dbraw/zinc/02/67/25/564026725.db2.gz ORYSDSTYPZRZIM-NUJGCVRESA-N 1 0 337.891 3.730 50 0 EHAARO O=c1cc(C[N@H+](Cc2cccs2)C2CC2)nc2ccc(Cl)cn12 ZINC000044898188 564027594 /nfs/dbraw/zinc/02/75/94/564027594.db2.gz YQOIPCBXISPNTR-UHFFFAOYSA-N 1 0 345.855 3.574 50 0 EHAARO Cc1cccc(C)c1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045814912 564028698 /nfs/dbraw/zinc/02/86/98/564028698.db2.gz BJIDMYJDBAMPHD-UHFFFAOYSA-N 1 0 341.455 3.566 50 0 EHAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000048273368 564030388 /nfs/dbraw/zinc/03/03/88/564030388.db2.gz QFYJXEAVNQUNHK-FUHIMQAGSA-N 1 0 344.499 3.727 50 0 EHAARO COc1cc([C@H](C)[NH2+]Cc2cccnc2)ccc1OCc1ccncc1 ZINC000048746810 564032166 /nfs/dbraw/zinc/03/21/66/564032166.db2.gz NTJOPFAOJGZSFE-INIZCTEOSA-N 1 0 349.434 3.915 50 0 EHAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000048784748 564032264 /nfs/dbraw/zinc/03/22/64/564032264.db2.gz FUHDWLVPNMAYIM-UHFFFAOYSA-N 1 0 333.382 3.785 50 0 EHAARO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)o2)s1 ZINC000223415356 564039892 /nfs/dbraw/zinc/03/98/92/564039892.db2.gz NSUDXENIARIVHW-UHFFFAOYSA-N 1 0 332.469 3.811 50 0 EHAARO FC(F)Cn1ncnc1C[N@@H+]1CCCCC[C@H]1C1CCCCC1 ZINC000225614354 564048432 /nfs/dbraw/zinc/04/84/32/564048432.db2.gz QOZAXFBWUFVYOX-HNNXBMFYSA-N 1 0 326.435 3.868 50 0 EHAARO CC(C)[C@@H](O)C1(C[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000095989216 564050170 /nfs/dbraw/zinc/05/01/70/564050170.db2.gz WITGYQBEIXPWLQ-CQSZACIVSA-N 1 0 346.696 3.989 50 0 EHAARO CSc1ncc(C[N@@H+]2CCC[C@H](Cc3ccc(F)cc3)C2)cn1 ZINC000230501260 564051099 /nfs/dbraw/zinc/05/10/99/564051099.db2.gz ZOESAXVWTIPQAC-OAHLLOKOSA-N 1 0 331.460 3.792 50 0 EHAARO Cc1nnc([C@H]2OCC[C@H]2C[NH2+][C@H](C)c2cc(C)c(C)cc2Cl)[nH]1 ZINC000685940065 564051373 /nfs/dbraw/zinc/05/13/73/564051373.db2.gz HPFXLXOOZRNTEO-IFIJOSMWSA-N 1 0 348.878 3.812 50 0 EHAARO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000241720797 564052096 /nfs/dbraw/zinc/05/20/96/564052096.db2.gz QSISUNZLICRMLP-RBUKOAKNSA-N 1 0 340.467 3.929 50 0 EHAARO Cc1ccccc1C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043971513 564058873 /nfs/dbraw/zinc/05/88/73/564058873.db2.gz UDMUXFQMIWNGDL-UHFFFAOYSA-N 1 0 328.481 3.699 50 0 EHAARO O=C(NCc1cccs1)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043972164 564058880 /nfs/dbraw/zinc/05/88/80/564058880.db2.gz CBRYIFYDKLFOKR-UHFFFAOYSA-N 1 0 349.525 3.521 50 0 EHAARO COC[C@H](C)[NH2+][C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003476771 564059763 /nfs/dbraw/zinc/05/97/63/564059763.db2.gz VQNJSZIEMGLNDD-KSSFIOAISA-N 1 0 346.858 3.953 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)s1 ZINC000120950202 564060614 /nfs/dbraw/zinc/06/06/14/564060614.db2.gz LNSBYLVXNQCERJ-UHFFFAOYSA-N 1 0 328.481 3.585 50 0 EHAARO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2cccs2)cc1 ZINC000012747850 564065955 /nfs/dbraw/zinc/06/59/55/564065955.db2.gz DAHDXNLRCSAEQD-CYBMUJFWSA-N 1 0 334.510 3.607 50 0 EHAARO O=C(OC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000084535876 564068519 /nfs/dbraw/zinc/06/85/19/564068519.db2.gz DIRBELBKSCRXAG-OAHLLOKOSA-N 1 0 331.362 3.644 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](c2ccccc2)C1 ZINC000084535932 564068637 /nfs/dbraw/zinc/06/86/37/564068637.db2.gz AZVIFFSLBDTHGX-FCHUYYIVSA-N 1 0 348.490 3.915 50 0 EHAARO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000012772431 564069061 /nfs/dbraw/zinc/06/90/61/564069061.db2.gz DLZZFZHQJSDULG-OAHLLOKOSA-N 1 0 329.444 3.861 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000084736380 564069933 /nfs/dbraw/zinc/06/99/33/564069933.db2.gz XHOKHGATJYCMHL-APWZRJJASA-N 1 0 339.483 3.608 50 0 EHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)CSC(C)(C)C ZINC000084771333 564070136 /nfs/dbraw/zinc/07/01/36/564070136.db2.gz HFIAVNLEOMQSBG-UHFFFAOYSA-N 1 0 338.517 3.877 50 0 EHAARO COc1ccccc1C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000012906519 564077868 /nfs/dbraw/zinc/07/78/68/564077868.db2.gz FRZCUVVAIGAJRK-UHFFFAOYSA-N 1 0 335.451 3.847 50 0 EHAARO CSCc1ccnc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000075141003 564080673 /nfs/dbraw/zinc/08/06/73/564080673.db2.gz MZPHOBLBWHOISG-UHFFFAOYSA-N 1 0 341.480 3.793 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)c1ccsc1)c1csc2ccccc21 ZINC000575621651 564083912 /nfs/dbraw/zinc/08/39/12/564083912.db2.gz QDOVPLRRXKLDSD-OAHLLOKOSA-N 1 0 330.478 3.996 50 0 EHAARO CCC(C)(C)[NH2+]CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21 ZINC000013015528 564086803 /nfs/dbraw/zinc/08/68/03/564086803.db2.gz VHIGNYCRXPPENH-UHFFFAOYSA-N 1 0 343.496 3.786 50 0 EHAARO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000241326135 564088333 /nfs/dbraw/zinc/08/83/33/564088333.db2.gz LZMNIUSXWXUGHX-BBWFWOEESA-N 1 0 342.483 3.659 50 0 EHAARO O[C@H](C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1cc(F)ccc1F ZINC000248712128 564089284 /nfs/dbraw/zinc/08/92/84/564089284.db2.gz CXHGIFQJPBQTBQ-JSNMRZPZSA-N 1 0 347.405 3.756 50 0 EHAARO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2cn3ccsc3n2)cc1 ZINC000192055031 564090021 /nfs/dbraw/zinc/09/00/21/564090021.db2.gz MDRQZBSJTZFWPM-GJZGRUSLSA-N 1 0 333.844 3.669 50 0 EHAARO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC000064431497 564091312 /nfs/dbraw/zinc/09/13/12/564091312.db2.gz IXQQZWGLGQCZPE-UHFFFAOYSA-N 1 0 325.408 3.631 50 0 EHAARO CCc1oc(C(=O)N2CCc3ccccc3C2)cc1C[NH+]1CCCC1 ZINC000426415240 564093689 /nfs/dbraw/zinc/09/36/89/564093689.db2.gz DFDLPKWMWCBLRH-UHFFFAOYSA-N 1 0 338.451 3.636 50 0 EHAARO C[C@@H](c1ccc(-c2ccc(-n3ccnc3)nn2)cc1)[NH+]1CCCCC1 ZINC000426578727 564094155 /nfs/dbraw/zinc/09/41/55/564094155.db2.gz ORGYYZUOKJVGDR-INIZCTEOSA-N 1 0 333.439 3.876 50 0 EHAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036100585 564096143 /nfs/dbraw/zinc/09/61/43/564096143.db2.gz XZKXVHNEJRPKMU-IBGZPJMESA-N 1 0 343.467 3.656 50 0 EHAARO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000155445025 564098380 /nfs/dbraw/zinc/09/83/80/564098380.db2.gz PBQWCNNIYRJHTL-OAHLLOKOSA-N 1 0 348.450 3.518 50 0 EHAARO C[NH+](C)CCCNC(=O)c1cccnc1Sc1ccc(Cl)cc1 ZINC000006935815 564101901 /nfs/dbraw/zinc/10/19/01/564101901.db2.gz QCKAAMSKHMTRRT-UHFFFAOYSA-N 1 0 349.887 3.568 50 0 EHAARO O=C(NCC[NH+]1CCCC1)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285771 564104336 /nfs/dbraw/zinc/10/43/36/564104336.db2.gz PBLZFOYZCWWRCA-UHFFFAOYSA-N 1 0 331.485 3.644 50 0 EHAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000170048438 564105067 /nfs/dbraw/zinc/10/50/67/564105067.db2.gz PBYTXVZQHWVBSU-NHYWBVRUSA-N 1 0 341.282 3.659 50 0 EHAARO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000037218981 564108792 /nfs/dbraw/zinc/10/87/92/564108792.db2.gz NTSMQPCQMKQIIL-OXQOHEQNSA-N 1 0 338.451 3.710 50 0 EHAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@@H](C)C1 ZINC000076057725 564115167 /nfs/dbraw/zinc/11/51/67/564115167.db2.gz AZKIADNHMUETQB-SUMWQHHRSA-N 1 0 332.419 3.555 50 0 EHAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000089948819 564115720 /nfs/dbraw/zinc/11/57/20/564115720.db2.gz RHYKOAFQTFDUDX-MLGOLLRUSA-N 1 0 346.368 3.581 50 0 EHAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000089948820 564115756 /nfs/dbraw/zinc/11/57/56/564115756.db2.gz RHYKOAFQTFDUDX-BLLLJJGKSA-N 1 0 346.368 3.581 50 0 EHAARO Cc1c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(=O)n(-c2ccccc2)n1C ZINC000000757370 564116750 /nfs/dbraw/zinc/11/67/50/564116750.db2.gz WMSDSHMGTFQZQA-YLJYHZDGSA-N 1 0 339.483 3.639 50 0 EHAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000237469598 564117721 /nfs/dbraw/zinc/11/77/21/564117721.db2.gz DOGVGDJGRWJSAP-YPMHNXCESA-N 1 0 329.271 3.654 50 0 EHAARO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Oc3ccccc3)o2)CN1 ZINC000195556510 564123803 /nfs/dbraw/zinc/12/38/03/564123803.db2.gz KAAQNURZZMGKBH-QAPCUYQASA-N 1 0 340.423 3.563 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000253415988 564130740 /nfs/dbraw/zinc/13/07/40/564130740.db2.gz YLMYBQLPGCQTPI-AWEZNQCLSA-N 1 0 330.472 3.909 50 0 EHAARO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(N3CCCC3)nc1)CCC2 ZINC000093364978 564137486 /nfs/dbraw/zinc/13/74/86/564137486.db2.gz IWODQSMDEXDNJX-QGZVFWFLSA-N 1 0 342.512 3.956 50 0 EHAARO CC(C)COc1cccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1 ZINC000155738761 564140693 /nfs/dbraw/zinc/14/06/93/564140693.db2.gz XKDSVVQLIXYJDQ-UHFFFAOYSA-N 1 0 343.471 3.590 50 0 EHAARO c1ccc2c(c1)-c1ccccc1C2[NH2+]CCc1nnc2n1CCCCC2 ZINC000095466831 564141022 /nfs/dbraw/zinc/14/10/22/564141022.db2.gz ACONWZGFCPVIGY-UHFFFAOYSA-N 1 0 344.462 3.907 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000095967975 564143162 /nfs/dbraw/zinc/14/31/62/564143162.db2.gz ONOZDOIVZYNMPV-INIZCTEOSA-N 1 0 349.434 3.769 50 0 EHAARO C[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc(F)c(F)c1 ZINC000095968749 564143231 /nfs/dbraw/zinc/14/32/31/564143231.db2.gz QHWDDPGZTPLFOU-OAHLLOKOSA-N 1 0 345.437 3.718 50 0 EHAARO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000095971522 564143432 /nfs/dbraw/zinc/14/34/32/564143432.db2.gz DUEXNAPTRLTRLA-HUUCEWRRSA-N 1 0 330.378 3.817 50 0 EHAARO C[C@@H](C(=O)N1CCCC[C@@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000096280601 564146379 /nfs/dbraw/zinc/14/63/79/564146379.db2.gz AFUVMSHCDJOBHL-ROUUACIJSA-N 1 0 328.500 3.731 50 0 EHAARO CCc1oc2ccccc2c1/C=C\C(=O)N(C)C1CC[NH+](C)CC1 ZINC000096920500 564148982 /nfs/dbraw/zinc/14/89/82/564148982.db2.gz ALPWTCVBFBOLPD-KTKRTIGZSA-N 1 0 326.440 3.561 50 0 EHAARO CC[NH+]1CCN(Cc2ccc(N[C@@H](C)c3ccc(F)cn3)cc2)CC1 ZINC000097037307 564149209 /nfs/dbraw/zinc/14/92/09/564149209.db2.gz ZTVWCDBDQXGTNK-INIZCTEOSA-N 1 0 342.462 3.531 50 0 EHAARO C[NH+](C)[C@@H](CNC(=S)Nc1cccc(Cl)c1)c1ccccc1 ZINC000002644120 564151763 /nfs/dbraw/zinc/15/17/63/564151763.db2.gz WPWDZSOOCOBLJC-INIZCTEOSA-N 1 0 333.888 3.929 50 0 EHAARO C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)c1ccc(F)c(F)c1 ZINC000057352336 564153627 /nfs/dbraw/zinc/15/36/27/564153627.db2.gz HWTKKGXNUMMCJH-LBPRGKRZSA-N 1 0 348.397 3.566 50 0 EHAARO Cc1cccnc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670453136 564159591 /nfs/dbraw/zinc/15/95/91/564159591.db2.gz TUWDLTFDRUIKPV-IBGZPJMESA-N 1 0 337.467 3.737 50 0 EHAARO C[NH+](C)Cc1ccc(Oc2ccc(C(=O)N3CCCCC3)cn2)cc1 ZINC000067641374 564166262 /nfs/dbraw/zinc/16/62/62/564166262.db2.gz LBISLIKTJPBKBV-UHFFFAOYSA-N 1 0 339.439 3.562 50 0 EHAARO COc1cc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)ccc1SC ZINC000245344058 564169140 /nfs/dbraw/zinc/16/91/40/564169140.db2.gz XEWIRZVHMURKLR-JOKNJTHLSA-N 1 0 329.465 3.726 50 0 EHAARO CCOc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCO)cs2)cc1 ZINC000070951414 564174565 /nfs/dbraw/zinc/17/45/65/564174565.db2.gz OLTJEENOTNPBHP-QGZVFWFLSA-N 1 0 346.496 3.946 50 0 EHAARO O=C(C1CC1)N1CCC([NH2+]Cc2ccc(-c3ccccc3)s2)CC1 ZINC000042209608 564174776 /nfs/dbraw/zinc/17/47/76/564174776.db2.gz SIBBIPLTSLZZDX-UHFFFAOYSA-N 1 0 340.492 3.906 50 0 EHAARO CCc1nccn1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000071870654 564176172 /nfs/dbraw/zinc/17/61/72/564176172.db2.gz UWZDOCAAOCLQLT-AWEZNQCLSA-N 1 0 347.846 3.585 50 0 EHAARO CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 ZINC000071870653 564176180 /nfs/dbraw/zinc/17/61/80/564176180.db2.gz UWZDOCAAOCLQLT-CQSZACIVSA-N 1 0 347.846 3.585 50 0 EHAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000022862318 1024840202 /nfs/dbraw/zinc/84/02/02/1024840202.db2.gz UGMNVYWHPWRPNI-LJQANCHMSA-N 1 0 338.495 3.834 50 0 EHAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c3ccccc23)C1 ZINC000023281189 1027617666 /nfs/dbraw/zinc/61/76/66/1027617666.db2.gz DOLUUTGDNCGHCD-MRXNPFEDSA-N 1 0 327.424 3.624 50 0 EHAARO Cc1cnc([C@@H]2CC[N@H+](Cc3ccccn3)C2)n1Cc1ccccc1 ZINC000575317505 1031458400 /nfs/dbraw/zinc/45/84/00/1031458400.db2.gz LNHZAOQULGGPML-LJQANCHMSA-N 1 0 332.451 3.624 50 0 EHAARO O=C(Nc1ccccc1Oc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171886487 1034703830 /nfs/dbraw/zinc/70/38/30/1034703830.db2.gz AIWZCMBTNDGEPZ-MRXNPFEDSA-N 1 0 337.423 3.791 50 0 EHAARO Cc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000023373049 1035246600 /nfs/dbraw/zinc/24/66/00/1035246600.db2.gz YTIXSRCGCNKUAF-NRFANRHFSA-N 1 0 341.543 3.914 50 0 EHAARO Cc1cc(C)n(-c2ccc(N3CCC([NH2+]C4CC=CC4)CC3)cc2)n1 ZINC000023399258 1035290046 /nfs/dbraw/zinc/29/00/46/1035290046.db2.gz YZXIKPWWUZSXBE-UHFFFAOYSA-N 1 0 336.483 3.766 50 0 EHAARO Cc1cc(N2CCN(c3ccccn3)CC2)nc2cc3c(cc12)CCC3 ZINC000023633928 1036917951 /nfs/dbraw/zinc/91/79/51/1036917951.db2.gz OCPCCSSWYBXSDP-UHFFFAOYSA-N 1 0 344.462 3.754 50 0 EHAARO CC(C)c1ccc(C[NH+]2CC(Cc3nc(-c4cccnc4)no3)C2)cc1 ZINC000675019355 1039877446 /nfs/dbraw/zinc/87/74/46/1039877446.db2.gz HDOCTOLTEMHEPF-UHFFFAOYSA-N 1 0 348.450 3.930 50 0 EHAARO Cc1ccccc1CN1CC[N@@H+](C2CCCCCC2)C[C@H]1CCO ZINC000104342014 1041964108 /nfs/dbraw/zinc/96/41/08/1041964108.db2.gz NUCZWUZBBUVJOV-OAQYLSRUSA-N 1 0 330.516 3.586 50 0 EHAARO O=C(NCCc1ccc(C2CCCCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000662849516 1042133982 /nfs/dbraw/zinc/13/39/82/1042133982.db2.gz FMPANACYSZYUCY-FQEVSTJZSA-N 1 0 328.500 3.783 50 0 EHAARO CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1(C)C ZINC000048344932 1042314201 /nfs/dbraw/zinc/31/42/01/1042314201.db2.gz DJLXGWSJBPPVIH-RYRKJORJSA-N 1 0 330.472 3.771 50 0 EHAARO CC1CC[NH+]([C@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 ZINC000012163303 1129409696 /nfs/dbraw/zinc/40/96/96/1129409696.db2.gz ZFGJVBOGOCSTDX-KRWDZBQOSA-N 1 0 336.426 3.578 50 0 EHAARO OC[C@@]1(Cc2ccccc2F)CCC[N@H+](CCc2ccccc2)C1 ZINC000012595708 1129440881 /nfs/dbraw/zinc/44/08/81/1129440881.db2.gz IHQMFXYVWUUMMV-OAQYLSRUSA-N 1 0 327.443 3.685 50 0 EHAARO CCc1oc(-c2n[nH]c(Cc3cccs3)n2)cc1C[NH+]1CCCC1 ZINC000823570705 1131072032 /nfs/dbraw/zinc/07/20/32/1131072032.db2.gz ALMQNDABQCOITF-UHFFFAOYSA-N 1 0 342.468 3.875 50 0 EHAARO C[C@@H](c1cccc(CN2CCN(Cc3cccs3)CC2)c1)[NH+](C)C ZINC000823648984 1131073548 /nfs/dbraw/zinc/07/35/48/1131073548.db2.gz MXFZMXGMLZFTPB-KRWDZBQOSA-N 1 0 343.540 3.689 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cc(C)ccc2-n2cccn2)c1 ZINC000823649005 1131073927 /nfs/dbraw/zinc/07/39/27/1131073927.db2.gz PXAZMQFBBMSZBS-SFHVURJKSA-N 1 0 334.467 3.947 50 0 EHAARO C[NH+](C)Cc1ccc(-c2nc(C3CC3)nn2CCc2ccccc2)o1 ZINC000823709208 1131079320 /nfs/dbraw/zinc/07/93/20/1131079320.db2.gz HTTPROHXTODDLQ-UHFFFAOYSA-N 1 0 336.439 3.720 50 0 EHAARO COc1cccc2c1OCC(C[N@H+](C)[C@H](C)Cc1ncccc1C)=C2 ZINC000824801372 1131220011 /nfs/dbraw/zinc/22/00/11/1131220011.db2.gz PRGNMWXZHNNAFF-MRXNPFEDSA-N 1 0 338.451 3.737 50 0 EHAARO c1ccc(CNc2ncc(CN3CCC[C@H]3c3cccnc3)cn2)cc1 ZINC000829069278 1131446760 /nfs/dbraw/zinc/44/67/60/1131446760.db2.gz PKBPKLHAZMMQBL-FQEVSTJZSA-N 1 0 345.450 3.821 50 0 EHAARO Cc1cnc(-c2cccnc2)n1CC1CC[NH+](Cc2cccn2C)CC1 ZINC000575549151 1131572521 /nfs/dbraw/zinc/57/25/21/1131572521.db2.gz HQTVPOQSEFFJFY-UHFFFAOYSA-N 1 0 349.482 3.504 50 0 EHAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)c2ccsc2)CC1 ZINC000581817215 1132374999 /nfs/dbraw/zinc/37/49/99/1132374999.db2.gz ZFIMNXTYIPLYLG-UHFFFAOYSA-N 1 0 331.485 3.758 50 0 EHAARO CC1=Nc2ccccc2C12CC[NH+](CCO[C@H]1CCCCO1)CC2 ZINC000585116288 1137006207 /nfs/dbraw/zinc/00/62/07/1137006207.db2.gz OXYBHAYPOIISFG-IBGZPJMESA-N 1 0 328.456 3.669 50 0 EHAARO Cn1ncc2c1nccc2N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000952845407 1137482427 /nfs/dbraw/zinc/48/24/27/1137482427.db2.gz NGNPUSAVBZFCNM-IBGZPJMESA-N 1 0 349.482 3.681 50 0 EHAARO CC[C@@H](C)Oc1cccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000952869057 1137483040 /nfs/dbraw/zinc/48/30/40/1137483040.db2.gz HHZMMGSAOGOIIJ-CYBMUJFWSA-N 1 0 325.412 3.736 50 0 EHAARO O=C(C[C@H](c1ccco1)c1ccccc1)NCC[NH+]1CCCCCC1 ZINC000952985046 1137485583 /nfs/dbraw/zinc/48/55/83/1137485583.db2.gz AMDAPUHRWZMFBT-IBGZPJMESA-N 1 0 340.467 3.794 50 0 EHAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)Nc3cccc(Cc4ccccc4)c3)C[C@H]12 ZINC000102316816 1137872690 /nfs/dbraw/zinc/87/26/90/1137872690.db2.gz YIGODYMEHPNOJZ-MZADTFQBSA-N 1 0 349.478 3.549 50 0 EHAARO Cc1nc(C)c(CN2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)nc1C ZINC000055100192 214273209 /nfs/dbraw/zinc/27/32/09/214273209.db2.gz IZQDRXMFMLNNNT-OAQYLSRUSA-N 1 0 344.547 3.736 50 0 EHAARO Cc1cccc(-c2ncc(C[NH2+]C[C@H]3OCCc4ccccc43)cn2)c1 ZINC000055168052 214283256 /nfs/dbraw/zinc/28/32/56/214283256.db2.gz RWMJREYJGSHRPW-OAQYLSRUSA-N 1 0 345.446 3.856 50 0 EHAARO Cc1cccc(C)c1C[NH+]1CCC(n2cc(CC(C)C)nn2)CC1 ZINC000055197024 214286203 /nfs/dbraw/zinc/28/62/03/214286203.db2.gz YDGQNQNJJQUKSR-UHFFFAOYSA-N 1 0 326.488 3.931 50 0 EHAARO COc1cccc(-c2nc3cc(C)ccc3[nH]2)c1OCCC[NH+](C)C ZINC000055327083 214307378 /nfs/dbraw/zinc/30/73/78/214307378.db2.gz RDRYKGXKNOMYGI-UHFFFAOYSA-N 1 0 339.439 3.877 50 0 EHAARO CCC(=O)Nc1ccc(NC(=O)CCC[NH+]2CCCC2)cc1Cl ZINC000055358643 214311244 /nfs/dbraw/zinc/31/12/44/214311244.db2.gz RQPFELLSRVAUNP-UHFFFAOYSA-N 1 0 337.851 3.503 50 0 EHAARO Cc1nc2sccc2c(N(C)Cc2ccccc2C[NH+](C)C)n1 ZINC000055360835 214311617 /nfs/dbraw/zinc/31/16/17/214311617.db2.gz XICJGEQGCYDMAS-UHFFFAOYSA-N 1 0 326.469 3.698 50 0 EHAARO CC(C)C[C@H](O)C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000055357903 214311973 /nfs/dbraw/zinc/31/19/73/214311973.db2.gz KWQYMFMBKFHONV-IBGZPJMESA-N 1 0 345.462 3.835 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000004685553 210247277 /nfs/dbraw/zinc/24/72/77/210247277.db2.gz ITGQNVHLEVQNKS-UHFFFAOYSA-N 1 0 331.456 3.627 50 0 EHAARO COc1ccc2cc(C(=O)NCC3([NH+](C)C)CCCCC3)ccc2c1 ZINC000049622789 214022858 /nfs/dbraw/zinc/02/28/58/214022858.db2.gz VKZCKDPHSMHWAN-UHFFFAOYSA-N 1 0 340.467 3.843 50 0 EHAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590894 214794715 /nfs/dbraw/zinc/79/47/15/214794715.db2.gz PKVNTYSFQOBXGM-UHFFFAOYSA-N 1 0 341.842 3.760 50 0 EHAARO O=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccccc1 ZINC000101120106 219116759 /nfs/dbraw/zinc/11/67/59/219116759.db2.gz MIXFAAAACQFFCU-QZTJIDSGSA-N 1 0 338.451 3.736 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccoc3)cc2)C1 ZINC000048310008 213917288 /nfs/dbraw/zinc/91/72/88/213917288.db2.gz NIJUDZNVQNDFLN-HOTGVXAUSA-N 1 0 326.440 3.688 50 0 EHAARO CC(C)(C)c1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004256796 210154250 /nfs/dbraw/zinc/15/42/50/210154250.db2.gz XBBAQOLJXVUVRN-UHFFFAOYSA-N 1 0 346.515 3.788 50 0 EHAARO C[C@@H]([NH2+]CC(=O)Nc1cc(N(C)C)nc2ccccc21)c1ccccc1 ZINC000004018673 210101828 /nfs/dbraw/zinc/10/18/28/210101828.db2.gz VZTATDIFAHAGEB-OAHLLOKOSA-N 1 0 348.450 3.590 50 0 EHAARO Cc1nnc(-c2cccc(-c3cc4c(c(F)c3)O[C@@H](C[NH3+])C4)c2)s1 ZINC000067603647 215168242 /nfs/dbraw/zinc/16/82/42/215168242.db2.gz OMRDROZLJRSWCU-OAHLLOKOSA-N 1 0 341.411 3.582 50 0 EHAARO COc1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)cc1C ZINC000067692482 215186977 /nfs/dbraw/zinc/18/69/77/215186977.db2.gz KDXFJHUXFHSYES-UHFFFAOYSA-N 1 0 326.440 3.543 50 0 EHAARO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(-c2cc[nH]n2)s1 ZINC000067743290 215200195 /nfs/dbraw/zinc/20/01/95/215200195.db2.gz KVMJVHLNTIQSBP-CQSZACIVSA-N 1 0 347.509 3.973 50 0 EHAARO Cc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCC3)c(C)c1 ZINC000002966448 209947570 /nfs/dbraw/zinc/94/75/70/209947570.db2.gz MZWMCPLPPCGNQO-JOCHJYFZSA-N 1 0 335.471 3.872 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000002859214 209929272 /nfs/dbraw/zinc/92/92/72/209929272.db2.gz HPXMOAUAJMCOCS-UHFFFAOYSA-N 1 0 329.366 3.701 50 0 EHAARO Clc1ccccc1-c1cc(C2CC[NH+](Cc3cnc[nH]3)CC2)[nH]n1 ZINC000067920136 215249983 /nfs/dbraw/zinc/24/99/83/215249983.db2.gz GVYMUYFXLDKZFA-UHFFFAOYSA-N 1 0 341.846 3.833 50 0 EHAARO Cc1ccc2oc(N3CC[NH+](Cc4cccc5[nH]ccc54)CC3)nc2c1 ZINC000067946968 215255930 /nfs/dbraw/zinc/25/59/30/215255930.db2.gz ZXHZTMAOTUSIGT-UHFFFAOYSA-N 1 0 346.434 3.940 50 0 EHAARO C/C(=C\C(=O)N1CCC(n2ccnc2)CC1)c1ccccc1Cl ZINC000103866997 219327008 /nfs/dbraw/zinc/32/70/08/219327008.db2.gz WMGYXLOZXXDCLG-WYMLVPIESA-N 1 0 329.831 3.804 50 0 EHAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000040494128 213319937 /nfs/dbraw/zinc/31/99/37/213319937.db2.gz HFVIZNKCXHGIDE-CQSZACIVSA-N 1 0 333.391 3.634 50 0 EHAARO COC(=O)c1ccc(OCC[N@@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000040153472 213274416 /nfs/dbraw/zinc/27/44/16/213274416.db2.gz BLSFHBRCJBUVAE-ZDUSSCGKSA-N 1 0 331.437 3.533 50 0 EHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(-c3ccccc3F)o2)C1 ZINC000040108085 213267576 /nfs/dbraw/zinc/26/75/76/213267576.db2.gz FXLPRFGFRCSWMF-OAHLLOKOSA-N 1 0 344.430 3.938 50 0 EHAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccnn2C(C)C)c(C)c1 ZINC000039987576 213248665 /nfs/dbraw/zinc/24/86/65/213248665.db2.gz VDIWDOBFNZEBFT-MRXNPFEDSA-N 1 0 328.460 3.540 50 0 EHAARO Cc1ccc(-c2cccc(CN3CC[N@@H+](C(C)C)[C@H](CCO)C3)c2)o1 ZINC000038149494 213203855 /nfs/dbraw/zinc/20/38/55/213203855.db2.gz LLFDUKIGWXTYIT-HXUWFJFHSA-N 1 0 342.483 3.532 50 0 EHAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000036103130 213066388 /nfs/dbraw/zinc/06/63/88/213066388.db2.gz UQJIUGWPDKVEEY-SFHVURJKSA-N 1 0 329.415 3.538 50 0 EHAARO Cc1ccc(C[N@H+](C[C@H](O)COc2ccccc2C)CC2CC2)o1 ZINC000036098019 213065941 /nfs/dbraw/zinc/06/59/41/213065941.db2.gz SVJKIYGCGLWADM-SFHVURJKSA-N 1 0 329.440 3.548 50 0 EHAARO Cc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036098735 213064900 /nfs/dbraw/zinc/06/49/00/213064900.db2.gz QPYZXIMXQWXHFD-HXUWFJFHSA-N 1 0 327.468 3.954 50 0 EHAARO O=C(NCc1ccccc1)c1ccc(-c2cccc3c2CC[NH2+]C3)o1 ZINC000071757081 215812928 /nfs/dbraw/zinc/81/29/28/215812928.db2.gz ZOCAYWHLXKXSQJ-UHFFFAOYSA-N 1 0 332.403 3.522 50 0 EHAARO Cc1cc(C[NH2+]C2CCC(O)CC2)cc(C)c1OCc1ccccn1 ZINC000071844484 215876746 /nfs/dbraw/zinc/87/67/46/215876746.db2.gz WGFLHSTXDJYMCU-UHFFFAOYSA-N 1 0 340.467 3.671 50 0 EHAARO O=C1NC[C@]2(CCC[N@H+](Cc3cccc(-c4ccccc4)c3)CC2)O1 ZINC000072141718 216027679 /nfs/dbraw/zinc/02/76/79/216027679.db2.gz MJZAABGMIRGEIF-OAQYLSRUSA-N 1 0 336.435 3.818 50 0 EHAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCCN(Cc3cccnc3)CC2)o1 ZINC000072155882 216045589 /nfs/dbraw/zinc/04/55/89/216045589.db2.gz JALGTKRXHSKJRT-KRWDZBQOSA-N 1 0 327.472 3.685 50 0 EHAARO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(-c4ccccc4)s3)CC2)O1 ZINC000072167066 216058046 /nfs/dbraw/zinc/05/80/46/216058046.db2.gz UNCMYLIIUNWYDU-IBGZPJMESA-N 1 0 342.464 3.880 50 0 EHAARO Cc1csc([C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000072299578 216138484 /nfs/dbraw/zinc/13/84/84/216138484.db2.gz QLAYVVJWFGQWSO-KRWDZBQOSA-N 1 0 343.496 3.533 50 0 EHAARO c1c[nH]c(C[N@@H+]2CCCC23CCN(c2ccc4ncccc4c2)CC3)n1 ZINC000072436422 216230964 /nfs/dbraw/zinc/23/09/64/216230964.db2.gz ZZIYOXCPXDNFPU-UHFFFAOYSA-N 1 0 347.466 3.593 50 0 EHAARO Cc1[nH+]c(CN2CCC[C@H](C(=O)c3ccccc3)C2)c2ccccn12 ZINC000072447218 216237332 /nfs/dbraw/zinc/23/73/32/216237332.db2.gz XWSIJZYKLJIQNL-SFHVURJKSA-N 1 0 333.435 3.738 50 0 EHAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1cnc(C2CCCCC2)nc1 ZINC000072453592 216240622 /nfs/dbraw/zinc/24/06/22/216240622.db2.gz SCQWKJGXVBMVQK-IBGZPJMESA-N 1 0 330.520 3.831 50 0 EHAARO CCOc1cc(-c2nccn2[C@H]2CC[NH2+]C2)cc(Cl)c1OCC ZINC000072453452 216240644 /nfs/dbraw/zinc/24/06/44/216240644.db2.gz WRMMWJAKNIUXOW-ZDUSSCGKSA-N 1 0 335.835 3.535 50 0 EHAARO c1ccc2[nH]c(CN[C@@H]3CCC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000023374203 212371798 /nfs/dbraw/zinc/37/17/98/212371798.db2.gz ZNGSIQHIVXLVOX-QGZVFWFLSA-N 1 0 326.488 3.697 50 0 EHAARO CCc1n[nH]c2c1C[N@H+](CC(C)=Cc1cc(Cl)ccc1O)CC2 ZINC000023192294 212359967 /nfs/dbraw/zinc/35/99/67/212359967.db2.gz AMONAVBIRLWHIP-XYOKQWHBSA-N 1 0 331.847 3.793 50 0 EHAARO O=C(CCc1ccccc1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023128063 212351908 /nfs/dbraw/zinc/35/19/08/212351908.db2.gz RQLPTBZTZJTEEJ-UHFFFAOYSA-N 1 0 342.508 3.709 50 0 EHAARO C[C@@H](c1ccccc1)[N@H+](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000023039498 212344213 /nfs/dbraw/zinc/34/42/13/212344213.db2.gz CNAPDMKUWHCCAU-INIZCTEOSA-N 1 0 336.435 3.756 50 0 EHAARO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193110468 240025751 /nfs/dbraw/zinc/02/57/51/240025751.db2.gz MHAYETPTHCRDJN-DYVFJYSZSA-N 1 0 335.904 3.797 50 0 EHAARO CC[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000022683102 212316655 /nfs/dbraw/zinc/31/66/55/212316655.db2.gz SKEIAPKEOFSDFW-MOPGFXCFSA-N 1 0 328.431 3.738 50 0 EHAARO C(=C/c1ccccc1)\CN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000022586775 212308139 /nfs/dbraw/zinc/30/81/39/212308139.db2.gz RAIMARIHCIACFL-MFJULSPGSA-N 1 0 332.491 3.875 50 0 EHAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cccc(OCc2ccccc2)c1 ZINC000022078354 212276154 /nfs/dbraw/zinc/27/61/54/212276154.db2.gz WDSDWHQNSMKURR-GCJKJVERSA-N 1 0 336.479 3.934 50 0 EHAARO CSc1ccc(C[N@@H+]2CCCN(Cc3ccccn3)CC2)cc1 ZINC000215139270 241107090 /nfs/dbraw/zinc/10/70/90/241107090.db2.gz ULNYKEQDQQXBIS-UHFFFAOYSA-N 1 0 327.497 3.511 50 0 EHAARO O=C(c1ccccn1)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000216036532 241160114 /nfs/dbraw/zinc/16/01/14/241160114.db2.gz MWGAPCJLOGUGLZ-KRWDZBQOSA-N 1 0 346.434 3.567 50 0 EHAARO COCCOC1CC[NH+](Cc2[nH]c3c(cccc3Cl)c2C)CC1 ZINC000216400903 241189445 /nfs/dbraw/zinc/18/94/45/241189445.db2.gz LQGSFKZOLMZFEB-UHFFFAOYSA-N 1 0 336.863 3.757 50 0 EHAARO Cc1ccccc1[C@@H](CNC(=O)c1cnoc1-c1ccccc1)[NH+](C)C ZINC000216463172 241194744 /nfs/dbraw/zinc/19/47/44/241194744.db2.gz CVWWAXJRWYUCKW-LJQANCHMSA-N 1 0 349.434 3.683 50 0 EHAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000021718119 212242788 /nfs/dbraw/zinc/24/27/88/212242788.db2.gz SEYRNJPLVSJXTK-CALCHBBNSA-N 1 0 329.488 3.908 50 0 EHAARO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCO[C@@H](C)C3)nc2)s1 ZINC000229956261 242219331 /nfs/dbraw/zinc/21/93/31/242219331.db2.gz GSJLIUJTOLBUPC-GJZGRUSLSA-N 1 0 345.512 3.781 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000237491808 242664596 /nfs/dbraw/zinc/66/45/96/242664596.db2.gz KAZFBJCDLHBSKX-OIMNJJJWSA-N 1 0 341.282 3.683 50 0 EHAARO Cc1ccc(OCC(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)cc1 ZINC000020868981 212180475 /nfs/dbraw/zinc/18/04/75/212180475.db2.gz RNXSUYCOKFWOIP-LJQANCHMSA-N 1 0 344.499 3.631 50 0 EHAARO COc1cccc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccnc2)c1 ZINC000244673706 243054165 /nfs/dbraw/zinc/05/41/65/243054165.db2.gz HUFXXYVZBDVDGQ-LJQANCHMSA-N 1 0 339.439 3.646 50 0 EHAARO COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCOC1 ZINC000244742081 243073332 /nfs/dbraw/zinc/07/33/32/243073332.db2.gz OBMFFJWZTLQRMR-QGZVFWFLSA-N 1 0 329.415 3.873 50 0 EHAARO OCC[C@@H]1CN(Cc2cc3ccccc3s2)CC[N@@H+]1C1CCCC1 ZINC000020782767 212172647 /nfs/dbraw/zinc/17/26/47/212172647.db2.gz XKRMECMFVSVQKP-GOSISDBHSA-N 1 0 344.524 3.713 50 0 EHAARO O=C(NCCc1c[nH]c2ccccc12)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020599627 212150714 /nfs/dbraw/zinc/15/07/14/212150714.db2.gz BKTDEVURGZTCMC-INIZCTEOSA-N 1 0 339.464 3.626 50 0 EHAARO CCOc1c(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)cc1OC ZINC000020476815 212135894 /nfs/dbraw/zinc/13/58/94/212135894.db2.gz OEXCGISTRNEMNC-INIZCTEOSA-N 1 0 335.831 3.571 50 0 EHAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000253630237 244041862 /nfs/dbraw/zinc/04/18/62/244041862.db2.gz PGOVWNRZGZGMPF-CRAIPNDOSA-N 1 0 333.439 3.807 50 0 EHAARO CCc1ccc([C@](C)(O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020440881 212128450 /nfs/dbraw/zinc/12/84/50/212128450.db2.gz JULWLWYVTQJTON-VXKWHMMOSA-N 1 0 339.479 3.573 50 0 EHAARO COc1ccc(Br)cc1C[NH2+]CCc1ccccc1F ZINC000019841318 212074205 /nfs/dbraw/zinc/07/42/05/212074205.db2.gz QJKPFRMKVKSLRQ-UHFFFAOYSA-N 1 0 338.220 3.929 50 0 EHAARO COc1ccc([C@](C)(O)[C@H](c2ccccc2)[C@H]2CCCC[NH2+]2)cc1 ZINC000257356294 244583823 /nfs/dbraw/zinc/58/38/23/244583823.db2.gz HGOAFHCXOPDXNZ-NJYVYQBISA-N 1 0 325.452 3.829 50 0 EHAARO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@H](N3CCOCC3)C2)o1 ZINC000019773652 212064818 /nfs/dbraw/zinc/06/48/18/212064818.db2.gz UPMGESNVFQYLOP-IBGZPJMESA-N 1 0 340.467 3.552 50 0 EHAARO COc1ccc(Br)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000019720528 212058604 /nfs/dbraw/zinc/05/86/04/212058604.db2.gz BFINAPLDWILSNA-UHFFFAOYSA-N 1 0 338.220 3.929 50 0 EHAARO OCC[C@H]1CN(C/C=C/c2ccc(F)cc2)CC[N@@H+]1C1CCCCC1 ZINC000019606436 212051759 /nfs/dbraw/zinc/05/17/59/212051759.db2.gz NDZOKVGGAJTEHX-FNEOHHHZSA-N 1 0 346.490 3.540 50 0 EHAARO CCS[C@@H]1CCCC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000078289734 217038709 /nfs/dbraw/zinc/03/87/09/217038709.db2.gz UORVURVVGQMPDW-LSDHHAIUSA-N 1 0 341.565 3.659 50 0 EHAARO COc1cc(C[NH2+][C@H]2COc3c2ccc(C)c3C)cc(OC)c1OC ZINC000078553862 217075585 /nfs/dbraw/zinc/07/55/85/217075585.db2.gz LXTGQTCROHXJMJ-INIZCTEOSA-N 1 0 343.423 3.553 50 0 EHAARO Cn1cc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21 ZINC000079486052 217232086 /nfs/dbraw/zinc/23/20/86/217232086.db2.gz PPJGBFRHCWICES-UHFFFAOYSA-N 1 0 341.499 3.536 50 0 EHAARO COc1cccc([C@H](CNC(=O)Nc2ccccc2)[NH+]2CCCC2)c1 ZINC000014251998 211724123 /nfs/dbraw/zinc/72/41/23/211724123.db2.gz HZWBGSYSYSSYIB-IBGZPJMESA-N 1 0 339.439 3.654 50 0 EHAARO COc1cccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000012431291 211377914 /nfs/dbraw/zinc/37/79/14/211377914.db2.gz LINPKNYBXDMFID-UHFFFAOYSA-N 1 0 325.452 3.512 50 0 EHAARO Cc1c2cc(C)cc(CNC(=O)C[NH+](C)C)c2[nH]c1-c1ccccc1 ZINC000012458330 211388467 /nfs/dbraw/zinc/38/84/67/211388467.db2.gz IEHFMVUBECJDIS-UHFFFAOYSA-N 1 0 335.451 3.630 50 0 EHAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](CCCSC)C2)cc1C ZINC000012387378 211364155 /nfs/dbraw/zinc/36/41/55/211364155.db2.gz DZJWNAUSALGFLF-INIZCTEOSA-N 1 0 335.513 3.960 50 0 EHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccn2)C1)Nc1ccccc1F ZINC000012308999 211342213 /nfs/dbraw/zinc/34/22/13/211342213.db2.gz HJFOOEOTBICLOW-INIZCTEOSA-N 1 0 341.430 3.852 50 0 EHAARO CCCn1ncc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)c1C ZINC000012372839 211358631 /nfs/dbraw/zinc/35/86/31/211358631.db2.gz UCXHGEYWUNHKDM-LJQANCHMSA-N 1 0 330.451 3.817 50 0 EHAARO O=C1CC[N@@H+](C[C@@H]2CC=CCC2)CCN1Cc1cccc(Cl)c1 ZINC000012098447 211291912 /nfs/dbraw/zinc/29/19/12/211291912.db2.gz ICHMNWRKRSNYAP-MRXNPFEDSA-N 1 0 332.875 3.731 50 0 EHAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)C1 ZINC000091459984 218010069 /nfs/dbraw/zinc/01/00/69/218010069.db2.gz SBQOPFSVPVJZKR-IBGZPJMESA-N 1 0 338.499 3.501 50 0 EHAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccccc2OC)CC1 ZINC000011842835 211255741 /nfs/dbraw/zinc/25/57/41/211255741.db2.gz GBBOKBAYHOLNQL-UHFFFAOYSA-N 1 0 331.456 3.641 50 0 EHAARO O=C1CCC2(CC[NH+](Cc3cccc(F)c3)CC2)CN1C1CCCC1 ZINC000091846108 218076232 /nfs/dbraw/zinc/07/62/32/218076232.db2.gz RZBLGBVACRCCLE-UHFFFAOYSA-N 1 0 344.474 3.973 50 0 EHAARO O=C(Nc1ccc(Cl)c(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000010464458 211176045 /nfs/dbraw/zinc/17/60/45/211176045.db2.gz HWTDMPNBLVCWAC-UHFFFAOYSA-N 1 0 328.243 3.742 50 0 EHAARO COc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009451308 211085859 /nfs/dbraw/zinc/08/58/59/211085859.db2.gz NQRMDAMERAJUNS-UHFFFAOYSA-N 1 0 330.472 3.614 50 0 EHAARO COc1ccccc1NC(=O)C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000009337758 211070683 /nfs/dbraw/zinc/07/06/83/211070683.db2.gz XOPOBWMCXBRZFM-LFPRZYRFSA-N 1 0 342.483 3.828 50 0 EHAARO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2cnc4ccccc4n2)C3)cc1 ZINC000095356712 218290602 /nfs/dbraw/zinc/29/06/02/218290602.db2.gz ZWMQLTPEMUPQGN-RTBURBONSA-N 1 0 344.462 3.731 50 0 EHAARO CC(C)[NH+]1CCC(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000095382593 218314498 /nfs/dbraw/zinc/31/44/98/218314498.db2.gz DPWTZEQUOFDANW-UHFFFAOYSA-N 1 0 333.863 3.558 50 0 EHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Nc1ccc(F)c(Cl)c1)C2 ZINC000095391899 218323547 /nfs/dbraw/zinc/32/35/47/218323547.db2.gz OQOGESXQZATEHJ-TZMCWYRMSA-N 1 0 339.842 3.817 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc2c(c1)OCCO2 ZINC000095420665 218361460 /nfs/dbraw/zinc/36/14/60/218361460.db2.gz ZUBPLVJZEPADRU-INIZCTEOSA-N 1 0 349.434 3.553 50 0 EHAARO CNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)c1 ZINC000095420952 218361593 /nfs/dbraw/zinc/36/15/93/218361593.db2.gz MCXQEQAVRXWSQF-CYBMUJFWSA-N 1 0 348.393 3.807 50 0 EHAARO O=c1ccccn1CCCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095421240 218362766 /nfs/dbraw/zinc/36/27/66/218362766.db2.gz LHVRKKYXHTVTSK-GOSISDBHSA-N 1 0 338.451 3.665 50 0 EHAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccnc(OC2CCCCC2)c1 ZINC000095421465 218363088 /nfs/dbraw/zinc/36/30/88/218363088.db2.gz XSAHFWPULAEGHH-GOSISDBHSA-N 1 0 340.471 3.694 50 0 EHAARO COc1ccccc1[C@H](C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000095421657 218364064 /nfs/dbraw/zinc/36/40/64/218364064.db2.gz COWLGIQCUSUVBV-HUUCEWRRSA-N 1 0 347.480 3.553 50 0 EHAARO CC(=O)N1CCC(CC[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000095423687 218366145 /nfs/dbraw/zinc/36/61/45/218366145.db2.gz FNNFRXCGALFSFQ-IBGZPJMESA-N 1 0 342.483 3.671 50 0 EHAARO Cc1cnc([C@H]([NH2+][C@H](C)CC(=O)N2CCCCCC2)C2CC2)s1 ZINC000095423347 218366172 /nfs/dbraw/zinc/36/61/72/218366172.db2.gz YHZSJQPEDCMJFM-CXAGYDPISA-N 1 0 335.517 3.673 50 0 EHAARO O=C(CC[NH+]1CCCCC1)Nc1cccc(NCc2cccnc2)c1 ZINC000095429076 218371655 /nfs/dbraw/zinc/37/16/55/218371655.db2.gz ALAQOOJHRUGILE-UHFFFAOYSA-N 1 0 338.455 3.508 50 0 EHAARO Cc1nc2n(n1)C[C@@H]([NH2+]C[C@H](C)Cc1ccc(C(C)(C)C)cc1)CC2 ZINC000095443059 218387326 /nfs/dbraw/zinc/38/73/26/218387326.db2.gz BALSJXWZVZCCSF-BEFAXECRSA-N 1 0 340.515 3.667 50 0 EHAARO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000095941282 218454323 /nfs/dbraw/zinc/45/43/23/218454323.db2.gz ZZHNKVRQLLGNSS-XJKSGUPXSA-N 1 0 333.863 3.796 50 0 EHAARO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000095967603 218472715 /nfs/dbraw/zinc/47/27/15/218472715.db2.gz YZAPXPCJTMCEPI-GWMXKSKGSA-N 1 0 346.368 3.942 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccc2ccccc2c1 ZINC000006992579 210753316 /nfs/dbraw/zinc/75/33/16/210753316.db2.gz NOXQYNKQWGOAKX-UHFFFAOYSA-N 1 0 348.446 3.597 50 0 EHAARO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000096476409 218853476 /nfs/dbraw/zinc/85/34/76/218853476.db2.gz YIXVOPFFROGIKW-POUGUFFASA-N 1 0 347.480 3.853 50 0 EHAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 ZINC000005093516 210388623 /nfs/dbraw/zinc/38/86/23/210388623.db2.gz MXRQAXFUOCNCPK-QGZVFWFLSA-N 1 0 337.423 3.635 50 0 EHAARO Cn1cc(C[NH2+]CCc2cccnc2)c(-c2cc3ccccc3o2)n1 ZINC000097159835 218976928 /nfs/dbraw/zinc/97/69/28/218976928.db2.gz TYDQGELECAHIKA-UHFFFAOYSA-N 1 0 332.407 3.561 50 0 EHAARO Cc1cnc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)s1 ZINC000097233908 219001081 /nfs/dbraw/zinc/00/10/81/219001081.db2.gz FHIODAQWAJXSJX-KGLIPLIRSA-N 1 0 339.505 3.577 50 0 EHAARO O[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000004827607 210289051 /nfs/dbraw/zinc/28/90/51/210289051.db2.gz RUPWEIHMVFBUON-WOJBJXKFSA-N 1 0 329.390 3.552 50 0 EHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCn1cccc1 ZINC000409413397 257871224 /nfs/dbraw/zinc/87/12/24/257871224.db2.gz ALPMMOISFXQKNV-VQTJNVASSA-N 1 0 345.531 3.771 50 0 biogenic EHAARO Cc1sc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1-c1ccc(F)cc1 ZINC000237490483 257944844 /nfs/dbraw/zinc/94/48/44/257944844.db2.gz ADMVBPVUYGGBOK-ABAIWWIYSA-N 1 0 332.444 3.814 50 0 EHAARO Brc1cnn(C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000328586933 258046187 /nfs/dbraw/zinc/04/61/87/258046187.db2.gz COCBPHCGSWWPBH-UHFFFAOYSA-N 1 0 326.263 3.544 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccc(OC4CCCC4)cc3)[C@H]1C[C@H](O)CC2 ZINC000299758139 258075836 /nfs/dbraw/zinc/07/58/36/258075836.db2.gz DFTFYOZVWXFPNE-JRGCBEDISA-N 1 0 345.483 3.512 50 0 EHAARO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cs1 ZINC000179431336 533917118 /nfs/dbraw/zinc/91/71/18/533917118.db2.gz LPLYWGDPQYPAAI-MRXNPFEDSA-N 1 0 332.469 3.554 50 0 EHAARO CCSc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000170591714 529255821 /nfs/dbraw/zinc/25/58/21/529255821.db2.gz RMMOZHBHVYIDDS-HNNXBMFYSA-N 1 0 333.501 3.748 50 0 EHAARO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000195558536 535933822 /nfs/dbraw/zinc/93/38/22/535933822.db2.gz HFFBJQXETUQTFZ-SJORKVTESA-N 1 0 333.476 3.912 50 0 EHAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](C)CC1 ZINC000012702030 563667796 /nfs/dbraw/zinc/66/77/96/563667796.db2.gz QPIFKORTVSWILC-UHFFFAOYSA-N 1 0 329.362 3.523 50 0 EHAARO CC(C)[N@H+](C)C1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000000261014 563989893 /nfs/dbraw/zinc/98/98/93/563989893.db2.gz HUKBNIIBZMRGFT-UHFFFAOYSA-N 1 0 325.909 3.841 50 0 EHAARO CC[NH+](CC)CCCNc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000001778459 563411567 /nfs/dbraw/zinc/41/15/67/563411567.db2.gz XOKSNQDXZYSYLB-CYBMUJFWSA-N 1 0 332.517 3.960 50 0 EHAARO C[C@H]([NH2+]C(C)(C)CNC(=O)c1scnc1Cl)c1ccccc1 ZINC000071890176 563419120 /nfs/dbraw/zinc/41/91/20/563419120.db2.gz OUNJFFHMBNSYNV-NSHDSACASA-N 1 0 337.876 3.656 50 0 EHAARO c1ccc2c(c1)nc(NCc1ccncc1)n2CC[NH+]1CCCCC1 ZINC000002214334 563426968 /nfs/dbraw/zinc/42/69/68/563426968.db2.gz HNBJQJACXKSSBA-UHFFFAOYSA-N 1 0 335.455 3.529 50 0 EHAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cncc(-c3ccccc3F)c2)C1 ZINC000034675584 563445193 /nfs/dbraw/zinc/44/51/93/563445193.db2.gz UGFBUAILKYPALL-INIZCTEOSA-N 1 0 342.414 3.663 50 0 EHAARO Cc1cccc(C[NH+]2CCC(N3CCN(c4ccccc4)CC3)CC2)c1 ZINC000002786419 563450935 /nfs/dbraw/zinc/45/09/35/563450935.db2.gz FTORYUFGGQKUMK-UHFFFAOYSA-N 1 0 349.522 3.782 50 0 EHAARO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000071904333 563559639 /nfs/dbraw/zinc/55/96/39/563559639.db2.gz CFBXXFHLHSCIDB-DZGCQCFKSA-N 1 0 332.473 3.800 50 0 EHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000071915345 563619068 /nfs/dbraw/zinc/61/90/68/563619068.db2.gz UJASWBUEBNJNJN-SFHVURJKSA-N 1 0 341.499 3.759 50 0 EHAARO Clc1ccc(N2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000011873301 563651840 /nfs/dbraw/zinc/65/18/40/563651840.db2.gz IOVZJYFMCDOEHB-SFHVURJKSA-N 1 0 342.870 3.902 50 0 EHAARO O=C(NCc1ccccc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012572117 563663345 /nfs/dbraw/zinc/66/33/45/563663345.db2.gz QFHSPQXMPLNJJX-GOSISDBHSA-N 1 0 329.488 3.673 50 0 EHAARO Cc1sc2ncnc(N3CC[NH+](C4CCCCC4)CC3)c2c1C ZINC000013786972 563723222 /nfs/dbraw/zinc/72/32/22/563723222.db2.gz VCZJHEQQCZUHOP-UHFFFAOYSA-N 1 0 330.501 3.763 50 0 EHAARO CC(C)(CO)C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1cccc(F)c1 ZINC000014979533 563769960 /nfs/dbraw/zinc/76/99/60/563769960.db2.gz GHAFRJSUKXKNEZ-KRWDZBQOSA-N 1 0 345.462 3.633 50 0 EHAARO CCc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000016603937 563816594 /nfs/dbraw/zinc/81/65/94/563816594.db2.gz XLBJKKKQTDHSKV-UHFFFAOYSA-N 1 0 328.481 3.705 50 0 EHAARO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016606423 563817289 /nfs/dbraw/zinc/81/72/89/563817289.db2.gz BGBFQAIYASRSBA-UHFFFAOYSA-N 1 0 338.451 3.936 50 0 EHAARO CCN(Cc1ccco1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000043231500 563861075 /nfs/dbraw/zinc/86/10/75/563861075.db2.gz JSNIRNLIQXAHRX-MRXNPFEDSA-N 1 0 347.484 3.710 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2cc1O)c1ccsc1 ZINC000025329875 563883248 /nfs/dbraw/zinc/88/32/48/563883248.db2.gz HQUFLKQOVKMVPB-KRWDZBQOSA-N 1 0 340.448 3.640 50 0 EHAARO Cc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCCC2)cc1 ZINC000027794366 563899756 /nfs/dbraw/zinc/89/97/56/563899756.db2.gz QATSAGGCSVBOFI-IBGZPJMESA-N 1 0 326.415 3.701 50 0 EHAARO CCc1ccccc1NC(=O)CC[N@H+](C)CCCOc1ccccc1 ZINC000072272269 563901410 /nfs/dbraw/zinc/90/14/10/563901410.db2.gz FEWLBTMKVYHBOQ-UHFFFAOYSA-N 1 0 340.467 3.979 50 0 EHAARO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000029487195 563906777 /nfs/dbraw/zinc/90/67/77/563906777.db2.gz CMNFIWZFMHVNFI-OAQYLSRUSA-N 1 0 349.478 3.845 50 0 EHAARO Cc1ccc2[nH]c(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2c1 ZINC000029512754 563907060 /nfs/dbraw/zinc/90/70/60/563907060.db2.gz PSFADPWRLITTTO-INIZCTEOSA-N 1 0 327.453 3.571 50 0 EHAARO Cc1ccc2c(c1)ncn(CC1([NH+]3CCCCC3)CCCC1)c2=O ZINC000032537339 563913946 /nfs/dbraw/zinc/91/39/46/563913946.db2.gz DMQSXJCREDTMAS-UHFFFAOYSA-N 1 0 325.456 3.504 50 0 EHAARO O=C(C[C@@H]1CCCN1Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000177400610 563916135 /nfs/dbraw/zinc/91/61/35/563916135.db2.gz NIRSMMOUSYPGET-LBPRGKRZSA-N 1 0 343.408 3.629 50 0 EHAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000058081486 563937211 /nfs/dbraw/zinc/93/72/11/563937211.db2.gz HVMIASPINQGXDM-CJNGLKHVSA-N 1 0 339.391 3.888 50 0 EHAARO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000058210262 563939986 /nfs/dbraw/zinc/93/99/86/563939986.db2.gz CUUMSUGTLJRCLL-GFCCVEGCSA-N 1 0 329.366 3.559 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000058210263 563939996 /nfs/dbraw/zinc/93/99/96/563939996.db2.gz CUUMSUGTLJRCLL-LBPRGKRZSA-N 1 0 329.366 3.559 50 0 EHAARO CC[NH+](CC)[C@H](CNC(=O)Cc1csc(C(C)C)n1)c1ccco1 ZINC000058280280 563941444 /nfs/dbraw/zinc/94/14/44/563941444.db2.gz ZBOCMXYJUXOVQR-OAHLLOKOSA-N 1 0 349.500 3.601 50 0 EHAARO Cc1cc(C)cc(C(=O)Nc2ccc(N3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000058305322 563942116 /nfs/dbraw/zinc/94/21/16/563942116.db2.gz SGSRMAYIAUPARY-UHFFFAOYSA-N 1 0 349.478 3.840 50 0 EHAARO COCc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000058406955 563945147 /nfs/dbraw/zinc/94/51/47/563945147.db2.gz DPBRDTHBVRQEKG-IBGZPJMESA-N 1 0 341.455 3.566 50 0 EHAARO Cc1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)n1C(C)C ZINC000058936879 563947386 /nfs/dbraw/zinc/94/73/86/563947386.db2.gz CEPWCSPFYFPQAX-UHFFFAOYSA-N 1 0 331.504 3.776 50 0 EHAARO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096415133 563951066 /nfs/dbraw/zinc/95/10/66/563951066.db2.gz RCKSLUSOLPXLDN-FUHWJXTLSA-N 1 0 338.455 3.598 50 0 EHAARO CCc1cc2c(ncnc2N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000033078216 563963413 /nfs/dbraw/zinc/96/34/13/563963413.db2.gz TYGCQVGFXDRUPI-UHFFFAOYSA-N 1 0 330.501 3.708 50 0 EHAARO CC(C)[C@@H]1C[N@H+](Cc2ccoc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071776365 563965758 /nfs/dbraw/zinc/96/57/58/563965758.db2.gz GGSROWLQPQYBRX-IBGZPJMESA-N 1 0 344.430 3.678 50 0 EHAARO CC(C)[C@H]1C[N@H+](Cc2ccoc2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071776366 563965780 /nfs/dbraw/zinc/96/57/80/563965780.db2.gz GGSROWLQPQYBRX-LJQANCHMSA-N 1 0 344.430 3.678 50 0 EHAARO Cc1c2cc(C)ccc2oc1C(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000077377217 563969302 /nfs/dbraw/zinc/96/93/02/563969302.db2.gz NIXRCKBFBOBEAB-AWEZNQCLSA-N 1 0 326.440 3.748 50 0 EHAARO COCCC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000077420527 563969570 /nfs/dbraw/zinc/96/95/70/563969570.db2.gz MKPNPOWMEMSIAQ-SFHVURJKSA-N 1 0 327.472 3.819 50 0 EHAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1C)OCO2 ZINC000077525368 563970204 /nfs/dbraw/zinc/97/02/04/563970204.db2.gz BEEVMVBQNLGDQO-GOSISDBHSA-N 1 0 341.455 3.673 50 0 EHAARO O=C1CCCN1CC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000077538186 563970296 /nfs/dbraw/zinc/97/02/96/563970296.db2.gz OGULGTCNOMRSIM-OAHLLOKOSA-N 1 0 338.854 3.846 50 0 EHAARO COc1ccccc1[C@H](C)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000097037799 563971328 /nfs/dbraw/zinc/97/13/28/563971328.db2.gz MQDAFLMYJOIBOF-INIZCTEOSA-N 1 0 340.467 3.825 50 0 EHAARO CCSc1cccc(CNCc2cnc(Br)cn2)c1 ZINC000585135973 563971892 /nfs/dbraw/zinc/97/18/92/563971892.db2.gz KXAHDEOPJAEZRZ-UHFFFAOYSA-N 1 0 338.274 3.641 50 0 EHAARO CC(C)N1C[C@]2(CCCN(c3cc[nH+]c4ccccc43)C2)CCC1=O ZINC000082120702 563972494 /nfs/dbraw/zinc/97/24/94/563972494.db2.gz ZJTVZOAUKHGQKJ-OAQYLSRUSA-N 1 0 337.467 3.852 50 0 EHAARO CCC[N@@H+]1CCc2nc(SCc3cc(C)ccc3C)[nH]c(=O)c2C1 ZINC000033287215 563972971 /nfs/dbraw/zinc/97/29/71/563972971.db2.gz QXNQKQXHEIGJOT-UHFFFAOYSA-N 1 0 343.496 3.859 50 0 EHAARO O=c1[nH]c2cc(Cl)ccc2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000085221179 563973731 /nfs/dbraw/zinc/97/37/31/563973731.db2.gz SKPVLGLSJVUPFF-UHFFFAOYSA-N 1 0 341.842 3.820 50 0 EHAARO CCCc1cncnc1N1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000095524591 563977472 /nfs/dbraw/zinc/97/74/72/563977472.db2.gz QEXWJQREVGTOEP-UHFFFAOYSA-N 1 0 349.482 3.669 50 0 EHAARO COc1ccc(C(=O)Nc2sc3c(c2C[NH+](C)C)CCCC3)cc1 ZINC000000189997 563987968 /nfs/dbraw/zinc/98/79/68/563987968.db2.gz CEKKFNMJUDIFDJ-UHFFFAOYSA-N 1 0 344.480 3.949 50 0 EHAARO Cc1ccc(-c2cc(C(=O)NCC[NH+](C)C)c3ccccc3n2)cc1C ZINC000000218066 563988750 /nfs/dbraw/zinc/98/87/50/563988750.db2.gz VZXBJCMYJTTYOE-UHFFFAOYSA-N 1 0 347.462 3.810 50 0 EHAARO Cc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccncc1 ZINC000000221128 563988816 /nfs/dbraw/zinc/98/88/16/563988816.db2.gz AXLKTHDCEJTJCK-MRXNPFEDSA-N 1 0 342.512 3.712 50 0 EHAARO CSc1cccc(NC(=S)N2CCC([N@H+](C)C(C)C)CC2)c1 ZINC000000260992 563989901 /nfs/dbraw/zinc/98/99/01/563989901.db2.gz PRLQMJJWUYWCRM-UHFFFAOYSA-N 1 0 337.558 3.910 50 0 EHAARO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000257365679 563993354 /nfs/dbraw/zinc/99/33/54/563993354.db2.gz FYJMLROVGZYTSJ-WBVHZDCISA-N 1 0 337.427 3.549 50 0 EHAARO CC(C)c1cc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)no1 ZINC000124638227 563995240 /nfs/dbraw/zinc/99/52/40/563995240.db2.gz XKUZOGCSSJBZQN-UHFFFAOYSA-N 1 0 333.476 3.571 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccsc1 ZINC000044487041 563995617 /nfs/dbraw/zinc/99/56/17/563995617.db2.gz UFPPUXBPGWKWRY-KWCYVHTRSA-N 1 0 348.434 3.836 50 0 EHAARO CCOC[C@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426477583 563995770 /nfs/dbraw/zinc/99/57/70/563995770.db2.gz OWEAAPAJRNPGJI-HXUWFJFHSA-N 1 0 344.499 3.704 50 0 EHAARO Cc1csc([C@@H]2CN(Cc3cc(F)cc4cccnc43)CCO2)n1 ZINC000065466650 563998239 /nfs/dbraw/zinc/99/82/39/563998239.db2.gz QSFYPFIRVUENMA-INIZCTEOSA-N 1 0 343.427 3.712 50 0 EHAARO C(=C/[C@H]1CCCN1Cc1noc(C2CCOCC2)n1)\c1ccccc1 ZINC000253425714 563999192 /nfs/dbraw/zinc/99/91/92/563999192.db2.gz LPMUQOBVCPOJPJ-GFOMBABLSA-N 1 0 339.439 3.641 50 0 EHAARO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000018222859 564018906 /nfs/dbraw/zinc/01/89/06/564018906.db2.gz YMWPXBVLFPTGOZ-FQEVSTJZSA-N 1 0 348.446 3.507 50 0 EHAARO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccccc2Cl)[C@@H]1C ZINC000013146012 564019597 /nfs/dbraw/zinc/01/95/97/564019597.db2.gz FOYBDPMGKFULCJ-SZXPJGKVSA-N 1 0 325.880 3.632 50 0 EHAARO CCSCc1cccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)c1 ZINC000102316948 564019962 /nfs/dbraw/zinc/01/99/62/564019962.db2.gz PXMZZCFXYNUIPZ-UHFFFAOYSA-N 1 0 345.512 3.808 50 0 EHAARO O=C1N(Cc2ccccc2)c2ccccc2[C@@]12CC[NH2+]C21CCCC1 ZINC000000518810 564020506 /nfs/dbraw/zinc/02/05/06/564020506.db2.gz FQKYLKQXEPLWBG-QFIPXVFZSA-N 1 0 332.447 3.777 50 0 biogenic EHAARO CC[N@H+](CCOc1ccccc1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102950707 564020948 /nfs/dbraw/zinc/02/09/48/564020948.db2.gz JPRYARSHMMNIMS-UHFFFAOYSA-N 1 0 340.467 3.598 50 0 EHAARO COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)cc2c1OCO2 ZINC000015184970 564024064 /nfs/dbraw/zinc/02/40/64/564024064.db2.gz RMZHWTNFQMRIFK-ZDUSSCGKSA-N 1 0 329.396 3.592 50 0 EHAARO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000105778087 564025325 /nfs/dbraw/zinc/02/53/25/564025325.db2.gz UIGAIEDEDLGRPM-VQIMIIECSA-N 1 0 331.481 3.771 50 0 EHAARO CCOc1cc(CN(C)Cc2cc(C)on2)ccc1OC(F)F ZINC000046777211 564025390 /nfs/dbraw/zinc/02/53/90/564025390.db2.gz HCNOCAFMANXNHD-UHFFFAOYSA-N 1 0 326.343 3.615 50 0 EHAARO FC(F)(F)Oc1ccccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000215951692 564033725 /nfs/dbraw/zinc/03/37/25/564033725.db2.gz HIHRCYVJSDCERU-OAHLLOKOSA-N 1 0 328.378 3.645 50 0 EHAARO FC(F)(F)Oc1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000215951646 564033728 /nfs/dbraw/zinc/03/37/28/564033728.db2.gz HIHRCYVJSDCERU-HNNXBMFYSA-N 1 0 328.378 3.645 50 0 EHAARO O=C(NCCC12CCC[NH+]1CCC2)C1(c2ccc(Cl)cc2)CCC1 ZINC000220152764 564035844 /nfs/dbraw/zinc/03/58/44/564035844.db2.gz DPMIZTFWASQAAX-UHFFFAOYSA-N 1 0 346.902 3.896 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000028925056 564047567 /nfs/dbraw/zinc/04/75/67/564047567.db2.gz FMLIGZGQYRQSMK-HNNXBMFYSA-N 1 0 334.423 3.682 50 0 EHAARO COc1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)ccc1SC ZINC000225648544 564048949 /nfs/dbraw/zinc/04/89/49/564048949.db2.gz QOHJUEZUGYCHBI-HXUWFJFHSA-N 1 0 343.492 3.731 50 0 EHAARO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc3c(c2)CCC3)no1 ZINC000244734332 564052268 /nfs/dbraw/zinc/05/22/68/564052268.db2.gz NDOIOJCBNNINRA-LJQANCHMSA-N 1 0 339.439 3.637 50 0 EHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2occc2C)CC1 ZINC000025320311 564054170 /nfs/dbraw/zinc/05/41/70/564054170.db2.gz HPKSPYVZAYHLAQ-UHFFFAOYSA-N 1 0 347.846 3.636 50 0 EHAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)Nc1ccccc1F ZINC000043972160 564058886 /nfs/dbraw/zinc/05/88/86/564058886.db2.gz QMYODCNFCRCPDG-UHFFFAOYSA-N 1 0 347.459 3.921 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000012658783 564062506 /nfs/dbraw/zinc/06/25/06/564062506.db2.gz VDGSGEDIQNWBAS-GPLHXQHMSA-N 1 0 335.532 3.845 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000084205252 564067353 /nfs/dbraw/zinc/06/73/53/564067353.db2.gz JHWZQPMGEBSWFZ-WBVHZDCISA-N 1 0 328.481 3.898 50 0 EHAARO O=C([C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1)N1CCCCC1 ZINC000084519360 564068397 /nfs/dbraw/zinc/06/83/97/564068397.db2.gz YULCXUABPQKFET-FCHUYYIVSA-N 1 0 348.490 3.887 50 0 EHAARO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1 ZINC000005273911 564072758 /nfs/dbraw/zinc/07/27/58/564072758.db2.gz FVGGFBMEWGARAX-LJQANCHMSA-N 1 0 329.403 3.830 50 0 EHAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc(OC)c1O ZINC000015837184 564076469 /nfs/dbraw/zinc/07/64/69/564076469.db2.gz SXIPPPIDZBQMGM-MRXNPFEDSA-N 1 0 331.387 3.886 50 0 EHAARO CCc1ccc([C@@H](CNC(=O)Nc2ccccc2F)[NH+](C)C)cc1 ZINC000012895434 564077672 /nfs/dbraw/zinc/07/76/72/564077672.db2.gz YDWFSRSDHGJQEC-GOSISDBHSA-N 1 0 329.419 3.813 50 0 EHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)nc1 ZINC000088523159 564079566 /nfs/dbraw/zinc/07/95/66/564079566.db2.gz DWCWLDIWFRYICF-HXUWFJFHSA-N 1 0 325.456 3.883 50 0 EHAARO Cc1cc(CN(Cc2ccccc2)C[C@H](O)c2cccs2)on1 ZINC000088604773 564079649 /nfs/dbraw/zinc/07/96/49/564079649.db2.gz DRFQPUBYXVTGGE-KRWDZBQOSA-N 1 0 328.437 3.780 50 0 EHAARO C[NH+](C)Cc1ccc(CNC(=O)c2occc2-c2ccccc2)cc1 ZINC000028022770 564081995 /nfs/dbraw/zinc/08/19/95/564081995.db2.gz LSTBFZJIIGRHJR-UHFFFAOYSA-N 1 0 334.419 3.938 50 0 EHAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3c4c([nH]c32)CCCC4)C1 ZINC000063852873 564082104 /nfs/dbraw/zinc/08/21/04/564082104.db2.gz GYHUONPEMSQFAC-HNNXBMFYSA-N 1 0 339.483 3.508 50 0 EHAARO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000000151286 564082521 /nfs/dbraw/zinc/08/25/21/564082521.db2.gz VMETXHZHSHFXJO-UHFFFAOYSA-N 1 0 332.488 3.976 50 0 EHAARO CC[C@H](C(=O)N1CCC[N@@H+](C2CCSCC2)CC1)c1ccccc1 ZINC000575615979 564083431 /nfs/dbraw/zinc/08/34/31/564083431.db2.gz KKAIPVSKYVNZBA-IBGZPJMESA-N 1 0 346.540 3.610 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccco1)c1csc2ccccc21 ZINC000575621072 564083961 /nfs/dbraw/zinc/08/39/61/564083961.db2.gz NKHOCBRTIADSCW-OAGJVSPASA-N 1 0 340.448 3.927 50 0 EHAARO CCc1oc2ccccc2c1C[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000089280230 564088749 /nfs/dbraw/zinc/08/87/49/564088749.db2.gz IYSIEEUKKNLITE-VBKZILBWSA-N 1 0 339.439 3.596 50 0 EHAARO CS[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000089314102 564089659 /nfs/dbraw/zinc/08/96/59/564089659.db2.gz NGXHLYOKGBQDHJ-OLZOCXBDSA-N 1 0 348.299 3.503 50 0 EHAARO CCc1ccc(NC(=O)[C@H](C)[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000006543390 564091893 /nfs/dbraw/zinc/09/18/93/564091893.db2.gz QUJGHSYPEYHLRX-HNNXBMFYSA-N 1 0 335.451 3.890 50 0 EHAARO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCC2CCCCC2)cc1 ZINC000006558231 564092053 /nfs/dbraw/zinc/09/20/53/564092053.db2.gz IBGGKOLAUJMDKJ-HNNXBMFYSA-N 1 0 334.529 3.925 50 0 EHAARO Cc1cc(O)cc(C)c1-c1ccc2c(c1)OC[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000426429115 564093731 /nfs/dbraw/zinc/09/37/31/564093731.db2.gz VVNLROCXJCNBQF-WIYYLYMNSA-N 1 0 339.435 3.566 50 0 EHAARO Cc1nc(-c2ccccc2Cl)sc1C(=O)NC1CC[NH+](C)CC1 ZINC000065308493 564104897 /nfs/dbraw/zinc/10/48/97/564104897.db2.gz XHRZAZPSCNYBDW-UHFFFAOYSA-N 1 0 349.887 3.596 50 0 EHAARO CC[NH+]1CCC(N(C(=O)c2ccccc2)c2ccccc2OC)CC1 ZINC000065609193 564108256 /nfs/dbraw/zinc/10/82/56/564108256.db2.gz BRIFTTJMGGPXIP-UHFFFAOYSA-N 1 0 338.451 3.826 50 0 EHAARO O=C(C[NH+]1CCCCCC1)Nc1cccc(NCc2cscn2)c1 ZINC000089780530 564113660 /nfs/dbraw/zinc/11/36/60/564113660.db2.gz LZENJFJMENMAKK-UHFFFAOYSA-N 1 0 344.484 3.570 50 0 EHAARO CC(C)c1ncc(CNc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000089893767 564114921 /nfs/dbraw/zinc/11/49/21/564114921.db2.gz CDZBIFJRCSGDIF-UHFFFAOYSA-N 1 0 345.512 3.835 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(F)ccc3o2)[C@@H](CC)C1 ZINC000089948856 564115764 /nfs/dbraw/zinc/11/57/64/564115764.db2.gz PAGJQNQOABTBGA-SUMWQHHRSA-N 1 0 332.419 3.699 50 0 EHAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000090003982 564116156 /nfs/dbraw/zinc/11/61/56/564116156.db2.gz OUIDXYPYQKJPPH-AWEZNQCLSA-N 1 0 342.468 3.591 50 0 EHAARO FC(F)Oc1ccc(Cl)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252467363 564118814 /nfs/dbraw/zinc/11/88/14/564118814.db2.gz GCUXWLLWWFVHNO-AWEZNQCLSA-N 1 0 330.806 3.612 50 0 EHAARO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000252513855 564120223 /nfs/dbraw/zinc/12/02/23/564120223.db2.gz AIXVKPVRVHMNFH-QXAKKESOSA-N 1 0 325.456 3.630 50 0 EHAARO C[C@H](NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000007788128 564123304 /nfs/dbraw/zinc/12/33/04/564123304.db2.gz MCTQACUZXRZMGP-SFHVURJKSA-N 1 0 336.479 3.819 50 0 EHAARO COc1ccc(C)cc1NC(=O)CN1CCc2sccc2[C@H]1C ZINC000007878274 564124309 /nfs/dbraw/zinc/12/43/09/564124309.db2.gz VMACDBPLWFECIJ-CYBMUJFWSA-N 1 0 330.453 3.623 50 0 EHAARO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000253397420 564130563 /nfs/dbraw/zinc/13/05/63/564130563.db2.gz XBXOBYOAKIALQH-JKSUJKDBSA-N 1 0 327.476 3.553 50 0 EHAARO CCC(=O)Nc1cccnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253408233 564130654 /nfs/dbraw/zinc/13/06/54/564130654.db2.gz KNOFQEOCUDMJBE-GOEBONIOSA-N 1 0 333.501 3.787 50 0 biogenic EHAARO C[C@H]1C[C@@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000253417790 564130837 /nfs/dbraw/zinc/13/08/37/564130837.db2.gz HCMVIVCIAYMTBD-JLMWRMLUSA-N 1 0 348.490 3.891 50 0 EHAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000253497511 564132745 /nfs/dbraw/zinc/13/27/45/564132745.db2.gz GLWKVBMAXIHLJD-CUCLYRJJSA-N 1 0 349.559 3.732 50 0 biogenic EHAARO Cc1occc1C(=O)NC1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000093010302 564136900 /nfs/dbraw/zinc/13/69/00/564136900.db2.gz OMTPVOLLOLHFMR-SCLBCKFNSA-N 1 0 342.439 3.699 50 0 EHAARO C[C@@H](NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)c1ccco1 ZINC000095422922 564140170 /nfs/dbraw/zinc/14/01/70/564140170.db2.gz FLBLNEYTWAWAHN-DLBZAZTESA-N 1 0 328.456 3.830 50 0 EHAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC=C(c2ccccc2)C1 ZINC000095465014 564140969 /nfs/dbraw/zinc/14/09/69/564140969.db2.gz YKGCJWAYBRJIJZ-UHFFFAOYSA-N 1 0 346.474 3.824 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cn(C(C)C)c2ccccc12 ZINC000095474868 564141410 /nfs/dbraw/zinc/14/14/10/564141410.db2.gz JSKQQVVKXIHVIZ-SFHVURJKSA-N 1 0 341.499 3.755 50 0 EHAARO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)C(C)(C)O1 ZINC000095946104 564142220 /nfs/dbraw/zinc/14/22/20/564142220.db2.gz UZUMEBXPMHMQSO-GFCCVEGCSA-N 1 0 345.270 3.868 50 0 EHAARO CC1(C)Cc2occc2[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000095967250 564143036 /nfs/dbraw/zinc/14/30/36/564143036.db2.gz DVWLTTWDCHLGBT-MRXNPFEDSA-N 1 0 342.439 3.781 50 0 EHAARO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Br)s1 ZINC000095969146 564143322 /nfs/dbraw/zinc/14/33/22/564143322.db2.gz UADHLPVMVFHVLI-ONENECBXSA-N 1 0 338.270 3.820 50 0 EHAARO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000095988015 564144026 /nfs/dbraw/zinc/14/40/26/564144026.db2.gz UZSGBYSFXKEYFT-GHMZBOCLSA-N 1 0 329.849 3.560 50 0 EHAARO Cc1[nH]c2ccc(C)cc2c1[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000021793235 564148283 /nfs/dbraw/zinc/14/82/83/564148283.db2.gz POMXRVQCPSRLPL-NRFANRHFSA-N 1 0 349.478 3.640 50 0 EHAARO CCc1nc(CC[NH2+]C2CCN(Cc3cccc(F)c3)CC2)cs1 ZINC000096476951 564148492 /nfs/dbraw/zinc/14/84/92/564148492.db2.gz AJRNXGMFABDIMZ-UHFFFAOYSA-N 1 0 347.503 3.641 50 0 EHAARO O=[n+]1c(-c2ccc(Oc3ccccc3)cc2)cn(O)c2c1CCCC2 ZINC000334157777 564148864 /nfs/dbraw/zinc/14/88/64/564148864.db2.gz NENDDRQDHAQQDT-UHFFFAOYSA-N 1 0 335.383 3.978 50 0 EHAARO CCCC[NH2+]C[C@@H](O)CO[C@H](c1ccccc1)c1ccccc1C ZINC000002660213 564152029 /nfs/dbraw/zinc/15/20/29/564152029.db2.gz CHVOWXWAJUQTSR-TZIWHRDSSA-N 1 0 327.468 3.852 50 0 EHAARO C[C@@H](NC(=O)NC1CCCCC1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211502 564156011 /nfs/dbraw/zinc/15/60/11/564156011.db2.gz KSCYWXNRJYTFMU-RHSMWYFYSA-N 1 0 335.517 3.905 50 0 EHAARO Cn1nccc1C1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000058292599 564158406 /nfs/dbraw/zinc/15/84/06/564158406.db2.gz UDKRMWBVYWFSGJ-UHFFFAOYSA-N 1 0 340.402 3.594 50 0 EHAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]1c1ccccn1 ZINC000069486969 564169832 /nfs/dbraw/zinc/16/98/32/564169832.db2.gz UYNICMVNRLBHPN-TZIWHRDSSA-N 1 0 349.478 3.657 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)CCc2cccs2)CC1 ZINC000069654382 564171206 /nfs/dbraw/zinc/17/12/06/564171206.db2.gz MEZLYBRZPKBYMJ-UHFFFAOYSA-N 1 0 343.496 3.826 50 0 EHAARO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(F)cc3cccnc32)cc1 ZINC000069744754 564171990 /nfs/dbraw/zinc/17/19/90/564171990.db2.gz BAUNJXJPYUNFDW-LJQANCHMSA-N 1 0 340.398 3.548 50 0 EHAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Cl ZINC000070928910 564174558 /nfs/dbraw/zinc/17/45/58/564174558.db2.gz PJYDSHLQQLCDMY-UHFFFAOYSA-N 1 0 344.846 3.773 50 0 EHAARO O=C(c1cccnc1)N1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000071841966 564175868 /nfs/dbraw/zinc/17/58/68/564175868.db2.gz BCJPZORMCVCYAD-OAQYLSRUSA-N 1 0 349.478 3.598 50 0 EHAARO CC(C)CC[N@H+](C1CCOCC1)C1CCN(Cc2cccnc2)CC1 ZINC000169752277 1032607213 /nfs/dbraw/zinc/60/72/13/1032607213.db2.gz WQJIUSAYMZFQGR-UHFFFAOYSA-N 1 0 345.531 3.573 50 0 EHAARO CC(=O)c1cccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)c1 ZINC000008590262 1033713658 /nfs/dbraw/zinc/71/36/58/1033713658.db2.gz XMPAIMXBACGJAI-UHFFFAOYSA-N 1 0 343.471 3.619 50 0 EHAARO Cc1c(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2)c2ccccc2n1C ZINC000023373038 1035246709 /nfs/dbraw/zinc/24/67/09/1035246709.db2.gz WQTSJYUCTCEVAS-IBGZPJMESA-N 1 0 348.494 3.636 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)/C=C/c2cnccn2)cc1 ZINC000084692297 1039256451 /nfs/dbraw/zinc/25/64/51/1039256451.db2.gz REDINWVELYUWCN-ZNFPLGDCSA-N 1 0 336.439 3.503 50 0 EHAARO Cc1cc(-c2csc(NC(=O)C3CC[NH+](C4CC4)CC3)n2)c(C)o1 ZINC000195373279 1042810869 /nfs/dbraw/zinc/81/08/69/1042810869.db2.gz SLCDWHIJXXTTTF-UHFFFAOYSA-N 1 0 345.468 3.833 50 0 EHAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3[NH2+]C2CCOCC2)c1 ZINC000012702509 1129454141 /nfs/dbraw/zinc/45/41/41/1129454141.db2.gz QQLIGIIHYNBUBR-LJQANCHMSA-N 1 0 325.456 3.635 50 0 EHAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)C1=CCCC1 ZINC000012386409 1129755067 /nfs/dbraw/zinc/75/50/67/1129755067.db2.gz SVTHZBUUFWNWLE-UHFFFAOYSA-N 1 0 344.474 3.649 50 0 EHAARO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000186935348 1129924861 /nfs/dbraw/zinc/92/48/61/1129924861.db2.gz BBQXTFYOVDVWJD-HXUWFJFHSA-N 1 0 348.450 3.828 50 0 EHAARO Cc1c[nH+]c(C2CCC2)n1C1CCN(C(=O)c2cnccc2C)CC1 ZINC000575550544 1131573347 /nfs/dbraw/zinc/57/33/47/1131573347.db2.gz RJIQCUSVHYZIQK-UHFFFAOYSA-N 1 0 338.455 3.640 50 0 EHAARO COCCCn1c(C)cnc1[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581815725 1132371973 /nfs/dbraw/zinc/37/19/73/1132371973.db2.gz HBZQFWQAKKDJIZ-IBGZPJMESA-N 1 0 327.472 3.526 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000581814070 1132376565 /nfs/dbraw/zinc/37/65/65/1132376565.db2.gz RXFLJICRIWGCNZ-QGZVFWFLSA-N 1 0 329.488 3.888 50 0 EHAARO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cccnc1N(C)C ZINC000585084379 1136972952 /nfs/dbraw/zinc/97/29/52/1136972952.db2.gz TYXSWJRDUQKXNQ-IBGZPJMESA-N 1 0 325.456 3.666 50 0 EHAARO COc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC000192439929 1137455697 /nfs/dbraw/zinc/45/56/97/1137455697.db2.gz BRTCVRYBCSHQGX-LJQANCHMSA-N 1 0 336.479 3.811 50 0 EHAARO Cc1ncc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)o1 ZINC000862252008 1137479692 /nfs/dbraw/zinc/47/96/92/1137479692.db2.gz AUAOJRSYOCEMJQ-QFIPXVFZSA-N 1 0 348.446 3.819 50 0 EHAARO COc1ccc(/C=C/C[NH2+][C@@H](C)CN2CCc3ccccc3C2)cc1 ZINC000952863515 1137482328 /nfs/dbraw/zinc/48/23/28/1137482328.db2.gz WSWIZZDTAHPISB-QWNKOJSDSA-N 1 0 336.479 3.745 50 0 EHAARO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccccc1 ZINC000952848529 1137482746 /nfs/dbraw/zinc/48/27/46/1137482746.db2.gz GZXWKNRMVQJJMA-SFHVURJKSA-N 1 0 343.471 3.803 50 0 EHAARO c1cc(CNC[C@@H]2CCC[N@@H+](C3CCCC3)C2)n(-c2ccccc2)n1 ZINC000952960081 1137483625 /nfs/dbraw/zinc/48/36/25/1137483625.db2.gz BANAVHMDNDIBNB-SFHVURJKSA-N 1 0 338.499 3.617 50 0 EHAARO COc1cc2c(cc1C[NH2+]CCCc1ccccc1F)OCCCO2 ZINC000952977636 1137484779 /nfs/dbraw/zinc/48/47/79/1137484779.db2.gz KPEKFTGZROZGCD-UHFFFAOYSA-N 1 0 345.414 3.718 50 0 EHAARO CC[N@H+](C)C[C@H](C)CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000952985111 1137485500 /nfs/dbraw/zinc/48/55/00/1137485500.db2.gz BRTOERRJJAOMAW-CYBMUJFWSA-N 1 0 334.847 3.918 50 0 EHAARO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)CCCc2cccs2)C1 ZINC000109113624 1140135620 /nfs/dbraw/zinc/13/56/20/1140135620.db2.gz AASYLVUYURZFRA-MRXNPFEDSA-N 1 0 328.481 3.590 50 0 EHAARO O[C@H](C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1cccc(F)c1 ZINC000051120196 214079011 /nfs/dbraw/zinc/07/90/11/214079011.db2.gz NJNMQNCQXYKNPL-GOSISDBHSA-N 1 0 340.398 3.880 50 0 EHAARO CN(C)[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)c1cccs1 ZINC000053945849 214207397 /nfs/dbraw/zinc/20/73/97/214207397.db2.gz NQPYCGNRZPTMFQ-ZDUSSCGKSA-N 1 0 332.498 3.592 50 0 EHAARO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CCSCC1 ZINC000097742647 219052443 /nfs/dbraw/zinc/05/24/43/219052443.db2.gz LYRPECZVZUNWGQ-UHFFFAOYSA-N 1 0 328.481 3.988 50 0 EHAARO COc1cccc(-c2ccc(NC(=O)N3CCCC[C@H]3C[NH3+])cc2)c1 ZINC000097745082 219053722 /nfs/dbraw/zinc/05/37/22/219053722.db2.gz XXQRATPWPXPWML-SFHVURJKSA-N 1 0 339.439 3.707 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccs1 ZINC000055132702 214278276 /nfs/dbraw/zinc/27/82/76/214278276.db2.gz ATHYGXMZNHSWPZ-CYBMUJFWSA-N 1 0 331.441 3.504 50 0 EHAARO CC(C)c1nccn1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055212148 214289980 /nfs/dbraw/zinc/28/99/80/214289980.db2.gz JFXFFCDVDWDVBO-UHFFFAOYSA-N 1 0 341.434 3.716 50 0 EHAARO COc1ccc(C[NH+]2CCC(n3cc(CC(C)C)nn3)CC2)c(C)c1 ZINC000055253901 214296902 /nfs/dbraw/zinc/29/69/02/214296902.db2.gz QTYLHUPIVQAATD-UHFFFAOYSA-N 1 0 342.487 3.631 50 0 EHAARO CC(=O)OCc1c(C)cc(C)c(C[N@@H+](C)[C@H](C)c2ccncn2)c1C ZINC000055327140 214307704 /nfs/dbraw/zinc/30/77/04/214307704.db2.gz LQDXFBBRGXPAHR-MRXNPFEDSA-N 1 0 341.455 3.658 50 0 EHAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000004685495 210247928 /nfs/dbraw/zinc/24/79/28/210247928.db2.gz RKUIWDOFEHKTTD-QGZVFWFLSA-N 1 0 327.424 3.880 50 0 EHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CCC(=O)c2cccs2)C1 ZINC000097931203 219060021 /nfs/dbraw/zinc/06/00/21/219060021.db2.gz GADHFPKRFSFWLG-BZUAXINKSA-N 1 0 348.512 3.575 50 0 EHAARO COc1ccc2c(c1)[C@@](O)(CCC[NH+](C)C)c1ccccc1S2 ZINC000004626657 210235924 /nfs/dbraw/zinc/23/59/24/210235924.db2.gz LAYVFLWAVIGDLK-LJQANCHMSA-N 1 0 329.465 3.738 50 0 in-man EHAARO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCCCSc1ccccc1 ZINC000049581339 214019906 /nfs/dbraw/zinc/01/99/06/214019906.db2.gz MTUAQGLAHCIRFJ-KRWDZBQOSA-N 1 0 342.508 3.978 50 0 EHAARO CC(=O)N1CCCC[C@H]1C1=CCC[N@H+](CCCc2ccccc2)C1 ZINC000065492855 214932096 /nfs/dbraw/zinc/93/20/96/214932096.db2.gz QIFDKOFUEIJTHG-NRFANRHFSA-N 1 0 326.484 3.652 50 0 EHAARO CCC[NH+]1CCC(CC(=O)N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000067490167 215153080 /nfs/dbraw/zinc/15/30/80/215153080.db2.gz KEZDQAILBBTAIV-UHFFFAOYSA-N 1 0 339.483 3.565 50 0 EHAARO CC(CNc1ncnc2c1CC[NH2+]C2)(c1ccccc1)c1ccccc1 ZINC000067678857 215183280 /nfs/dbraw/zinc/18/32/80/215183280.db2.gz MAHXFHSZTVRLGU-UHFFFAOYSA-N 1 0 344.462 3.540 50 0 EHAARO CC[C@H](O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067851523 215231134 /nfs/dbraw/zinc/23/11/34/215231134.db2.gz IFGACTQOKCNFBY-KRWDZBQOSA-N 1 0 347.842 3.678 50 0 EHAARO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2oc3ccc(C)cc3c2C)C1 ZINC000067895853 215243620 /nfs/dbraw/zinc/24/36/20/215243620.db2.gz SBEDCYFIDKSDDQ-KRWDZBQOSA-N 1 0 328.456 3.788 50 0 EHAARO CCOc1ccc2[nH]c(=O)c(C[N@@H+]3CCC[C@H]3c3ccccn3)cc2c1 ZINC000067921128 215251335 /nfs/dbraw/zinc/25/13/35/215251335.db2.gz CIJKQYQJIDVMMS-FQEVSTJZSA-N 1 0 349.434 3.659 50 0 EHAARO Cc1c(-c2ccc(F)cc2)[n+](=O)c(-c2ccc(F)cc2)c(C)n1O ZINC000104272090 219367704 /nfs/dbraw/zinc/36/77/04/219367704.db2.gz NXTUMCLUFSYGJC-UHFFFAOYSA-N 1 0 329.326 3.869 50 0 EHAARO COc1ccc2c(c1)OC1(CC[NH+](Cc3ccccc3)CC1)CC2=O ZINC000039226991 213233309 /nfs/dbraw/zinc/23/33/09/213233309.db2.gz IUVRAAHOJCKZJL-UHFFFAOYSA-N 1 0 337.419 3.695 50 0 EHAARO CCOc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000858714 209693029 /nfs/dbraw/zinc/69/30/29/209693029.db2.gz HLICTAUPBASVHP-UHFFFAOYSA-N 1 0 335.517 3.681 50 0 EHAARO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098680 213065745 /nfs/dbraw/zinc/06/57/45/213065745.db2.gz IKXDVGXKLLMNCI-GOSISDBHSA-N 1 0 331.456 3.766 50 0 EHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C)cc1 ZINC000036095301 213064058 /nfs/dbraw/zinc/06/40/58/213064058.db2.gz MXAOLYADGZBOJT-LJQANCHMSA-N 1 0 337.504 3.577 50 0 EHAARO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953232 215979499 /nfs/dbraw/zinc/97/94/99/215979499.db2.gz FXFBJGYQCUTTJL-KRWDZBQOSA-N 1 0 346.490 3.727 50 0 EHAARO Fc1ccc(N2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000072128082 216019543 /nfs/dbraw/zinc/01/95/43/216019543.db2.gz MMLPNKKYWDRYBO-UHFFFAOYSA-N 1 0 340.402 3.521 50 0 EHAARO c1[nH]c2ccccc2c1-c1nc2c(c(N3CCCCCC3)n1)C[NH2+]C2 ZINC000072171585 216062827 /nfs/dbraw/zinc/06/28/27/216062827.db2.gz RTBZCHLFCPBTJA-UHFFFAOYSA-N 1 0 333.439 3.609 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000072253563 216083569 /nfs/dbraw/zinc/08/35/69/216083569.db2.gz RHQGAFMUXKLTGV-IBGZPJMESA-N 1 0 335.455 3.560 50 0 EHAARO Cc1ccc([C@@H](Cn2ccnc2-c2ccnc(C(C)C)n2)[NH+](C)C)o1 ZINC000072408857 216200030 /nfs/dbraw/zinc/20/00/30/216200030.db2.gz ZTUDFHYCULWICL-MRXNPFEDSA-N 1 0 339.443 3.668 50 0 EHAARO CC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC[N@@H+]1C(C)C ZINC000072421552 216210098 /nfs/dbraw/zinc/21/00/98/216210098.db2.gz DMQQWASBKKNCKB-HXUWFJFHSA-N 1 0 340.515 3.998 50 0 EHAARO CC(C)Nc1ccnc(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000072424524 216215229 /nfs/dbraw/zinc/21/52/29/216215229.db2.gz TVFRAWDJZZTCKF-INIZCTEOSA-N 1 0 343.450 3.513 50 0 EHAARO Cc1[nH+]c(CN2CCC[C@@H](C(=O)c3ccccc3)C2)c2ccccn12 ZINC000072447219 216237108 /nfs/dbraw/zinc/23/71/08/216237108.db2.gz XWSIJZYKLJIQNL-GOSISDBHSA-N 1 0 333.435 3.738 50 0 EHAARO O=C(COCc1ccccc1)N[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1 ZINC000072480112 216260218 /nfs/dbraw/zinc/26/02/18/216260218.db2.gz HWONLWFWAYNTEU-UXHICEINSA-N 1 0 344.499 3.553 50 0 EHAARO C[NH+](C)[C@@H](CNC(=S)Nc1ccc(F)cc1F)c1cccs1 ZINC000023776239 212394804 /nfs/dbraw/zinc/39/48/04/212394804.db2.gz KNYVNLVBBGJOQS-ZDUSSCGKSA-N 1 0 341.452 3.616 50 0 EHAARO CC(=O)Nc1ccc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)cc1 ZINC000023373704 212372996 /nfs/dbraw/zinc/37/29/96/212372996.db2.gz DDLGVPWFXVWKIW-NRFANRHFSA-N 1 0 343.515 3.779 50 0 EHAARO CCC[NH+]1CCN(Cc2csc(Nc3ccc(C)cc3)n2)CC1 ZINC000022883047 212331799 /nfs/dbraw/zinc/33/17/99/212331799.db2.gz MCIXPTKAYFPZHA-UHFFFAOYSA-N 1 0 330.501 3.723 50 0 EHAARO Fc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CCCO3)CC2)c1 ZINC000214981800 241099271 /nfs/dbraw/zinc/09/92/71/241099271.db2.gz NZTTZAOYJMQDCP-IBGZPJMESA-N 1 0 329.419 3.751 50 0 EHAARO CCSC[C@H]1CCC[N@@H+]1C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000206792361 241050997 /nfs/dbraw/zinc/05/09/97/241050997.db2.gz IRHDAFZYWHWIDM-GOSISDBHSA-N 1 0 347.528 3.900 50 0 EHAARO O=C1CCC2(CC[NH+](Cc3cccc(-c4ccco4)c3)CC2)CCN1 ZINC000215987132 241156047 /nfs/dbraw/zinc/15/60/47/241156047.db2.gz NCISNVSUAJRWLT-UHFFFAOYSA-N 1 0 338.451 3.829 50 0 EHAARO Cc1nc(CC2CC[NH+](Cc3[nH]c4ccccc4c3Cl)CC2)no1 ZINC000216222348 241174437 /nfs/dbraw/zinc/17/44/37/241174437.db2.gz MVOSFBQJUHNCFW-UHFFFAOYSA-N 1 0 344.846 3.967 50 0 EHAARO CCCn1cc(CN2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(C)n1 ZINC000216460788 241195276 /nfs/dbraw/zinc/19/52/76/241195276.db2.gz PNGREFOBYFOWMG-HXUWFJFHSA-N 1 0 332.536 3.544 50 0 EHAARO S=c1oc2ccccc2n1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022035776 212273274 /nfs/dbraw/zinc/27/32/74/212273274.db2.gz YIWHFMWCKLPVEK-UHFFFAOYSA-N 1 0 339.464 3.739 50 0 EHAARO O=C(c1cccc(-c2ccc(F)cc2)c1)N1CC([NH+]2CCCCC2)C1 ZINC000219076011 241364737 /nfs/dbraw/zinc/36/47/37/241364737.db2.gz QITXOJDNNYTODI-UHFFFAOYSA-N 1 0 338.426 3.803 50 0 EHAARO Cc1cccc(C)c1C[N@@H+]1CCc2nc(-c3cccc(CO)c3)[nH]c2C1 ZINC000219242855 241371617 /nfs/dbraw/zinc/37/16/17/241371617.db2.gz GPTGMAHCSSZGFR-UHFFFAOYSA-N 1 0 347.462 3.744 50 0 EHAARO COc1ccc(C)cc1NC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000225389450 241836892 /nfs/dbraw/zinc/83/68/92/241836892.db2.gz PZPWCQDNRRDEFT-BEFAXECRSA-N 1 0 341.455 3.817 50 0 EHAARO Cc1nc(CC[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cs1 ZINC000225843818 242059099 /nfs/dbraw/zinc/05/90/99/242059099.db2.gz RHWHCQPMFXLEDN-UHFFFAOYSA-N 1 0 334.460 3.814 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)NCc3ccccc3)CC2)C1 ZINC000021718215 212242479 /nfs/dbraw/zinc/24/24/79/212242479.db2.gz ZSGWHQCVAYSFKY-ROUUACIJSA-N 1 0 343.515 3.586 50 0 EHAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000229767193 242198487 /nfs/dbraw/zinc/19/84/87/242198487.db2.gz JMGJKFSPPDAOHV-HNAYVOBHSA-N 1 0 333.435 3.733 50 0 EHAARO CCOc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCC2)c1 ZINC000021170569 212213771 /nfs/dbraw/zinc/21/37/71/212213771.db2.gz NZFCKUZESWSOCP-LJQANCHMSA-N 1 0 344.499 3.956 50 0 EHAARO Cc1nn(C)c(Cl)c1CN[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000020994278 212195324 /nfs/dbraw/zinc/19/53/24/212195324.db2.gz OTBUPNIAZRXRPY-INIZCTEOSA-N 1 0 338.927 3.516 50 0 EHAARO CSc1ccc(C[NH2+]C[C@]2(c3cccc(F)c3)CCOC2)cc1 ZINC000020906494 212186377 /nfs/dbraw/zinc/18/63/77/212186377.db2.gz GTQTZFAFQKGDCM-LJQANCHMSA-N 1 0 331.456 3.996 50 0 EHAARO COc1ccccc1[C@H](C[NH2+][C@H](C)c1cc(C)n(C)n1)OC(C)C ZINC000242324491 243017794 /nfs/dbraw/zinc/01/77/94/243017794.db2.gz ZBTGKPRWCSPZJK-BEFAXECRSA-N 1 0 331.460 3.554 50 0 EHAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccco1)NCc1cccc(Cl)c1 ZINC000244708302 243062166 /nfs/dbraw/zinc/06/21/66/243062166.db2.gz KRHIXKZLVMDJSB-INIZCTEOSA-N 1 0 332.831 3.776 50 0 EHAARO C[N@@H+](Cc1ccc2c3c1cccc3C(=O)OC2)C[C@@H]1CCCCO1 ZINC000244773727 243077044 /nfs/dbraw/zinc/07/70/44/243077044.db2.gz PFJHGMJHLSQUHO-INIZCTEOSA-N 1 0 325.408 3.511 50 0 EHAARO O=C(CC[N@H+]1CCCC[C@@H]1c1cccc(F)c1)Nc1nccs1 ZINC000244735080 243073612 /nfs/dbraw/zinc/07/36/12/243073612.db2.gz NSTHEKUFJZIFPG-OAHLLOKOSA-N 1 0 333.432 3.838 50 0 EHAARO CC[NH+](CC)CCNc1ccc(-c2ccc(Br)cc2)nn1 ZINC000020735163 212166725 /nfs/dbraw/zinc/16/67/25/212166725.db2.gz JOTRMVIEQFTNFY-UHFFFAOYSA-N 1 0 349.276 3.660 50 0 EHAARO Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000020603336 212152107 /nfs/dbraw/zinc/15/21/07/212152107.db2.gz WIBPPNCXBNYITF-KRWDZBQOSA-N 1 0 340.471 3.686 50 0 EHAARO O=C(NCCc1c[nH]c2ccccc12)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020599628 212151221 /nfs/dbraw/zinc/15/12/21/212151221.db2.gz BKTDEVURGZTCMC-MRXNPFEDSA-N 1 0 339.464 3.626 50 0 EHAARO CN(C)CC[NH2+]CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000020548617 212146922 /nfs/dbraw/zinc/14/69/22/212146922.db2.gz KRSFVMWBUGYVDM-UXHICEINSA-N 1 0 332.532 3.592 50 0 EHAARO Cc1ccc(-c2cccc(CN3CC[N@@H+](C(C)C)[C@@H](CCO)C3)c2)o1 ZINC000020448959 212130105 /nfs/dbraw/zinc/13/01/05/212130105.db2.gz LLFDUKIGWXTYIT-FQEVSTJZSA-N 1 0 342.483 3.532 50 0 EHAARO CCC[C@@](O)(c1ccccc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020444468 212128873 /nfs/dbraw/zinc/12/88/73/212128873.db2.gz HRDCJVIMZVXUNA-FCHUYYIVSA-N 1 0 339.479 3.790 50 0 EHAARO [NH3+]CC[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2F)C1 ZINC000020232550 212113807 /nfs/dbraw/zinc/11/38/07/212113807.db2.gz YCNGQMZONLIEOK-OAHLLOKOSA-N 1 0 326.415 3.694 50 0 EHAARO Cc1cccnc1C[C@H](C)N(C)C(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020149324 212106525 /nfs/dbraw/zinc/10/65/25/212106525.db2.gz NMCIFNLODLKHFE-LSDHHAIUSA-N 1 0 343.496 3.579 50 0 EHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000020102877 212100572 /nfs/dbraw/zinc/10/05/72/212100572.db2.gz ICZPPTVINIUUAP-UHFFFAOYSA-N 1 0 336.479 3.566 50 0 EHAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000077390922 216892492 /nfs/dbraw/zinc/89/24/92/216892492.db2.gz POTAMZRJBLAKTG-OAHLLOKOSA-N 1 0 341.484 3.780 50 0 EHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cc(OC)ccc3F)c2c1 ZINC000019848658 212076181 /nfs/dbraw/zinc/07/61/81/212076181.db2.gz RKIVDQBFOBKBMA-UHFFFAOYSA-N 1 0 342.414 3.965 50 0 EHAARO COc1ccc([C@@H](c2c(C)[nH]c3ccccc32)[NH+]2CCN(C)CC2)cc1 ZINC000019864066 212077636 /nfs/dbraw/zinc/07/76/36/212077636.db2.gz CQIUJGWVQLAHIG-QFIPXVFZSA-N 1 0 349.478 3.822 50 0 EHAARO COc1cc(OC)c(/C=C/c2c3ccccc3cc[n+]2C)c(OC)c1 ZINC000017046599 211946946 /nfs/dbraw/zinc/94/69/46/211946946.db2.gz CIAUCZVNWTYDQR-MDZDMXLPSA-N 1 0 336.411 3.861 50 0 EHAARO OC[C@]1(CCc2ccccc2)CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012471387 211390611 /nfs/dbraw/zinc/39/06/11/211390611.db2.gz AKQPFJTXYNGMGO-QHCPKHFHSA-N 1 0 335.491 3.861 50 0 EHAARO O=C(CC[C@H]1CCC[N@H+](Cc2cccnc2)C1)Nc1ccccc1F ZINC000012460074 211388474 /nfs/dbraw/zinc/38/84/74/211388474.db2.gz KZTZVVNQWCTFRE-MRXNPFEDSA-N 1 0 341.430 3.852 50 0 EHAARO O[C@@H](COc1ccccc1-c1ccccc1)C[NH+]1CCCCCC1 ZINC000012420087 211375029 /nfs/dbraw/zinc/37/50/29/211375029.db2.gz XUYIFIILHXKFPN-LJQANCHMSA-N 1 0 325.452 3.969 50 0 EHAARO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012297466 211335133 /nfs/dbraw/zinc/33/51/33/211335133.db2.gz TVJZRFHGDMTJAR-VYFWZWAVSA-N 1 0 330.447 3.606 50 0 EHAARO COc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000012228925 211325154 /nfs/dbraw/zinc/32/51/54/211325154.db2.gz XXOJGWINCMNNLX-UHFFFAOYSA-N 1 0 325.452 3.512 50 0 EHAARO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccco3)[N@@H+]3CCC[C@@]23C1=O ZINC000012092354 211290113 /nfs/dbraw/zinc/29/01/13/211290113.db2.gz QKLVTVHZGHVAST-WFXMLNOXSA-N 1 0 336.435 3.526 50 0 EHAARO O=C1N(CC2CCC2)CCC[C@@]12CC[N@@H+](Cc1ccc(F)cc1F)C2 ZINC000012005615 211279689 /nfs/dbraw/zinc/27/96/89/211279689.db2.gz DABRHCUUWLNIBV-FQEVSTJZSA-N 1 0 348.437 3.579 50 0 EHAARO Cc1ccc(C)c(-n2cc(C[N@H+](C)CCO)c(-c3ccccc3)n2)c1 ZINC000012002884 211279429 /nfs/dbraw/zinc/27/94/29/211279429.db2.gz HZUKFQXXTYRFPO-UHFFFAOYSA-N 1 0 335.451 3.580 50 0 EHAARO CC(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000011667848 211231903 /nfs/dbraw/zinc/23/19/03/211231903.db2.gz KRVFMECDRKDYJW-SFHVURJKSA-N 1 0 339.439 3.933 50 0 EHAARO CC1(C)CC(NC(=O)c2ccc(C(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000010814879 211191065 /nfs/dbraw/zinc/19/10/65/211191065.db2.gz HEPWLCOEDIHBGD-UHFFFAOYSA-N 1 0 328.378 3.744 50 0 EHAARO O=C1N(C2CCCCC2)CCC[C@]12CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000092078070 218116284 /nfs/dbraw/zinc/11/62/84/218116284.db2.gz IIPRHJNFNRYKQV-OAQYLSRUSA-N 1 0 344.474 3.973 50 0 EHAARO C[NH+](C)Cc1ccc(C(N)=O)cc1NCc1cccc2ccccc21 ZINC000092171343 218124915 /nfs/dbraw/zinc/12/49/15/218124915.db2.gz ZVKDKYMBSCAFLO-UHFFFAOYSA-N 1 0 333.435 3.612 50 0 EHAARO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000009882518 211129827 /nfs/dbraw/zinc/12/98/27/211129827.db2.gz FWHIWBXGMULHIZ-OAHLLOKOSA-N 1 0 334.419 3.965 50 0 EHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1-c1cccc(F)c1)C2 ZINC000095381141 218313268 /nfs/dbraw/zinc/31/32/68/218313268.db2.gz OOBIZORMCQHZKT-HNAYVOBHSA-N 1 0 342.462 3.522 50 0 EHAARO c1ccc2c(c1)[nH+]ccc2N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000095394646 218326403 /nfs/dbraw/zinc/32/64/03/218326403.db2.gz KIKSVNLGPSUYMA-INIZCTEOSA-N 1 0 347.466 3.937 50 0 EHAARO C[NH+](C)CCSc1ccc(NC(=O)N2C[C@@H]3CC=CC[C@H]3C2)cc1 ZINC000095403934 218339673 /nfs/dbraw/zinc/33/96/73/218339673.db2.gz WKPNSSLHGDSYOY-HOTGVXAUSA-N 1 0 345.512 3.770 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc2ccccc2o1 ZINC000095419775 218359398 /nfs/dbraw/zinc/35/93/98/218359398.db2.gz IDBPEBHISNCAJJ-HNNXBMFYSA-N 1 0 332.407 3.923 50 0 EHAARO COc1cccc([C@H](C[C@H]2CCCO2)[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000095419585 218359451 /nfs/dbraw/zinc/35/94/51/218359451.db2.gz WCEAMROCDLHDPD-RTWAWAEBSA-N 1 0 344.499 3.522 50 0 EHAARO O=C(NCc1ccco1)c1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000095420527 218361662 /nfs/dbraw/zinc/36/16/62/218361662.db2.gz IGWVFLWVKAMOQW-NRFANRHFSA-N 1 0 346.430 3.987 50 0 EHAARO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000095420837 218362075 /nfs/dbraw/zinc/36/20/75/218362075.db2.gz PGBRCZAAHXPXAA-KDOFPFPSSA-N 1 0 344.480 3.586 50 0 EHAARO O=C(CC[NH+]1CCCCC1)Nc1cccc(NCc2cscn2)c1 ZINC000095429077 218371946 /nfs/dbraw/zinc/37/19/46/218371946.db2.gz KWFWBTXWTMPSTB-UHFFFAOYSA-N 1 0 344.484 3.570 50 0 EHAARO Cc1nc(-c2ccccc2)ccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000095952511 218460906 /nfs/dbraw/zinc/46/09/06/218460906.db2.gz CSQUSUYOXZYZQN-UHFFFAOYSA-N 1 0 337.467 3.661 50 0 EHAARO O=C(NCCC[NH+]1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000007923175 210864031 /nfs/dbraw/zinc/86/40/31/210864031.db2.gz CBJQMOXBEKRTCU-UHFFFAOYSA-N 1 0 336.479 3.811 50 0 EHAARO Cc1csc(N2CCC([NH2+][C@H](C)C[C@H](O)c3ccccc3)CC2)n1 ZINC000095978060 218482241 /nfs/dbraw/zinc/48/22/41/218482241.db2.gz NPIMJQACTMELJZ-KDOFPFPSSA-N 1 0 345.512 3.522 50 0 EHAARO CCC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000005061100 210380671 /nfs/dbraw/zinc/38/06/71/210380671.db2.gz VOKMFEIZQLHGOK-UHFFFAOYSA-N 1 0 330.259 3.989 50 0 EHAARO CCC(CC)c1cc(C(=O)N[C@@H]2CC[C@H]([NH+]3CCCCC3)C2)on1 ZINC000328591320 258044200 /nfs/dbraw/zinc/04/42/00/258044200.db2.gz AELJPTRWCFTUQZ-CVEARBPZSA-N 1 0 333.476 3.715 50 0 EHAARO O=C1[C@@H]2CCCC[C@@H]2[C@@H]([NH2+]CCc2ccccc2)N1Cc1ccccc1 ZINC000334163098 258016120 /nfs/dbraw/zinc/01/61/20/258016120.db2.gz LMZZXKYFXFRXTN-BDTNDASRSA-N 1 0 348.490 3.994 50 0 EHAARO O=C(Nc1ccccc1)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000299801204 258104252 /nfs/dbraw/zinc/10/42/52/258104252.db2.gz WDMJBCDNMRGQSR-QUCCMNQESA-N 1 0 335.451 3.815 50 0 EHAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000269249271 525009517 /nfs/dbraw/zinc/00/95/17/525009517.db2.gz FQULFCMFMSWKTK-MGPQQGTHSA-N 1 0 342.405 3.785 50 0 EHAARO C[NH+](C)CCN(C(=O)Nc1ccc(C(C)(C)C)cc1)C1CCOCC1 ZINC000207958272 535843880 /nfs/dbraw/zinc/84/38/80/535843880.db2.gz XYOMNBOMDZXHRP-UHFFFAOYSA-N 1 0 347.503 3.559 50 0 EHAARO CCc1cccc(C)c1NC(=O)CC[N@H+](C)CC[C@@H]1CCCCO1 ZINC000244884037 535861156 /nfs/dbraw/zinc/86/11/56/535861156.db2.gz YDYOSWMUXLSKKZ-SFHVURJKSA-N 1 0 332.488 3.777 50 0 EHAARO COc1ccc(-c2ccc(CN3CC[N@@H+]4CCCC[C@@H]4C3)o2)cc1 ZINC000216282078 536895823 /nfs/dbraw/zinc/89/58/23/536895823.db2.gz NIKDFKMJBRWTJV-QGZVFWFLSA-N 1 0 326.440 3.625 50 0 EHAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212365 563261240 /nfs/dbraw/zinc/26/12/40/563261240.db2.gz UKVLMUAKVYCBPY-IBGZPJMESA-N 1 0 344.499 3.700 50 0 EHAARO Cc1ccc(N2CCC([NH2+][C@H](C)c3cnn(C)c3)CC2)cc1Cl ZINC000584903546 563421745 /nfs/dbraw/zinc/42/17/45/563421745.db2.gz LSIWTFUHPDURDD-CQSZACIVSA-N 1 0 332.879 3.702 50 0 EHAARO C[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002559943 563441583 /nfs/dbraw/zinc/44/15/83/563441583.db2.gz UYNVMODNBIQBMV-HRAATJIYSA-N 1 0 325.452 3.769 50 0 biogenic,world EHAARO c1ccc(N2CCN(C3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000002734680 563447327 /nfs/dbraw/zinc/44/73/27/563447327.db2.gz NESATOWNPUZAPY-UHFFFAOYSA-N 1 0 341.543 3.996 50 0 EHAARO CCOC(=O)C1CC[NH+](CCCOc2ccc(Cl)c(C)c2)CC1 ZINC000006729110 563583439 /nfs/dbraw/zinc/58/34/39/563583439.db2.gz JYHJNBQUBRWUQD-UHFFFAOYSA-N 1 0 339.863 3.692 50 0 EHAARO Cc1ccc(N2C[C@](O)(c3cccs3)[N+]3=C2CCCCC3)cc1 ZINC000002974484 563623511 /nfs/dbraw/zinc/62/35/11/563623511.db2.gz OYXAYPSJFIELGX-IBGZPJMESA-N 1 0 327.473 3.707 50 0 EHAARO CC(C)=CCSc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071921772 563627167 /nfs/dbraw/zinc/62/71/67/563627167.db2.gz JJGZJIYABRFPKP-MRXNPFEDSA-N 1 0 344.524 3.959 50 0 EHAARO O=C(c1ccccc1)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2)C1 ZINC000032561064 563649271 /nfs/dbraw/zinc/64/92/71/563649271.db2.gz SCUUTEDYFUSFSY-PZJWPPBQSA-N 1 0 334.463 3.860 50 0 EHAARO CC1CCC(N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000032779402 563732768 /nfs/dbraw/zinc/73/27/68/563732768.db2.gz ZUJXNSNOVBNCCV-UHFFFAOYSA-N 1 0 343.515 3.871 50 0 EHAARO Cc1cc(C)c(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)o1 ZINC000015064286 563774572 /nfs/dbraw/zinc/77/45/72/563774572.db2.gz SKYWRNSLUJCSFD-IBGZPJMESA-N 1 0 340.467 3.676 50 0 EHAARO Cc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2F)C1 ZINC000015063843 563774763 /nfs/dbraw/zinc/77/47/63/563774763.db2.gz AOGRTSVVLADOCG-OAQYLSRUSA-N 1 0 327.443 3.951 50 0 EHAARO CCCC[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000015356886 563783502 /nfs/dbraw/zinc/78/35/02/563783502.db2.gz AHSCVGPJVKLGCZ-UHFFFAOYSA-N 1 0 327.424 3.927 50 0 EHAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1Cl ZINC000032911534 563804387 /nfs/dbraw/zinc/80/43/87/563804387.db2.gz IPAAJEWADDZFJU-INIZCTEOSA-N 1 0 328.843 3.734 50 0 EHAARO CC[NH+]1CCC(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000016602751 563815809 /nfs/dbraw/zinc/81/58/09/563815809.db2.gz INIDXRAUCBVPJM-UHFFFAOYSA-N 1 0 346.515 3.742 50 0 EHAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)NCCc1ccc(Cl)cc1 ZINC000016695444 563821067 /nfs/dbraw/zinc/82/10/67/563821067.db2.gz GVNBIRWSWSSEJR-LJQANCHMSA-N 1 0 342.870 3.666 50 0 EHAARO COc1ccccc1[C@H](CNC(=O)C1CCCCC1)[NH+]1CCCC1 ZINC000023985220 563867837 /nfs/dbraw/zinc/86/78/37/563867837.db2.gz RMCMNJGXHSPQBI-SFHVURJKSA-N 1 0 330.472 3.529 50 0 EHAARO COc1ccccc1NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000024673154 563873832 /nfs/dbraw/zinc/87/38/32/563873832.db2.gz MNMVRQWJQGIYBK-INIZCTEOSA-N 1 0 338.451 3.934 50 0 EHAARO COc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027580743 563896851 /nfs/dbraw/zinc/89/68/51/563896851.db2.gz ZWUHJJDRYUIKCG-MRXNPFEDSA-N 1 0 344.480 3.714 50 0 EHAARO CSc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000029489188 563906812 /nfs/dbraw/zinc/90/68/12/563906812.db2.gz RJMSCKGHVHQFLX-GOSISDBHSA-N 1 0 326.465 3.966 50 0 EHAARO Clc1cccc(C[NH2+]Cc2ccccc2Cn2cncn2)c1Cl ZINC000030900820 563911665 /nfs/dbraw/zinc/91/16/65/563911665.db2.gz JUNWLCSCRPATFT-UHFFFAOYSA-N 1 0 347.249 3.923 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000002861003 563917624 /nfs/dbraw/zinc/91/76/24/563917624.db2.gz QOVIQRJRTXKFJU-UHFFFAOYSA-N 1 0 343.858 3.910 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000269239525 563920597 /nfs/dbraw/zinc/92/05/97/563920597.db2.gz CGOFZMUMEOHHOW-TZCMFKBTSA-N 1 0 341.282 3.683 50 0 EHAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)c2ccccc2)cc1 ZINC000058024364 563936855 /nfs/dbraw/zinc/93/68/55/563936855.db2.gz RCEUSDLWYIBEQL-HXUWFJFHSA-N 1 0 338.451 3.885 50 0 EHAARO CSc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000058379338 563944346 /nfs/dbraw/zinc/94/43/46/563944346.db2.gz BWELFFBZPDUNOK-CYBMUJFWSA-N 1 0 340.920 3.912 50 0 EHAARO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc(C(N)=O)c1 ZINC000058407202 563945141 /nfs/dbraw/zinc/94/51/41/563945141.db2.gz CMURVXLITFUDHU-UHFFFAOYSA-N 1 0 349.434 3.505 50 0 EHAARO Cc1[nH]c2ccccc2c1C(=O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000058418199 563945622 /nfs/dbraw/zinc/94/56/22/563945622.db2.gz WGDKACYIVBICHD-UHFFFAOYSA-N 1 0 339.483 3.609 50 0 EHAARO Cc1ncsc1CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000096424357 563951925 /nfs/dbraw/zinc/95/19/25/563951925.db2.gz UJARJUNUSDQBBT-UHFFFAOYSA-N 1 0 326.469 3.750 50 0 EHAARO Cc1nc(C[N@@H+](C)C2CCC(NC(=O)OC(C)(C)C)CC2)oc1C ZINC000096455320 563953877 /nfs/dbraw/zinc/95/38/77/563953877.db2.gz WXVDIFOTLYUWLP-UHFFFAOYSA-N 1 0 337.464 3.559 50 0 EHAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000096477571 563955074 /nfs/dbraw/zinc/95/50/74/563955074.db2.gz HOFBVHLQYWJKSC-HNNXBMFYSA-N 1 0 327.424 3.900 50 0 EHAARO C[NH+]1CCC(NC(=O)c2ccccc2SCc2ccccc2)CC1 ZINC000065364782 563958250 /nfs/dbraw/zinc/95/82/50/563958250.db2.gz BHGIPVJPOAECNU-UHFFFAOYSA-N 1 0 340.492 3.803 50 0 EHAARO O=C(CC[N@@H+]1CCCC[C@@H]1c1cccnc1)NC1CCCCCC1 ZINC000065376176 563958901 /nfs/dbraw/zinc/95/89/01/563958901.db2.gz CQMZFNYAZYZJNP-LJQANCHMSA-N 1 0 329.488 3.838 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000065381297 563959090 /nfs/dbraw/zinc/95/90/90/563959090.db2.gz TVNWTKGGILLMTJ-SIHNGCNOSA-N 1 0 326.484 3.731 50 0 EHAARO c1nc(-c2ccccc2)c([C@H]2CCOC2)n1CC[NH+]1CCCCC1 ZINC000065394687 563959554 /nfs/dbraw/zinc/95/95/54/563959554.db2.gz PUXSGGVVQFGBIN-SFHVURJKSA-N 1 0 325.456 3.540 50 0 EHAARO CCc1ccc2oc(=O)cc(C[NH2+]C[C@H]3OCCc4ccccc43)c2c1 ZINC000065410491 563960458 /nfs/dbraw/zinc/96/04/58/563960458.db2.gz CXUYMQWSAQLUMW-OAQYLSRUSA-N 1 0 349.430 3.759 50 0 EHAARO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H]2Cn2cccn2)s1 ZINC000065430389 563960846 /nfs/dbraw/zinc/96/08/46/563960846.db2.gz ICBOPLNRQVBPIT-INIZCTEOSA-N 1 0 338.480 3.980 50 0 EHAARO C[N@@H+]1CCC=C(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000065462802 563961290 /nfs/dbraw/zinc/96/12/90/563961290.db2.gz PJVZVMRIIKPTJG-UHFFFAOYSA-N 1 0 332.875 3.530 50 0 EHAARO O=C(Nc1nncs1)c1ccc(C[NH+]2CCCCCCCC2)cc1 ZINC000065529213 563961910 /nfs/dbraw/zinc/96/19/10/563961910.db2.gz DCFKPXPKYGIQBM-UHFFFAOYSA-N 1 0 344.484 3.947 50 0 EHAARO CC(C)=CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000071278804 563964110 /nfs/dbraw/zinc/96/41/10/563964110.db2.gz PUADNQDAFCEPRI-KRWDZBQOSA-N 1 0 337.467 3.529 50 0 EHAARO CC(C)[C@H]1C[N@H+](CCCCF)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071552274 563964555 /nfs/dbraw/zinc/96/45/55/563964555.db2.gz GGUXTZZSRIPPCW-GOSISDBHSA-N 1 0 338.442 3.634 50 0 EHAARO C/C(=C\c1cc(Cl)ccc1O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000071681590 563964714 /nfs/dbraw/zinc/96/47/14/563964714.db2.gz HCBHVGZEIOCNTF-IDKBZEPQSA-N 1 0 348.874 3.536 50 0 EHAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000071707832 563964773 /nfs/dbraw/zinc/96/47/73/563964773.db2.gz JOTVVFZIACAMQS-GOSISDBHSA-N 1 0 349.434 3.501 50 0 EHAARO COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H](C)CC(C)C ZINC000071774462 563965680 /nfs/dbraw/zinc/96/56/80/563965680.db2.gz ZZKCLXSNLOLMPJ-AWEZNQCLSA-N 1 0 345.487 3.513 50 0 EHAARO c1sc(-c2ccccc2)nc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000077354936 563969107 /nfs/dbraw/zinc/96/91/07/563969107.db2.gz KOPFDGUIYXPNNF-MRXNPFEDSA-N 1 0 344.480 3.628 50 0 EHAARO COCCC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2cccs2)nc1 ZINC000077485419 563969942 /nfs/dbraw/zinc/96/99/42/563969942.db2.gz GYYDNINQRLIZSV-MRXNPFEDSA-N 1 0 331.485 3.986 50 0 EHAARO CC(=O)N1CCC([NH2+]C(C)(C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000097034975 563971261 /nfs/dbraw/zinc/97/12/61/563971261.db2.gz WQFRIJQZOXMIAB-UHFFFAOYSA-N 1 0 343.298 3.915 50 0 EHAARO Cc1cc(N2CCCC2)nc2ccc(NC(=O)c3ccccn3)cc12 ZINC000033269396 563971731 /nfs/dbraw/zinc/97/17/31/563971731.db2.gz XAWAKYUKFNHLCC-UHFFFAOYSA-N 1 0 332.407 3.791 50 0 EHAARO Cc1ccc(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(F)c1F ZINC000091289614 563975219 /nfs/dbraw/zinc/97/52/19/563975219.db2.gz QKSIMEXBXHJHTD-UHFFFAOYSA-N 1 0 348.437 3.640 50 0 EHAARO Cc1ccccc1OC[C@@H]1CN(C[NH+](CC(C)C)CC(C)C)C(=O)O1 ZINC000000090394 563976506 /nfs/dbraw/zinc/97/65/06/563976506.db2.gz QEUGZHFVSFRNTG-SFHVURJKSA-N 1 0 348.487 3.766 50 0 EHAARO Cc1cccn2cc(-c3cccc(NC(=O)c4cccnc4)c3)nc12 ZINC000000092438 563976599 /nfs/dbraw/zinc/97/65/99/563976599.db2.gz HOQYILOSJAHQGH-UHFFFAOYSA-N 1 0 328.375 3.957 50 0 EHAARO Cc1nn(C)c2nc(NCc3cccc(C[NH+]4CCCC4)c3)sc12 ZINC000095512244 563977261 /nfs/dbraw/zinc/97/72/61/563977261.db2.gz RZQBDPHHVIDOSZ-UHFFFAOYSA-N 1 0 341.484 3.546 50 0 EHAARO c1coc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc5nc[nH]c5c4)no3)C2)c1 ZINC000096150123 563979639 /nfs/dbraw/zinc/97/96/39/563979639.db2.gz UOJZUERDLFTWSG-AWEZNQCLSA-N 1 0 349.394 3.586 50 0 EHAARO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(Br)cc1 ZINC000095459405 563983220 /nfs/dbraw/zinc/98/32/20/563983220.db2.gz QFWYQKOGBOGTPH-DOMZBBRYSA-N 1 0 340.261 3.785 50 0 EHAARO C[NH+](C)CCN(Cc1cccs1)C(=S)Nc1ccccc1F ZINC000000212632 563988557 /nfs/dbraw/zinc/98/85/57/563988557.db2.gz HREKPWJMRSBNEZ-UHFFFAOYSA-N 1 0 337.489 3.648 50 0 EHAARO CC(C)[N@H+](C)C1CCN(C(=S)Nc2ccccc2Cl)CC1 ZINC000000260951 563989907 /nfs/dbraw/zinc/98/99/07/563989907.db2.gz UDTRGZNKKPBDNV-UHFFFAOYSA-N 1 0 325.909 3.841 50 0 EHAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000000317609 563991034 /nfs/dbraw/zinc/99/10/34/563991034.db2.gz UPHINHVXBAAGKK-KRWDZBQOSA-N 1 0 344.499 3.556 50 0 EHAARO CC1([C@H]2CCC[N@H+](CCCc3cncc4ccccc43)C2)OCCO1 ZINC000408514408 563992699 /nfs/dbraw/zinc/99/26/99/563992699.db2.gz YOHGHJVXONZQLU-IBGZPJMESA-N 1 0 340.467 3.642 50 0 EHAARO CO[C@](C)(C(=O)Nc1ccc(C[NH+](C)C)cc1F)c1ccccc1F ZINC000408521324 563993175 /nfs/dbraw/zinc/99/31/75/563993175.db2.gz PLHITKZOAAGRSE-IBGZPJMESA-N 1 0 348.393 3.527 50 0 EHAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000257365550 563993328 /nfs/dbraw/zinc/99/33/28/563993328.db2.gz NKMNLDTUSDDCFU-FRGNPEFRSA-N 1 0 349.425 3.744 50 0 EHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCc1ccsc1 ZINC000248023282 563995024 /nfs/dbraw/zinc/99/50/24/563995024.db2.gz JYTAJSUWAVDRCH-IEBWSBKVSA-N 1 0 340.492 3.824 50 0 EHAARO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4ccc(C)nn4)C3)C2)c1 ZINC000426509621 563996202 /nfs/dbraw/zinc/99/62/02/563996202.db2.gz ZDDVGXJTMQFMGQ-NRFANRHFSA-N 1 0 336.483 3.586 50 0 EHAARO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C(C)(C)O)cs2)cc1 ZINC000136251447 564002436 /nfs/dbraw/zinc/00/24/36/564002436.db2.gz MXWVWZFUMHLFOA-KRWDZBQOSA-N 1 0 346.496 3.944 50 0 EHAARO Cc1nnc([C@H](C)N2CCc3sc(-c4csc(C)n4)cc3C2)o1 ZINC000180881645 564013655 /nfs/dbraw/zinc/01/36/55/564013655.db2.gz HIZZSQDULBGHMB-VIFPVBQESA-N 1 0 346.481 3.991 50 0 EHAARO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2)c1 ZINC000103923937 564023306 /nfs/dbraw/zinc/02/33/06/564023306.db2.gz JZNZJIQZFSDLPJ-UZLBHIALSA-N 1 0 338.451 3.710 50 0 EHAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(c1ccccc1)c1ccccc1 ZINC000046993509 564025653 /nfs/dbraw/zinc/02/56/53/564025653.db2.gz QHEVYQLMQVNZQY-VQTJNVASSA-N 1 0 334.463 3.562 50 0 EHAARO Cc1ccc(N2CCC[N@@H+](C[C@H]3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000108171205 564027980 /nfs/dbraw/zinc/02/79/80/564027980.db2.gz BLDZPJHKJWLPGW-FPOVZHCZSA-N 1 0 330.516 3.958 50 0 EHAARO O=C(Cc1ccsc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000048324488 564030956 /nfs/dbraw/zinc/03/09/56/564030956.db2.gz PBMXTJCEPQLXPC-UHFFFAOYSA-N 1 0 348.899 3.725 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1F ZINC000048332726 564031071 /nfs/dbraw/zinc/03/10/71/564031071.db2.gz QJNMVBKTJKEDJF-NSHDSACASA-N 1 0 332.329 3.535 50 0 EHAARO CC(C)(C)[C@H]([NH2+]CN1C(=O)CC2(CCCC2)C1=O)c1cccs1 ZINC000048354158 564031312 /nfs/dbraw/zinc/03/13/12/564031312.db2.gz DURVVBFGYNCJKG-OAHLLOKOSA-N 1 0 334.485 3.702 50 0 EHAARO O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)Nc1ccccc1Cl ZINC000114203032 564032934 /nfs/dbraw/zinc/03/29/34/564032934.db2.gz CGBQOAWQQGGPEZ-INIZCTEOSA-N 1 0 332.835 3.619 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1F ZINC000024084116 564036393 /nfs/dbraw/zinc/03/63/93/564036393.db2.gz CLRPTYPTVZOGOY-LBPRGKRZSA-N 1 0 349.402 3.711 50 0 EHAARO NC(=O)C1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000033040229 564036413 /nfs/dbraw/zinc/03/64/13/564036413.db2.gz QVAUUPOXSRSNGB-SFHVURJKSA-N 1 0 328.843 3.627 50 0 EHAARO C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000225489780 564047222 /nfs/dbraw/zinc/04/72/22/564047222.db2.gz HTUGCFWMWWSOBB-IWKCEXAMSA-N 1 0 332.463 3.604 50 0 EHAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000005788453 564052154 /nfs/dbraw/zinc/05/21/54/564052154.db2.gz VDGSGEDIQNWBAS-AISLHEOYSA-N 1 0 335.532 3.845 50 0 EHAARO Cc1nccn1CC[C@@H](C)[NH2+]CCCc1nc2c(ccc(C)c2C)[nH]1 ZINC000534653375 564061425 /nfs/dbraw/zinc/06/14/25/564061425.db2.gz GZMDVXMBADCMII-OAHLLOKOSA-N 1 0 339.487 3.686 50 0 EHAARO CN1CCC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000083877859 564064120 /nfs/dbraw/zinc/06/41/20/564064120.db2.gz OSEDBLONOFBGNJ-FQEVSTJZSA-N 1 0 346.478 3.723 50 0 EHAARO C=C1[NH+]=C(N)S[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000001410007 564065333 /nfs/dbraw/zinc/06/53/33/564065333.db2.gz TXLCFGPLTWLGAM-NSHDSACASA-N 1 0 331.224 3.543 50 0 EHAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000084736409 564069951 /nfs/dbraw/zinc/06/99/51/564069951.db2.gz AAXHQUOQGCYQHL-XJKSGUPXSA-N 1 0 349.544 3.567 50 0 EHAARO CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)NCC(C)(C)C[NH+](C)C)cc1 ZINC000006085816 564073742 /nfs/dbraw/zinc/07/37/42/564073742.db2.gz SACHYHKHZUGKQY-HZPDHXFCSA-N 1 0 333.520 3.705 50 0 EHAARO CCCc1n(CC)c2ccccc2[n+]1C[C@H](O)COC1CCCCC1 ZINC000015962282 564078791 /nfs/dbraw/zinc/07/87/91/564078791.db2.gz UJBTTXGLMQHAKF-KRWDZBQOSA-N 1 0 345.507 3.611 50 0 EHAARO c1cn(CCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)cn1 ZINC000035310474 564081771 /nfs/dbraw/zinc/08/17/71/564081771.db2.gz PSYDYQBIYURICK-UHFFFAOYSA-N 1 0 338.436 3.933 50 0 EHAARO COc1cc(OC)c(/C=C/c2cc3ccccc3c[n+]2C)c(OC)c1 ZINC000006200224 564082040 /nfs/dbraw/zinc/08/20/40/564082040.db2.gz VDSQWFMVQVDSEL-MDZDMXLPSA-N 1 0 336.411 3.861 50 0 EHAARO C[C@H](NC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cc2cc(Cl)ccc2o1 ZINC000130060368 564082881 /nfs/dbraw/zinc/08/28/81/564082881.db2.gz VMANCCXWQUJTTM-STQMWFEESA-N 1 0 349.862 3.740 50 0 EHAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000090540954 564084630 /nfs/dbraw/zinc/08/46/30/564084630.db2.gz UUJUXCSTNKTQKE-AYOQOUSVSA-N 1 0 333.497 3.717 50 0 EHAARO Cc1ccc(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(Cl)c1 ZINC000191245976 564084887 /nfs/dbraw/zinc/08/48/87/564084887.db2.gz LXYAKGLXYQRYKE-UHFFFAOYSA-N 1 0 331.847 3.704 50 0 EHAARO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000241124175 564088266 /nfs/dbraw/zinc/08/82/66/564088266.db2.gz JGCWLSWSWIYKPC-KSSFIOAISA-N 1 0 326.465 3.863 50 0 EHAARO O[C@H](COCc1ccccc1)C[N@@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000241383259 564088319 /nfs/dbraw/zinc/08/83/19/564088319.db2.gz MTSHBMUYWLEZSD-FXAWDEMLSA-N 1 0 343.492 3.635 50 0 EHAARO Cc1ccc2c(C[NH+]3CCN(c4ccccc4)CC3)cc(=O)oc2c1C ZINC000054105994 564089239 /nfs/dbraw/zinc/08/92/39/564089239.db2.gz KZOZFXZMEJSPQW-UHFFFAOYSA-N 1 0 348.446 3.732 50 0 EHAARO CO[C@]12CC[N@H+](Cc3ccccc3-c3ccc(C)o3)[C@H]1C[C@@H](O)CC2 ZINC000426376380 564093526 /nfs/dbraw/zinc/09/35/26/564093526.db2.gz NHUHOBTWAWEEPI-DZFGPLHGSA-N 1 0 341.451 3.759 50 0 EHAARO O[C@@H]1c2ccc(-c3cc(F)cc(F)c3)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426465411 564093793 /nfs/dbraw/zinc/09/37/93/564093793.db2.gz FBIPULWQBROTFG-IEBWSBKVSA-N 1 0 331.362 3.522 50 0 EHAARO CCn1c([C@@H]2CC[N@H+](Cc3sccc3C)C2)nc2cccnc21 ZINC000065285334 564104274 /nfs/dbraw/zinc/10/42/74/564104274.db2.gz ZMZIRLCBRJFSDQ-CQSZACIVSA-N 1 0 326.469 3.811 50 0 EHAARO c1csc(C[N@H+]2CCC[C@H](c3nncn3Cc3ccccc3)C2)c1 ZINC000065287789 564104280 /nfs/dbraw/zinc/10/42/80/564104280.db2.gz OYWXYPFKMUADMW-KRWDZBQOSA-N 1 0 338.480 3.768 50 0 EHAARO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000170073645 564105287 /nfs/dbraw/zinc/10/52/87/564105287.db2.gz ITGYEGBVCFBUDO-BXTJHSDWSA-N 1 0 338.451 3.538 50 0 EHAARO C[C@@H]1Cc2ccccc2N1C(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000065475669 564106243 /nfs/dbraw/zinc/10/62/43/564106243.db2.gz BAHXWKHFILNEBY-MRXNPFEDSA-N 1 0 347.462 3.794 50 0 EHAARO COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000007362647 564107549 /nfs/dbraw/zinc/10/75/49/564107549.db2.gz JJOBIIVVFDDVKW-WMLDXEAASA-N 1 0 344.480 3.599 50 0 EHAARO CC(=O)N1CCC([NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000037138400 564108422 /nfs/dbraw/zinc/10/84/22/564108422.db2.gz PKKREIZYVORADP-VIFPVBQESA-N 1 0 333.234 3.794 50 0 EHAARO Cc1cc2nc(NCCC[NH2+]C3CCCCC3)c3ccccc3n2n1 ZINC000170607436 564109622 /nfs/dbraw/zinc/10/96/22/564109622.db2.gz HUEYWWSUESWDER-UHFFFAOYSA-N 1 0 337.471 3.915 50 0 EHAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000013327654 564111570 /nfs/dbraw/zinc/11/15/70/564111570.db2.gz ZORIMMKDQCNDMX-INIZCTEOSA-N 1 0 346.515 3.740 50 0 EHAARO CC(=O)c1ccc(NC(=S)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000013577408 564111818 /nfs/dbraw/zinc/11/18/18/564111818.db2.gz IGAJEWRREGFOTI-UHFFFAOYSA-N 1 0 345.512 3.536 50 0 EHAARO C[C@H]([NH2+]C1CCN(C(=O)NC2CCCCC2)CC1)c1cccs1 ZINC000089639679 564112846 /nfs/dbraw/zinc/11/28/46/564112846.db2.gz YRTWOXOMNNSTCU-AWEZNQCLSA-N 1 0 335.517 3.905 50 0 EHAARO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000089688814 564113078 /nfs/dbraw/zinc/11/30/78/564113078.db2.gz NFTONVCQSVEDDH-HNNXBMFYSA-N 1 0 343.446 3.798 50 0 EHAARO CC(C)[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1 ZINC000089801778 564113948 /nfs/dbraw/zinc/11/39/48/564113948.db2.gz DEYKJWWCNFKCDR-LJQANCHMSA-N 1 0 326.440 3.871 50 0 EHAARO COc1ccc(CNc2cc[nH+]c3cc(F)ccc23)cc1NC(C)=O ZINC000089962788 564115924 /nfs/dbraw/zinc/11/59/24/564115924.db2.gz HZQLLFDPHSXVRX-UHFFFAOYSA-N 1 0 339.370 3.953 50 0 EHAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(OC2CCOCC2)cc1 ZINC000252487506 564119394 /nfs/dbraw/zinc/11/93/94/564119394.db2.gz YOMBXNRHEQVBRK-VVHHDAOASA-N 1 0 345.483 3.709 50 0 EHAARO COC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252551356 564120771 /nfs/dbraw/zinc/12/07/71/564120771.db2.gz UCUWVDSFWXPSKZ-ZDUSSCGKSA-N 1 0 330.432 3.802 50 0 EHAARO CCC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(F)cc1F)c1ccccc1 ZINC000170676213 564121376 /nfs/dbraw/zinc/12/13/76/564121376.db2.gz PTVHQEOFGYVBCP-MAUKXSAKSA-N 1 0 332.394 3.665 50 0 EHAARO COC(=O)C[C@](C)([NH2+]Cc1ccc(C)c(Cl)c1)c1ccncc1 ZINC000194733816 564122082 /nfs/dbraw/zinc/12/20/82/564122082.db2.gz QBUXGWCEVHTJHY-SFHVURJKSA-N 1 0 332.831 3.612 50 0 EHAARO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)c1cccc(O)c1 ZINC000194860238 564122325 /nfs/dbraw/zinc/12/23/25/564122325.db2.gz IZVJNMKCWUMJRE-HNNXBMFYSA-N 1 0 347.418 3.890 50 0 EHAARO CCCc1noc(-c2cccc(C[NH2+][C@H](C)C3CCOCC3)c2)n1 ZINC000195540651 564123660 /nfs/dbraw/zinc/12/36/60/564123660.db2.gz QWSFWRAUJPXXKQ-CQSZACIVSA-N 1 0 329.444 3.594 50 0 EHAARO Cc1c(NC2CC[NH+](Cc3cccnc3)CC2)cnn1-c1ccccc1 ZINC000195554136 564123753 /nfs/dbraw/zinc/12/37/53/564123753.db2.gz CMCQJHIORUOGCI-UHFFFAOYSA-N 1 0 347.466 3.652 50 0 EHAARO CSCc1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1Cl ZINC000195570229 564123914 /nfs/dbraw/zinc/12/39/14/564123914.db2.gz URLONFYLGKQZOX-LBPRGKRZSA-N 1 0 341.908 3.618 50 0 EHAARO CCc1[nH+]c2ccccc2c(N2CCC(S(=O)(=O)CC)CC2)c1C ZINC000253425656 564131105 /nfs/dbraw/zinc/13/11/05/564131105.db2.gz KFEVKPRQZPRCCQ-UHFFFAOYSA-N 1 0 346.496 3.509 50 0 EHAARO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@H]1C ZINC000110534732 564133641 /nfs/dbraw/zinc/13/36/41/564133641.db2.gz HAXAGOICPJHJRB-LQWHRVPQSA-N 1 0 342.527 3.882 50 0 EHAARO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000225471965 564135141 /nfs/dbraw/zinc/13/51/41/564135141.db2.gz HLAQTGXCTIMJCD-ZWNOBZJWSA-N 1 0 349.887 3.559 50 0 EHAARO O=C(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000013011473 564135907 /nfs/dbraw/zinc/13/59/07/564135907.db2.gz HSXRRQRCXBWSFP-QGZVFWFLSA-N 1 0 348.899 3.897 50 0 EHAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(C)=C1CCCC1 ZINC000079056767 564137780 /nfs/dbraw/zinc/13/77/80/564137780.db2.gz HCJHDYZWIDWVJG-UHFFFAOYSA-N 1 0 344.499 3.914 50 0 EHAARO COc1ccccc1N1CCC[C@@H]([NH2+][C@H](C)c2cncc(F)c2)C1 ZINC000095422618 564140095 /nfs/dbraw/zinc/14/00/95/564140095.db2.gz BSMUVYXYMGJKDY-RHSMWYFYSA-N 1 0 329.419 3.549 50 0 EHAARO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000095968566 564143218 /nfs/dbraw/zinc/14/32/18/564143218.db2.gz AGRIHAGQZIDSGA-GTNSWQLSSA-N 1 0 333.476 3.934 50 0 EHAARO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000095972562 564143452 /nfs/dbraw/zinc/14/34/52/564143452.db2.gz SHQXRDGPIBSMCW-UHFFFAOYSA-N 1 0 347.821 3.725 50 0 EHAARO Cc1nnc(CCC[N@@H+]2CCC[C@H]2[C@@H]2CCCc3ccccc32)o1 ZINC000095983398 564143824 /nfs/dbraw/zinc/14/38/24/564143824.db2.gz CREVZWPFPTTYDE-MOPGFXCFSA-N 1 0 325.456 3.895 50 0 EHAARO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000095988013 564144053 /nfs/dbraw/zinc/14/40/53/564144053.db2.gz UZSGBYSFXKEYFT-MNOVXSKESA-N 1 0 329.849 3.560 50 0 EHAARO C[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1nc2c(s1)CCCC2 ZINC000095988206 564144055 /nfs/dbraw/zinc/14/40/55/564144055.db2.gz RKULYURLJNUJLU-KBPBESRZSA-N 1 0 336.501 3.748 50 0 EHAARO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000096414581 564147698 /nfs/dbraw/zinc/14/76/98/564147698.db2.gz UBWQYEJYEDQQDU-PLUMIXRBSA-N 1 0 349.478 3.606 50 0 EHAARO O=C1CCCN1c1cccc(C[NH2+]Cc2cnc(C3CCC3)s2)c1 ZINC000096473020 564148375 /nfs/dbraw/zinc/14/83/75/564148375.db2.gz SZQLQQBUSFARPX-UHFFFAOYSA-N 1 0 341.480 3.827 50 0 EHAARO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C(C)C)c(C)c1 ZINC000096479055 564148543 /nfs/dbraw/zinc/14/85/43/564148543.db2.gz GPJVJFNJGFVUFF-ABSDTBQOSA-N 1 0 332.488 3.671 50 0 EHAARO CC1CC[NH+](Cc2ccc(CNC(=O)/C=C/c3ccco3)cc2)CC1 ZINC000029341578 564153331 /nfs/dbraw/zinc/15/33/31/564153331.db2.gz POPREXTZMGANNS-CMDGGOBGSA-N 1 0 338.451 3.841 50 0 EHAARO Cc1cccn2cc(CNC(=O)c3cccc(C(F)(F)F)c3)nc12 ZINC000002960801 564153816 /nfs/dbraw/zinc/15/38/16/564153816.db2.gz ZRIOHJAGEHQKPT-UHFFFAOYSA-N 1 0 333.313 3.592 50 0 EHAARO CC[C@H](CNC(=O)c1ccccc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000029909024 564154712 /nfs/dbraw/zinc/15/47/12/564154712.db2.gz NINWAASTOZVPEZ-QGZVFWFLSA-N 1 0 342.870 3.907 50 0 EHAARO O[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@@]12O ZINC000230160291 564154949 /nfs/dbraw/zinc/15/49/49/564154949.db2.gz PTHIWJYDLMJRBA-YSFYHYPLSA-N 1 0 337.463 3.668 50 0 EHAARO Cc1cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc(C(C)C)c1 ZINC000003264951 564156755 /nfs/dbraw/zinc/15/67/55/564156755.db2.gz MFSFAIBGVJXGNV-OAQYLSRUSA-N 1 0 339.479 3.916 50 0 EHAARO COC[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000003476773 564158342 /nfs/dbraw/zinc/15/83/42/564158342.db2.gz VQNJSZIEMGLNDD-RDTXWAMCSA-N 1 0 346.858 3.953 50 0 EHAARO CC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000031093079 564158779 /nfs/dbraw/zinc/15/87/79/564158779.db2.gz XQCTYOJDTSVVQU-IBGZPJMESA-N 1 0 345.487 3.767 50 0 EHAARO Cc1cc(C)n(-c2ccccc2C[N@@H+]2CC[C@](O)(c3ccccc3)C2)n1 ZINC000670457650 564160517 /nfs/dbraw/zinc/16/05/17/564160517.db2.gz NUUTUOCFSXIPNM-JOCHJYFZSA-N 1 0 347.462 3.583 50 0 EHAARO C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008226127 564163620 /nfs/dbraw/zinc/16/36/20/564163620.db2.gz ZLQXSIFBYWUPLO-KRWDZBQOSA-N 1 0 332.447 3.977 50 0 EHAARO O=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000040120634 564168248 /nfs/dbraw/zinc/16/82/48/564168248.db2.gz ICYYEJIQJICFTO-RTBURBONSA-N 1 0 343.471 3.756 50 0 EHAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCc2sccc2C1 ZINC000069626273 564171037 /nfs/dbraw/zinc/17/10/37/564171037.db2.gz HDUMTWYBMFDISJ-QGZVFWFLSA-N 1 0 340.492 3.512 50 0 EHAARO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1Cl ZINC000069743699 564171928 /nfs/dbraw/zinc/17/19/28/564171928.db2.gz NFRBIFOYKWPXFF-KRWDZBQOSA-N 1 0 342.870 3.634 50 0 EHAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1Cl ZINC000070928527 564174543 /nfs/dbraw/zinc/17/45/43/564174543.db2.gz SRNFFBISXLTAEH-UHFFFAOYSA-N 1 0 347.821 3.521 50 0 EHAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)c1sc2ccccc2c1C ZINC000071837235 564175797 /nfs/dbraw/zinc/17/57/97/564175797.db2.gz XCYLPYVKIFYOCZ-AWEZNQCLSA-N 1 0 343.496 3.866 50 0 EHAARO C[NH+](C)C[C@H](NC(=O)/C=C\c1cccc2cccnc12)c1ccccc1 ZINC000098004022 1016825256 /nfs/dbraw/zinc/82/52/56/1016825256.db2.gz OIMMKPHDZOVVCX-ODLZTCLXSA-N 1 0 345.446 3.667 50 0 EHAARO CCCCN(C(=O)/C=C\c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000022590791 1022086819 /nfs/dbraw/zinc/08/68/19/1022086819.db2.gz DCWKRBUZLUVFGF-JUXQWVBMSA-N 1 0 326.484 3.954 50 0 EHAARO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc(N2CCOC2=O)c1 ZINC000181329212 1023907706 /nfs/dbraw/zinc/90/77/06/1023907706.db2.gz FSDIJGQMAHHPET-ZDUSSCGKSA-N 1 0 346.377 3.815 50 0 EHAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000006937182 1030105311 /nfs/dbraw/zinc/10/53/11/1030105311.db2.gz RJDRSELFTKMTNZ-KGLIPLIRSA-N 1 0 332.271 3.998 50 0 EHAARO O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)[C@@H]1CCC[NH2+]C1 ZINC000159521832 1030247293 /nfs/dbraw/zinc/24/72/93/1030247293.db2.gz IOHCVBXRMKVLRG-CYBMUJFWSA-N 1 0 339.370 3.572 50 0 EHAARO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000174115652 1033748373 /nfs/dbraw/zinc/74/83/73/1033748373.db2.gz HMUWULTWNVNWNS-UHFFFAOYSA-N 1 0 343.515 3.670 50 0 EHAARO Cc1csc(C[N@@H+](C)[C@H]2CCC(=O)N(CCCC(C)C)CC2)n1 ZINC000023310578 1035072992 /nfs/dbraw/zinc/07/29/92/1035072992.db2.gz KYHYWXMQJFJOSM-INIZCTEOSA-N 1 0 337.533 3.701 50 0 EHAARO CC(C)(C)OC(=O)N1Cc2ccc(C[NH2+][C@H]3CCCOCC3)cc2C1 ZINC000310822961 1036486155 /nfs/dbraw/zinc/48/61/55/1036486155.db2.gz HADSDHFREMIKGN-SFHVURJKSA-N 1 0 346.471 3.596 50 0 EHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000257184145 1038453647 /nfs/dbraw/zinc/45/36/47/1038453647.db2.gz IFWKXWAHBUPTLJ-QGZVFWFLSA-N 1 0 332.463 3.800 50 0 EHAARO Cc1ccccc1NC(=O)N1CC(F)(F)C[C@H]1C[NH+]1CCCCC1 ZINC000257190695 1038519263 /nfs/dbraw/zinc/51/92/63/1038519263.db2.gz NOKILOCRWAOISV-HNNXBMFYSA-N 1 0 337.414 3.722 50 0 EHAARO OCC[C@H](C[NH2+][C@H]1COCc2cccc(Cl)c21)c1ccccc1 ZINC000798183998 1039555923 /nfs/dbraw/zinc/55/59/23/1039555923.db2.gz PUPNUQTWVOIWEK-QAPCUYQASA-N 1 0 331.843 3.667 50 0 EHAARO CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000333283536 1041728998 /nfs/dbraw/zinc/72/89/98/1041728998.db2.gz MXBQFZYGHRDCTB-KZNAEPCWSA-N 1 0 346.519 3.532 50 0 EHAARO CSc1nc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cs1 ZINC000824961863 1131236849 /nfs/dbraw/zinc/23/68/49/1131236849.db2.gz HTOYMRQATGOXMV-UHFFFAOYSA-N 1 0 333.482 3.713 50 0 EHAARO c1c(C[NH+]2CCCC2)c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1 ZINC000012582300 1129439303 /nfs/dbraw/zinc/43/93/03/1129439303.db2.gz DILXXPPGOXTRJK-UHFFFAOYSA-N 1 0 347.418 3.864 50 0 EHAARO CC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)Cc2cc(OC)ccc2O1 ZINC000012279438 1129474088 /nfs/dbraw/zinc/47/40/88/1129474088.db2.gz MZQJVMBJSQDAST-QGZVFWFLSA-N 1 0 327.424 3.877 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cc(C)ccc2-n2cccn2)c1 ZINC000823649000 1131073582 /nfs/dbraw/zinc/07/35/82/1131073582.db2.gz PXAZMQFBBMSZBS-GOSISDBHSA-N 1 0 334.467 3.947 50 0 EHAARO COCC[N@H+](Cc1ccc2c(ccn2C)c1)Cc1cccc(OC)c1 ZINC000824405482 1131202501 /nfs/dbraw/zinc/20/25/01/1131202501.db2.gz QKTFAGYVTPAMDE-UHFFFAOYSA-N 1 0 338.451 3.836 50 0 EHAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000581806100 1132367913 /nfs/dbraw/zinc/36/79/13/1132367913.db2.gz LFJCCSJCSBWGAQ-LJQANCHMSA-N 1 0 349.478 3.964 50 0 EHAARO Cc1cc2[nH]c(C[NH2+][C@@H]3CCC(=O)N[C@H]3C(C)(C)C)cc2c(C)c1 ZINC000585081853 1136965352 /nfs/dbraw/zinc/96/53/52/1136965352.db2.gz MJJQMEQDKWLAAP-VQIMIIECSA-N 1 0 327.472 3.568 50 0 EHAARO c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192376285 1137455532 /nfs/dbraw/zinc/45/55/32/1137455532.db2.gz FPNJMOWEHIXHMB-RXVVDRJESA-N 1 0 333.435 3.944 50 0 EHAARO Cc1cc(C[NH2+]C2(CCO)CCCC2)ccc1Oc1cccnc1 ZINC000512568583 1137477361 /nfs/dbraw/zinc/47/73/61/1137477361.db2.gz IWFZEHIKJOOPCP-UHFFFAOYSA-N 1 0 326.440 3.967 50 0 EHAARO CCN1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(F)cc2C)CC1 ZINC000952980975 1137484222 /nfs/dbraw/zinc/48/42/22/1137484222.db2.gz YDZDHUVXXXVMJM-IBGZPJMESA-N 1 0 333.495 3.567 50 0 EHAARO CC(C)(C)c1ccc(OCc2nc([C@H]3CC34CC[NH2+]CC4)n[nH]2)cc1 ZINC000952967599 1137484951 /nfs/dbraw/zinc/48/49/51/1137484951.db2.gz ZTMAWMDYAIGYIT-MRXNPFEDSA-N 1 0 340.471 3.538 50 0 EHAARO CC(C)Cc1cc(CNC2CC[NH+](CCc3ccccc3)CC2)on1 ZINC000952989342 1137485852 /nfs/dbraw/zinc/48/58/52/1137485852.db2.gz UAANIQKUUFNLKS-UHFFFAOYSA-N 1 0 341.499 3.670 50 0 EHAARO COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1 ZINC000055154506 214280794 /nfs/dbraw/zinc/28/07/94/214280794.db2.gz PMDSZRWYODIVQC-NRFANRHFSA-N 1 0 328.500 3.783 50 0 EHAARO C[NH+](C)CCN(Cc1ccsc1)Cc1cccc2cnccc21 ZINC000055281876 214300103 /nfs/dbraw/zinc/30/01/03/214300103.db2.gz XDTDEGKIEWZESN-UHFFFAOYSA-N 1 0 325.481 3.860 50 0 EHAARO COc1ccc(/C=C/C[NH+]2CCC(n3cc(C4CC4)nn3)CC2)cc1 ZINC000055402981 214320590 /nfs/dbraw/zinc/32/05/90/214320590.db2.gz ZXFBTHMSZTZPAE-NSCUHMNNSA-N 1 0 338.455 3.514 50 0 EHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000055543217 214328686 /nfs/dbraw/zinc/32/86/86/214328686.db2.gz DNYWEYLVKVBVOX-HNNXBMFYSA-N 1 0 342.405 3.786 50 0 EHAARO FC1(F)[C@H]2c3ccccc3[C@H](N3CC[NH2+]CC3)c3ccccc3[C@H]21 ZINC000100046867 219089275 /nfs/dbraw/zinc/08/92/75/219089275.db2.gz RNCPKPNQPISLFR-REPLKXPHSA-N 1 0 326.390 3.511 50 0 in-vitro EHAARO Cc1cc(N[C@H](C[NH+](C)C)c2ccccc2)nc(-c2cccnc2)n1 ZINC000065527450 214946123 /nfs/dbraw/zinc/94/61/23/214946123.db2.gz RGOVPXPHUPNHLF-GOSISDBHSA-N 1 0 333.439 3.562 50 0 EHAARO CCOP(=O)(OCC)OCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000004000059 210099131 /nfs/dbraw/zinc/09/91/31/210099131.db2.gz RPYOYJSKUKGJFB-INIZCTEOSA-N 1 0 342.376 3.806 50 0 biogenic EHAARO Cc1cccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000003434528 210038419 /nfs/dbraw/zinc/03/84/19/210038419.db2.gz MRJZUJQZPXPHRP-QGZVFWFLSA-N 1 0 327.428 3.937 50 0 EHAARO CCCCCOc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000003178879 209973543 /nfs/dbraw/zinc/97/35/43/209973543.db2.gz KMTTWFACUNGGEH-GOSISDBHSA-N 1 0 349.438 3.702 50 0 EHAARO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000067603514 215167341 /nfs/dbraw/zinc/16/73/41/215167341.db2.gz IWYWWNVGLXSREP-OAHLLOKOSA-N 1 0 325.412 3.552 50 0 EHAARO CSc1ccc(-c2nc(CN3C[C@@H](C)[NH2+]C[C@@H]3C)c(C)o2)cc1 ZINC000067804706 215217203 /nfs/dbraw/zinc/21/72/03/215217203.db2.gz RZINQZSNJXUIRA-OLZOCXBDSA-N 1 0 331.485 3.554 50 0 EHAARO CSc1ccc2cc(C[N@H+](C)Cc3ccncc3C)c(=O)[nH]c2c1 ZINC000067908058 215247035 /nfs/dbraw/zinc/24/70/35/215247035.db2.gz RODSXSGBRDAHBY-UHFFFAOYSA-N 1 0 339.464 3.585 50 0 EHAARO Cc1cc(=O)oc2cc(OCCSCC[NH+]3CCCCC3)ccc12 ZINC000002366936 209844578 /nfs/dbraw/zinc/84/45/78/209844578.db2.gz GKQOQFXNJFVBLL-UHFFFAOYSA-N 1 0 347.480 3.699 50 0 biogenic EHAARO CC(C)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)[NH+]1CCCCC1 ZINC000069296719 215375874 /nfs/dbraw/zinc/37/58/74/215375874.db2.gz ZCZLNCWSUIDVBG-UHFFFAOYSA-N 1 0 334.891 3.752 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(OCc2cscn2)cc1)[C@H](C)n1cccn1 ZINC000069372332 215390908 /nfs/dbraw/zinc/39/09/08/215390908.db2.gz XBUBDOHFJRWOSE-CABCVRRESA-N 1 0 342.468 3.658 50 0 EHAARO COc1ccccc1C[NH+]1CCC(N(C(C)=O)c2ccccc2)CC1 ZINC000040414688 213300136 /nfs/dbraw/zinc/30/01/36/213300136.db2.gz QYBCPYWMNLYTES-UHFFFAOYSA-N 1 0 338.451 3.713 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Nc2nc3ccccc3s2)C1 ZINC000040145658 213271914 /nfs/dbraw/zinc/27/19/14/213271914.db2.gz DNVYMSRAOFDPNO-KBPBESRZSA-N 1 0 346.500 3.786 50 0 EHAARO CN(C)[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ccsc1 ZINC000040091390 213262745 /nfs/dbraw/zinc/26/27/45/213262745.db2.gz SAWLNXPFQDOUFR-QGZVFWFLSA-N 1 0 344.459 3.670 50 0 EHAARO CCc1oc2ccccc2c1/C=C/C(=O)N(C)C1CC[NH+](C)CC1 ZINC000039996807 213248429 /nfs/dbraw/zinc/24/84/29/213248429.db2.gz ALPWTCVBFBOLPD-MDZDMXLPSA-N 1 0 326.440 3.561 50 0 EHAARO FC(F)Oc1ccc(C[NH2+]Cc2cc3c(c(Cl)c2)OCO3)cc1 ZINC000039976538 213247750 /nfs/dbraw/zinc/24/77/50/213247750.db2.gz OANYRJMAEBGUFN-UHFFFAOYSA-N 1 0 341.741 3.960 50 0 EHAARO Cc1ccc(C)c(C[N@@H+](C[C@H](O)COCc2ccco2)C(C)C)c1 ZINC000036103854 213069057 /nfs/dbraw/zinc/06/90/57/213069057.db2.gz VZZWHCFSLMGCKP-IBGZPJMESA-N 1 0 331.456 3.685 50 0 EHAARO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)C)cc1 ZINC000036101955 213067106 /nfs/dbraw/zinc/06/71/06/213067106.db2.gz ZCFCKPRRPBTBSM-OAQYLSRUSA-N 1 0 345.458 3.922 50 0 EHAARO CC(C)C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036095373 213063947 /nfs/dbraw/zinc/06/39/47/213063947.db2.gz SMMLTEOBPSOHII-NRFANRHFSA-N 1 0 345.458 3.861 50 0 EHAARO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)CCCS2 ZINC000187726000 236285405 /nfs/dbraw/zinc/28/54/05/236285405.db2.gz VNTDKQMCALMLAG-KRWDZBQOSA-N 1 0 342.464 3.511 50 0 EHAARO CCCNC(=O)C1CC[NH+](Cc2cn(C)c3ccc(Cl)cc23)CC1 ZINC000035527061 213035269 /nfs/dbraw/zinc/03/52/69/213035269.db2.gz FFWYAEUXWUUOOJ-UHFFFAOYSA-N 1 0 347.890 3.570 50 0 EHAARO Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)cc1 ZINC000072124074 216016003 /nfs/dbraw/zinc/01/60/03/216016003.db2.gz KDMDHUCFWVLSQL-BFJGLSHQSA-N 1 0 326.415 3.915 50 0 EHAARO C[NH+]1CCC(N(Cc2cccnc2)Cc2ccc3occc3c2)CC1 ZINC000072135251 216024168 /nfs/dbraw/zinc/02/41/68/216024168.db2.gz XVYAWBAMYIGGLU-UHFFFAOYSA-N 1 0 335.451 3.924 50 0 EHAARO Cc1cccc(-c2ncc(CN3CC([N@H+]4CCCC[C@H]4C)C3)cn2)c1 ZINC000072143343 216028368 /nfs/dbraw/zinc/02/83/68/216028368.db2.gz XTAYQAUAADWLII-QGZVFWFLSA-N 1 0 336.483 3.511 50 0 EHAARO C[C@@]12C[C@@H](CC(C)(C)C1)N(c1nc(-c3ccncc3)nc3c1C[NH2+]C3)C2 ZINC000072153339 216042488 /nfs/dbraw/zinc/04/24/88/216042488.db2.gz XYQTVKKKOKTWKF-QVKFZJNVSA-N 1 0 349.482 3.547 50 0 EHAARO Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000072273919 216096984 /nfs/dbraw/zinc/09/69/84/216096984.db2.gz FRSMMAFCERHYQY-KRWDZBQOSA-N 1 0 343.496 3.881 50 0 EHAARO O=C(N1CCCC1)[C@]1(Cc2ccc(-c3cccs3)cc2)CC[NH2+]C1 ZINC000072352908 216162115 /nfs/dbraw/zinc/16/21/15/216162115.db2.gz ITYOUJWLYQVCGN-FQEVSTJZSA-N 1 0 340.492 3.560 50 0 EHAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)o2)n[nH]1 ZINC000072429361 216220691 /nfs/dbraw/zinc/22/06/91/216220691.db2.gz FIAOLLANKKFYOF-CQSZACIVSA-N 1 0 347.422 3.926 50 0 EHAARO Cc1cc2nc(C(C)C)cc(NCc3ccc(C[NH+](C)C)cc3)n2n1 ZINC000072463860 216246208 /nfs/dbraw/zinc/24/62/08/216246208.db2.gz OCFBADXPIJMMKA-UHFFFAOYSA-N 1 0 337.471 3.835 50 0 EHAARO CCNc1ncc(CN(C)CC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000072481125 216261579 /nfs/dbraw/zinc/26/15/79/216261579.db2.gz JQIHXOLAIXYFJB-UHFFFAOYSA-N 1 0 345.535 3.529 50 0 EHAARO OCC1CCN([C@H]2CCC[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000022851164 212329038 /nfs/dbraw/zinc/32/90/38/212329038.db2.gz PZXDUGYEFRUJOQ-NRFANRHFSA-N 1 0 338.495 3.509 50 0 EHAARO FC(F)(F)CCN1CCC([NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000195556469 241004527 /nfs/dbraw/zinc/00/45/27/241004527.db2.gz AIRULEAUJCSPQS-KZNAEPCWSA-N 1 0 338.417 3.579 50 0 EHAARO O=C([C@H]1CCc2ccccc21)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000215354705 241121371 /nfs/dbraw/zinc/12/13/71/241121371.db2.gz KYINKJMIFGSBMW-IBGZPJMESA-N 1 0 340.492 3.512 50 0 EHAARO Cc1nc(CN2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)cs1 ZINC000216182795 241172161 /nfs/dbraw/zinc/17/21/61/241172161.db2.gz KMQKNPYZFOLJEQ-WMZOPIPTSA-N 1 0 331.529 3.562 50 0 EHAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)NCc3ccccc3)CC2)C1 ZINC000021718212 212242770 /nfs/dbraw/zinc/24/27/70/212242770.db2.gz ZSGWHQCVAYSFKY-QZTJIDSGSA-N 1 0 343.515 3.586 50 0 EHAARO O=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229746891 242197006 /nfs/dbraw/zinc/19/70/06/242197006.db2.gz ICYYEJIQJICFTO-MOPGFXCFSA-N 1 0 343.471 3.756 50 0 EHAARO O=C(CC[N@@H+]1CCc2sccc2C1)Nc1ccc2c(c1)CCC2 ZINC000021420103 212224745 /nfs/dbraw/zinc/22/47/45/212224745.db2.gz CRHZLFJAQKNKEY-UHFFFAOYSA-N 1 0 326.465 3.624 50 0 EHAARO C[NH+](C)C1(CNC(=O)c2ccccc2OC(F)F)CCCCCC1 ZINC000021201265 212215895 /nfs/dbraw/zinc/21/58/95/212215895.db2.gz XJSZNGIXGFRFBU-UHFFFAOYSA-N 1 0 340.414 3.672 50 0 EHAARO O=C(NC[C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000021175384 212213727 /nfs/dbraw/zinc/21/37/27/212213727.db2.gz HNBPNUQVQPNMMO-LBPRGKRZSA-N 1 0 339.842 3.865 50 0 EHAARO CC[NH+](CC)CCCNC(=O)C1=Cc2sc(C)c(C)c2CS1 ZINC000020931133 212189461 /nfs/dbraw/zinc/18/94/61/212189461.db2.gz HLGPYLGJZHFNJP-UHFFFAOYSA-N 1 0 338.542 3.801 50 0 EHAARO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)[C@H]1C ZINC000239302816 242951440 /nfs/dbraw/zinc/95/14/40/242951440.db2.gz FOYBDPMGKFULCJ-OAOQPFQOSA-N 1 0 325.880 3.632 50 0 EHAARO Cc1ccc(NC(=O)CC[N@H+](C)CC[C@H](O)c2ccccc2)cc1C ZINC000243919541 243033954 /nfs/dbraw/zinc/03/39/54/243033954.db2.gz BOSKMJHZOMWBCT-FQEVSTJZSA-N 1 0 340.467 3.688 50 0 EHAARO Cc1ccsc1CN(C)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244647069 243051014 /nfs/dbraw/zinc/05/10/14/243051014.db2.gz GUOYKOWBUFRIEZ-HDJSIYSDSA-N 1 0 328.485 3.565 50 0 EHAARO Cc1nccn1C[C@@H]1CCC[N@@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000020119314 212102723 /nfs/dbraw/zinc/10/27/23/212102723.db2.gz YHNKFBGZWZSVCW-SJLPKXTDSA-N 1 0 337.471 3.514 50 0 EHAARO CC1CCC([NH2+]CC(=O)Nc2ccccc2Br)CC1 ZINC000020050210 212097978 /nfs/dbraw/zinc/09/79/78/212097978.db2.gz CMNHHNDFRWKEGZ-UHFFFAOYSA-N 1 0 325.250 3.556 50 0 EHAARO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020100533 212100293 /nfs/dbraw/zinc/10/02/93/212100293.db2.gz VMRMVZQEJRLATM-UHFFFAOYSA-N 1 0 342.870 3.868 50 0 EHAARO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000019849889 212076037 /nfs/dbraw/zinc/07/60/37/212076037.db2.gz KIBFEGUFVBIKGE-UNMCSNQZSA-N 1 0 348.446 3.939 50 0 EHAARO Clc1cccc2c1Sc1ccccc1C[C@@H]2N1CC[NH2+]CC1 ZINC000019802438 212070312 /nfs/dbraw/zinc/07/03/12/212070312.db2.gz DCZIXOHFCAHNKD-INIZCTEOSA-N 1 0 330.884 3.994 50 0 EHAARO CCOC(=O)N1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000019634850 212053157 /nfs/dbraw/zinc/05/31/57/212053157.db2.gz NNWZFKVGMPTAGD-UHFFFAOYSA-N 1 0 338.451 3.593 50 0 EHAARO Fc1ccc(C(CCCN2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000019203141 212003950 /nfs/dbraw/zinc/00/39/50/212003950.db2.gz XMRZXPIHMZRNQC-UHFFFAOYSA-N 1 0 330.422 3.782 50 0 EHAARO O=C(Nc1nc(C2CC2)cs1)NC1CC[NH+](C2CCCC2)CC1 ZINC000079014486 217174728 /nfs/dbraw/zinc/17/47/28/217174728.db2.gz QEKLMXSIYWECST-UHFFFAOYSA-N 1 0 334.489 3.549 50 0 EHAARO CCCC(=O)NC[C@H]1CCCN(c2cc[nH+]c3cc(F)ccc32)C1 ZINC000079096761 217191545 /nfs/dbraw/zinc/19/15/45/217191545.db2.gz NMJACQAIYVSXGV-CQSZACIVSA-N 1 0 329.419 3.507 50 0 EHAARO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012760563 211447723 /nfs/dbraw/zinc/44/77/23/211447723.db2.gz ICUCPHOIDUWIGP-CQSZACIVSA-N 1 0 342.414 3.943 50 0 EHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)Nc1ccccc1F ZINC000012460073 211388894 /nfs/dbraw/zinc/38/88/94/211388894.db2.gz KZTZVVNQWCTFRE-INIZCTEOSA-N 1 0 341.430 3.852 50 0 EHAARO CCc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(OC)c3)C2)o1 ZINC000012440485 211383094 /nfs/dbraw/zinc/38/30/94/211383094.db2.gz DLDVWXNHJYCVIT-OAQYLSRUSA-N 1 0 343.467 3.668 50 0 EHAARO CCCCc1nc2cc(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)ccc2o1 ZINC000012303492 211338474 /nfs/dbraw/zinc/33/84/74/211338474.db2.gz ICWOIDFMYKHXSF-HNNXBMFYSA-N 1 0 343.471 3.631 50 0 EHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccsc3)C2)cc1OC ZINC000012196637 211316736 /nfs/dbraw/zinc/31/67/36/211316736.db2.gz SSQYWVCICUXZCY-MRXNPFEDSA-N 1 0 345.464 3.860 50 0 EHAARO CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)C1CCC1 ZINC000012111911 211290584 /nfs/dbraw/zinc/29/05/84/211290584.db2.gz ZKYVLKRLQINMJU-QGZVFWFLSA-N 1 0 348.918 3.853 50 0 EHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](CC2CC2)CC1 ZINC000011948912 211274569 /nfs/dbraw/zinc/27/45/69/211274569.db2.gz QJEGUNSLMQMXRN-UHFFFAOYSA-N 1 0 331.456 3.511 50 0 EHAARO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000011818062 211251939 /nfs/dbraw/zinc/25/19/39/211251939.db2.gz VNXGSLNBBSUNPG-FQEVSTJZSA-N 1 0 332.463 3.686 50 0 EHAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)c2)c1 ZINC000011821513 211252575 /nfs/dbraw/zinc/25/25/75/211252575.db2.gz PIFOVFZZBITQFY-FQEVSTJZSA-N 1 0 332.451 3.949 50 0 EHAARO C[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)nc2)CC[C@@]1(O)C1CCC1 ZINC000091649712 218039595 /nfs/dbraw/zinc/03/95/95/218039595.db2.gz NNAZAXOMHUNPQA-KUHUBIRLSA-N 1 0 343.496 3.578 50 0 EHAARO Cc1c(F)cccc1C[NH+]1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091876944 218082371 /nfs/dbraw/zinc/08/23/71/218082371.db2.gz XGPJRQWTTKERRV-UHFFFAOYSA-N 1 0 330.447 3.501 50 0 EHAARO CC[C@@]1(CO)CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)nc2)C1 ZINC000092097498 218118373 /nfs/dbraw/zinc/11/83/73/218118373.db2.gz PJCBBQXGUOFGJX-LJQANCHMSA-N 1 0 345.874 3.782 50 0 EHAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCc2ccccc2C1 ZINC000010691278 211187017 /nfs/dbraw/zinc/18/70/17/211187017.db2.gz KHMRBPSNABNTFB-UHFFFAOYSA-N 1 0 334.463 3.871 50 0 EHAARO COc1ccc(OC)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010339002 211166373 /nfs/dbraw/zinc/16/63/73/211166373.db2.gz KIOLUDQNRACIIZ-UHFFFAOYSA-N 1 0 340.423 3.552 50 0 EHAARO COc1ccccc1OCC[N@@H+]1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095363719 218296556 /nfs/dbraw/zinc/29/65/56/218296556.db2.gz NHQLUZNIKDCMNK-QGZVFWFLSA-N 1 0 343.471 3.731 50 0 EHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)c1ccccc1Cl ZINC000008862575 211012825 /nfs/dbraw/zinc/01/28/25/211012825.db2.gz WRCGSQKZLVQXPN-INIZCTEOSA-N 1 0 334.872 3.968 50 0 EHAARO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCC(C)CC1)c1cnccn1 ZINC000095419242 218359290 /nfs/dbraw/zinc/35/92/90/218359290.db2.gz FUFZRUMWBGZAGW-RDJZCZTQSA-N 1 0 330.501 3.662 50 0 EHAARO NC(=O)c1csc(C[NH2+][C@@H](c2cc3ccccc3o2)C2CC2)c1 ZINC000095427539 218369811 /nfs/dbraw/zinc/36/98/11/218369811.db2.gz ZJRGPWNZDDWYFO-QGZVFWFLSA-N 1 0 326.421 3.834 50 0 EHAARO Cc1nccn1-c1ccc(C[NH2+][C@H](CC(C)C)c2ccccn2)cn1 ZINC000095420598 218362304 /nfs/dbraw/zinc/36/23/04/218362304.db2.gz IHJACJKXUMTIEM-LJQANCHMSA-N 1 0 335.455 3.848 50 0 EHAARO COc1ccccc1[C@@H](C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000095421656 218364347 /nfs/dbraw/zinc/36/43/47/218364347.db2.gz COWLGIQCUSUVBV-LSDHHAIUSA-N 1 0 347.480 3.553 50 0 EHAARO C[C@@H](NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1)c1ccco1 ZINC000095422923 218365400 /nfs/dbraw/zinc/36/54/00/218365400.db2.gz FLBLNEYTWAWAHN-IAGOWNOFSA-N 1 0 328.456 3.830 50 0 EHAARO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000095423008 218365407 /nfs/dbraw/zinc/36/54/07/218365407.db2.gz YLPOXIBTCSDAHH-ZDUSSCGKSA-N 1 0 345.512 3.828 50 0 EHAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1CCC(O)CC1 ZINC000008345221 210940930 /nfs/dbraw/zinc/94/09/30/210940930.db2.gz WZJIHESNZHUKBZ-UHFFFAOYSA-N 1 0 347.890 3.595 50 0 EHAARO CC(C)[C@H](C)[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)C1CC1 ZINC000095453808 218397548 /nfs/dbraw/zinc/39/75/48/218397548.db2.gz SXXCEZKAAABNBD-AWEZNQCLSA-N 1 0 341.455 3.857 50 0 EHAARO CCOc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OCC ZINC000005013573 210360934 /nfs/dbraw/zinc/36/09/34/210360934.db2.gz KUZBSICIGBHWER-UHFFFAOYSA-N 1 0 348.487 3.523 50 0 EHAARO CCCC[N@H+](C)CCNC(=O)c1cc2cc3ccc(C)cc3nc2o1 ZINC000004907066 210319453 /nfs/dbraw/zinc/31/94/53/210319453.db2.gz UCXQETAEEQZPFV-UHFFFAOYSA-N 1 0 339.439 3.751 50 0 EHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3)cc2)N1 ZINC000004864690 210305021 /nfs/dbraw/zinc/30/50/21/210305021.db2.gz KQKTUTUBAFKNMO-LJQANCHMSA-N 1 0 339.402 3.990 50 0 EHAARO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000097472831 219027690 /nfs/dbraw/zinc/02/76/90/219027690.db2.gz DLFBQRPYDGFPAT-UHFFFAOYSA-N 1 0 331.382 3.757 50 0 EHAARO O[C@@H]1c2ccc(-c3cc(F)c(F)c(F)c3)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426412990 257968970 /nfs/dbraw/zinc/96/89/70/257968970.db2.gz PKMIODPJTCZUJA-VQIMIIECSA-N 1 0 349.352 3.661 50 0 EHAARO C[C@H](c1cccc(-c2c(N3CCCC3)cn[nH]c2=O)c1)[NH+]1CCCC1 ZINC000426369152 257971082 /nfs/dbraw/zinc/97/10/82/257971082.db2.gz HTXYJXONHBSKOL-OAHLLOKOSA-N 1 0 338.455 3.606 50 0 EHAARO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccccc1Oc1ccccc1F ZINC000299771750 258084483 /nfs/dbraw/zinc/08/44/83/258084483.db2.gz XFAYVRLJCLTQEE-CQSZACIVSA-N 1 0 343.402 3.963 50 0 EHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2ccc(NC)cc2)c1 ZINC000299790275 258096289 /nfs/dbraw/zinc/09/62/89/258096289.db2.gz ASIGXDHJENKHTF-FQEVSTJZSA-N 1 0 337.467 3.609 50 0 EHAARO Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299797223 258100900 /nfs/dbraw/zinc/10/09/00/258100900.db2.gz MQMPLMPOBBHSMX-MAUKXSAKSA-N 1 0 337.423 3.613 50 0 EHAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C)s1 ZINC000036101657 524403603 /nfs/dbraw/zinc/40/36/03/524403603.db2.gz YRZLMLNCFPQWMO-QGZVFWFLSA-N 1 0 327.534 3.938 50 0 EHAARO CC(=O)c1cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000244811522 534818557 /nfs/dbraw/zinc/81/85/57/534818557.db2.gz SGAVBXBPCQMLAN-SFHVURJKSA-N 1 0 328.481 3.657 50 0 EHAARO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CC1 ZINC000242389478 535265725 /nfs/dbraw/zinc/26/57/25/535265725.db2.gz ZXNCERLUXYCWSH-AWEZNQCLSA-N 1 0 349.441 3.623 50 0 EHAARO CC(C)c1nc(CCNC(=O)C[C@@H](C)[NH+]2CCCCCC2)cs1 ZINC000244874184 535378681 /nfs/dbraw/zinc/37/86/81/535378681.db2.gz WWDVKCSZJGGENV-OAHLLOKOSA-N 1 0 337.533 3.580 50 0 EHAARO C[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@@H]1CCOC1 ZINC000096496283 563955817 /nfs/dbraw/zinc/95/58/17/563955817.db2.gz GUOJJGJMDJPFOF-WCQYABFASA-N 1 0 335.245 3.512 50 0 EHAARO CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)C[NH2+]C ZINC000001844836 563414234 /nfs/dbraw/zinc/41/42/34/563414234.db2.gz IKACRWYHQXOSGM-LAUBAEHRSA-N 1 0 325.452 3.933 50 0 endogenous,in-man EHAARO CC(C)C(=O)N(c1ccccc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000034682484 563450421 /nfs/dbraw/zinc/45/04/21/563450421.db2.gz VNXHQJLMQUNNSM-UHFFFAOYSA-N 1 0 337.467 3.735 50 0 EHAARO CC[NH+](CC)CCCCOc1ccc(I)cc1 ZINC000002880569 563460811 /nfs/dbraw/zinc/46/08/11/563460811.db2.gz YBEUSIHAGMVGLY-UHFFFAOYSA-N 1 0 347.240 3.792 50 0 EHAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)CC1 ZINC000071909294 563572636 /nfs/dbraw/zinc/57/26/36/563572636.db2.gz XGVKFICAMNGJBL-MAODMQOUSA-N 1 0 349.478 3.527 50 0 EHAARO CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000071911966 563591359 /nfs/dbraw/zinc/59/13/59/563591359.db2.gz DBMSRLSVPATPFC-INIZCTEOSA-N 1 0 337.471 3.558 50 0 EHAARO OCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000007101810 563595362 /nfs/dbraw/zinc/59/53/62/563595362.db2.gz FQIUIPBILMETAQ-UHFFFAOYSA-N 1 0 326.223 3.654 50 0 EHAARO Cc1ccc([C@]2(O)C[N+](c3cccc(C)c3C)=C3CCCCN32)cc1 ZINC000002966251 563624363 /nfs/dbraw/zinc/62/43/63/563624363.db2.gz KKBFMJHJUWLUMZ-JOCHJYFZSA-N 1 0 335.471 3.872 50 0 EHAARO C[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008376998 563628320 /nfs/dbraw/zinc/62/83/20/563628320.db2.gz WUIIAMBQPILIQF-UHFFFAOYSA-N 1 0 336.838 3.757 50 0 EHAARO O=C(NCc1ccccc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012572125 563663547 /nfs/dbraw/zinc/66/35/47/563663547.db2.gz QFHSPQXMPLNJJX-SFHVURJKSA-N 1 0 329.488 3.673 50 0 EHAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2nccs2)C1 ZINC000012711274 563668619 /nfs/dbraw/zinc/66/86/19/563668619.db2.gz SGTCDRBYCANGAO-GOSISDBHSA-N 1 0 343.540 3.838 50 0 EHAARO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2CC3)cc1 ZINC000013124877 563689233 /nfs/dbraw/zinc/68/92/33/563689233.db2.gz GFCLNQMRKBDWHH-GOSISDBHSA-N 1 0 334.810 3.957 50 0 EHAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(O)c(OC)c2)cc1 ZINC000015836937 563794322 /nfs/dbraw/zinc/79/43/22/563794322.db2.gz FFBDEUIXMGJPEB-QGZVFWFLSA-N 1 0 343.423 3.755 50 0 EHAARO CC[NH+]1CCN(c2ccc(NC(=O)CC3CCCC3)cc2C)CC1 ZINC000016299684 563808164 /nfs/dbraw/zinc/80/81/64/563808164.db2.gz YGAQBFWXJHBMQW-UHFFFAOYSA-N 1 0 329.488 3.656 50 0 EHAARO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000016604842 563816989 /nfs/dbraw/zinc/81/69/89/563816989.db2.gz PORRSOJOMYJBLL-OAQYLSRUSA-N 1 0 336.479 3.961 50 0 EHAARO CCOc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000017068130 563831975 /nfs/dbraw/zinc/83/19/75/563831975.db2.gz ZKLRGUYXPUFVHU-UHFFFAOYSA-N 1 0 331.460 3.568 50 0 EHAARO c1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCCCCC4)C3)CC2)cc1 ZINC000020448792 563859353 /nfs/dbraw/zinc/85/93/53/563859353.db2.gz GRCXRDVCGRKLAD-JOCHJYFZSA-N 1 0 341.543 3.996 50 0 EHAARO C[N@H+](Cc1ccccc1N1CCOCC1)Cc1cccc2cccnc21 ZINC000022516411 563863133 /nfs/dbraw/zinc/86/31/33/563863133.db2.gz SWIPRTFWBKNWTF-UHFFFAOYSA-N 1 0 347.462 3.703 50 0 EHAARO O=C(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)Nc1ccc2c(c1)CCC2 ZINC000028852752 563904295 /nfs/dbraw/zinc/90/42/95/563904295.db2.gz XFAYMAAMZVWCQF-HNNXBMFYSA-N 1 0 340.389 3.778 50 0 EHAARO Cc1ccc(C(=O)CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000029788199 563908526 /nfs/dbraw/zinc/90/85/26/563908526.db2.gz UQXKFWGYUXLPGS-UHFFFAOYSA-N 1 0 344.499 3.692 50 0 EHAARO O=c1c2cccc(F)c2ncn1CC[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000032513835 563913812 /nfs/dbraw/zinc/91/38/12/563913812.db2.gz RHMLHBVNXMESAC-INIZCTEOSA-N 1 0 343.446 3.723 50 0 EHAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)cc1 ZINC000057354902 563935590 /nfs/dbraw/zinc/93/55/90/563935590.db2.gz IPCCAFQOUXFBMM-HNNXBMFYSA-N 1 0 338.407 3.564 50 0 EHAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Nc1ccccc1Cl ZINC000058166213 563938629 /nfs/dbraw/zinc/93/86/29/563938629.db2.gz NQRVONGTQUQOQV-UHFFFAOYSA-N 1 0 347.846 3.641 50 0 EHAARO NC(=O)c1ccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000058215194 563939988 /nfs/dbraw/zinc/93/99/88/563939988.db2.gz CDRGOSGEDJAXPB-UHFFFAOYSA-N 1 0 335.234 3.871 50 0 EHAARO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000058245963 563940757 /nfs/dbraw/zinc/94/07/57/563940757.db2.gz XRNUMVHDMWEYJE-GFCCVEGCSA-N 1 0 348.853 3.957 50 0 EHAARO Cc1cccc(OCCN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000059424753 563949100 /nfs/dbraw/zinc/94/91/00/563949100.db2.gz YYOVLFGTWMSXLD-UHFFFAOYSA-N 1 0 330.516 3.962 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccn2)C(C)C)ccc1Cl ZINC000065372734 563958655 /nfs/dbraw/zinc/95/86/55/563958655.db2.gz QOKMHTGAGGPPCA-GOSISDBHSA-N 1 0 331.847 3.969 50 0 EHAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@@H]1c1c(C)noc1C)=C2 ZINC000065386470 563959335 /nfs/dbraw/zinc/95/93/35/563959335.db2.gz WLISTCUVYZHPGL-QGZVFWFLSA-N 1 0 340.423 3.913 50 0 EHAARO COC(=O)c1cc(C)nc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)n1 ZINC000065395252 563959591 /nfs/dbraw/zinc/95/95/91/563959591.db2.gz ILNXWGPDWBFZFR-OAHLLOKOSA-N 1 0 339.439 3.786 50 0 EHAARO CCc1noc([C@H](C)[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000065430543 563960857 /nfs/dbraw/zinc/96/08/57/563960857.db2.gz VRDNJKFUJRCKEC-MNOVXSKESA-N 1 0 327.350 3.933 50 0 EHAARO OCCCC[N@@H+]1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071759203 563965345 /nfs/dbraw/zinc/96/53/45/563965345.db2.gz MBMXVAAJWPPMDX-OAQYLSRUSA-N 1 0 339.479 3.682 50 0 EHAARO Cc1n[nH]c(C)c1NC(=O)C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000097033644 563966881 /nfs/dbraw/zinc/96/68/81/563966881.db2.gz LDQPTZFFCCVRLS-UHFFFAOYSA-N 1 0 346.862 3.678 50 0 EHAARO COc1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cc(Cl)c1OC ZINC000075568141 563967376 /nfs/dbraw/zinc/96/73/76/563967376.db2.gz MKHAZWFUMGKXBO-UHFFFAOYSA-N 1 0 345.830 3.566 50 0 EHAARO Cc1nnc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000097103602 563967580 /nfs/dbraw/zinc/96/75/80/563967580.db2.gz HTPRQJIGSKOPII-OCCSQVGLSA-N 1 0 325.334 3.823 50 0 EHAARO CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH2+]CC1 ZINC000077010820 563968567 /nfs/dbraw/zinc/96/85/67/563968567.db2.gz OUDCJECWXZDMCV-UHFFFAOYSA-N 1 0 336.479 3.792 50 0 EHAARO O=C1CC[C@@]2(CCC[N@H+](CC3CCC3)C2)CN1CCc1ccccc1 ZINC000077505250 563970048 /nfs/dbraw/zinc/97/00/48/563970048.db2.gz CMHZLANBFRUHDX-JOCHJYFZSA-N 1 0 340.511 3.734 50 0 EHAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1Cl ZINC000077505770 563970114 /nfs/dbraw/zinc/97/01/14/563970114.db2.gz XMNKLAGQMKQFLZ-INIZCTEOSA-N 1 0 333.863 3.995 50 0 EHAARO Cc1cc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)cc[nH+]1 ZINC000077519151 563970161 /nfs/dbraw/zinc/97/01/61/563970161.db2.gz AJOCTLPDCNMBKH-HXUWFJFHSA-N 1 0 327.472 3.542 50 0 EHAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000097228495 563970614 /nfs/dbraw/zinc/97/06/14/563970614.db2.gz IOSBXVZHCTUGDU-GQIGUUNPSA-N 1 0 340.467 3.850 50 0 EHAARO Cc1nnc(CCC[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)o1 ZINC000097230590 563970690 /nfs/dbraw/zinc/97/06/90/563970690.db2.gz FKEVKDSHHFWZLN-ZDUSSCGKSA-N 1 0 337.826 3.810 50 0 EHAARO O=C1Nc2ccccc2NC12CCN(c1cc[nH+]c3ccccc31)CC2 ZINC000082108477 563972334 /nfs/dbraw/zinc/97/23/34/563972334.db2.gz BQGRVXFUDZUOMD-UHFFFAOYSA-N 1 0 344.418 3.638 50 0 EHAARO Cc1ccccc1OC[C@H]1CN(C[NH+](CC(C)C)CC(C)C)C(=O)O1 ZINC000000090391 563976527 /nfs/dbraw/zinc/97/65/27/563976527.db2.gz QEUGZHFVSFRNTG-GOSISDBHSA-N 1 0 348.487 3.766 50 0 EHAARO CCCc1nc(C)cc(N2CCC([NH2+]CCCc3ccco3)CC2)n1 ZINC000095496569 563977010 /nfs/dbraw/zinc/97/70/10/563977010.db2.gz VDYFDODVFZCFQX-UHFFFAOYSA-N 1 0 342.487 3.522 50 0 EHAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(Cc2ccccc2)c1 ZINC000095523147 563977395 /nfs/dbraw/zinc/97/73/95/563977395.db2.gz FLYNJNOXXOKUSN-RTWAWAEBSA-N 1 0 349.478 3.978 50 0 EHAARO Cc1c2ccccc2oc1C[N@@H+]1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095529816 563977538 /nfs/dbraw/zinc/97/75/38/563977538.db2.gz CSNYDKNJVVXOES-XMSQKQJNSA-N 1 0 349.430 3.712 50 0 EHAARO COc1cccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000000212615 563988540 /nfs/dbraw/zinc/98/85/40/563988540.db2.gz NTXBVPOEEVMDNG-UHFFFAOYSA-N 1 0 349.525 3.517 50 0 EHAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000000212621 563988564 /nfs/dbraw/zinc/98/85/64/563988564.db2.gz DLETVWZIMQKSRP-UHFFFAOYSA-N 1 0 333.526 3.817 50 0 EHAARO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000000317581 563991046 /nfs/dbraw/zinc/99/10/46/563991046.db2.gz JALWBONSQULJSZ-OAHLLOKOSA-N 1 0 334.891 3.811 50 0 EHAARO C[C@H](CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1C(F)(F)F ZINC000237469561 563992557 /nfs/dbraw/zinc/99/25/57/563992557.db2.gz FQULFCMFMSWKTK-HZSPNIEDSA-N 1 0 342.405 3.785 50 0 EHAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@H]1C)c1ccccc1C(F)(F)F ZINC000408519163 563993089 /nfs/dbraw/zinc/99/30/89/563993089.db2.gz KYBTUTIUMIJNER-UPJWGTAASA-N 1 0 328.378 3.537 50 0 EHAARO CCCCN(CCCC)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000408520996 563993160 /nfs/dbraw/zinc/99/31/60/563993160.db2.gz DXLWHJWYPYUOGB-QGZVFWFLSA-N 1 0 326.550 3.633 50 0 EHAARO Cc1ccc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000061567106 563994628 /nfs/dbraw/zinc/99/46/28/563994628.db2.gz RFXUGBCRFNBMHK-UHFFFAOYSA-N 1 0 348.537 3.689 50 0 EHAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCCc2cc(Cl)sc2Cl)C1 ZINC000156526325 563995976 /nfs/dbraw/zinc/99/59/76/563995976.db2.gz QIJMIDFRCWLTAA-CMPLNLGQSA-N 1 0 349.327 3.963 50 0 EHAARO Cc1ccccc1C1CC([NH2+]Cc2ccnc(O[C@H]3CCOC3)c2)C1 ZINC000128192879 563996101 /nfs/dbraw/zinc/99/61/01/563996101.db2.gz DGXHJGCFKQBLAP-ACBHZAAOSA-N 1 0 338.451 3.594 50 0 EHAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000248163024 563996438 /nfs/dbraw/zinc/99/64/38/563996438.db2.gz YOACYIMJWBLZJL-CHWSQXEVSA-N 1 0 347.509 3.570 50 0 EHAARO C[C@H]1C[C@@H](C(=O)Nc2nc3ccccc3n2C2CCCCC2)CC[NH2+]1 ZINC000262409749 563999607 /nfs/dbraw/zinc/99/96/07/563999607.db2.gz PCQWUSMMOAOTDS-GJZGRUSLSA-N 1 0 340.471 3.868 50 0 EHAARO CC[NH+](CC)C[C@H]1C(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000005471056 564004461 /nfs/dbraw/zinc/00/44/61/564004461.db2.gz HPSDHIVJUOTFMB-UXHICEINSA-N 1 0 338.451 3.741 50 0 EHAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000005602448 564006285 /nfs/dbraw/zinc/00/62/85/564006285.db2.gz CNFMBIPJMFKTES-UHFFFAOYSA-N 1 0 329.447 3.993 50 0 EHAARO Cc1cccc(F)c1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000274180509 564008180 /nfs/dbraw/zinc/00/81/80/564008180.db2.gz XWYMAQCYCGDECN-UHFFFAOYSA-N 1 0 342.418 3.567 50 0 EHAARO Cc1ccc2c(CC(=O)NCCC[NH+]3CCCCC3)coc2c1C ZINC000017812213 564013055 /nfs/dbraw/zinc/01/30/55/564013055.db2.gz AATZWGZBDNCYNG-UHFFFAOYSA-N 1 0 328.456 3.584 50 0 EHAARO COc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(OC)c1OC ZINC000005720367 564014178 /nfs/dbraw/zinc/01/41/78/564014178.db2.gz UQWIKDMJBQJPQA-KRWDZBQOSA-N 1 0 327.424 3.880 50 0 EHAARO COc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c(OC)c1OC ZINC000005720366 564014183 /nfs/dbraw/zinc/01/41/83/564014183.db2.gz UQWIKDMJBQJPQA-QGZVFWFLSA-N 1 0 327.424 3.880 50 0 EHAARO COc1ccc2[nH]c(C)c([C@H](O)C[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000000533349 564021975 /nfs/dbraw/zinc/02/19/75/564021975.db2.gz NKIFUGAYODBNPP-HXUWFJFHSA-N 1 0 336.435 3.577 50 0 biogenic EHAARO C[C@H](CNC(=O)Nc1cccc(OC(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000105724762 564025310 /nfs/dbraw/zinc/02/53/10/564025310.db2.gz OZDQCQONSXHERI-QWHCGFSZSA-N 1 0 341.402 3.530 50 0 EHAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000107347173 564026902 /nfs/dbraw/zinc/02/69/02/564026902.db2.gz IOYRAHSBLQGCLG-HSALFYBXSA-N 1 0 326.484 3.657 50 0 EHAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H](C)c1ccsc1 ZINC000108083414 564027657 /nfs/dbraw/zinc/02/76/57/564027657.db2.gz KCLQVFQRRTZEIZ-DKSSEZFCSA-N 1 0 340.492 3.995 50 0 EHAARO CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000108176449 564027992 /nfs/dbraw/zinc/02/79/92/564027992.db2.gz URZHKDCKLZBCFC-IRXDYDNUSA-N 1 0 327.472 3.589 50 0 EHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000045150679 564028176 /nfs/dbraw/zinc/02/81/76/564028176.db2.gz MJXMQNAUXNWTTG-IBGZPJMESA-N 1 0 349.494 3.942 50 0 EHAARO Cc1occc1C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048884977 564032294 /nfs/dbraw/zinc/03/22/94/564032294.db2.gz IGKRSLAHLHKBTQ-IYBDPMFKSA-N 1 0 340.467 3.996 50 0 EHAARO Cc1ccc(CNC(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000033312173 564036675 /nfs/dbraw/zinc/03/66/75/564036675.db2.gz XSWBFMOTXJKMKV-SFHVURJKSA-N 1 0 343.515 3.649 50 0 EHAARO CN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1Cc2ccccc2C1 ZINC000222346524 564036810 /nfs/dbraw/zinc/03/68/10/564036810.db2.gz OTACMNKIGLAQFK-JOCHJYFZSA-N 1 0 348.490 3.667 50 0 EHAARO COCCCC[NH+]1CCN(Cc2ccc(-c3ccccc3F)o2)CC1 ZINC000223400813 564039810 /nfs/dbraw/zinc/03/98/10/564039810.db2.gz OAJTZOUDNYMTBZ-UHFFFAOYSA-N 1 0 346.446 3.630 50 0 EHAARO Brc1ccccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000225518985 564047499 /nfs/dbraw/zinc/04/74/99/564047499.db2.gz MELIEYYARTYYMD-MRXNPFEDSA-N 1 0 347.256 3.635 50 0 EHAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244858607 564052369 /nfs/dbraw/zinc/05/23/69/564052369.db2.gz VOGAZANACSOPIM-QGZVFWFLSA-N 1 0 339.435 3.901 50 0 EHAARO CC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000025229032 564053854 /nfs/dbraw/zinc/05/38/54/564053854.db2.gz ASVTUSWKXGUDDQ-SJLPKXTDSA-N 1 0 345.464 3.528 50 0 EHAARO CCOc1ccc2c(c1)sc(=S)n2CN1C[C@@H](C)O[C@@H](C)C1 ZINC000012616550 564060643 /nfs/dbraw/zinc/06/06/43/564060643.db2.gz DJRPKESWGJCLQS-TXEJJXNPSA-N 1 0 338.498 3.898 50 0 EHAARO CC[N@H+](C)C(C)(C)CNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000534667298 564061541 /nfs/dbraw/zinc/06/15/41/564061541.db2.gz AWBFOQPINRVYOF-UHFFFAOYSA-N 1 0 342.487 3.572 50 0 EHAARO C[C@H](Sc1ccccn1)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000084098296 564066463 /nfs/dbraw/zinc/06/64/63/564066463.db2.gz FCKYZMMFHBZHTJ-HNNXBMFYSA-N 1 0 341.480 3.797 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000084205261 564067380 /nfs/dbraw/zinc/06/73/80/564067380.db2.gz JHWZQPMGEBSWFZ-NVXWUHKLSA-N 1 0 328.481 3.898 50 0 EHAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000084736286 564069928 /nfs/dbraw/zinc/06/99/28/564069928.db2.gz HNAQZVZEVSKJPX-RDTXWAMCSA-N 1 0 346.446 3.945 50 0 EHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000012784466 564070207 /nfs/dbraw/zinc/07/02/07/564070207.db2.gz SVKAYOXFMDMLSS-HNNXBMFYSA-N 1 0 349.261 3.998 50 0 EHAARO Clc1cc(C[NH2+]CCNc2ccccc2)cc2c1OCCCO2 ZINC000075108029 564080202 /nfs/dbraw/zinc/08/02/02/564080202.db2.gz JVROQFYSQWGSIA-UHFFFAOYSA-N 1 0 332.831 3.703 50 0 EHAARO Cc1nc2ccccc2n1[C@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC000575615343 564083400 /nfs/dbraw/zinc/08/34/00/564083400.db2.gz DBOYLTNZQAWBFC-SFHVURJKSA-N 1 0 333.435 3.669 50 0 EHAARO O=C(CN1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccccc1 ZINC000013011408 564086730 /nfs/dbraw/zinc/08/67/30/564086730.db2.gz MILCNTNPEJQCES-UHFFFAOYSA-N 1 0 331.419 3.896 50 0 EHAARO Cc1ccc(C)c([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)c1 ZINC000001744511 564086991 /nfs/dbraw/zinc/08/69/91/564086991.db2.gz MIPJIUWYNBNKNM-QFIPXVFZSA-N 1 0 335.471 3.954 50 0 EHAARO C[C@@H]1CN(c2ccc(C[NH2+][C@H]3CCCc4sccc43)cn2)CCO1 ZINC000240444185 564088249 /nfs/dbraw/zinc/08/82/49/564088249.db2.gz FWLJBSGNLQZFNG-PBHICJAKSA-N 1 0 343.496 3.535 50 0 EHAARO C[NH+](C)CC1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000089314200 564089655 /nfs/dbraw/zinc/08/96/55/564089655.db2.gz DLGFFYXMEJMFLV-UHFFFAOYSA-N 1 0 340.920 3.669 50 0 EHAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1cnc(-c2ccccc2)s1 ZINC000089375344 564089933 /nfs/dbraw/zinc/08/99/33/564089933.db2.gz WLJWOZWZZKPKTJ-ROUUACIJSA-N 1 0 327.497 3.869 50 0 EHAARO CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@@H+]3C[C@@H]4CC)c2c1 ZINC000003999904 564090701 /nfs/dbraw/zinc/09/07/01/564090701.db2.gz SUWZHLCNFQWNPE-LATRNWQMSA-N 1 0 340.467 3.787 50 0 in-man EHAARO CC[NH+](CC)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006605114 564093058 /nfs/dbraw/zinc/09/30/58/564093058.db2.gz ZPBWERVMXCTWHS-IBGZPJMESA-N 1 0 349.421 3.774 50 0 EHAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cc1F ZINC000006648798 564095270 /nfs/dbraw/zinc/09/52/70/564095270.db2.gz BQJQAROIJRUFGV-AWEZNQCLSA-N 1 0 325.387 3.871 50 0 EHAARO Cc1ccc(C)c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000155442051 564098401 /nfs/dbraw/zinc/09/84/01/564098401.db2.gz WKTVFDFTNBNLAU-QGZVFWFLSA-N 1 0 337.467 3.654 50 0 EHAARO CCC[NH+](CCC)CCCn1cnc2c3cc(F)ccc3[nH]c2c1=O ZINC000006809334 564098415 /nfs/dbraw/zinc/09/84/15/564098415.db2.gz DUEJHRPVKQCAFW-UHFFFAOYSA-N 1 0 344.434 3.529 50 0 EHAARO CSCc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000006983470 564102639 /nfs/dbraw/zinc/10/26/39/564102639.db2.gz SLKXJOAYHDPMRF-UHFFFAOYSA-N 1 0 328.481 3.541 50 0 EHAARO Cc1cc(N[C@@H](C)Cc2ccsc2)cc(N2CC[NH+](C)CC2)c1 ZINC000170608792 564109744 /nfs/dbraw/zinc/10/97/44/564109744.db2.gz YNCMWPCCIFMYSH-INIZCTEOSA-N 1 0 329.513 3.851 50 0 EHAARO Cc1nccn1C[C@H](C)C[N@H+](C)Cc1ccccc1Br ZINC000089735524 564113465 /nfs/dbraw/zinc/11/34/65/564113465.db2.gz ZZXZRPQNXIORCY-CYBMUJFWSA-N 1 0 336.277 3.722 50 0 EHAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000089948891 564115759 /nfs/dbraw/zinc/11/57/59/564115759.db2.gz WISOIQISVLGWSO-CXAGYDPISA-N 1 0 338.854 3.606 50 0 EHAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc3cc(C)ccc3o2)[C@@H](CC)C1 ZINC000089948848 564115763 /nfs/dbraw/zinc/11/57/63/564115763.db2.gz ZZOTZXQRPSQNCS-MAUKXSAKSA-N 1 0 328.456 3.868 50 0 EHAARO O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)[C@H]1CCCc2nc[nH]c21 ZINC000252482486 564119224 /nfs/dbraw/zinc/11/92/24/564119224.db2.gz DGRYJRSEINHSOG-PKOBYXMFSA-N 1 0 349.409 3.875 50 0 EHAARO C[N@H+](C[C@H](O)CCc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000252512020 564120121 /nfs/dbraw/zinc/12/01/21/564120121.db2.gz LNVKTJAPYHTFRQ-FCHUYYIVSA-N 1 0 338.495 3.581 50 0 EHAARO NC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000065966510 564122651 /nfs/dbraw/zinc/12/26/51/564122651.db2.gz HTBZPVVUQDLLPO-FQEVSTJZSA-N 1 0 333.435 3.574 50 0 EHAARO [NH3+][C@H](CCC(=O)N1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000195543125 564123673 /nfs/dbraw/zinc/12/36/73/564123673.db2.gz UZWIDHAZAACBHN-RTBURBONSA-N 1 0 326.415 3.969 50 0 EHAARO CC(C)[C@H](NCc1ncc(C2CC2)o1)c1ccc2c(c1)OCCO2 ZINC000253419223 564130955 /nfs/dbraw/zinc/13/09/55/564130955.db2.gz HLAWQIRBEHZRIK-IBGZPJMESA-N 1 0 328.412 3.810 50 0 EHAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000253428995 564131328 /nfs/dbraw/zinc/13/13/28/564131328.db2.gz BSVNHEHVLKFVST-HNNXBMFYSA-N 1 0 343.393 3.739 50 0 EHAARO C[C@@H](CCN(C)C(=O)NC1(c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000584899154 564131711 /nfs/dbraw/zinc/13/17/11/564131711.db2.gz HKZIWAIUHVZTFY-HNNXBMFYSA-N 1 0 349.906 3.845 50 0 EHAARO C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000253431359 564131810 /nfs/dbraw/zinc/13/18/10/564131810.db2.gz GWCYOXOQMXOOOS-OXJNMPFZSA-N 1 0 344.499 3.627 50 0 EHAARO c1ccc2oc(C3CC[NH+](CCCO[C@@H]4CCCCO4)CC3)nc2c1 ZINC000328586378 564136505 /nfs/dbraw/zinc/13/65/05/564136505.db2.gz FVKDUSDTVPDZPM-LJQANCHMSA-N 1 0 344.455 3.941 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C2CC2)CC1 ZINC000078721351 564136944 /nfs/dbraw/zinc/13/69/44/564136944.db2.gz UULQWJDZGYTVPF-SJORKVTESA-N 1 0 348.437 3.544 50 0 EHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cnc(C(C)(C)C)s2)cn1 ZINC000078880634 564137333 /nfs/dbraw/zinc/13/73/33/564137333.db2.gz XDAYBLNKSRKOJE-XJKSGUPXSA-N 1 0 348.516 3.524 50 0 EHAARO C[C@@H]([NH2+]Cc1ccnc2[nH]ccc21)c1ccc(NC(=O)C2CC2)cc1 ZINC000095462187 564140856 /nfs/dbraw/zinc/14/08/56/564140856.db2.gz MDGAMTANVPFWJN-CYBMUJFWSA-N 1 0 334.423 3.762 50 0 EHAARO CC(C)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1cccc(C(F)(F)F)c1 ZINC000095967619 564143078 /nfs/dbraw/zinc/14/30/78/564143078.db2.gz QFLWKVGJFBKWGM-OAHLLOKOSA-N 1 0 343.393 3.535 50 0 EHAARO C[C@@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000095967976 564143142 /nfs/dbraw/zinc/14/31/42/564143142.db2.gz ONOZDOIVZYNMPV-MRXNPFEDSA-N 1 0 349.434 3.769 50 0 EHAARO CSc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000095969301 564143355 /nfs/dbraw/zinc/14/33/55/564143355.db2.gz MADDTSTXEQNBEO-AWEZNQCLSA-N 1 0 349.521 3.971 50 0 EHAARO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000095988572 564144048 /nfs/dbraw/zinc/14/40/48/564144048.db2.gz FZAKBZCRUWGAPS-RTBURBONSA-N 1 0 346.377 3.543 50 0 EHAARO Cc1occc1C(=O)NC1CC[NH+](CCSc2ccccc2)CC1 ZINC000096410325 564147582 /nfs/dbraw/zinc/14/75/82/564147582.db2.gz QMTPIFNHOAVGKT-UHFFFAOYSA-N 1 0 344.480 3.575 50 0 EHAARO CO[C@@H](C)c1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000096452213 564148244 /nfs/dbraw/zinc/14/82/44/564148244.db2.gz GLVQKWFKHPNKRK-HNNXBMFYSA-N 1 0 345.487 3.923 50 0 EHAARO C[NH+](C)CCC(=O)Nc1ccc(NCc2cccc3cccnc32)cc1 ZINC000096482813 564148599 /nfs/dbraw/zinc/14/85/99/564148599.db2.gz UHPHMQZEUIFUNN-UHFFFAOYSA-N 1 0 348.450 3.737 50 0 EHAARO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(Br)s1 ZINC000161740678 564149878 /nfs/dbraw/zinc/14/98/78/564149878.db2.gz VPBRIEUKBKGUHU-JTQLQIEISA-N 1 0 346.290 3.847 50 0 EHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000029838643 564154274 /nfs/dbraw/zinc/15/42/74/564154274.db2.gz RUGMLGQRSBWAKS-UHFFFAOYSA-N 1 0 328.843 3.518 50 0 EHAARO COc1cccc(CCC(=O)NCC2([NH+]3CCCCC3)CCCC2)c1 ZINC000670439139 564157577 /nfs/dbraw/zinc/15/75/77/564157577.db2.gz LVSMQBLRCOQMDG-UHFFFAOYSA-N 1 0 344.499 3.543 50 0 EHAARO Cc1ccc(C)c(-c2csc3ncn([C@@H]4CCC[NH2+]C4)c(=O)c23)c1 ZINC000670463416 564161506 /nfs/dbraw/zinc/16/15/06/564161506.db2.gz DMQRXFUTEDLGBM-CQSZACIVSA-N 1 0 339.464 3.666 50 0 EHAARO Cc1sc2ncnc(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2c1C ZINC000007980961 564161712 /nfs/dbraw/zinc/16/17/12/564161712.db2.gz VSXRMURGJRAOCU-MRXNPFEDSA-N 1 0 338.480 3.995 50 0 in-vitro EHAARO C[NH+](C)CCNc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000008147760 564163181 /nfs/dbraw/zinc/16/31/81/564163181.db2.gz JGGAVBUBPVTONO-UHFFFAOYSA-N 1 0 332.860 3.985 50 0 EHAARO C[NH+](C)Cc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1 ZINC000008429349 564165266 /nfs/dbraw/zinc/16/52/66/564165266.db2.gz LNYIXTWSUJUZBW-UHFFFAOYSA-N 1 0 348.446 3.597 50 0 EHAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2c(OC)ccc(OC)c2c1=O ZINC000008717988 564166893 /nfs/dbraw/zinc/16/68/93/564166893.db2.gz CHOKZMRWFABVDV-UHFFFAOYSA-N 1 0 332.444 3.888 50 0 EHAARO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000069696423 564171506 /nfs/dbraw/zinc/17/15/06/564171506.db2.gz JXLYFIAMTADONL-UHFFFAOYSA-N 1 0 346.519 3.728 50 0 EHAARO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000069737741 564171787 /nfs/dbraw/zinc/17/17/87/564171787.db2.gz QCTSNVFIFNSAPH-VXGBXAGGSA-N 1 0 344.286 3.648 50 0 EHAARO C[NH+](C)C1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 ZINC000071828401 564175720 /nfs/dbraw/zinc/17/57/20/564175720.db2.gz WXZSKXBCJIWYSI-UHFFFAOYSA-N 1 0 337.876 3.563 50 0 EHAARO CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000071870779 564176189 /nfs/dbraw/zinc/17/61/89/564176189.db2.gz JZOOUGCSRVHNGU-KURKYZTESA-N 1 0 341.430 3.552 50 0 EHAARO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000497444060 1014654218 /nfs/dbraw/zinc/65/42/18/1014654218.db2.gz HXUUYZIZOUBOHW-LJQANCHMSA-N 1 0 329.488 3.572 50 0 EHAARO CC(C)c1csc(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC000934857665 1034411519 /nfs/dbraw/zinc/41/15/19/1034411519.db2.gz DQOFNHGNCGCQEU-UHFFFAOYSA-N 1 0 347.484 3.775 50 0 EHAARO Cc1ccc2c(c1)ncn(CC[C@H]1CCCC[N@@H+]1C1CCCC1)c2=O ZINC000032547784 1037380579 /nfs/dbraw/zinc/38/05/79/1037380579.db2.gz IMOHRLNZCRBJTA-GOSISDBHSA-N 1 0 339.483 3.892 50 0 EHAARO O=C(/C=C\c1cccs1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000096646005 1038433656 /nfs/dbraw/zinc/43/36/56/1038433656.db2.gz XQSDAPGYYMOBIY-QWGSZXSUSA-N 1 0 330.453 3.698 50 0 EHAARO OCC[C@@H](C[NH2+][C@@H]1COCc2cccc(Cl)c21)c1ccccc1 ZINC000798183997 1039556229 /nfs/dbraw/zinc/55/62/29/1039556229.db2.gz PUPNUQTWVOIWEK-MAUKXSAKSA-N 1 0 331.843 3.667 50 0 EHAARO CN1CCC([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000354973013 1127215874 /nfs/dbraw/zinc/21/58/74/1127215874.db2.gz VXEAFSPENHNAEL-LJQANCHMSA-N 1 0 329.875 3.703 50 0 EHAARO CCCCc1oc2ccccc2c1C[NH+]1CCC(C(=O)NC)CC1 ZINC000179822032 1123866688 /nfs/dbraw/zinc/86/66/88/1123866688.db2.gz XCHNGKJJEOXNRY-UHFFFAOYSA-N 1 0 328.456 3.733 50 0 EHAARO Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)nc2ccccc12 ZINC000825138936 1131252764 /nfs/dbraw/zinc/25/27/64/1131252764.db2.gz OLMZYQRKZJWOPW-UHFFFAOYSA-N 1 0 339.483 3.990 50 0 EHAARO Cc1cccc(-c2ncc(C[NH+]3CCC(c4cc[nH]n4)CC3)cn2)c1 ZINC000825224806 1131258433 /nfs/dbraw/zinc/25/84/33/1131258433.db2.gz YOLRAZBRHSYEQO-UHFFFAOYSA-N 1 0 333.439 3.555 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)COc2ccccc2)CC1 ZINC000581787775 1132356018 /nfs/dbraw/zinc/35/60/18/1132356018.db2.gz CEUVTNQLQCZEGP-LJQANCHMSA-N 1 0 344.499 3.569 50 0 EHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC000581787858 1132356435 /nfs/dbraw/zinc/35/64/35/1132356435.db2.gz FJSGBVMNXJHCDT-SFHVURJKSA-N 1 0 346.490 3.729 50 0 EHAARO CO[C@@H]1CN(c2cccc(F)c2)C12CC[NH+](C1CCCCC1)CC2 ZINC000581812519 1132366069 /nfs/dbraw/zinc/36/60/69/1132366069.db2.gz PTAWXSLYJGVTAF-LJQANCHMSA-N 1 0 332.463 3.828 50 0 EHAARO COc1cccc(C[N@@H+]2CCC[C@@H](Cn3c(C)cnc3C3CC3)C2)c1 ZINC000581807541 1132369487 /nfs/dbraw/zinc/36/94/87/1132369487.db2.gz ONFOTELXFLLCRH-GOSISDBHSA-N 1 0 339.483 3.990 50 0 EHAARO Cc1cc(O[C@@H](C)C(=O)Nc2cccc3c2C[NH2+]CC3)ccc1Cl ZINC000585088577 1136989308 /nfs/dbraw/zinc/98/93/08/1136989308.db2.gz ZRVKJPXQWHHFJX-ZDUSSCGKSA-N 1 0 344.842 3.700 50 0 EHAARO C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(C)([NH+](C)C)CC1 ZINC000585133667 1137021747 /nfs/dbraw/zinc/02/17/47/1137021747.db2.gz PYDDNLLNROWUGB-ZDUSSCGKSA-N 1 0 336.430 3.909 50 0 EHAARO CCc1nccn1CCC[NH2+]Cc1nc2ccccc2n1C(C)C ZINC000952980570 1137484736 /nfs/dbraw/zinc/48/47/36/1137484736.db2.gz XFJXXATUTQLRDM-UHFFFAOYSA-N 1 0 325.460 3.556 50 0 EHAARO COc1cc(F)ccc1C[NH2+][C@H]1CCCN(Cc2cccs2)C1 ZINC000952980760 1137484822 /nfs/dbraw/zinc/48/48/22/1137484822.db2.gz QJINNMHTBRBFQG-INIZCTEOSA-N 1 0 334.460 3.650 50 0 EHAARO CC(C)Cn1ccc2cc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000108513296 1140003205 /nfs/dbraw/zinc/00/32/05/1140003205.db2.gz MVDGSGPPHFEFFS-MRXNPFEDSA-N 1 0 342.487 3.761 50 0 EHAARO O[C@@H](C[NH+]1CCC(c2nc3ccccc3o2)CC1)c1cccc(F)c1 ZINC000051120192 214079131 /nfs/dbraw/zinc/07/91/31/214079131.db2.gz NJNMQNCQXYKNPL-SFHVURJKSA-N 1 0 340.398 3.880 50 0 EHAARO O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC([NH+]2CCCC2)CC1 ZINC000055036321 214264955 /nfs/dbraw/zinc/26/49/55/214264955.db2.gz MOYOGWXUWKOQBE-UHFFFAOYSA-N 1 0 330.516 3.680 50 0 EHAARO CC[C@H](CO)[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1C ZINC000055089124 214270622 /nfs/dbraw/zinc/27/06/22/214270622.db2.gz CBOWWXYIRHBPRJ-GOSISDBHSA-N 1 0 329.488 3.789 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000055099470 214272457 /nfs/dbraw/zinc/27/24/57/214272457.db2.gz WOYBXYRTSCNKTE-MRXNPFEDSA-N 1 0 336.435 3.868 50 0 EHAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2ccc3c(C)cc(=O)oc3c2)c1 ZINC000055099472 214272551 /nfs/dbraw/zinc/27/25/51/214272551.db2.gz WOYBXYRTSCNKTE-INIZCTEOSA-N 1 0 336.435 3.868 50 0 EHAARO COc1cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)ccc1F ZINC000055053105 214267458 /nfs/dbraw/zinc/26/74/58/214267458.db2.gz PRYSEYZLDDKNAP-OAQYLSRUSA-N 1 0 346.490 3.922 50 0 EHAARO Cc1ccc(OC[C@@H]2CCC[N@H+](Cc3nc(C)ccc3O)C2)cc1 ZINC000055152802 214278754 /nfs/dbraw/zinc/27/87/54/214278754.db2.gz FSMWTPIQWODORM-QGZVFWFLSA-N 1 0 326.440 3.695 50 0 EHAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(C)Cc2cc(C)n[nH]2)cc1 ZINC000055165877 214281785 /nfs/dbraw/zinc/28/17/85/214281785.db2.gz NQJZLRZKEOPJOC-UHFFFAOYSA-N 1 0 342.487 3.612 50 0 EHAARO CC(=O)Oc1c(C)cc(C[N@@H+](C)[C@H](C)Cc2cc(C)ccn2)cc1C ZINC000055358897 214311660 /nfs/dbraw/zinc/31/16/60/214311660.db2.gz JLJCANRTMPVOCS-QGZVFWFLSA-N 1 0 340.467 3.995 50 0 EHAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cc3c(cc2Cl)OCO3)c1 ZINC000055401801 214318154 /nfs/dbraw/zinc/31/81/54/214318154.db2.gz WMBJQVVSFGGPAP-CYBMUJFWSA-N 1 0 332.831 3.835 50 0 EHAARO COc1cc(C[N@H+](C)Cn2cnc3ccccc32)ccc1OC(F)F ZINC000056696154 214385110 /nfs/dbraw/zinc/38/51/10/214385110.db2.gz QYBDZZQEOBZPMN-UHFFFAOYSA-N 1 0 347.365 3.736 50 0 EHAARO CC(C)OC(=O)CCCCCCCC[C@@H](O)C[NH+]1CCCCC1 ZINC000004580363 210226488 /nfs/dbraw/zinc/22/64/88/210226488.db2.gz MQCQQTZYYWJWBF-GOSISDBHSA-N 1 0 327.509 3.906 50 0 EHAARO C[NH+](C)CCN(C(=O)C1CCCCC1)c1nc2ccccc2s1 ZINC000004585277 210226494 /nfs/dbraw/zinc/22/64/94/210226494.db2.gz LSWILOOBRCRLJB-UHFFFAOYSA-N 1 0 331.485 3.771 50 0 EHAARO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000004315061 210167759 /nfs/dbraw/zinc/16/77/59/210167759.db2.gz NVSGASNIYWMOGV-UHFFFAOYSA-N 1 0 348.450 3.689 50 0 EHAARO Cc1ccccc1-c1cccc(NC(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c1 ZINC000102519455 219209243 /nfs/dbraw/zinc/20/92/43/219209243.db2.gz RWKGTNXOZIVPIJ-MZADTFQBSA-N 1 0 349.478 3.933 50 0 EHAARO Cc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000003434525 210038990 /nfs/dbraw/zinc/03/89/90/210038990.db2.gz MRJZUJQZPXPHRP-KRWDZBQOSA-N 1 0 327.428 3.937 50 0 EHAARO Cc1nc(C2=C(N)N(C3CC(C)(C)[NH2+]C(C)(C)C3)CC2=O)sc1C ZINC000102716594 219224474 /nfs/dbraw/zinc/22/44/74/219224474.db2.gz DUIXJNPAWMBOPI-UHFFFAOYSA-N 1 0 348.516 3.631 50 0 EHAARO CC[NH+](CC)[C@H]1CCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000067650341 215173654 /nfs/dbraw/zinc/17/36/54/215173654.db2.gz CTIUETYFJHESJU-KRWDZBQOSA-N 1 0 336.483 3.553 50 0 EHAARO C[NH+]1CCC(Cc2noc(-c3ccc([C@@H]4CCCO4)s3)n2)CC1 ZINC000067714053 215193055 /nfs/dbraw/zinc/19/30/55/215193055.db2.gz SQZBIKXLIUUCCJ-ZDUSSCGKSA-N 1 0 333.457 3.534 50 0 EHAARO [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3ccc(-c4ccccc4)nn3)c2O1 ZINC000067691616 215186424 /nfs/dbraw/zinc/18/64/24/215186424.db2.gz LJDLITAENUQZKS-HNNXBMFYSA-N 1 0 337.810 3.726 50 0 EHAARO Cn1ccnc1-c1ccc(Oc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000067856108 215233345 /nfs/dbraw/zinc/23/33/45/215233345.db2.gz WWMIJGQIWSVNRC-UHFFFAOYSA-N 1 0 349.438 3.655 50 0 EHAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000067947810 215256361 /nfs/dbraw/zinc/25/63/61/215256361.db2.gz CDMQEUUBRUCINH-OBHPCNEJSA-N 1 0 340.423 3.988 50 0 EHAARO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccncc1 ZINC000002631319 209879032 /nfs/dbraw/zinc/87/90/32/209879032.db2.gz PRIFZQBWUJEIKT-LPHOPBHVSA-N 1 0 342.483 3.778 50 0 EHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C)cc1 ZINC000002221663 209832923 /nfs/dbraw/zinc/83/29/23/209832923.db2.gz VIIAGDWVLDNOPX-FQEVSTJZSA-N 1 0 337.467 3.903 50 0 EHAARO CC[NH+](CC)CCOC(=O)C1c2ccccc2Oc2ccccc21 ZINC000001700406 209783798 /nfs/dbraw/zinc/78/37/98/209783798.db2.gz HIGMQFBAGGGECD-UHFFFAOYSA-N 1 0 325.408 3.809 50 0 EHAARO C[NH+](C)[C@H](CNC(=O)Nc1cccc(Cl)c1F)c1ccsc1 ZINC000040103682 213264866 /nfs/dbraw/zinc/26/48/66/213264866.db2.gz DOFIDXJGPKYWBS-CYBMUJFWSA-N 1 0 341.839 3.965 50 0 EHAARO O=C(C[NH2+]C1CCCCCC1)Nc1ccccc1Br ZINC000037387745 213142905 /nfs/dbraw/zinc/14/29/05/213142905.db2.gz WGNGZXUJUMDFCY-UHFFFAOYSA-N 1 0 325.250 3.700 50 0 EHAARO CC(C)OC[C@H](O)C[NH+](Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036102603 213067082 /nfs/dbraw/zinc/06/70/82/213067082.db2.gz AKUYONCGNFAUIP-HXUWFJFHSA-N 1 0 349.421 3.753 50 0 EHAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C)cc1 ZINC000036095300 213063928 /nfs/dbraw/zinc/06/39/28/213063928.db2.gz MXAOLYADGZBOJT-IBGZPJMESA-N 1 0 337.504 3.577 50 0 EHAARO C[NH+](C)CCC[C@@]1(O)c2ccccc2COc2ccc(Cl)cc21 ZINC000071770623 215823572 /nfs/dbraw/zinc/82/35/72/215823572.db2.gz KCBSHHSUTBTCFH-LJQANCHMSA-N 1 0 331.843 3.810 50 0 EHAARO CC(C)(C)[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000032738468 212831728 /nfs/dbraw/zinc/83/17/28/212831728.db2.gz HPYAPICZFPKOQC-SFHVURJKSA-N 1 0 330.859 3.934 50 0 EHAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000072131761 216020268 /nfs/dbraw/zinc/02/02/68/216020268.db2.gz GRKDTLKLBFFUDS-INIZCTEOSA-N 1 0 328.504 3.583 50 0 EHAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](OCc3ccccn3)C2)cc1 ZINC000072138944 216025780 /nfs/dbraw/zinc/02/57/80/216025780.db2.gz HAHOWUKDEQYWIH-KOXUSJRISA-N 1 0 338.451 3.785 50 0 EHAARO Fc1ccc(/C=C/C[NH+]2CCC(OCc3cccnc3)CC2)cc1 ZINC000072144633 216030527 /nfs/dbraw/zinc/03/05/27/216030527.db2.gz PSDYICDSLWHWNT-DUXPYHPUSA-N 1 0 326.415 3.915 50 0 EHAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4cnn(C)c4C4CC4)CC3)nc21 ZINC000072144535 216031044 /nfs/dbraw/zinc/03/10/44/216031044.db2.gz UXRLQBDWXKRBFD-UHFFFAOYSA-N 1 0 349.482 3.862 50 0 EHAARO C[NH+]1CCC(N(Cc2cccnc2)Cc2ccc(Cl)cc2F)CC1 ZINC000072147088 216033815 /nfs/dbraw/zinc/03/38/15/216033815.db2.gz AZRUTPZSGVXQKC-UHFFFAOYSA-N 1 0 347.865 3.971 50 0 EHAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(C2CCCCC2)no1 ZINC000072150622 216038441 /nfs/dbraw/zinc/03/84/41/216038441.db2.gz XEFCEHXDAYHTFA-KRWDZBQOSA-N 1 0 333.476 3.603 50 0 EHAARO Cn1ncc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1C1CC1 ZINC000072147536 216035666 /nfs/dbraw/zinc/03/56/66/216035666.db2.gz JRCRZJSCZDJKDF-OAHLLOKOSA-N 1 0 349.482 3.629 50 0 EHAARO Cc1ccc(-c2ccc(C[NH+]3CCC4(CC(=O)N(C)C4)CC3)cc2)o1 ZINC000072423787 216212721 /nfs/dbraw/zinc/21/27/21/216212721.db2.gz CKJSVUGNQFVHJK-UHFFFAOYSA-N 1 0 338.451 3.699 50 0 EHAARO C[N@H+](CCO)Cc1cc2cc3c(cc2nc1-c1cccs1)CCC3 ZINC000072457423 216242708 /nfs/dbraw/zinc/24/27/08/216242708.db2.gz JPZKCOGTGMBPAM-UHFFFAOYSA-N 1 0 338.476 3.876 50 0 EHAARO CC(C)Oc1ccc(C(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000023127950 212352708 /nfs/dbraw/zinc/35/27/08/212352708.db2.gz AHWKYLWTNKWWIO-UHFFFAOYSA-N 1 0 344.499 3.858 50 0 EHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000023128058 212351886 /nfs/dbraw/zinc/35/18/86/212351886.db2.gz OXLWDIYVKMWARC-UHFFFAOYSA-N 1 0 332.444 3.529 50 0 EHAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1cnn(-c2ccccc2Cl)c1 ZINC000215337873 241121440 /nfs/dbraw/zinc/12/14/40/241121440.db2.gz IKYDXLHPEXXHOR-OAHLLOKOSA-N 1 0 340.858 3.984 50 0 EHAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)NCC[NH+]1CCCCCC1 ZINC000215425321 241126015 /nfs/dbraw/zinc/12/60/15/241126015.db2.gz ZDLIQGKSISZLHP-UHFFFAOYSA-N 1 0 341.499 3.628 50 0 EHAARO c1nnc([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)[nH]1 ZINC000215546912 241131546 /nfs/dbraw/zinc/13/15/46/241131546.db2.gz ZFMPYIRTMIRBFL-LJQANCHMSA-N 1 0 348.450 3.763 50 0 EHAARO COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000221865849 241480865 /nfs/dbraw/zinc/48/08/65/241480865.db2.gz BBEFYVLAPSZLPP-RYGJVYDSSA-N 1 0 338.451 3.695 50 0 EHAARO C[C@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021783075 212248583 /nfs/dbraw/zinc/24/85/83/212248583.db2.gz OPZGAZGQEDUUDK-UXHICEINSA-N 1 0 345.870 3.664 50 0 EHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(OC)cc1OC ZINC000021720860 212244084 /nfs/dbraw/zinc/24/40/84/212244084.db2.gz JHKOCIPIROIISS-MRXNPFEDSA-N 1 0 330.428 3.900 50 0 EHAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000021720914 212243673 /nfs/dbraw/zinc/24/36/73/212243673.db2.gz PHSYYIBPNVYYIX-QGZVFWFLSA-N 1 0 330.428 3.900 50 0 EHAARO C[N@@H+]1C[C@H](CNC(=O)Nc2ccc(Cl)cc2)[C@H](c2cccs2)C1 ZINC000230134470 242237103 /nfs/dbraw/zinc/23/71/03/242237103.db2.gz MDTDDGVQXYLCJR-SWLSCSKDSA-N 1 0 349.887 3.868 50 0 EHAARO CC(C)Cc1nsc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)n1 ZINC000242047957 243010402 /nfs/dbraw/zinc/01/04/02/243010402.db2.gz VRNHZBVZOVJOPH-CQSZACIVSA-N 1 0 345.516 3.769 50 0 EHAARO Cc1ncc(C[NH+]2CCC(n3cc(-c4ccsc4)nn3)CC2)s1 ZINC000020601304 212151369 /nfs/dbraw/zinc/15/13/69/212151369.db2.gz ILAUCTWZYJJKTL-UHFFFAOYSA-N 1 0 345.497 3.609 50 0 EHAARO Cc1noc2ncnc(NCCC[N@H+](Cc3ccccc3)C(C)C)c12 ZINC000020575195 212148479 /nfs/dbraw/zinc/14/84/79/212148479.db2.gz RINUHZAQVMETST-UHFFFAOYSA-N 1 0 339.443 3.639 50 0 EHAARO CC(C)CCC[C@H]1C[N@@H+](C2CCN(Cc3ccccn3)CC2)CCO1 ZINC000020514783 212142226 /nfs/dbraw/zinc/14/22/26/212142226.db2.gz GKLTXNOHFDTKLW-NRFANRHFSA-N 1 0 345.531 3.573 50 0 EHAARO COc1ccc(-c2ccc(C[NH2+][C@@H]3CN4CCC3CC4)o2)cc1Cl ZINC000020477312 212135841 /nfs/dbraw/zinc/13/58/41/212135841.db2.gz BZQORBIUJOEMMG-QGZVFWFLSA-N 1 0 346.858 3.792 50 0 EHAARO COC[C@@H](C)[N@H+](Cc1ccc(F)cc1)Cc1[nH]cc(C)c(=O)c1C ZINC000253536400 244013800 /nfs/dbraw/zinc/01/38/00/244013800.db2.gz PFYDIAFXKZHYEF-CQSZACIVSA-N 1 0 332.419 3.580 50 0 EHAARO CC[NH+]1CCN(CCCOc2cccc(Oc3ccccc3)c2)CC1 ZINC000020406384 212125440 /nfs/dbraw/zinc/12/54/40/212125440.db2.gz ZWELAGMJTNSUAA-UHFFFAOYSA-N 1 0 340.467 3.885 50 0 EHAARO Fc1ccc(-c2n[nH]c3c2C[N@@H+](C2Cc4ccccc4C2)CC3)cc1 ZINC000020255243 212115097 /nfs/dbraw/zinc/11/50/97/212115097.db2.gz UEUHCXZDNKQRKA-UHFFFAOYSA-N 1 0 333.410 3.741 50 0 EHAARO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCC ZINC000019871851 212077375 /nfs/dbraw/zinc/07/73/75/212077375.db2.gz RTOSVTYUDHPKID-KRWDZBQOSA-N 1 0 349.858 3.961 50 0 EHAARO CCOc1cc(CN2CC[NH+](C3CCCCC3)CC2)ccc1OC ZINC000019831827 212072996 /nfs/dbraw/zinc/07/29/96/212072996.db2.gz GFXAGGHUXBVALP-UHFFFAOYSA-N 1 0 332.488 3.544 50 0 EHAARO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCCCC1 ZINC000019418400 212025014 /nfs/dbraw/zinc/02/50/14/212025014.db2.gz SQDJDMBKCITAOW-UHFFFAOYSA-N 1 0 334.463 3.871 50 0 EHAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1C ZINC000012432071 211380704 /nfs/dbraw/zinc/38/07/04/211380704.db2.gz XAMJTDVBOLHIDT-SFHVURJKSA-N 1 0 338.451 3.802 50 0 EHAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012434865 211380072 /nfs/dbraw/zinc/38/00/72/211380072.db2.gz ZOXITHPKYIFOSD-QGZVFWFLSA-N 1 0 326.465 3.898 50 0 EHAARO CO[C@H](C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)c1ccc(F)cc1 ZINC000090177142 217920007 /nfs/dbraw/zinc/92/00/07/217920007.db2.gz KKQCHEUQNCNGEK-SCLBCKFNSA-N 1 0 342.418 3.524 50 0 EHAARO CCn1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1C ZINC000012028603 211281964 /nfs/dbraw/zinc/28/19/64/211281964.db2.gz TYKRKATUUFGBTM-MRXNPFEDSA-N 1 0 334.414 3.566 50 0 EHAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4s3)C2)C1 ZINC000011816237 211250900 /nfs/dbraw/zinc/25/09/00/211250900.db2.gz PJGGMAGHNIDVNI-HXUWFJFHSA-N 1 0 344.524 3.836 50 0 EHAARO O=C(Nc1ccnn1C1CC[NH+](CCCC2CCCC2)CC1)C1CC1 ZINC000011873103 211261231 /nfs/dbraw/zinc/26/12/31/211261231.db2.gz OEVMIIDVUVXOPR-UHFFFAOYSA-N 1 0 344.503 3.839 50 0 EHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000011759318 211244979 /nfs/dbraw/zinc/24/49/79/211244979.db2.gz RDDKLMMJIFLMRD-IBUXMESJSA-N 1 0 334.463 3.823 50 0 EHAARO CCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)nc1 ZINC000091664717 218042771 /nfs/dbraw/zinc/04/27/71/218042771.db2.gz QPSHOFJDTURCMK-RBBKRZOGSA-N 1 0 335.495 3.740 50 0 EHAARO CCCOc1ccccc1[C@@H](C)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091858107 218077928 /nfs/dbraw/zinc/07/79/28/218077928.db2.gz UQRWIFQKKJRJPP-MRXNPFEDSA-N 1 0 330.472 3.529 50 0 EHAARO COc1ccc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010330374 211164535 /nfs/dbraw/zinc/16/45/35/211164535.db2.gz PXVMZDIDQYFLGJ-OAQYLSRUSA-N 1 0 348.446 3.881 50 0 EHAARO COc1cccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000010018054 211141281 /nfs/dbraw/zinc/14/12/81/211141281.db2.gz NODSKQRKULEUGL-KRWDZBQOSA-N 1 0 347.846 3.773 50 0 EHAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1nn(C)c3cccc(Cl)c13)C2 ZINC000095356383 218289294 /nfs/dbraw/zinc/28/92/94/218289294.db2.gz BGLHAGZBWSQSBL-LSDHHAIUSA-N 1 0 346.906 3.533 50 0 EHAARO CC(C)(C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095356810 218290959 /nfs/dbraw/zinc/29/09/59/218290959.db2.gz UDAKTDFINCIACV-LJQANCHMSA-N 1 0 344.499 3.686 50 0 EHAARO Cc1cccc(CCCNC(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)c1 ZINC000095358418 218292387 /nfs/dbraw/zinc/29/23/87/218292387.db2.gz ZATQWMUJJUCJIA-OAQYLSRUSA-N 1 0 336.479 3.825 50 0 EHAARO O=C(C1CC1)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095366821 218298799 /nfs/dbraw/zinc/29/87/99/218298799.db2.gz PCQNXXHIKCHRAX-LJQANCHMSA-N 1 0 338.495 3.657 50 0 EHAARO CC(C)c1cc(CN(C)C(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)no1 ZINC000095388590 218320594 /nfs/dbraw/zinc/32/05/94/218320594.db2.gz KCCGTVSBZNBDKO-QGZVFWFLSA-N 1 0 341.455 3.537 50 0 EHAARO c1nc(CN2CCC([NH2+]Cc3cnc(C4CCC4)s3)CC2)cs1 ZINC000095415450 218353756 /nfs/dbraw/zinc/35/37/56/218353756.db2.gz NLZYKPVBABPPEJ-UHFFFAOYSA-N 1 0 348.541 3.621 50 0 EHAARO COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c(F)c1 ZINC000095420066 218360466 /nfs/dbraw/zinc/36/04/66/218360466.db2.gz ZHARRGCETFSXKT-AWEZNQCLSA-N 1 0 329.419 3.680 50 0 EHAARO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)c(F)c1 ZINC000095420067 218360620 /nfs/dbraw/zinc/36/06/20/218360620.db2.gz ZHARRGCETFSXKT-CQSZACIVSA-N 1 0 329.419 3.680 50 0 EHAARO C[C@H](Cc1ccsc1)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000095420273 218360697 /nfs/dbraw/zinc/36/06/97/218360697.db2.gz INVGXIJKKMMNQO-CQSZACIVSA-N 1 0 346.471 3.713 50 0 EHAARO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(-n2ccnc2)cc1 ZINC000095419991 218360851 /nfs/dbraw/zinc/36/08/51/218360851.db2.gz ABURSOSQCOHTAC-KRWDZBQOSA-N 1 0 347.466 3.718 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccccc1F ZINC000095420520 218362187 /nfs/dbraw/zinc/36/21/87/218362187.db2.gz AKNKYKMZEMUXRM-MRXNPFEDSA-N 1 0 328.431 3.509 50 0 EHAARO C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)c2ccsc2S1 ZINC000095421335 218362685 /nfs/dbraw/zinc/36/26/85/218362685.db2.gz ZMIKTOOZNXCLAJ-GWCFXTLKSA-N 1 0 332.485 3.993 50 0 EHAARO CC(C)(C)C[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000095423156 218364813 /nfs/dbraw/zinc/36/48/13/218364813.db2.gz VHNLMNORUUUZMS-INIZCTEOSA-N 1 0 337.895 3.950 50 0 EHAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]CCCOCC1CCOCC1 ZINC000095423004 218365209 /nfs/dbraw/zinc/36/52/09/218365209.db2.gz FMERIARDOVAGPC-IBGZPJMESA-N 1 0 345.483 3.856 50 0 EHAARO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000095422484 218365462 /nfs/dbraw/zinc/36/54/62/218365462.db2.gz HFWBNQGZRAPEAE-YJBOKZPZSA-N 1 0 346.496 3.841 50 0 EHAARO C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000095423202 218366435 /nfs/dbraw/zinc/36/64/35/218366435.db2.gz BVVSRSJNAHRTNO-ZZTOUREISA-N 1 0 343.492 3.852 50 0 EHAARO CC[NH+](CC)C1CCN(C(=O)N[C@H](c2cccs2)C2CC2)CC1 ZINC000095953961 218461728 /nfs/dbraw/zinc/46/17/28/218461728.db2.gz ZPFKIVOUNVNVAI-KRWDZBQOSA-N 1 0 335.517 3.715 50 0 EHAARO O=C(/C=C\c1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000096912738 218898381 /nfs/dbraw/zinc/89/83/81/218898381.db2.gz MPQWNDMMDMLHPD-XFXZXTDPSA-N 1 0 338.426 3.751 50 0 EHAARO COc1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1NC(C)=O ZINC000097145904 218974375 /nfs/dbraw/zinc/97/43/75/218974375.db2.gz WFDMGIYRDQOFPE-UHFFFAOYSA-N 1 0 344.377 3.864 50 0 EHAARO C[C@H](Nc1cccc(OCc2cscn2)c1)C1CC[NH+](C)CC1 ZINC000097232291 219000775 /nfs/dbraw/zinc/00/07/75/219000775.db2.gz GXGMWSPQYHWBRQ-AWEZNQCLSA-N 1 0 331.485 3.864 50 0 EHAARO [NH3+]C[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000097334218 219012548 /nfs/dbraw/zinc/01/25/48/219012548.db2.gz HBGRYZMJYHXFEO-OAHLLOKOSA-N 1 0 325.412 3.682 50 0 EHAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]12CC[N@H+](CC1CCC1)C2 ZINC000426423098 257968688 /nfs/dbraw/zinc/96/86/88/257968688.db2.gz QXUONFKFARZUBU-HXUWFJFHSA-N 1 0 348.437 3.579 50 0 EHAARO C[C@@H](C(=O)N1CCC(OC2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000408513558 257984702 /nfs/dbraw/zinc/98/47/02/257984702.db2.gz GPWSWKHNXRSPFY-OXQOHEQNSA-N 1 0 344.499 3.663 50 0 EHAARO CCOC(C)(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299776440 258086830 /nfs/dbraw/zinc/08/68/30/258086830.db2.gz BQKPBWYDSPBCTA-GOSISDBHSA-N 1 0 332.488 3.535 50 0 EHAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cccc(-c2cccc(Cl)c2)c1 ZINC000299760050 258077353 /nfs/dbraw/zinc/07/73/53/258077353.db2.gz QCOJXLSTHNVJKK-GOSISDBHSA-N 1 0 328.843 3.960 50 0 EHAARO C[C@H](NC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccc(Cl)cc1Cl ZINC000129296184 533607393 /nfs/dbraw/zinc/60/73/93/533607393.db2.gz RVEUVKUYIXDYIB-NWDGAFQWSA-N 1 0 344.286 3.648 50 0 EHAARO C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000241287502 525413739 /nfs/dbraw/zinc/41/37/39/525413739.db2.gz LLZCFVYVWFMQID-DBVUQKKJSA-N 1 0 331.456 3.594 50 0 EHAARO C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@]1(c2ccccc2)CCOC1 ZINC000215463323 536475359 /nfs/dbraw/zinc/47/53/59/536475359.db2.gz AFRHSVYRYZQTEI-QFIPXVFZSA-N 1 0 347.462 3.662 50 0 EHAARO Cc1sc2ncnc(N3CC[NH+](C)CC3)c2c1-c1ccc(F)cc1 ZINC000000038125 526900427 /nfs/dbraw/zinc/90/04/27/526900427.db2.gz CZEGICDRDGUTHV-UHFFFAOYSA-N 1 0 342.443 3.558 50 0 EHAARO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1sccc1Br ZINC000185057890 564072414 /nfs/dbraw/zinc/07/24/14/564072414.db2.gz QZYTZUYZLXJCSS-KOLCDFICSA-N 1 0 330.247 3.705 50 0 EHAARO FCCCOc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000004050796 563492865 /nfs/dbraw/zinc/49/28/65/563492865.db2.gz RRMQBTUNVZANGY-UHFFFAOYSA-N 1 0 328.431 3.747 50 0 EHAARO CC(C)CCOc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000006664415 563577014 /nfs/dbraw/zinc/57/70/14/563577014.db2.gz UWNYVEWKSVPIGI-SFHVURJKSA-N 1 0 349.438 3.748 50 0 EHAARO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1cccc(Cl)c1 ZINC000006883148 563590576 /nfs/dbraw/zinc/59/05/76/563590576.db2.gz ANTAIAAUNCLMDR-UHFFFAOYSA-N 1 0 349.858 3.788 50 0 EHAARO CC(C)c1nccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000071911967 563591325 /nfs/dbraw/zinc/59/13/25/563591325.db2.gz DBMSRLSVPATPFC-MRXNPFEDSA-N 1 0 337.471 3.558 50 0 EHAARO O=C(NCC1CCCCC1)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000064818054 563697759 /nfs/dbraw/zinc/69/77/59/563697759.db2.gz KTNSKFBHBOSOCP-UHFFFAOYSA-N 1 0 330.447 3.654 50 0 EHAARO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000032779400 563732804 /nfs/dbraw/zinc/73/28/04/563732804.db2.gz QNZCMYGMCGITDS-MRXNPFEDSA-N 1 0 341.455 3.613 50 0 EHAARO Cn1cccc1[C@H]1CCC[N@@H+]1[C@@H](C(=O)N1CCCC1)c1ccccc1 ZINC000014070435 563737727 /nfs/dbraw/zinc/73/77/27/563737727.db2.gz AYWSYBGARSBCCX-WOJBJXKFSA-N 1 0 337.467 3.526 50 0 EHAARO Cc1nc2sc3c(c2c(NC2CC[NH+](C4CC4)CC2)n1)CCC3 ZINC000014142069 563745204 /nfs/dbraw/zinc/74/52/04/563745204.db2.gz SRGRLUAFXPPHJF-UHFFFAOYSA-N 1 0 328.485 3.527 50 0 EHAARO Cc1cccc(-n2ncc3c2CCC[C@H]3[NH2+]C2CCOCC2)c1C ZINC000014975049 563769579 /nfs/dbraw/zinc/76/95/79/563769579.db2.gz SKEDHBVLZFNHJC-GOSISDBHSA-N 1 0 325.456 3.635 50 0 EHAARO O=C(c1ccccc1OC1CC[NH+](C2CCC2)CC1)N1CCCCC1 ZINC000015066176 563775058 /nfs/dbraw/zinc/77/50/58/563775058.db2.gz VUMRKOIDFCOEKJ-UHFFFAOYSA-N 1 0 342.483 3.708 50 0 EHAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000032888401 563779967 /nfs/dbraw/zinc/77/99/67/563779967.db2.gz ALVJKGPQDPUMAL-UHFFFAOYSA-N 1 0 337.419 3.553 50 0 EHAARO COc1ccccc1[C@@H](CNC(=O)C1CCCCC1)[NH+]1CCCC1 ZINC000023985218 563867858 /nfs/dbraw/zinc/86/78/58/563867858.db2.gz RMCMNJGXHSPQBI-GOSISDBHSA-N 1 0 330.472 3.529 50 0 EHAARO CC(C)C(=O)Nc1cccc(C[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000025063104 563880507 /nfs/dbraw/zinc/88/05/07/563880507.db2.gz HFHMVEPLQDTFBU-UHFFFAOYSA-N 1 0 348.450 3.757 50 0 EHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1ccccc1F ZINC000027580639 563896895 /nfs/dbraw/zinc/89/68/95/563896895.db2.gz YACMDFJWOYUZKV-INIZCTEOSA-N 1 0 332.444 3.844 50 0 EHAARO COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000027749423 563899494 /nfs/dbraw/zinc/89/94/94/563899494.db2.gz HPFJSOVPLJKARQ-IBGZPJMESA-N 1 0 338.451 3.571 50 0 biogenic EHAARO CC1CC[NH+](CCCNC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000028068860 563901417 /nfs/dbraw/zinc/90/14/17/563901417.db2.gz SWNVLTAKCUNPQE-UHFFFAOYSA-N 1 0 347.261 3.984 50 0 EHAARO Clc1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1Cl ZINC000030900747 563911641 /nfs/dbraw/zinc/91/16/41/563911641.db2.gz KDCWVUWLHZFJBH-UHFFFAOYSA-N 1 0 347.249 3.923 50 0 EHAARO COc1ccccc1C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000004725441 563918929 /nfs/dbraw/zinc/91/89/29/563918929.db2.gz FGGJLBHQYKLXNR-UHFFFAOYSA-N 1 0 344.499 3.746 50 0 EHAARO C[C@H]1Cc2ccccc2N1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044912963 563928288 /nfs/dbraw/zinc/92/82/88/563928288.db2.gz KBAUWOOJGBSORL-KRWDZBQOSA-N 1 0 334.463 3.876 50 0 EHAARO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000058370742 563944038 /nfs/dbraw/zinc/94/40/38/563944038.db2.gz WHMYPPHHQCUUCL-HZPDHXFCSA-N 1 0 334.504 3.598 50 0 EHAARO CC[N@H+](Cc1ccc(C(=O)NCc2csc(C)n2)cc1)C(C)C ZINC000058379738 563944353 /nfs/dbraw/zinc/94/43/53/563944353.db2.gz MFFTZLVRFDFEPQ-UHFFFAOYSA-N 1 0 331.485 3.612 50 0 EHAARO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058392515 563944656 /nfs/dbraw/zinc/94/46/56/563944656.db2.gz FJVFQUWQMUMZGC-MRXNPFEDSA-N 1 0 339.483 3.748 50 0 EHAARO C[NH+](C)CCN(C(=O)c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000058441254 563946574 /nfs/dbraw/zinc/94/65/74/563946574.db2.gz PBKUEAOOHGJDEV-UHFFFAOYSA-N 1 0 335.407 3.550 50 0 EHAARO CC(C)N(C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000096455041 563953868 /nfs/dbraw/zinc/95/38/68/563953868.db2.gz HQYQDENXKCGIJX-HNNXBMFYSA-N 1 0 335.517 3.543 50 0 EHAARO CC[C@@H](CO)[N@H+](Cc1cccs1)Cc1c(C)cc(C)c(CO)c1C ZINC000063881641 563956333 /nfs/dbraw/zinc/95/63/33/563956333.db2.gz CQNYDZWHLDKKHE-KRWDZBQOSA-N 1 0 347.524 3.939 50 0 EHAARO COc1cccc2c1OCC(C[N@@H+]1CCC[C@H]1c1c(C)noc1C)=C2 ZINC000065386469 563959269 /nfs/dbraw/zinc/95/92/69/563959269.db2.gz WLISTCUVYZHPGL-KRWDZBQOSA-N 1 0 340.423 3.913 50 0 EHAARO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1[C@H](C)n1cnc2ccccc21 ZINC000065420968 563960580 /nfs/dbraw/zinc/96/05/80/563960580.db2.gz SHWSUAWCEDPPOI-AWEZNQCLSA-N 1 0 344.422 3.807 50 0 EHAARO CCCCc1nc(-c2c(-c3ccccc3)ncn2[C@@H]2CC[NH2+]C2)c[nH]1 ZINC000065420502 563960604 /nfs/dbraw/zinc/96/06/04/563960604.db2.gz RTLDOKRXXUOUMI-MRXNPFEDSA-N 1 0 335.455 3.817 50 0 EHAARO COCc1ncc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)cn1 ZINC000071753180 563965228 /nfs/dbraw/zinc/96/52/28/563965228.db2.gz ZFFIXSXLQAXUPB-MRXNPFEDSA-N 1 0 343.446 3.607 50 0 EHAARO O=S(=O)(c1ccccc1)c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000071763068 563965407 /nfs/dbraw/zinc/96/54/07/563965407.db2.gz CNOSYKUMQSHESO-UHFFFAOYSA-N 1 0 349.455 3.832 50 0 EHAARO CC(C)[C@@H]1C[N@H+](Cc2ccco2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071763341 563965425 /nfs/dbraw/zinc/96/54/25/563965425.db2.gz TZNCANSBKKTGFX-IBGZPJMESA-N 1 0 344.430 3.678 50 0 EHAARO Clc1cccc(N2CCCC2)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000097033878 563966870 /nfs/dbraw/zinc/96/68/70/563966870.db2.gz KPMNYGJSQTVJNO-UHFFFAOYSA-N 1 0 344.890 3.974 50 0 EHAARO CCn1cnnc1C1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000097086000 563967353 /nfs/dbraw/zinc/96/73/53/563967353.db2.gz XYJADCGMHZDTPY-UHFFFAOYSA-N 1 0 335.455 3.847 50 0 EHAARO CC(C)OCc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000097159622 563968323 /nfs/dbraw/zinc/96/83/23/563968323.db2.gz OMZMKYPOWKCWOQ-UHFFFAOYSA-N 1 0 336.439 3.687 50 0 EHAARO Cc1nc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000077339627 563969018 /nfs/dbraw/zinc/96/90/18/563969018.db2.gz QNNPNRYSQYURPO-GOSISDBHSA-N 1 0 343.496 3.881 50 0 EHAARO COCCC[C@@H]1CCC[N@H+](Cc2cnn(-c3cccc(C)c3)c2)C1 ZINC000077488694 563969974 /nfs/dbraw/zinc/96/99/74/563969974.db2.gz CVHRZRGYQDJBCF-SFHVURJKSA-N 1 0 327.472 3.819 50 0 EHAARO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCN2CCCC2=O)c(C)c1F ZINC000077539144 563970263 /nfs/dbraw/zinc/97/02/63/563970263.db2.gz QWPYRSHKZDLDQG-GOSISDBHSA-N 1 0 332.463 3.810 50 0 EHAARO CCn1ccc2cc(C(=O)N[C@H](Cn3ccnc3)C(C)(C)C)ccc21 ZINC000097642250 563981761 /nfs/dbraw/zinc/98/17/61/563981761.db2.gz QHWNOGZBKPZCNW-GOSISDBHSA-N 1 0 338.455 3.702 50 0 EHAARO Cc1ccc(-c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)c(F)c2)cc1C ZINC000178552821 563986169 /nfs/dbraw/zinc/98/61/69/563986169.db2.gz YIRBFGWLHJZFIX-OAHLLOKOSA-N 1 0 326.415 3.530 50 0 EHAARO COc1ccc(C(=O)CC[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1OC ZINC000000187912 563987993 /nfs/dbraw/zinc/98/79/93/563987993.db2.gz LUVSHTKOFJYPMP-GOSISDBHSA-N 1 0 339.435 3.766 50 0 biogenic EHAARO C[C@@H](c1cccnc1)N(CC[NH+](C)C)C(=S)Nc1ccccc1F ZINC000000262061 563989722 /nfs/dbraw/zinc/98/97/22/563989722.db2.gz JPBPJUPPIIDZLM-AWEZNQCLSA-N 1 0 346.475 3.542 50 0 EHAARO COc1ccc(OC)c2c1C[N@@H+]([C@H]1CCCc3ccccc31)C[C@H]2O ZINC000247888156 563991424 /nfs/dbraw/zinc/99/14/24/563991424.db2.gz LTTAMEKSNPHXFV-ZWKOTPCHSA-N 1 0 339.435 3.630 50 0 EHAARO c1ccc(-c2nc(SC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)n[nH]2)cc1 ZINC000033435712 563992119 /nfs/dbraw/zinc/99/21/19/563992119.db2.gz LVRKTHCBVHLACO-HOTGVXAUSA-N 1 0 328.485 3.828 50 0 EHAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(F)cc1OC(F)F ZINC000248132010 563995273 /nfs/dbraw/zinc/99/52/73/563995273.db2.gz OOMBUQBYMLYFEH-JQWOWJDXSA-N 1 0 329.362 3.891 50 0 EHAARO Cc1csc(C(C)(C)[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000072662960 563997592 /nfs/dbraw/zinc/99/75/92/563997592.db2.gz LIQALFBGPBFMPH-ZDUSSCGKSA-N 1 0 339.505 3.533 50 0 EHAARO CC[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc2[nH]ccc2c1 ZINC000252486412 563997760 /nfs/dbraw/zinc/99/77/60/563997760.db2.gz HLBHJQCEFPKWOT-UHFFFAOYSA-N 1 0 325.387 3.768 50 0 EHAARO C[C@H]1C[C@H](Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC[N@@H+]1C ZINC000182863347 564001276 /nfs/dbraw/zinc/00/12/76/564001276.db2.gz WOAVPRXAFSJWMU-QFBILLFUSA-N 1 0 344.503 3.989 50 0 EHAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCCCCC1 ZINC000008132509 564016072 /nfs/dbraw/zinc/01/60/72/564016072.db2.gz CDTHIWPUENVKLY-HXUWFJFHSA-N 1 0 325.452 3.969 50 0 EHAARO CCc1cc2c(ncnc2N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000000501205 564019025 /nfs/dbraw/zinc/01/90/25/564019025.db2.gz VLJOGDYASRXPSM-UHFFFAOYSA-N 1 0 330.501 3.708 50 0 EHAARO Cc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000105870591 564025328 /nfs/dbraw/zinc/02/53/28/564025328.db2.gz PPUJVWBPSGBIEB-QZTJIDSGSA-N 1 0 340.467 3.572 50 0 EHAARO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047324871 564026096 /nfs/dbraw/zinc/02/60/96/564026096.db2.gz DXQJGQBMXHFBGE-UHFFFAOYSA-N 1 0 344.846 3.521 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000047415955 564026292 /nfs/dbraw/zinc/02/62/92/564026292.db2.gz GNKVIIGQAFQYJY-IRXDYDNUSA-N 1 0 341.499 3.585 50 0 EHAARO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000106532008 564026442 /nfs/dbraw/zinc/02/64/42/564026442.db2.gz WHMYPPHHQCUUCL-CVEARBPZSA-N 1 0 334.504 3.598 50 0 EHAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(F)cc2F)cn1 ZINC000107322474 564026842 /nfs/dbraw/zinc/02/68/42/564026842.db2.gz MNJBLLBNCYASMK-FHSNZYRGSA-N 1 0 335.398 3.610 50 0 EHAARO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@H](C)C3CCCC3)[C@@H](C)C2)s1 ZINC000108096219 564027714 /nfs/dbraw/zinc/02/77/14/564027714.db2.gz MRTTXROIICQFIL-IYOUNJFTSA-N 1 0 349.544 3.604 50 0 EHAARO C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cccs1 ZINC000108113683 564027793 /nfs/dbraw/zinc/02/77/93/564027793.db2.gz XJZVPKOTIVVMQM-HZPDHXFCSA-N 1 0 330.497 3.820 50 0 EHAARO COc1ccc([C@H](O)[C@H](C)[NH2+]C[C@H](C)CCc2ccccc2)cc1 ZINC000108167147 564027935 /nfs/dbraw/zinc/02/79/35/564027935.db2.gz IGRHVBKHDHJSGM-LLGFUMIMSA-N 1 0 327.468 3.976 50 0 EHAARO Cc1cccc(C[NH+]2CCC(NC(=O)N3CCc4ccccc43)CC2)c1 ZINC000045743633 564028632 /nfs/dbraw/zinc/02/86/32/564028632.db2.gz FUFIIPZEHSRCFX-UHFFFAOYSA-N 1 0 349.478 3.732 50 0 EHAARO FC(F)(F)Oc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000048040738 564029850 /nfs/dbraw/zinc/02/98/50/564029850.db2.gz KDQNBFIFFQXOQZ-UHFFFAOYSA-N 1 0 348.328 3.660 50 0 EHAARO Cc1nn(C)c2nc(Cl)c(C[NH2+]CC3(c4ccccc4)CC3)cc12 ZINC000048278655 564030649 /nfs/dbraw/zinc/03/06/49/564030649.db2.gz MWAHZBZNVREXMI-UHFFFAOYSA-N 1 0 340.858 3.752 50 0 EHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000048332824 564031070 /nfs/dbraw/zinc/03/10/70/564031070.db2.gz GXVSHDRZSQBQFE-STQMWFEESA-N 1 0 326.843 3.577 50 0 EHAARO C[NH+](C)C[C@H](NC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000048332167 564031157 /nfs/dbraw/zinc/03/11/57/564031157.db2.gz PCIQLWHHEKIWNU-INIZCTEOSA-N 1 0 349.381 3.712 50 0 EHAARO c1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)co1 ZINC000048815642 564032240 /nfs/dbraw/zinc/03/22/40/564032240.db2.gz IUPZHWDPIQIOIN-UHFFFAOYSA-N 1 0 344.418 3.876 50 0 EHAARO Cc1ccc2[nH]c([C@H](C)NC(=O)CCC[NH+]3CCCCCC3)nc2c1 ZINC000221334390 564036167 /nfs/dbraw/zinc/03/61/67/564036167.db2.gz GXZKTYAFUYWPLV-INIZCTEOSA-N 1 0 342.487 3.705 50 0 EHAARO Cc1[nH]c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2c1C ZINC000024631228 564036571 /nfs/dbraw/zinc/03/65/71/564036571.db2.gz TYYOMDGLRQVPAL-QGZVFWFLSA-N 1 0 341.480 3.879 50 0 EHAARO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)[C@@H]1COc2ccccc21 ZINC000222113288 564036729 /nfs/dbraw/zinc/03/67/29/564036729.db2.gz UAKSUFWQJPDQSL-DFCFNEJHSA-N 1 0 329.465 3.639 50 0 EHAARO COc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)nc(OC)n1 ZINC000534640158 564061411 /nfs/dbraw/zinc/06/14/11/564061411.db2.gz ZLSNEZRWCIRTEH-AWEZNQCLSA-N 1 0 327.428 3.708 50 0 EHAARO C=C1[NH+]=C(NC)S[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OC ZINC000001410012 564065338 /nfs/dbraw/zinc/06/53/38/564065338.db2.gz BTVXNLWKVHBBCM-LBPRGKRZSA-N 1 0 345.251 3.804 50 0 EHAARO Cc1cc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@H](C)CC2)no1 ZINC000084119830 564066763 /nfs/dbraw/zinc/06/67/63/564066763.db2.gz PIMXOBBSCTZDSA-KBXCAEBGSA-N 1 0 327.428 3.785 50 0 EHAARO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000248436697 564067094 /nfs/dbraw/zinc/06/70/94/564067094.db2.gz GLMGOLARIGOMTN-FOIQADDNSA-N 1 0 344.886 3.757 50 0 EHAARO c1[nH]c2ccccc2c1-c1nnc(SCC[NH+]2CCCCC2)o1 ZINC000084590775 564068859 /nfs/dbraw/zinc/06/88/59/564068859.db2.gz BKKIGOUCWJYPKN-UHFFFAOYSA-N 1 0 328.441 3.796 50 0 EHAARO c1cnn(-c2ccccc2C[NH2+]C[C@H]2CCO[C@H]2c2ccccc2)c1 ZINC000084665073 564069499 /nfs/dbraw/zinc/06/94/99/564069499.db2.gz VQMFBPZSASFLCE-CTNGQTDRSA-N 1 0 333.435 3.740 50 0 EHAARO C[C@@H]1CCc2[nH]c3c(cccc3C(=O)NCCC[NH+]3CCCC3)c2C1 ZINC000084700168 564069695 /nfs/dbraw/zinc/06/96/95/564069695.db2.gz WPVVWDQMAMJDTP-OAHLLOKOSA-N 1 0 339.483 3.508 50 0 EHAARO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccccc1-n1cccn1 ZINC000075094258 564079947 /nfs/dbraw/zinc/07/99/47/564079947.db2.gz SBRJPLSQVBOHKZ-INIZCTEOSA-N 1 0 331.423 3.573 50 0 EHAARO C[NH+](C)CC1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)CC1 ZINC000075143232 564080661 /nfs/dbraw/zinc/08/06/61/564080661.db2.gz XFPFISSMEKPQJD-QGZVFWFLSA-N 1 0 341.499 3.759 50 0 EHAARO COc1cc(C[NH2+]Cc2ccc(-n3cccn3)cc2)ccc1SC ZINC000063914567 564083164 /nfs/dbraw/zinc/08/31/64/564083164.db2.gz BDZWHMMOZUGBRH-UHFFFAOYSA-N 1 0 339.464 3.893 50 0 EHAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cccs1)c1cc2ccccc2o1 ZINC000575620315 564083853 /nfs/dbraw/zinc/08/38/53/564083853.db2.gz JKXSKQWBGJGSEE-SCOAYWHSSA-N 1 0 340.448 3.927 50 0 EHAARO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2)C12CCCCC2 ZINC000225394079 564084320 /nfs/dbraw/zinc/08/43/20/564084320.db2.gz JGAJRZVBPQLPCG-KBAYOESNSA-N 1 0 330.472 3.731 50 0 EHAARO O[C@@H](COCc1ccccc1)C[N@@H+]1CCc2sccc2[C@H]1C1CC1 ZINC000241383260 564088313 /nfs/dbraw/zinc/08/83/13/564088313.db2.gz MTSHBMUYWLEZSD-YLJYHZDGSA-N 1 0 343.492 3.635 50 0 EHAARO CS[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1[NH+](C)C ZINC000089314099 564089623 /nfs/dbraw/zinc/08/96/23/564089623.db2.gz RLDNKEMOGWCJJY-CHWSQXEVSA-N 1 0 348.299 3.503 50 0 EHAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000075584151 564089665 /nfs/dbraw/zinc/08/96/65/564089665.db2.gz MBSZAEJUOJTEJC-INIZCTEOSA-N 1 0 341.455 3.577 50 0 EHAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000089520850 564091484 /nfs/dbraw/zinc/09/14/84/564091484.db2.gz WEILZUWHHQONEO-CQSZACIVSA-N 1 0 338.430 3.933 50 0 EHAARO CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000064590827 564092591 /nfs/dbraw/zinc/09/25/91/564092591.db2.gz CQQYQHTVZHZGNF-UHFFFAOYSA-N 1 0 339.414 3.554 50 0 EHAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(F)c(Cl)c3)[C@H]2C1 ZINC000426396356 564093574 /nfs/dbraw/zinc/09/35/74/564093574.db2.gz FLLHWPFXZFFLOL-XOKHGSTOSA-N 1 0 327.827 3.638 50 0 EHAARO CCc1oc(C(N)=O)cc1C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000426383780 564093535 /nfs/dbraw/zinc/09/35/35/564093535.db2.gz IUWYSGXRDBNOHI-MRXNPFEDSA-N 1 0 326.440 3.567 50 0 EHAARO C[C@@H](c1cccc(-c2ccc(-c3nccn3C)nn2)c1)[NH+]1CCCC1 ZINC000426544787 564094054 /nfs/dbraw/zinc/09/40/54/564094054.db2.gz LRZKRYGOLLKPDS-HNNXBMFYSA-N 1 0 333.439 3.701 50 0 EHAARO CCc1cc(Cl)ccc1NC(=O)N[C@H](c1nccn1C)C1CC1 ZINC000426674371 564094338 /nfs/dbraw/zinc/09/43/38/564094338.db2.gz YOYDBAHLUQBWBT-HNNXBMFYSA-N 1 0 332.835 3.909 50 0 EHAARO Cc1ccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C(C)C)s1 ZINC000036101196 564096119 /nfs/dbraw/zinc/09/61/19/564096119.db2.gz ILLZTPUWOSTGKM-GOSISDBHSA-N 1 0 333.497 3.845 50 0 EHAARO C[N@H+](CCNC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000064805019 564096358 /nfs/dbraw/zinc/09/63/58/564096358.db2.gz MHUFLYGJFYSENX-UHFFFAOYSA-N 1 0 332.447 3.631 50 0 EHAARO CC1(C)CCC[N@@H+]1CCC(C(N)=O)(c1ccccc1)c1ccccc1 ZINC000001843264 564099190 /nfs/dbraw/zinc/09/91/90/564099190.db2.gz FMYSIVPIFATHGN-UHFFFAOYSA-N 1 0 336.479 3.723 50 0 EHAARO CCOCCC[N@@H+]1Cc2ccc(NC(=O)C[C@H]3C=CCC3)cc2C1 ZINC000065490526 564106393 /nfs/dbraw/zinc/10/63/93/564106393.db2.gz NEMPZZSUXCBSPG-INIZCTEOSA-N 1 0 328.456 3.724 50 0 EHAARO CC(=O)N1CCC([NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000037138401 564108454 /nfs/dbraw/zinc/10/84/54/564108454.db2.gz PKKREIZYVORADP-SECBINFHSA-N 1 0 333.234 3.794 50 0 EHAARO C[C@@H]1CCC[C@H](CC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000170608313 564109706 /nfs/dbraw/zinc/10/97/06/564109706.db2.gz RKPTXYMUJQEMHJ-SJORKVTESA-N 1 0 338.561 3.681 50 0 EHAARO COc1ccc([C@@H](CNC(=O)C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000014119309 564112211 /nfs/dbraw/zinc/11/22/11/564112211.db2.gz ALRSFTSIEKZFDW-LJQANCHMSA-N 1 0 330.472 3.529 50 0 EHAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000237518436 564117778 /nfs/dbraw/zinc/11/77/78/564117778.db2.gz GKMISEYKBZRDSK-FZMZJTMJSA-N 1 0 343.858 3.717 50 0 EHAARO C[C@]12CC3CC(C(=O)N[C@H]4CC[N@@H+]5CCC[C@H]5C4)(C1)C[C@@](C)(C3)C2 ZINC000252512644 564120173 /nfs/dbraw/zinc/12/01/73/564120173.db2.gz UDAXJCVJNFABGB-MAWWAHAJSA-N 1 0 330.516 3.726 50 0 EHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1Br ZINC000007777006 564123027 /nfs/dbraw/zinc/12/30/27/564123027.db2.gz AMYLBNRQWQJYON-XHDPSFHLSA-N 1 0 339.277 3.864 50 0 EHAARO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3cccnc32)C[C@H]1C ZINC000252676106 564124847 /nfs/dbraw/zinc/12/48/47/564124847.db2.gz VZOPXZFACAUSQX-ZBFHGGJFSA-N 1 0 326.444 3.571 50 0 EHAARO CCc1noc(C2CCC([NH2+]Cc3ccc4c(n3)CCCC4)CC2)n1 ZINC000253425233 564131093 /nfs/dbraw/zinc/13/10/93/564131093.db2.gz BWNWSVKJAYZTEW-UHFFFAOYSA-N 1 0 340.471 3.722 50 0 EHAARO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000253428007 564131222 /nfs/dbraw/zinc/13/12/22/564131222.db2.gz OOUFEHCUQSZZLY-CYBMUJFWSA-N 1 0 345.361 3.750 50 0 EHAARO C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C[NH2+]CCO ZINC000253501251 564132861 /nfs/dbraw/zinc/13/28/61/564132861.db2.gz GLWKVBMAXIHLJD-USGDIRTKSA-N 1 0 349.559 3.732 50 0 EHAARO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc(C)c1OCc1ccccn1 ZINC000078724922 564136946 /nfs/dbraw/zinc/13/69/46/564136946.db2.gz WTFMVPZQWRASQP-UXHICEINSA-N 1 0 340.467 3.671 50 0 EHAARO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)cc(C)c1OCc1ccccn1 ZINC000078724926 564136990 /nfs/dbraw/zinc/13/69/90/564136990.db2.gz WTFMVPZQWRASQP-WOJBJXKFSA-N 1 0 340.467 3.671 50 0 EHAARO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2cnc(C(C)(C)C)s2)cn1 ZINC000078880641 564137335 /nfs/dbraw/zinc/13/73/35/564137335.db2.gz XDAYBLNKSRKOJE-CJNGLKHVSA-N 1 0 348.516 3.524 50 0 EHAARO FC(F)(F)c1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000278712207 564138696 /nfs/dbraw/zinc/13/86/96/564138696.db2.gz OSUQEXHDNOFSJR-CYBMUJFWSA-N 1 0 349.360 3.684 50 0 EHAARO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccc4cc[nH]c4c3)CC2)c1C ZINC000020287249 564139140 /nfs/dbraw/zinc/13/91/40/564139140.db2.gz ISZGRWBIURFVCG-QFIPXVFZSA-N 1 0 349.478 3.640 50 0 EHAARO CC[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000095458777 564140700 /nfs/dbraw/zinc/14/07/00/564140700.db2.gz MEHDWLJEVIPAEJ-DLBZAZTESA-N 1 0 344.503 3.542 50 0 EHAARO Cc1nc(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000095459925 564140741 /nfs/dbraw/zinc/14/07/41/564140741.db2.gz QUSCJZJFPDAVNL-UHFFFAOYSA-N 1 0 335.904 3.860 50 0 EHAARO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cccnc2)CCO1 ZINC000095465782 564141008 /nfs/dbraw/zinc/14/10/08/564141008.db2.gz XOGHFBFSVMGSHM-RTBURBONSA-N 1 0 342.487 3.556 50 0 EHAARO c1ccn2c(c1)nnc2C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000095958656 564142609 /nfs/dbraw/zinc/14/26/09/564142609.db2.gz RRPPUVUMGWDGFS-LJQANCHMSA-N 1 0 332.451 3.986 50 0 EHAARO COc1ccc([C@H](C)[NH2+]CCc2sc(C)nc2C)cc1NC(C)=O ZINC000095967835 564143096 /nfs/dbraw/zinc/14/30/96/564143096.db2.gz FDFHDKWQYUGZJI-NSHDSACASA-N 1 0 347.484 3.620 50 0 EHAARO COc1ccc([C@@H]2[C@@H](CN[C@@H](C)c3ccc(F)cn3)CC[N@@H+]2C)cc1 ZINC000095983383 564143805 /nfs/dbraw/zinc/14/38/05/564143805.db2.gz UEJVSQZGWMLIJN-YYFZDKIDSA-N 1 0 343.446 3.573 50 0 EHAARO COc1ccc(CCC[NH2+]CC2([C@@H](O)c3ccccc3)CC2)cc1F ZINC000096013629 564144839 /nfs/dbraw/zinc/14/48/39/564144839.db2.gz ONMSZBGTODMLPJ-FQEVSTJZSA-N 1 0 343.442 3.870 50 0 EHAARO c1ccc(O[C@H](C[NH+]2CCC3(CC2)OCCO3)c2ccccc2)cc1 ZINC000096027160 564144997 /nfs/dbraw/zinc/14/49/97/564144997.db2.gz YJLZPVREJZWXBF-HXUWFJFHSA-N 1 0 339.435 3.646 50 0 EHAARO O=C(CC[NH+]1CCC(Oc2ccccc2)CC1)c1ccc(F)cc1 ZINC000096027207 564145004 /nfs/dbraw/zinc/14/50/04/564145004.db2.gz TZQTUOQAPRMZDY-UHFFFAOYSA-N 1 0 327.399 3.942 50 0 EHAARO CC(C)NC(=O)c1cccc(C[NH2+]Cc2cnc(C3CCC3)s2)c1 ZINC000096473060 564148391 /nfs/dbraw/zinc/14/83/91/564148391.db2.gz NJTSOZPFNFZBOU-UHFFFAOYSA-N 1 0 343.496 3.839 50 0 EHAARO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000096476413 564148402 /nfs/dbraw/zinc/14/84/02/564148402.db2.gz YIXVOPFFROGIKW-XACMVJRISA-N 1 0 347.480 3.853 50 0 EHAARO C[C@@H]([NH2+]CCc1cccc2cccnc21)c1ccc([S@](C)=O)cc1 ZINC000096476551 564148450 /nfs/dbraw/zinc/14/84/50/564148450.db2.gz AUEKNSMGMXJVRH-OYLFLEFRSA-N 1 0 338.476 3.866 50 0 EHAARO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000097221984 564149521 /nfs/dbraw/zinc/14/95/21/564149521.db2.gz TXIRVTORMWXGEM-CQSZACIVSA-N 1 0 344.484 3.806 50 0 EHAARO CC(C)OCCC[NH2+]CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000002649456 564151879 /nfs/dbraw/zinc/15/18/79/564151879.db2.gz CPVKSBRWHPDVFW-UHFFFAOYSA-N 1 0 340.467 3.621 50 0 EHAARO CCc1c2ccccc2[nH]c1C(=O)NCCCn1ccnc1C(C)C ZINC000670459264 564160940 /nfs/dbraw/zinc/16/09/40/564160940.db2.gz YJIBITYBBRYBGU-UHFFFAOYSA-N 1 0 338.455 3.870 50 0 EHAARO C[C@H](C(=O)NCc1ccccc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008226128 564163617 /nfs/dbraw/zinc/16/36/17/564163617.db2.gz ZLQXSIFBYWUPLO-QGZVFWFLSA-N 1 0 332.447 3.977 50 0 EHAARO Brc1cccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000008328838 564164502 /nfs/dbraw/zinc/16/45/02/564164502.db2.gz UABVKWVXZLZYFB-BETUJISGSA-N 1 0 325.275 3.953 50 0 EHAARO C[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000008391001 564164982 /nfs/dbraw/zinc/16/49/82/564164982.db2.gz YHQWRTBPBBUTIO-KRWDZBQOSA-N 1 0 337.467 3.571 50 0 EHAARO CCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008714121 564166633 /nfs/dbraw/zinc/16/66/33/564166633.db2.gz MDDWUNBJBGLSON-UHFFFAOYSA-N 1 0 342.439 3.802 50 0 EHAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1cccc(OC(F)F)c1 ZINC000040120515 564168204 /nfs/dbraw/zinc/16/82/04/564168204.db2.gz WYSLQDVLLGWDTP-UHFFFAOYSA-N 1 0 349.381 3.671 50 0 EHAARO Cc1ccc([C@H](C)NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000040120674 564168234 /nfs/dbraw/zinc/16/82/34/564168234.db2.gz LWSVIIJUDTXURZ-LSDHHAIUSA-N 1 0 347.484 3.847 50 0 EHAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(OC2CCCC2)cc1 ZINC000040120618 564168260 /nfs/dbraw/zinc/16/82/60/564168260.db2.gz PMIDZLIUAZBKDN-UHFFFAOYSA-N 1 0 331.460 3.615 50 0 EHAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000069462580 564169779 /nfs/dbraw/zinc/16/97/79/564169779.db2.gz USWXNVGUJXCFDV-UHFFFAOYSA-N 1 0 345.393 3.723 50 0 EHAARO CC[NH+]1CCC(N(C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)C2CC2)CC1 ZINC000069517255 564170051 /nfs/dbraw/zinc/17/00/51/564170051.db2.gz ZSMLSQFZQQBCTP-IRXDYDNUSA-N 1 0 332.513 3.635 50 0 EHAARO CC(C)C[N@@H+]1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000069970357 564172975 /nfs/dbraw/zinc/17/29/75/564172975.db2.gz MDVJIHFGWHRIKD-AWEZNQCLSA-N 1 0 334.489 3.523 50 0 EHAARO