smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1ccc(C(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)o1 ZINC000102757980 1031260825 /nfs/dbraw/zinc/26/08/25/1031260825.db2.gz LGSGKJBYPFXMGO-UHFFFAOYSA-N 1 0 342.439 4.040 10 0 EIAERO C[C@H](c1nc(-c2cccnc2)no1)N1CC=C(c2cccs2)CC1 ZINC000117896181 1031267811 /nfs/dbraw/zinc/26/78/11/1031267811.db2.gz MDPRWLOMCGYYBR-CYBMUJFWSA-N 1 0 338.436 4.043 10 0 EIAERO O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000107589500 1031283433 /nfs/dbraw/zinc/28/34/33/1031283433.db2.gz YGDNWWUMNAJBBN-FGZHOGPDSA-N 1 0 348.490 4.030 10 0 EIAERO O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000108795971 1031292546 /nfs/dbraw/zinc/29/25/46/1031292546.db2.gz DGBJBWBXMGCTGM-FGZHOGPDSA-N 1 0 348.490 4.030 10 0 EIAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)s1 ZINC000126323291 1031645585 /nfs/dbraw/zinc/64/55/85/1031645585.db2.gz CFMYYBHVZCJEDR-TXPKVOOTSA-N 1 0 343.540 4.267 10 0 EIAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3cc(F)c(F)c(F)c3)CC2)n1 ZINC000128143726 1031727804 /nfs/dbraw/zinc/72/78/04/1031727804.db2.gz XMVLHZHFYOMZBA-CYBMUJFWSA-N 1 0 349.400 4.127 10 0 EIAERO Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000129108592 1031780169 /nfs/dbraw/zinc/78/01/69/1031780169.db2.gz HARIDRUXVXPYCH-GOEBONIOSA-N 1 0 342.468 4.182 10 0 EIAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000092788454 1039589529 /nfs/dbraw/zinc/58/95/29/1039589529.db2.gz OKQJQQBKXBSIDC-MRXNPFEDSA-N 1 0 338.480 4.221 10 0 EIAERO Clc1ccc(-c2noc([C@@H]3CCC[N@H+](Cc4cc[nH]c4)C3)n2)cc1 ZINC000092966555 1039609367 /nfs/dbraw/zinc/60/93/67/1039609367.db2.gz NGJHHQJQUOHWCP-OAHLLOKOSA-N 1 0 342.830 4.098 10 0 EIAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1N(C)C ZINC000093946977 1039771391 /nfs/dbraw/zinc/77/13/91/1039771391.db2.gz LZEATURJNFJRKB-HNNXBMFYSA-N 1 0 329.513 4.134 10 0 EIAERO CC[NH+](CC)C[C@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000076000704 1045864912 /nfs/dbraw/zinc/86/49/12/1045864912.db2.gz YYWOUFBWCCBLKH-OAHLLOKOSA-N 1 0 347.890 4.159 10 0 EIAERO C[C@H]([NH3+])[C@@H](OCC1CCCCC1)c1cc(Br)cs1 ZINC000052147416 214119684 /nfs/dbraw/zinc/11/96/84/214119684.db2.gz CHPGARXHALFDSA-IINYFYTJSA-N 1 0 332.307 4.496 10 0 EIAERO CCC[NH2+][C@@H](Cc1sccc1Br)CC(F)(F)F ZINC000053832718 214201818 /nfs/dbraw/zinc/20/18/18/214201818.db2.gz BJSKWYVDYKOSBK-QMMMGPOBSA-N 1 0 330.213 4.374 10 0 EIAERO CCC[NH2+][C@@H](Cc1ccc(Br)s1)c1cccnc1 ZINC000053822145 214200171 /nfs/dbraw/zinc/20/01/71/214200171.db2.gz IBIDLEVTMRARKJ-ZDUSSCGKSA-N 1 0 325.275 4.189 10 0 EIAERO N[C@@H](CC[NH+]1CCCCCCC1)c1cccc(Br)c1 ZINC000053938555 214206366 /nfs/dbraw/zinc/20/63/66/214206366.db2.gz FNTCFVXPXZQQLM-INIZCTEOSA-N 1 0 325.294 4.105 10 0 EIAERO NC(=[NH2+])c1ccc(CSc2cccc(Br)c2)c(F)c1 ZINC000055307945 214304021 /nfs/dbraw/zinc/30/40/21/214304021.db2.gz WAMDDFKVAYMGPR-UHFFFAOYSA-N 1 0 339.233 4.165 10 0 EIAERO CCC[N@H+](CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471420 201895872 /nfs/dbraw/zinc/89/58/72/201895872.db2.gz QFFWSYBNWWOHJV-UHFFFAOYSA-N 1 0 345.508 4.187 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037772418 202035193 /nfs/dbraw/zinc/03/51/93/202035193.db2.gz FRYYEKJXBKURQJ-KGLIPLIRSA-N 1 0 325.294 4.208 10 0 EIAERO CCC[NH2+]Cc1ccc(Br)cc1N1CCC[C@@H]1CC ZINC000037914709 202060728 /nfs/dbraw/zinc/06/07/28/202060728.db2.gz KBFFOZXECFEGQV-HNNXBMFYSA-N 1 0 325.294 4.328 10 0 EIAERO C[C@]([NH2+]C1CCCCCC1)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000037972269 202070663 /nfs/dbraw/zinc/07/06/63/202070663.db2.gz PVXBTANHDGZZCM-MRXNPFEDSA-N 1 0 329.271 4.006 10 0 EIAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccc2c(c1)CCCO2 ZINC000038057874 202094368 /nfs/dbraw/zinc/09/43/68/202094368.db2.gz JMYLOLUGDIWRGX-HNNXBMFYSA-N 1 0 338.270 4.144 10 0 EIAERO CC[NH+](CC)C[C@@H](C)Nc1ccnc2cc(Br)ccc21 ZINC000027552199 202156780 /nfs/dbraw/zinc/15/67/80/202156780.db2.gz UUFHWDXXMIFWRG-GFCCVEGCSA-N 1 0 336.277 4.140 10 0 EIAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1cc(F)ccc1F ZINC000035543418 202306015 /nfs/dbraw/zinc/30/60/15/202306015.db2.gz RJBKCMJIJVLAGD-CYBMUJFWSA-N 1 0 332.213 4.488 10 0 EIAERO CC[NH2+][C@H](CC(F)(F)F)c1cc(Br)ccc1OC ZINC000035509153 202306146 /nfs/dbraw/zinc/30/61/46/202306146.db2.gz IRSISNQWZWMRIK-SNVBAGLBSA-N 1 0 326.156 4.061 10 0 EIAERO Fc1ccccc1-c1nc(N[C@@H]2CCC[NH2+]C2)cc(-c2ccccc2)n1 ZINC000070456453 202335278 /nfs/dbraw/zinc/33/52/78/202335278.db2.gz HJROQYYXFGKCBG-MRXNPFEDSA-N 1 0 348.425 4.114 10 0 EIAERO CC(C)c1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccc(Cl)c2)n1 ZINC000070456554 202335906 /nfs/dbraw/zinc/33/59/06/202335906.db2.gz KAUBJAASHMHCAC-HNNXBMFYSA-N 1 0 330.863 4.084 10 0 EIAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccc(OC)cc1Cl ZINC000036768286 202332284 /nfs/dbraw/zinc/33/22/84/202332284.db2.gz XQPODAIPDBBPBT-CYBMUJFWSA-N 1 0 346.677 4.481 10 0 EIAERO COc1ccc(-c2cncc(C[N@@H+]3CCCC[C@H]3C)c2)cc1OC ZINC000037553874 202346487 /nfs/dbraw/zinc/34/64/87/202346487.db2.gz DSXFSPZVGLNIFQ-OAHLLOKOSA-N 1 0 326.440 4.140 10 0 EIAERO Cc1ccc(OCc2ccc(Br)s2)c([C@@H](C)[NH3+])c1 ZINC000037710593 202354220 /nfs/dbraw/zinc/35/42/20/202354220.db2.gz GGLQGSBDQJCGGQ-SNVBAGLBSA-N 1 0 326.259 4.418 10 0 EIAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003291 202386184 /nfs/dbraw/zinc/38/61/84/202386184.db2.gz BKGFWUXOOBFZGX-RYUDHWBXSA-N 1 0 333.339 4.138 10 0 EIAERO C[C@H]([NH3+])[C@@H](SCc1ccco1)c1ccc(Br)cc1 ZINC000042959312 202504763 /nfs/dbraw/zinc/50/47/63/202504763.db2.gz YRUZMYVFGKHEMG-IINYFYTJSA-N 1 0 326.259 4.364 10 0 EIAERO CCOc1ccc(Cl)cc1[C@H](CN1CC[NH+](C)CC1)[C@H](C)CC ZINC000022042331 201372690 /nfs/dbraw/zinc/37/26/90/201372690.db2.gz PTFMLNBMLFZOGC-CRAIPNDOSA-N 1 0 338.923 4.116 10 0 EIAERO CC[C@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003607704 201359860 /nfs/dbraw/zinc/35/98/60/201359860.db2.gz FPAVJVKMXWGLPJ-FGZHOGPDSA-N 1 0 339.479 4.159 10 0 EIAERO CC[C@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003607708 201360313 /nfs/dbraw/zinc/36/03/13/201360313.db2.gz FPAVJVKMXWGLPJ-YADHBBJMSA-N 1 0 339.479 4.159 10 0 EIAERO CC[C@@H]([NH3+])c1ccc(OCc2sccc2Br)cc1 ZINC000043674248 202515090 /nfs/dbraw/zinc/51/50/90/202515090.db2.gz MCTLATJYFIQXRZ-CYBMUJFWSA-N 1 0 326.259 4.499 10 0 EIAERO Fc1ccc(-c2nn(Cc3ccccc3Cl)c3c2C[NH2+]CC3)cc1 ZINC000211644809 241084159 /nfs/dbraw/zinc/08/41/59/241084159.db2.gz PPALAZGZLBZXJT-UHFFFAOYSA-N 1 0 341.817 4.037 10 0 EIAERO Fc1ccccc1-c1nc(NC2CC[NH2+]CC2)cc(-c2ccccc2)n1 ZINC000070451708 203076064 /nfs/dbraw/zinc/07/60/64/203076064.db2.gz YZCNXOAALACBEJ-UHFFFAOYSA-N 1 0 348.425 4.114 10 0 EIAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000020486335 212137667 /nfs/dbraw/zinc/13/76/67/212137667.db2.gz QFWKESBGNGTBBZ-CYBMUJFWSA-N 1 0 339.302 4.033 10 0 EIAERO C[C@@H]([NH3+])c1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c1 ZINC000072427895 203221753 /nfs/dbraw/zinc/22/17/53/203221753.db2.gz ZEEBRDLFOXHVIS-CQSZACIVSA-N 1 0 343.434 4.257 10 0 EIAERO [NH3+][C@@H](c1cc(F)ccc1Br)c1c(F)cc(F)cc1F ZINC000019971709 212092993 /nfs/dbraw/zinc/09/29/93/212092993.db2.gz XYAVHYDSHPJFEQ-ZDUSSCGKSA-N 1 0 334.110 4.054 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1cccc(C)c1 ZINC000019967869 212091358 /nfs/dbraw/zinc/09/13/58/212091358.db2.gz WYCMYRCELIEDIB-CQSZACIVSA-N 1 0 340.648 4.468 10 0 EIAERO Brc1cccc(COc2ccc(C3=CC[NH2+]CC3)cc2)c1 ZINC000019803094 212069742 /nfs/dbraw/zinc/06/97/42/212069742.db2.gz VNUKGRUWNPJTIO-UHFFFAOYSA-N 1 0 344.252 4.405 10 0 EIAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)Cc1csc(Br)c1 ZINC000042362575 204088960 /nfs/dbraw/zinc/08/89/60/204088960.db2.gz YCMIVFYALWSTKI-SECBINFHSA-N 1 0 343.265 4.306 10 0 EIAERO CCC[NH2+][C@@H](C)c1oc2c(cccc2I)c1C ZINC000103933183 204089935 /nfs/dbraw/zinc/08/99/35/204089935.db2.gz IYQAAFIPKNLCGB-JTQLQIEISA-N 1 0 343.208 4.406 10 0 EIAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCOc1cccc(Br)c1 ZINC000103973464 204091522 /nfs/dbraw/zinc/09/15/22/204091522.db2.gz KVVYBHARXFPSLB-CJNGLKHVSA-N 1 0 326.278 4.338 10 0 EIAERO [NH3+]CCc1ccc(Br)cc1Oc1ccc(Cl)cc1 ZINC000104287958 204104832 /nfs/dbraw/zinc/10/48/32/204104832.db2.gz JZLHOFJXUFJMDO-UHFFFAOYSA-N 1 0 326.621 4.396 10 0 EIAERO [NH3+]Cc1cc(F)c(Sc2ccc(Br)cc2)c(F)c1 ZINC000104298364 204105446 /nfs/dbraw/zinc/10/54/46/204105446.db2.gz LZSIZTCMOVGGOY-UHFFFAOYSA-N 1 0 330.197 4.337 10 0 EIAERO CC[NH2+][C@H](C)c1ccc(SCCCOC)c(Br)c1 ZINC000104438331 204109718 /nfs/dbraw/zinc/10/97/18/204109718.db2.gz KUEFHBGAOZOYGT-LLVKDONJSA-N 1 0 332.307 4.248 10 0 EIAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1Br)c1ccccc1F ZINC000043047259 204208721 /nfs/dbraw/zinc/20/87/21/204208721.db2.gz WCRIKSJCODNMRA-CQSZACIVSA-N 1 0 344.611 4.320 10 0 EIAERO CC[C@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094678 204210287 /nfs/dbraw/zinc/21/02/87/204210287.db2.gz IVJLTLPUTUSJPV-MAZHCROVSA-N 1 0 326.278 4.434 10 0 EIAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)Cc1ccsc1 ZINC000043091575 204212071 /nfs/dbraw/zinc/21/20/71/204212071.db2.gz VDPWAHCMRALURY-NHYWBVRUSA-N 1 0 339.302 4.031 10 0 EIAERO Cc1ccc(Cl)c(O[C@@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042958139 204184286 /nfs/dbraw/zinc/18/42/86/204184286.db2.gz XOSZDCUBDXDHAA-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)Cc1ccsc1 ZINC000042953185 204184617 /nfs/dbraw/zinc/18/46/17/204184617.db2.gz OKBUCVXCILFHIV-XHDPSFHLSA-N 1 0 339.302 4.031 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCCCCCC1 ZINC000042952652 204184890 /nfs/dbraw/zinc/18/48/90/204184890.db2.gz DAPBBHNVDPUKID-CJNGLKHVSA-N 1 0 325.294 4.104 10 0 EIAERO [NH3+]C[C@@H](Oc1ccc(F)cc1Cl)c1cccc(Br)c1 ZINC000043023934 204197660 /nfs/dbraw/zinc/19/76/60/204197660.db2.gz ULKKIJZIJCFIMY-CQSZACIVSA-N 1 0 344.611 4.320 10 0 EIAERO CC[C@](C)(C[NH2+]C(C)C)CN(C)Cc1csc(Br)c1 ZINC000051256988 205365715 /nfs/dbraw/zinc/36/57/15/205365715.db2.gz AXRIYDKJXFRJKW-OAHLLOKOSA-N 1 0 347.366 4.357 10 0 EIAERO CC[NH2+][C@@H](Cc1cccs1)Cc1ccc(F)c(Br)c1 ZINC000052900717 206164716 /nfs/dbraw/zinc/16/47/16/206164716.db2.gz DMMXRGFQJCCLJY-GFCCVEGCSA-N 1 0 342.277 4.413 10 0 EIAERO CCC[C@H](CCOc1cccc(Br)c1)C[NH2+]C1CC1 ZINC000052970583 206199937 /nfs/dbraw/zinc/19/99/37/206199937.db2.gz YEVMDZRPPACUCJ-CYBMUJFWSA-N 1 0 326.278 4.386 10 0 EIAERO CC[NH2+][C@H](C)[C@H](Cc1cc(Br)ccc1OC)C(C)C ZINC000103942901 206479681 /nfs/dbraw/zinc/47/96/81/206479681.db2.gz WETFCNOVWJYUKK-IUODEOHRSA-N 1 0 328.294 4.270 10 0 EIAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856126 258001206 /nfs/dbraw/zinc/00/12/06/258001206.db2.gz UWLUEWFMYQFHBU-KONPQCLYSA-N 1 0 332.488 4.056 10 0 EIAERO CC[NH+](CC)CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000005794631 563550761 /nfs/dbraw/zinc/55/07/61/563550761.db2.gz IAMRSEAPKDSDAV-UHFFFAOYSA-N 1 0 340.678 4.384 10 0 EIAERO CCOc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1Br ZINC000010475384 563648418 /nfs/dbraw/zinc/64/84/18/563648418.db2.gz NYLWJWXQRSONCA-UHFFFAOYSA-N 1 0 334.257 4.446 10 0 EIAERO OCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000013727034 563718756 /nfs/dbraw/zinc/71/87/56/563718756.db2.gz YGYLATFZDXXGBU-UHFFFAOYSA-N 1 0 333.859 4.171 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cccc(Cl)c1Cl ZINC000675053572 564080433 /nfs/dbraw/zinc/08/04/33/564080433.db2.gz JBNSENWEBGVYPG-GWCFXTLKSA-N 1 0 345.270 4.393 10 0 EIAERO Cc1nc2ccc(Cl)cn2c1C[N@H+](Cc1ccccn1)CC(C)C ZINC000063855390 564082214 /nfs/dbraw/zinc/08/22/14/564082214.db2.gz SGOHXLCXKAQPII-UHFFFAOYSA-N 1 0 342.874 4.349 10 0 EIAERO CC[C@H]([NH2+]Cc1cccc(I)c1)C(C)(C)C ZINC000669380161 564084347 /nfs/dbraw/zinc/08/43/47/564084347.db2.gz SBRXYVOBJPFSML-ZDUSSCGKSA-N 1 0 331.241 4.206 10 0 EIAERO CCC[N@H+](CC)Cc1cc(C)c(I)cc1C ZINC000675075275 564113084 /nfs/dbraw/zinc/11/30/84/564113084.db2.gz KLSHLBOQDLIWDY-UHFFFAOYSA-N 1 0 331.241 4.140 10 0 EIAERO Cc1cc(C[NH+]2CCC(C)CC2)c(C)cc1I ZINC000675076000 564113279 /nfs/dbraw/zinc/11/32/79/564113279.db2.gz YIJGNZMRODCUQO-UHFFFAOYSA-N 1 0 343.252 4.140 10 0 EIAERO C[C@H](C(=O)c1ccccc1)[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000048523612 564129276 /nfs/dbraw/zinc/12/92/76/564129276.db2.gz LILTZCAPOGYAPR-GOSISDBHSA-N 1 0 341.434 4.421 10 0 EIAERO C[C@@H](CCc1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000056491486 1032085004 /nfs/dbraw/zinc/08/50/04/1032085004.db2.gz FTHXWHNRANAFOG-IBGZPJMESA-N 1 0 342.527 4.122 10 0 EIAERO Cc1csc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)n1 ZINC000092787360 1039592582 /nfs/dbraw/zinc/59/25/82/1039592582.db2.gz RQZBTPUUKUDZOC-UHFFFAOYSA-N 1 0 338.480 4.221 10 0 EIAERO COc1ccc([C@@H]2C[C@@H](C)[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C2)cc1 ZINC000076391763 1045893893 /nfs/dbraw/zinc/89/38/93/1045893893.db2.gz QAWNFGHWIQMSAW-IJEWVQPXSA-N 1 0 329.444 4.141 10 0 EIAERO C[NH2+][C@@H](C)c1cc(Br)ccc1OCc1cccs1 ZINC000052067062 214114505 /nfs/dbraw/zinc/11/45/05/214114505.db2.gz QWRRALREOHDFGQ-JTQLQIEISA-N 1 0 326.259 4.370 10 0 EIAERO CC[N@H+](CC[C@@H](NC)c1ccc(Br)cc1)CC(C)C ZINC000053938906 214205719 /nfs/dbraw/zinc/20/57/19/214205719.db2.gz VYUQUQIOTFYBCT-MRXNPFEDSA-N 1 0 327.310 4.078 10 0 EIAERO COCC[NH2+]CC1(Cc2sccc2Br)CCCCC1 ZINC000054655259 214248370 /nfs/dbraw/zinc/24/83/70/214248370.db2.gz AOJNQNRLYINPDH-UHFFFAOYSA-N 1 0 346.334 4.240 10 0 EIAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccccc1Br ZINC000019432799 202007153 /nfs/dbraw/zinc/00/71/53/202007153.db2.gz GSEKFRSQPCOLHU-CYBMUJFWSA-N 1 0 341.046 4.260 10 0 EIAERO [NH3+]C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000019504724 202009735 /nfs/dbraw/zinc/00/97/35/202009735.db2.gz MBZCWTKBXUYTJM-UHFFFAOYSA-N 1 0 341.046 4.260 10 0 EIAERO COc1c(Cl)cc(C[NH2+]CCc2ccccc2F)cc1Cl ZINC000020928440 202058763 /nfs/dbraw/zinc/05/87/63/202058763.db2.gz FWFPOLHRZDWBSK-UHFFFAOYSA-N 1 0 328.214 4.473 10 0 EIAERO C[C@H](CCCC(C)(C)O)CC[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000032498408 202225412 /nfs/dbraw/zinc/22/54/12/202225412.db2.gz XNPQGEQXEXRKQP-LJQANCHMSA-N 1 0 347.543 4.292 10 0 EIAERO O=C(OCC[N@@H+]1CCCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC000033875306 202270367 /nfs/dbraw/zinc/27/03/67/202270367.db2.gz RWROXLLAKDRYIK-OAQYLSRUSA-N 1 0 337.463 4.331 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1cccs1 ZINC000035379856 202300278 /nfs/dbraw/zinc/30/02/78/202300278.db2.gz KDPRQFITYJQIHC-NSHDSACASA-N 1 0 332.650 4.221 10 0 EIAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccc(OC)c(C)c1 ZINC000035506092 202306280 /nfs/dbraw/zinc/30/62/80/202306280.db2.gz HTFCEZRUFYSPRG-AWEZNQCLSA-N 1 0 326.259 4.136 10 0 EIAERO CCc1c(C)nc(-c2ccc(Cl)cc2)nc1NC[C@@H]1CCC[NH2+]C1 ZINC000070456361 202335408 /nfs/dbraw/zinc/33/54/08/202335408.db2.gz QUVAWDYYFSSSKT-CQSZACIVSA-N 1 0 344.890 4.079 10 0 EIAERO CCOc1ccc(Cl)cc1[C@H](CN1CC[NH+](C)CC1)[C@@H](C)CC ZINC000022042335 201373159 /nfs/dbraw/zinc/37/31/59/201373159.db2.gz PTFMLNBMLFZOGC-MAUKXSAKSA-N 1 0 338.923 4.116 10 0 EIAERO CCOc1ccc(Cl)cc1[C@@H](CN1CC[NH+](C)CC1)[C@@H](C)CC ZINC000022042342 201372891 /nfs/dbraw/zinc/37/28/91/201372891.db2.gz PTFMLNBMLFZOGC-YJBOKZPZSA-N 1 0 338.923 4.116 10 0 EIAERO CCCOc1c(Br)cc(C[NH2+]C(C)(C)C)cc1OC ZINC000020932685 212189525 /nfs/dbraw/zinc/18/95/25/212189525.db2.gz YBYJIIBEEDDUGN-UHFFFAOYSA-N 1 0 330.266 4.135 10 0 EIAERO COc1ccc(Br)cc1[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000020586645 212150090 /nfs/dbraw/zinc/15/00/90/212150090.db2.gz BLEWPMXOFOKDEW-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1cccc(C)c1 ZINC000019967868 212091780 /nfs/dbraw/zinc/09/17/80/212091780.db2.gz WYCMYRCELIEDIB-AWEZNQCLSA-N 1 0 340.648 4.468 10 0 EIAERO CC(C)C[NH+](CC(=O)c1cccc(Br)c1)CC(C)C ZINC000104156529 204098571 /nfs/dbraw/zinc/09/85/71/204098571.db2.gz PAXPICLRNYMSTH-UHFFFAOYSA-N 1 0 326.278 4.246 10 0 EIAERO C[C@@H]([NH3+])[C@@H](OCCc1cccs1)c1ccccc1Br ZINC000043095617 204209957 /nfs/dbraw/zinc/20/99/57/204209957.db2.gz GDJLQBGAOOEZPK-IAQYHMDHSA-N 1 0 340.286 4.158 10 0 EIAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N1CCCCCCC1 ZINC000043091091 204211052 /nfs/dbraw/zinc/21/10/52/204211052.db2.gz HNRFACOAZXXQRE-XJKSGUPXSA-N 1 0 325.294 4.104 10 0 EIAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)Cc1ccsc1 ZINC000043091584 204211139 /nfs/dbraw/zinc/21/11/39/204211139.db2.gz VDPWAHCMRALURY-IAQYHMDHSA-N 1 0 339.302 4.031 10 0 EIAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)C1CCCC1 ZINC000043091277 204211776 /nfs/dbraw/zinc/21/17/76/204211776.db2.gz DMNYWMFZLWHICP-CVEARBPZSA-N 1 0 325.294 4.102 10 0 EIAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)CCC(C)C ZINC000043092703 204212126 /nfs/dbraw/zinc/21/21/26/204212126.db2.gz OICUUZBYBKISPL-CVEARBPZSA-N 1 0 327.310 4.205 10 0 EIAERO C[C@@H]([NH3+])[C@H](OCCc1cccs1)c1ccc(Br)cc1 ZINC000042958524 204183953 /nfs/dbraw/zinc/18/39/53/204183953.db2.gz BWLGHHURYDZAPF-ABAIWWIYSA-N 1 0 340.286 4.158 10 0 EIAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)Cc1ccsc1 ZINC000042953179 204185113 /nfs/dbraw/zinc/18/51/13/204185113.db2.gz OKBUCVXCILFHIV-NHYWBVRUSA-N 1 0 339.302 4.031 10 0 EIAERO CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCCC[C@@H]1C ZINC000042951811 204185903 /nfs/dbraw/zinc/18/59/03/204185903.db2.gz PMDIPCJLZQBLPF-RCBQFDQVSA-N 1 0 325.294 4.102 10 0 EIAERO COc1ccc([C@@H](C[NH3+])Sc2ccccc2Br)cc1 ZINC000042964934 204187161 /nfs/dbraw/zinc/18/71/61/204187161.db2.gz ABODSXHLWBTEDP-OAHLLOKOSA-N 1 0 338.270 4.250 10 0 EIAERO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)CCC(C)C ZINC000043021231 204200161 /nfs/dbraw/zinc/20/01/61/204200161.db2.gz DPQSPRLPPDSMKA-JKSUJKDBSA-N 1 0 327.310 4.205 10 0 EIAERO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000002476190 206385189 /nfs/dbraw/zinc/38/51/89/206385189.db2.gz GKKRJVCGUHCKPA-INIZCTEOSA-N 1 0 327.896 4.022 10 0 EIAERO C[C@H]1CCC[C@@H]([NH2+]CCN(C)Cc2cc(Br)cs2)C1 ZINC000053429445 207145469 /nfs/dbraw/zinc/14/54/69/207145469.db2.gz QDXKGSOAXVAJKS-GXTWGEPZSA-N 1 0 345.350 4.111 10 0 EIAERO Cc1ccsc1C[NH2+]CCOc1ccc(C)cc1Br ZINC000053585643 207283181 /nfs/dbraw/zinc/28/31/81/207283181.db2.gz OEWBDXFGHFDQKC-UHFFFAOYSA-N 1 0 340.286 4.296 10 0 EIAERO CC(C)[NH2+]Cc1ccc(Br)cc1N1CCC(C)CC1 ZINC000034822987 132388367 /nfs/dbraw/zinc/38/83/67/132388367.db2.gz HPEVXNGZFZMBFI-UHFFFAOYSA-N 1 0 325.294 4.183 10 0 EIAERO CC[NH2+]Cc1ccc(Br)cc1N1CCC[C@H](CC)C1 ZINC000036170251 535478231 /nfs/dbraw/zinc/47/82/31/535478231.db2.gz DEHBZQCMPVNTFQ-ZDUSSCGKSA-N 1 0 325.294 4.185 10 0 EIAERO Cc1ccc(COc2ccccc2C[NH2+]CCCOC(C)C)cc1 ZINC000013722012 563716855 /nfs/dbraw/zinc/71/68/55/563716855.db2.gz VCJDEIOURUODHQ-UHFFFAOYSA-N 1 0 327.468 4.479 10 0 EIAERO COCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000013722494 563717242 /nfs/dbraw/zinc/71/72/42/563717242.db2.gz UVUQCMGRRZVKQN-UHFFFAOYSA-N 1 0 349.858 4.054 10 0 EIAERO Cc1cc(C[N@H+]2CCCC[C@H]2C)c(C)cc1I ZINC000675075523 564113146 /nfs/dbraw/zinc/11/31/46/564113146.db2.gz QWNBHMWOEYKUNS-CYBMUJFWSA-N 1 0 343.252 4.282 10 0 EIAERO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)s1 ZINC000073682594 1021084557 /nfs/dbraw/zinc/08/45/57/1021084557.db2.gz JICSXKOTINHGJL-JTQLQIEISA-N 1 0 343.924 4.071 10 0 EIAERO COc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)ccc1SC ZINC000109326787 1031300345 /nfs/dbraw/zinc/30/03/45/1031300345.db2.gz OLSVRTZADOYCIB-AWEZNQCLSA-N 1 0 334.510 4.253 10 0 EIAERO CCOC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000075743705 1045845509 /nfs/dbraw/zinc/84/55/09/1045845509.db2.gz RINUENZWSRLRKG-CQSZACIVSA-N 1 0 334.847 4.244 10 0 EIAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)Cc1ccc(F)cc1Br ZINC000053817466 214200744 /nfs/dbraw/zinc/20/07/44/214200744.db2.gz CNZIXQXSSLBHDT-AWEZNQCLSA-N 1 0 342.639 4.354 10 0 EIAERO [NH3+][C@@H](Cc1sccc1Br)Cc1ccc(Cl)cc1 ZINC000053817499 214200788 /nfs/dbraw/zinc/20/07/88/214200788.db2.gz RCPQQEUELNWSMG-LLVKDONJSA-N 1 0 330.678 4.277 10 0 EIAERO CCCC[N@H+](C)CC[C@H](NCC)c1cccc(Br)c1 ZINC000053938218 214205649 /nfs/dbraw/zinc/20/56/49/214205649.db2.gz GRRVIFFAQZDTOF-INIZCTEOSA-N 1 0 327.310 4.222 10 0 EIAERO CCC(CC)[N@H+](C)CC[C@@H](NC)c1ccc(Br)cc1 ZINC000053939923 214206066 /nfs/dbraw/zinc/20/60/66/214206066.db2.gz BUISESUCDMGEJS-MRXNPFEDSA-N 1 0 327.310 4.220 10 0 EIAERO CCC[NH+](CCC)CC[C@H](NC)c1ccc(Br)cc1 ZINC000053938158 214206666 /nfs/dbraw/zinc/20/66/66/214206666.db2.gz XPZCMLVFZTXMQD-INIZCTEOSA-N 1 0 327.310 4.222 10 0 EIAERO Cc1ccc(COc2cccc(C[NH2+]CCCOC(C)C)c2)cc1 ZINC000013722032 201910453 /nfs/dbraw/zinc/91/04/53/201910453.db2.gz ZLZNHYVKPFFCSZ-UHFFFAOYSA-N 1 0 327.468 4.479 10 0 EIAERO [NH3+][C@H](c1ccc(Br)cc1)c1cccc(Br)c1 ZINC000019424607 202006901 /nfs/dbraw/zinc/00/69/01/202006901.db2.gz CIFKROMQIMJQGO-CYBMUJFWSA-N 1 0 341.046 4.260 10 0 EIAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000019515985 202010610 /nfs/dbraw/zinc/01/06/10/202010610.db2.gz YWOPIRCKCDWSMJ-GFCCVEGCSA-N 1 0 325.275 4.037 10 0 EIAERO CC[C@@H]([NH3+])Cc1cc(Br)ccc1OCc1ccsc1 ZINC000037725573 202032621 /nfs/dbraw/zinc/03/26/21/202032621.db2.gz KAKYTZSYGXKWKV-CQSZACIVSA-N 1 0 340.286 4.369 10 0 EIAERO CC[C@H]([NH3+])Cc1ccc(OCc2ccc(Br)s2)cc1 ZINC000037724004 202032960 /nfs/dbraw/zinc/03/29/60/202032960.db2.gz OLDNYZYHDCRCKT-LBPRGKRZSA-N 1 0 340.286 4.369 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000037772395 202034724 /nfs/dbraw/zinc/03/47/24/202034724.db2.gz VUUSOYVAGBBZEF-YDHLFZDLSA-N 1 0 325.294 4.207 10 0 EIAERO COc1c(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000020928409 202058506 /nfs/dbraw/zinc/05/85/06/202058506.db2.gz KTOPIYMPUGBBLA-UHFFFAOYSA-N 1 0 340.206 4.021 10 0 EIAERO [NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC000021016229 202061349 /nfs/dbraw/zinc/06/13/49/202061349.db2.gz QUFWIDQUOJYCGA-CQSZACIVSA-N 1 0 327.280 4.113 10 0 EIAERO [NH3+][C@@H](Cc1ccccc1)c1nc(-c2ccc(Br)s2)c[nH]1 ZINC000038002344 202082063 /nfs/dbraw/zinc/08/20/63/202082063.db2.gz YNIHFSASZGZSIT-NSHDSACASA-N 1 0 348.269 4.143 10 0 EIAERO Cc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000038012592 202084086 /nfs/dbraw/zinc/08/40/86/202084086.db2.gz UVPZIPWSUPLBES-CYBMUJFWSA-N 1 0 347.256 4.047 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)s2)cc1Cl ZINC000035381612 202299859 /nfs/dbraw/zinc/29/98/59/202299859.db2.gz GWQCEKKKDNDYFF-GFCCVEGCSA-N 1 0 332.650 4.221 10 0 EIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000035805214 202311016 /nfs/dbraw/zinc/31/10/16/202311016.db2.gz OBRGVHVIODPPAG-INIZCTEOSA-N 1 0 332.875 4.482 10 0 EIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)cc1Br ZINC000037445161 202342718 /nfs/dbraw/zinc/34/27/18/202342718.db2.gz CQBDXSVWSVKVLT-CQSZACIVSA-N 1 0 326.259 4.136 10 0 EIAERO CC[C@H](OC(C)=O)C(C[C@@H](C)[NH2+]C)(c1ccccc1)c1ccccc1 ZINC000005651045 201658770 /nfs/dbraw/zinc/65/87/70/201658770.db2.gz VWCUGCYZZGRKEE-UTKZUKDTSA-N 1 0 339.479 4.312 10 0 world EIAERO C[C@@H]1[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592883 202966628 /nfs/dbraw/zinc/96/66/28/202966628.db2.gz FWBIWXGKOUKNHP-DFGXFYAUSA-N 1 0 332.488 4.199 10 0 EIAERO Fc1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000070456565 203077097 /nfs/dbraw/zinc/07/70/97/203077097.db2.gz YHOJMKMTMOBAIP-GOSISDBHSA-N 1 0 348.425 4.114 10 0 EIAERO C[C@@H]([NH2+]C1CCC(O)CC1)c1cc2cc(Br)ccc2o1 ZINC000019918909 212083658 /nfs/dbraw/zinc/08/36/58/212083658.db2.gz QVFBGPATMSQZRO-GWMXKSKGSA-N 1 0 338.245 4.149 10 0 EIAERO C[NH2+]Cc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000019777404 212065255 /nfs/dbraw/zinc/06/52/55/212065255.db2.gz GRPCXHMBPHTKIJ-UHFFFAOYSA-N 1 0 326.223 4.300 10 0 EIAERO CCC1CCC(C[NH2+]Cc2ccc(I)o2)CC1 ZINC000103971477 204090352 /nfs/dbraw/zinc/09/03/52/204090352.db2.gz FMMCYCSGDHZTGG-UHFFFAOYSA-N 1 0 347.240 4.190 10 0 EIAERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)c1ccc(Br)s1 ZINC000042606866 204112212 /nfs/dbraw/zinc/11/22/12/204112212.db2.gz XIIPWXKGEJMIMR-SRVKXCTJSA-N 1 0 331.323 4.021 10 0 EIAERO Cc1ccc([C@@H](C)[NH3+])c(OCc2ccc(Br)s2)c1 ZINC000104328793 204105432 /nfs/dbraw/zinc/10/54/32/204105432.db2.gz PZXFPDRCPLNTAB-SNVBAGLBSA-N 1 0 326.259 4.418 10 0 EIAERO Cc1cc(Cl)ccc1O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094468 204209331 /nfs/dbraw/zinc/20/93/31/204209331.db2.gz HZKPAOYBFQYPCS-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO Cc1ccc(Cl)c(O[C@H](C[NH3+])c2ccccc2Br)c1 ZINC000043095265 204209663 /nfs/dbraw/zinc/20/96/63/204209663.db2.gz BYRADVAKQAXUFO-OAHLLOKOSA-N 1 0 340.648 4.490 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1ccccc1)N(C)Cc1cc(Br)cs1 ZINC000042902313 204170454 /nfs/dbraw/zinc/17/04/54/204170454.db2.gz AWGUOEVXKMYSOJ-ABAIWWIYSA-N 1 0 339.302 4.031 10 0 EIAERO CCCCN([C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042954604 204182871 /nfs/dbraw/zinc/18/28/71/204182871.db2.gz VHSXOGVUHCHHGD-MLGOLLRUSA-N 1 0 325.294 4.102 10 0 EIAERO Cc1cc(Cl)ccc1O[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957016 204183245 /nfs/dbraw/zinc/18/32/45/204183245.db2.gz CNDOYRIQOZABCG-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](C)[C@@H](C)C(C)C ZINC000042953351 204186528 /nfs/dbraw/zinc/18/65/28/204186528.db2.gz FBKDUXAJKSSLKE-APHBMKBZSA-N 1 0 327.310 4.204 10 0 EIAERO C[C@@H]([NH3+])[C@@H](OCCc1cccs1)c1cccc(Br)c1 ZINC000043024069 204197843 /nfs/dbraw/zinc/19/78/43/204197843.db2.gz WVHCDYXLALQIBW-IAQYHMDHSA-N 1 0 340.286 4.158 10 0 EIAERO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C(C)C ZINC000043020644 204199168 /nfs/dbraw/zinc/19/91/68/204199168.db2.gz OCELTFWQVWIQLL-MAZHCROVSA-N 1 0 327.310 4.204 10 0 EIAERO CC[C@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022980 204202773 /nfs/dbraw/zinc/20/27/73/204202773.db2.gz IIHCDQIVMWAWSQ-MAZHCROVSA-N 1 0 326.278 4.434 10 0 EIAERO C[NH2+][C@@H]1CCCCC[C@@H]1Cc1cc(Br)ccc1OC ZINC000043650750 204286200 /nfs/dbraw/zinc/28/62/00/204286200.db2.gz RUPYYTPNHNGRBF-IUODEOHRSA-N 1 0 326.278 4.169 10 0 EIAERO COc1ccc(Br)cc1C[C@@H]([NH3+])c1ccccc1Cl ZINC000050438785 204607741 /nfs/dbraw/zinc/60/77/41/204607741.db2.gz BQSIMFSOJBDZQI-CQSZACIVSA-N 1 0 340.648 4.354 10 0 EIAERO CCC[NH2+]Cc1sc(Cc2ccc(Br)cc2)nc1C ZINC000052330518 205889030 /nfs/dbraw/zinc/88/90/30/205889030.db2.gz BXTQFVXTNHWKGC-UHFFFAOYSA-N 1 0 339.302 4.304 10 0 EIAERO CCC[NH2+]C[C@H](CCCOC)Cc1cccc(Br)c1 ZINC000052978056 206204900 /nfs/dbraw/zinc/20/49/00/206204900.db2.gz VHYHTKFWQVMYBR-OAHLLOKOSA-N 1 0 328.294 4.034 10 0 EIAERO C[C@@H](C[NH2+]C1CCCCC1)Oc1ccc(Br)cc1F ZINC000053586188 207283936 /nfs/dbraw/zinc/28/39/36/207283936.db2.gz DZDSVIYUUMSPEX-NSHDSACASA-N 1 0 330.241 4.278 10 0 EIAERO CCOc1cccc(C[NH2+]CCOC)c1OCc1ccccc1Cl ZINC000013729813 207525984 /nfs/dbraw/zinc/52/59/84/207525984.db2.gz RMJXWGZZNKLJEV-UHFFFAOYSA-N 1 0 349.858 4.054 10 0 EIAERO C[NH+](C)CCCN1c2ccc(O)cc2CCc2ccc(Cl)cc21 ZINC000034646291 257692186 /nfs/dbraw/zinc/69/21/86/257692186.db2.gz PVKACZKLKCTAHR-UHFFFAOYSA-N 1 0 330.859 4.234 10 0 world EIAERO Cc1ccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)cc1Cl ZINC000010314140 563646797 /nfs/dbraw/zinc/64/67/97/563646797.db2.gz VZDJIBOMTQFMSQ-UHFFFAOYSA-N 1 0 329.831 4.285 10 0 EIAERO CCOc1cc(C[NH2+]Cc2ccccc2OC)cc(Cl)c1OCC ZINC000013720543 563716455 /nfs/dbraw/zinc/71/64/55/563716455.db2.gz QXSHJSCAIGOZNT-UHFFFAOYSA-N 1 0 349.858 4.436 10 0 EIAERO CC[C@H](C)[N@H+](Cc1cccn1-c1nccs1)Cc1ccncc1 ZINC000055327378 563934457 /nfs/dbraw/zinc/93/44/57/563934457.db2.gz VMJYRGZDKUWTDI-HNNXBMFYSA-N 1 0 326.469 4.130 10 0 EIAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592886 563963267 /nfs/dbraw/zinc/96/32/67/563963267.db2.gz FWBIWXGKOUKNHP-XLMAVXFVSA-N 1 0 332.488 4.199 10 0 EIAERO Fc1ccc(-c2nc3cc4c(cc3cc2C[NH2+]C2CC2)OCO4)cc1 ZINC000012243688 564033189 /nfs/dbraw/zinc/03/31/89/564033189.db2.gz AINWDWREOQUFGQ-UHFFFAOYSA-N 1 0 336.366 4.022 10 0 EIAERO O[C@@H](c1ccc2c(c1)CN(Cc1ccoc1)CCO2)C1CCCCC1 ZINC000012281523 564033396 /nfs/dbraw/zinc/03/33/96/564033396.db2.gz PAYWAZJHZCSAJF-OAQYLSRUSA-N 1 0 341.451 4.288 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1Cl ZINC000675052388 564052431 /nfs/dbraw/zinc/05/24/31/564052431.db2.gz AAMUWOVBMAXCPT-BXUZGUMPSA-N 1 0 345.270 4.393 10 0 EIAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000675054264 564081128 /nfs/dbraw/zinc/08/11/28/564081128.db2.gz MPUWZIMGXDZBQC-KBPBESRZSA-N 1 0 345.270 4.311 10 0 EIAERO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000055271480 564134807 /nfs/dbraw/zinc/13/48/07/564134807.db2.gz KTYOEJWBEOEIDU-BWPKMQGJSA-N 1 0 348.425 4.350 10 0 EIAERO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3C=C12 ZINC000004084139 564160416 /nfs/dbraw/zinc/16/04/16/564160416.db2.gz OCWMOVOEHOFLTA-GADAEZOWSA-N 1 0 345.527 4.423 10 0 EIAERO Cc1ccc(O[C@@H](C[NH3+])C(F)(F)C(F)(F)F)c(C(C)(C)C)c1 ZINC000616570864 564177356 /nfs/dbraw/zinc/17/73/56/564177356.db2.gz VGVGGOBSBMAYED-LBPRGKRZSA-N 1 0 325.321 4.196 10 0 EIAERO Cc1cc(C(C)(C)C)ccc1O[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616570571 564177357 /nfs/dbraw/zinc/17/73/57/564177357.db2.gz SSWZLSWONKYBQD-LBPRGKRZSA-N 1 0 325.321 4.196 10 0 EIAERO COCCCCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000116879694 1030906971 /nfs/dbraw/zinc/90/69/71/1030906971.db2.gz FTCZJOATJWSJGN-SFHVURJKSA-N 1 0 327.472 4.073 10 0 EIAERO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000128140666 1031726932 /nfs/dbraw/zinc/72/69/32/1031726932.db2.gz QEAJSAQLWMZRFP-KRWDZBQOSA-N 1 0 339.483 4.027 10 0 EIAERO c1csc(C2=CC[N@H+](Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000093533755 1039712715 /nfs/dbraw/zinc/71/27/15/1039712715.db2.gz AVTUTNWGNJJEHG-UHFFFAOYSA-N 1 0 325.481 4.033 10 0 EIAERO C[C@@H]([NH3+])[C@H](OCC1CCCCC1)c1cc(Br)cs1 ZINC000052147413 214120130 /nfs/dbraw/zinc/12/01/30/214120130.db2.gz CHPGARXHALFDSA-YGRLFVJLSA-N 1 0 332.307 4.496 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(F)cc1Br)c1cccc(F)c1 ZINC000053789861 214198966 /nfs/dbraw/zinc/19/89/66/214198966.db2.gz ZSTWIHFTYUMVOX-HNNXBMFYSA-N 1 0 326.184 4.231 10 0 EIAERO CCCCC[N@H+](C)CC[C@H](NC)c1ccc(Br)cc1 ZINC000053939584 214206161 /nfs/dbraw/zinc/20/61/61/214206161.db2.gz UQUCKGBWPNAWBH-INIZCTEOSA-N 1 0 327.310 4.222 10 0 EIAERO CCN[C@@H](CC[N@H+](C)CC(C)C)c1cccc(Br)c1 ZINC000053939393 214206342 /nfs/dbraw/zinc/20/63/42/214206342.db2.gz FGXAVPNEGTWABL-INIZCTEOSA-N 1 0 327.310 4.078 10 0 EIAERO CCN[C@@H](CC[N@H+](CC)C(C)C)c1cccc(Br)c1 ZINC000053939208 214206352 /nfs/dbraw/zinc/20/63/52/214206352.db2.gz HOTGIIZGWSXTOO-INIZCTEOSA-N 1 0 327.310 4.220 10 0 EIAERO CC(C)C[NH2+]Cc1c(Cl)cccc1-n1cc(Br)cn1 ZINC000062738734 214731782 /nfs/dbraw/zinc/73/17/82/214731782.db2.gz AGYSGKODMBVJTP-UHFFFAOYSA-N 1 0 342.668 4.034 10 0 EIAERO CCC[NH2+][C@H](Cc1ccc(Br)s1)c1ncccc1C ZINC000060701114 214646066 /nfs/dbraw/zinc/64/60/66/214646066.db2.gz PPAIQFYIQDLIPR-CYBMUJFWSA-N 1 0 339.302 4.497 10 0 EIAERO CCC[NH2+]Cc1ccc(-c2c(F)cc(F)cc2Br)o1 ZINC000036819271 201797081 /nfs/dbraw/zinc/79/70/81/201797081.db2.gz AAXHEDLXBHYRJL-UHFFFAOYSA-N 1 0 330.172 4.487 10 0 EIAERO [NH3+]CCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000037720803 202030629 /nfs/dbraw/zinc/03/06/29/202030629.db2.gz XAMXZXORRAKMQP-UHFFFAOYSA-N 1 0 340.648 4.183 10 0 EIAERO [NH3+]CCc1cc(Cl)ccc1OCc1cccc(Br)c1 ZINC000037720953 202030659 /nfs/dbraw/zinc/03/06/59/202030659.db2.gz YEPHOONCQYSTSA-UHFFFAOYSA-N 1 0 340.648 4.183 10 0 EIAERO CC[C@@H]([NH3+])Cc1ccc(OCc2ccc(Br)s2)cc1 ZINC000037724005 202032753 /nfs/dbraw/zinc/03/27/53/202032753.db2.gz OLDNYZYHDCRCKT-GFCCVEGCSA-N 1 0 340.286 4.369 10 0 EIAERO CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2)cc1Cl ZINC000020476847 202043722 /nfs/dbraw/zinc/04/37/22/202043722.db2.gz LVOLUQYMBKIWAG-MRXNPFEDSA-N 1 0 340.250 4.215 10 0 EIAERO CCOc1c(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2)cc1Cl ZINC000020476849 202044191 /nfs/dbraw/zinc/04/41/91/202044191.db2.gz LVOLUQYMBKIWAG-INIZCTEOSA-N 1 0 340.250 4.215 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCN2CC)cc1Cl ZINC000020967533 202059922 /nfs/dbraw/zinc/05/99/22/202059922.db2.gz CNCXRDDSSKXBEJ-AWEZNQCLSA-N 1 0 345.314 4.356 10 0 EIAERO Cc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1C[NH2+]C1CC1 ZINC000038001541 202079489 /nfs/dbraw/zinc/07/94/89/202079489.db2.gz LIMMDPZWLIMDGJ-UHFFFAOYSA-N 1 0 326.227 4.080 10 0 EIAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccc2c(c1)CCCO2 ZINC000038057875 202094137 /nfs/dbraw/zinc/09/41/37/202094137.db2.gz JMYLOLUGDIWRGX-OAHLLOKOSA-N 1 0 338.270 4.144 10 0 EIAERO O[C@]1(c2ccc(Cl)cc2)CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000028878376 202178431 /nfs/dbraw/zinc/17/84/31/202178431.db2.gz UJDUEYVURZHWBC-HXUWFJFHSA-N 1 0 340.854 4.305 10 0 EIAERO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccnc2)cc1 ZINC000037522956 213152849 /nfs/dbraw/zinc/15/28/49/213152849.db2.gz KGWMOYHMSVWPOE-QFIPXVFZSA-N 1 0 331.463 4.441 10 0 EIAERO COc1ccc([C@H]([NH3+])c2cc(Br)ccc2Cl)cc1F ZINC000035424441 213027491 /nfs/dbraw/zinc/02/74/91/213027491.db2.gz SUGYOIQSHXEMQL-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO CC[NH2+][C@H](c1cccs1)c1cc(Br)ccc1OC ZINC000035508798 202305911 /nfs/dbraw/zinc/30/59/11/202305911.db2.gz IEIVNRKGINRZJC-AWEZNQCLSA-N 1 0 326.259 4.218 10 0 EIAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(I)cc2)cc1 ZINC000036904121 202332881 /nfs/dbraw/zinc/33/28/81/202332881.db2.gz ZNWYKSUZPJUQFZ-SNVBAGLBSA-N 1 0 339.176 4.103 10 0 EIAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(I)cc1 ZINC000037260252 202337652 /nfs/dbraw/zinc/33/76/52/202337652.db2.gz ZNZPPWGQZDBICJ-MNOVXSKESA-N 1 0 341.192 4.296 10 0 EIAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1Br)c1cccs1 ZINC000043110055 202508181 /nfs/dbraw/zinc/50/81/81/202508181.db2.gz PRMVCKPKFTUYNT-RISCZKNCSA-N 1 0 326.259 4.368 10 0 EIAERO C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Br)s1 ZINC000216407742 241189579 /nfs/dbraw/zinc/18/95/79/241189579.db2.gz ADUXFTNUUGJUSF-QWHCGFSZSA-N 1 0 345.350 4.426 10 0 EIAERO C[C@@H]1CCc2c(C(=O)NCCC[NH+]3[C@H](C)CCC[C@H]3C)csc2C1 ZINC000245276324 243102958 /nfs/dbraw/zinc/10/29/58/243102958.db2.gz SSDAVWGNVXMOGB-BZUAXINKSA-N 1 0 348.556 4.256 10 0 EIAERO COc1ccc(Br)cc1[C@H]([NH3+])Cc1ccccc1Cl ZINC000020586665 212149656 /nfs/dbraw/zinc/14/96/56/212149656.db2.gz YKLWWIBAAFRWGN-CQSZACIVSA-N 1 0 340.648 4.354 10 0 EIAERO Cc1ccc(-c2nc(-c3ccccc3)cc(N3CCC([NH3+])CC3)n2)cc1 ZINC000070451797 203076163 /nfs/dbraw/zinc/07/61/63/203076163.db2.gz SWPIMXUMTGUPLL-UHFFFAOYSA-N 1 0 344.462 4.047 10 0 EIAERO COc1ccc(CC[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000019907347 212081808 /nfs/dbraw/zinc/08/18/08/212081808.db2.gz HKFPYZCYALOQPM-CYBMUJFWSA-N 1 0 334.257 4.351 10 0 EIAERO C[C@H]([NH3+])c1c(F)cccc1N(C)Cc1csc(Br)c1 ZINC000042362586 204088756 /nfs/dbraw/zinc/08/87/56/204088756.db2.gz KPZWUFIKKSDYNL-VIFPVBQESA-N 1 0 343.265 4.306 10 0 EIAERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)c1ccc(Br)s1 ZINC000042606868 204112926 /nfs/dbraw/zinc/11/29/26/204112926.db2.gz XIIPWXKGEJMIMR-TUAOUCFPSA-N 1 0 331.323 4.021 10 0 EIAERO CSc1ccccc1O[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000104327904 204104254 /nfs/dbraw/zinc/10/42/54/204104254.db2.gz TWGXRJDOOXGQPT-NSHDSACASA-N 1 0 344.299 4.311 10 0 EIAERO C[NH2+][C@H](c1sccc1Br)c1ccc(OC)c(Cl)c1 ZINC000104301231 204104557 /nfs/dbraw/zinc/10/45/57/204104557.db2.gz TXYPSXKMIANPFI-LBPRGKRZSA-N 1 0 346.677 4.481 10 0 EIAERO [NH3+]CCc1c(Cl)cccc1Oc1ccccc1Br ZINC000104301057 204105282 /nfs/dbraw/zinc/10/52/82/204105282.db2.gz ATQSGYQTXPYSQV-UHFFFAOYSA-N 1 0 326.621 4.396 10 0 EIAERO Cc1cc(Cl)ccc1O[C@H](C[NH3+])c1ccccc1Br ZINC000043094470 204209451 /nfs/dbraw/zinc/20/94/51/204209451.db2.gz HZKPAOYBFQYPCS-OAHLLOKOSA-N 1 0 340.648 4.490 10 0 EIAERO CC[C@@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094676 204210490 /nfs/dbraw/zinc/21/04/90/204210490.db2.gz IVJLTLPUTUSJPV-WQVCFCJDSA-N 1 0 326.278 4.434 10 0 EIAERO C[C@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1cccc(Br)c1 ZINC000043105218 204213459 /nfs/dbraw/zinc/21/34/59/204213459.db2.gz UQCWENBQGUCQQZ-NHYWBVRUSA-N 1 0 339.302 4.031 10 0 EIAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(Cl)cc2Br)c1 ZINC000042968265 204190225 /nfs/dbraw/zinc/19/02/25/204190225.db2.gz NCKICMQUBTUDDD-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO CCC(CC)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020649 204198236 /nfs/dbraw/zinc/19/82/36/204198236.db2.gz YIIIRJFHQJKIJE-CVEARBPZSA-N 1 0 327.310 4.348 10 0 EIAERO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C(C)C ZINC000043020640 204199056 /nfs/dbraw/zinc/19/90/56/204199056.db2.gz OCELTFWQVWIQLL-APHBMKBZSA-N 1 0 327.310 4.204 10 0 EIAERO COc1ccccc1S[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043025260 204199144 /nfs/dbraw/zinc/19/91/44/204199144.db2.gz OKWPUJVIXCZVPO-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](CC)CC(C)C ZINC000043020394 204199236 /nfs/dbraw/zinc/19/92/36/204199236.db2.gz DTHAKBIQZQNQGH-JKSUJKDBSA-N 1 0 327.310 4.205 10 0 EIAERO CC[NH2+]CC(CC)(CC)Cc1cc(Br)ccc1OC ZINC000103996483 206481022 /nfs/dbraw/zinc/48/10/22/206481022.db2.gz TZKXAEHLERBFET-UHFFFAOYSA-N 1 0 328.294 4.416 10 0 EIAERO C[C@H](C[C@H](CNC(=O)OC(C)(C)C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238857167 258001131 /nfs/dbraw/zinc/00/11/31/258001131.db2.gz YERZZRPSSPYLCE-BHIYHBOVSA-N 1 0 346.515 4.463 10 0 EIAERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856599 258001154 /nfs/dbraw/zinc/00/11/54/258001154.db2.gz WJXVFKYBSHGCGK-CVYDXHPNSA-N 1 0 332.488 4.199 10 0 EIAERO CCCCc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000040173909 258003691 /nfs/dbraw/zinc/00/36/91/258003691.db2.gz QRVHZQLHILKZQV-IBGZPJMESA-N 1 0 335.451 4.019 10 0 EIAERO C[C@H]([NH3+])[C@@H](OCc1cccs1)c1ccccc1Br ZINC000043095595 518182684 /nfs/dbraw/zinc/18/26/84/518182684.db2.gz TYQMGPLIZQTDMG-IINYFYTJSA-N 1 0 326.259 4.116 10 0 EIAERO CCOC(=O)[C@H]1CCCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000055292305 563934317 /nfs/dbraw/zinc/93/43/17/563934317.db2.gz DYKVXIZNZZFFBY-OAQYLSRUSA-N 1 0 337.463 4.236 10 0 EIAERO C[C@@H](C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591143 563963260 /nfs/dbraw/zinc/96/32/60/563963260.db2.gz YERZZRPSSPYLCE-UHOSZYNNSA-N 1 0 346.515 4.463 10 0 EIAERO C[C@@H]1[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000068593243 563963272 /nfs/dbraw/zinc/96/32/72/563963272.db2.gz ILMMOMVUQUFKMT-ATIFRJIPSA-N 1 0 346.515 4.445 10 0 EIAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592881 563963279 /nfs/dbraw/zinc/96/32/79/563963279.db2.gz FWBIWXGKOUKNHP-CBZIJGRNSA-N 1 0 332.488 4.199 10 0 EIAERO FC1(F)CCC(CC[NH2+]Cc2cccnc2Br)CC1 ZINC000725269307 563987632 /nfs/dbraw/zinc/98/76/32/563987632.db2.gz PJRLIJIJYIYQLH-UHFFFAOYSA-N 1 0 333.220 4.149 10 0 EIAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cccc(Cl)c2Cl)C1 ZINC000675053542 564080346 /nfs/dbraw/zinc/08/03/46/564080346.db2.gz IXGZMADPYWQMGL-MFKMUULPSA-N 1 0 345.270 4.311 10 0 EIAERO Cc1sc(NCCC[NH+](C)C)nc1-c1ccc(OC(F)F)cc1 ZINC000014196721 564112311 /nfs/dbraw/zinc/11/23/11/564112311.db2.gz KHWIDHLXAJGBFI-UHFFFAOYSA-N 1 0 341.427 4.084 10 0 EIAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(N)=O)C2)s1 ZINC000328603126 564136832 /nfs/dbraw/zinc/13/68/32/564136832.db2.gz DWVREGKMUFOSIY-LBPRGKRZSA-N 1 0 346.500 4.032 10 0 EIAERO CCCn1nc(C)c(C[NH+]2CCC(c3nc(C)cs3)CC2)c1C ZINC000092787309 1039593606 /nfs/dbraw/zinc/59/36/06/1039593606.db2.gz PKPDCNCUYJBSQR-UHFFFAOYSA-N 1 0 332.517 4.054 10 0 EIAERO Cc1ncccc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387303 1039686611 /nfs/dbraw/zinc/68/66/11/1039686611.db2.gz MCIBVENXKIOPGT-LJQANCHMSA-N 1 0 332.451 4.160 10 0 EIAERO C[C@@H]([NH3+])[C@@H](OCC1CCCCC1)c1ccc(Br)s1 ZINC000052147820 214119312 /nfs/dbraw/zinc/11/93/12/214119312.db2.gz JEEBLXBOXYJTJE-QMTHXVAHSA-N 1 0 332.307 4.496 10 0 EIAERO CC[NH2+][C@@H](Cc1cc(Br)ccc1F)CC(F)(F)F ZINC000053832446 214200986 /nfs/dbraw/zinc/20/09/86/214200986.db2.gz PQSOSWQIKUHCJO-JTQLQIEISA-N 1 0 328.147 4.061 10 0 EIAERO CC[N@H+](CC[C@@H](N)c1ccccc1Br)C1CCCC1 ZINC000054017760 214211297 /nfs/dbraw/zinc/21/12/97/214211297.db2.gz XZMYQGYFVNMQCC-MRXNPFEDSA-N 1 0 325.294 4.104 10 0 EIAERO C[C@H]1CCN(c2cc(Br)ccc2C[NH2+]C(C)(C)C)C1 ZINC000062736626 214731268 /nfs/dbraw/zinc/73/12/68/214731268.db2.gz DGNSXTIEHNPNLW-LBPRGKRZSA-N 1 0 325.294 4.183 10 0 EIAERO CC[C@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1ccccn1 ZINC000055307581 214304388 /nfs/dbraw/zinc/30/43/88/214304388.db2.gz ZSPCQKOFZRMCBV-DZGCQCFKSA-N 1 0 337.286 4.415 10 0 EIAERO [NH3+]Cc1ccccc1COc1ccc(Br)cc1Cl ZINC000011945188 201820579 /nfs/dbraw/zinc/82/05/79/201820579.db2.gz JGRDCMSSUNEBHZ-UHFFFAOYSA-N 1 0 326.621 4.140 10 0 EIAERO COc1ccc2c(c1)C[C@H](CC1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000003789950 210074474 /nfs/dbraw/zinc/07/44/74/210074474.db2.gz JTEWUJTVAGRGLE-FQEVSTJZSA-N 1 0 349.474 4.353 10 0 EIAERO c1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCc4c5c(ccc43)OCO5)C2)cc1 ZINC000003794361 210074980 /nfs/dbraw/zinc/07/49/80/210074980.db2.gz HAEPGZUGYMHCJE-ROUUACIJSA-N 1 0 335.447 4.325 10 0 investigational EIAERO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2)c2ccc(Br)cc21 ZINC000019795879 202020792 /nfs/dbraw/zinc/02/07/92/202020792.db2.gz KUTKOWKJQBDPLF-CQSZACIVSA-N 1 0 337.648 4.123 10 0 EIAERO CC[C@@H]([NH3+])Cc1cccc(OCc2ccc(Br)s2)c1 ZINC000037726835 202032823 /nfs/dbraw/zinc/03/28/23/202032823.db2.gz JAYBEEVSPQFCSF-GFCCVEGCSA-N 1 0 340.286 4.369 10 0 EIAERO Cc1cc(Br)cc(C)c1NC1CC[NH+](C(C)C)CC1 ZINC000037772348 202035974 /nfs/dbraw/zinc/03/59/74/202035974.db2.gz BSWNXPCWSPJNNF-UHFFFAOYSA-N 1 0 325.294 4.351 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)cc1Cl ZINC000020521894 202047963 /nfs/dbraw/zinc/04/79/63/202047963.db2.gz JYBFIXDGMAYDMC-AWEZNQCLSA-N 1 0 326.621 4.159 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccccc2Br)cc1Cl ZINC000020521913 202048163 /nfs/dbraw/zinc/04/81/63/202048163.db2.gz MYAUWWISVANSFA-AWEZNQCLSA-N 1 0 326.621 4.159 10 0 EIAERO CCCOc1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020928856 202058022 /nfs/dbraw/zinc/05/80/22/202058022.db2.gz NZWGNJZDHBTGBX-UHFFFAOYSA-N 1 0 333.815 4.147 10 0 EIAERO CCCOc1c(C[NH2+]C2CCCC2)cc(Br)cc1OC ZINC000020934119 202058573 /nfs/dbraw/zinc/05/85/73/202058573.db2.gz PNPVODCETHNJSQ-UHFFFAOYSA-N 1 0 342.277 4.279 10 0 EIAERO [NH3+][C@H](Cc1ccccc1)c1nc(-c2ccc(Br)s2)c[nH]1 ZINC000038002345 202082329 /nfs/dbraw/zinc/08/23/29/202082329.db2.gz YNIHFSASZGZSIT-LLVKDONJSA-N 1 0 348.269 4.143 10 0 EIAERO COc1c(C)cnc(C[NH2+][C@H](C)c2cccc(Br)c2)c1C ZINC000038012608 202084080 /nfs/dbraw/zinc/08/40/80/202084080.db2.gz ZGTVAMJLQPCHPB-CYBMUJFWSA-N 1 0 349.272 4.320 10 0 EIAERO CN(CCc1ccc(Cl)c(Cl)c1)CC[NH+]1CCCCCC1 ZINC000022448836 202085873 /nfs/dbraw/zinc/08/58/73/202085873.db2.gz UPBDZILZTPVMPX-UHFFFAOYSA-N 1 0 329.315 4.344 10 0 EIAERO C[C@@H](c1ccccc1Br)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032484 202090476 /nfs/dbraw/zinc/09/04/76/202090476.db2.gz CPGXRZGJCRDNQM-LBPRGKRZSA-N 1 0 331.257 4.151 10 0 EIAERO Fc1ccc(-c2noc3c2C[N@H+](CCc2ccccc2)CC3)cc1F ZINC000023339336 202103379 /nfs/dbraw/zinc/10/33/79/202103379.db2.gz FOFMYLVQAGYGRJ-UHFFFAOYSA-N 1 0 340.373 4.221 10 0 EIAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000027537302 202156702 /nfs/dbraw/zinc/15/67/02/202156702.db2.gz JATSTOVETYZDJZ-MNOVXSKESA-N 1 0 338.785 4.296 10 0 EIAERO C[C@@]1(c2ccc(Br)cc2)C[N@H+](Cc2ccccc2)CCO1 ZINC000033883658 202269693 /nfs/dbraw/zinc/26/96/93/202269693.db2.gz VMUUMDUJNUXSBF-SFHVURJKSA-N 1 0 346.268 4.197 10 0 EIAERO O=C(OCC[N@@H+]1CCCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC000033875304 202270408 /nfs/dbraw/zinc/27/04/08/202270408.db2.gz RWROXLLAKDRYIK-NRFANRHFSA-N 1 0 337.463 4.331 10 0 EIAERO CCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034683081 202275077 /nfs/dbraw/zinc/27/50/77/202275077.db2.gz KWIMBXCNJVAGQT-UHFFFAOYSA-N 1 0 340.467 4.250 10 0 EIAERO C[NH2+][C@H](c1ccsc1)c1cc(Cl)cc(Br)c1OC ZINC000035457935 202304452 /nfs/dbraw/zinc/30/44/52/202304452.db2.gz FBIONMPZXNGSJO-GFCCVEGCSA-N 1 0 346.677 4.481 10 0 EIAERO C[NH2+][C@@H](c1sccc1C)c1cc(Br)ccc1OC ZINC000035455960 202305222 /nfs/dbraw/zinc/30/52/22/202305222.db2.gz GQIRYKLPCTUKKL-CYBMUJFWSA-N 1 0 326.259 4.136 10 0 EIAERO C[C@H](Cc1cccs1)[NH2+]CCOc1ccc(Br)cc1 ZINC000070141267 202308782 /nfs/dbraw/zinc/30/87/82/202308782.db2.gz ROQDNGVUDSPKCL-GFCCVEGCSA-N 1 0 340.286 4.110 10 0 EIAERO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1O ZINC000036348742 202322521 /nfs/dbraw/zinc/32/25/21/202322521.db2.gz FUEMXMKUIIZUMK-QFIPXVFZSA-N 1 0 348.446 4.198 10 0 EIAERO c1ccc(-c2cc(NC[C@H]3CCC[NH2+]C3)nc(-c3ccccc3)n2)cc1 ZINC000070456186 202335253 /nfs/dbraw/zinc/33/52/53/202335253.db2.gz YPMMZINTYBULEU-KRWDZBQOSA-N 1 0 344.462 4.222 10 0 EIAERO CC(C)[NH+]1CCC(Nc2ccc(Br)cc2Cl)CC1 ZINC000037392345 202340766 /nfs/dbraw/zinc/34/07/66/202340766.db2.gz ALCWXTMKIHDWCY-UHFFFAOYSA-N 1 0 331.685 4.387 10 0 EIAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC)cc1Br ZINC000037445164 202342977 /nfs/dbraw/zinc/34/29/77/202342977.db2.gz YATONUOODPOAQA-ZDUSSCGKSA-N 1 0 326.259 4.136 10 0 EIAERO CC[C@@H]([NH3+])c1ccccc1OCc1ccc(Br)s1 ZINC000037698592 202353597 /nfs/dbraw/zinc/35/35/97/202353597.db2.gz KJOBISORKGSXBK-GFCCVEGCSA-N 1 0 326.259 4.499 10 0 EIAERO CCc1nc(-c2ccc(Cl)cc2)nc(NCC2CC[NH2+]CC2)c1C ZINC000073684436 202370997 /nfs/dbraw/zinc/37/09/97/202370997.db2.gz QGRRQAOPQZZGIM-UHFFFAOYSA-N 1 0 344.890 4.079 10 0 EIAERO [NH3+]C[C@@H](Sc1ccccc1F)c1ccc(Br)cc1 ZINC000042958765 202504238 /nfs/dbraw/zinc/50/42/38/202504238.db2.gz VFBXXXDFPFXZGX-CQSZACIVSA-N 1 0 326.234 4.380 10 0 EIAERO OC1(c2ccccc2Cl)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000028878176 201387727 /nfs/dbraw/zinc/38/77/27/201387727.db2.gz UOVZXNPDZHFAHL-UHFFFAOYSA-N 1 0 340.854 4.305 10 0 EIAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1ccc(F)c(Cl)c1 ZINC000062792061 202801641 /nfs/dbraw/zinc/80/16/41/202801641.db2.gz KWZOLWUQDRIIRT-AWEZNQCLSA-N 1 0 328.612 4.484 10 0 EIAERO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000069515758 203011257 /nfs/dbraw/zinc/01/12/57/203011257.db2.gz NBVBAFSEEDQBGH-RMJOCGACSA-N 1 0 340.511 4.039 10 0 EIAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000071936946 203154161 /nfs/dbraw/zinc/15/41/61/203154161.db2.gz GFOUBRHVOJVBMB-GFCCVEGCSA-N 1 0 332.275 4.091 10 0 EIAERO c1cc2c(nc(NC3CCCC3)cc2-c2ccc3c(c2)C[NH2+]CC3)[nH]1 ZINC000072163559 203177802 /nfs/dbraw/zinc/17/78/02/203177802.db2.gz ARNAITNQTRRMLT-UHFFFAOYSA-N 1 0 332.451 4.230 10 0 EIAERO [NH3+][C@H](c1cc(Br)ccc1Br)C1CCCC1 ZINC000019969161 212091576 /nfs/dbraw/zinc/09/15/76/212091576.db2.gz TTXWOKIEDXNKEZ-LBPRGKRZSA-N 1 0 333.067 4.402 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1ccc(F)cc1 ZINC000019967865 212091400 /nfs/dbraw/zinc/09/14/00/212091400.db2.gz OWDBWWJQSUPRKX-CYBMUJFWSA-N 1 0 344.611 4.298 10 0 EIAERO Brc1ccccc1COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019803353 212070024 /nfs/dbraw/zinc/07/00/24/212070024.db2.gz JCFSDWRBGBXSDY-UHFFFAOYSA-N 1 0 344.252 4.405 10 0 EIAERO Cc1ccc([C@@H](C)[NH3+])c(OCc2cc(Br)cs2)c1 ZINC000104329887 204105011 /nfs/dbraw/zinc/10/50/11/204105011.db2.gz BQKDDWRLPSYBHI-SNVBAGLBSA-N 1 0 326.259 4.418 10 0 EIAERO COc1cccc([C@H](C[NH3+])Sc2ccccc2Br)c1 ZINC000043032479 204207376 /nfs/dbraw/zinc/20/73/76/204207376.db2.gz AWQNKTNAPSKSMH-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO [NH3+]C[C@H](Oc1ccc(Cl)cc1Br)c1ccccc1F ZINC000043047261 204208756 /nfs/dbraw/zinc/20/87/56/204208756.db2.gz WCRIKSJCODNMRA-AWEZNQCLSA-N 1 0 344.611 4.320 10 0 EIAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CCC(C)C ZINC000043092694 204211079 /nfs/dbraw/zinc/21/10/79/204211079.db2.gz OICUUZBYBKISPL-JKSUJKDBSA-N 1 0 327.310 4.205 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(C)C1CCCCC1 ZINC000043090740 204211932 /nfs/dbraw/zinc/21/19/32/204211932.db2.gz LZBGAMNWLOSYIS-WBMJQRKESA-N 1 0 325.294 4.102 10 0 EIAERO CC[C@H]([NH3+])[C@H](Sc1ccccn1)c1ccc(Br)cc1 ZINC000042958941 204184118 /nfs/dbraw/zinc/18/41/18/204184118.db2.gz KIOXRRHQQDBBFC-DZGCQCFKSA-N 1 0 337.286 4.415 10 0 EIAERO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@H+](CC)CC(C)C ZINC000042952936 204184571 /nfs/dbraw/zinc/18/45/71/204184571.db2.gz PAHCLFHSSSAGAU-JKSUJKDBSA-N 1 0 327.310 4.205 10 0 EIAERO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@H+](C)[C@@H](C)C(C)C ZINC000042953354 204185406 /nfs/dbraw/zinc/18/54/06/204185406.db2.gz FBKDUXAJKSSLKE-RCBQFDQVSA-N 1 0 327.310 4.204 10 0 EIAERO C[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)C1CCCCC1 ZINC000043020010 204198073 /nfs/dbraw/zinc/19/80/73/204198073.db2.gz WWIOJCFPRZVCKV-LRDDRELGSA-N 1 0 325.294 4.102 10 0 EIAERO C[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCCCCCC1 ZINC000043020224 204198489 /nfs/dbraw/zinc/19/84/89/204198489.db2.gz WCTUNRRCOMZBKW-XJKSGUPXSA-N 1 0 325.294 4.104 10 0 EIAERO CC[C@@H]1CCCCN1[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020329 204199119 /nfs/dbraw/zinc/19/91/19/204199119.db2.gz SAWASWJCCPMJNU-DAXOMENPSA-N 1 0 325.294 4.102 10 0 EIAERO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)CCC(C)C ZINC000043021234 204201190 /nfs/dbraw/zinc/20/11/90/204201190.db2.gz DPQSPRLPPDSMKA-CVEARBPZSA-N 1 0 327.310 4.205 10 0 EIAERO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(F)cc2)[C@@H]1Cc1ccccc1 ZINC000503719088 257830583 /nfs/dbraw/zinc/83/05/83/257830583.db2.gz XOPIBPXJLAEEGX-FCHUYYIVSA-N 1 0 340.486 4.352 10 0 EIAERO CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(C)C)C[C@H]1C ZINC000242648542 258000585 /nfs/dbraw/zinc/00/05/85/258000585.db2.gz QYXNEPIUJFMIRM-IAGOWNOFSA-N 1 0 326.525 4.246 10 0 EIAERO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1 ZINC000238856907 258001144 /nfs/dbraw/zinc/00/11/44/258001144.db2.gz XQHWJVYZQCZBNX-HPFXQQBRSA-N 1 0 332.488 4.056 10 0 EIAERO Cc1cc(C[N@H+]2CCCC[C@@H]2C)c(C)cc1I ZINC000675075524 564113133 /nfs/dbraw/zinc/11/31/33/564113133.db2.gz QWNBHMWOEYKUNS-ZDUSSCGKSA-N 1 0 343.252 4.282 10 0 EIAERO CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OCC ZINC000013721202 563716396 /nfs/dbraw/zinc/71/63/96/563716396.db2.gz SGTZOWZHDGTSKJ-UHFFFAOYSA-N 1 0 333.859 4.470 10 0 EIAERO CCOc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCC ZINC000013721848 563716830 /nfs/dbraw/zinc/71/68/30/563716830.db2.gz FXOBOEYKTWGNSI-UHFFFAOYSA-N 1 0 329.868 4.042 10 0 EIAERO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000013722414 563717255 /nfs/dbraw/zinc/71/72/55/563717255.db2.gz QPRXDTQZYJMZHA-UHFFFAOYSA-N 1 0 337.822 4.184 10 0 EIAERO CC[C@H](CO)[N@H+](Cc1cccs1)Cc1ccnc2ccccc12 ZINC000055342022 563934468 /nfs/dbraw/zinc/93/44/68/563934468.db2.gz JWUPNEVVPDQSPK-MRXNPFEDSA-N 1 0 326.465 4.069 10 0 EIAERO C[C@@H]1C(NC(=O)OC(C)(C)C)[C@@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592748 563963255 /nfs/dbraw/zinc/96/32/55/563963255.db2.gz YASBDTKCNDHYRQ-VPQNOXPISA-N 1 0 346.515 4.445 10 0 EIAERO CN1C[C@@H]2C[C@@H](c3ccc(C4CCCCC4)s3)[N@@H+]3CCC[C@@]23C1=O ZINC000015070744 564053255 /nfs/dbraw/zinc/05/32/55/564053255.db2.gz HEJHKQIXOXEJEN-FTRWYGJKSA-N 1 0 344.524 4.163 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Cl)c1Cl ZINC000675053580 564080546 /nfs/dbraw/zinc/08/05/46/564080546.db2.gz JBNSENWEBGVYPG-ZWNOBZJWSA-N 1 0 345.270 4.393 10 0 EIAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000675055703 564111903 /nfs/dbraw/zinc/11/19/03/564111903.db2.gz WUHYLLHABIQYBM-BXUZGUMPSA-N 1 0 345.270 4.311 10 0 EIAERO O=C(NCC1CC1)[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000106610577 564177304 /nfs/dbraw/zinc/17/73/04/564177304.db2.gz YMOSAYYMOZAAQK-YADHBBJMSA-N 1 0 348.490 4.166 10 0 EIAERO Cc1ccc(C(C)(C)C)c(O[C@H](C[NH3+])C(F)(F)C(F)(F)F)c1 ZINC000616569160 564177321 /nfs/dbraw/zinc/17/73/21/564177321.db2.gz IPAXPMDLBGDFIP-GFCCVEGCSA-N 1 0 325.321 4.196 10 0 EIAERO CC(C)(C)[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccs1 ZINC000122922895 1031169288 /nfs/dbraw/zinc/16/92/88/1031169288.db2.gz BTPRPHCMEPOIHC-QGZVFWFLSA-N 1 0 349.544 4.105 10 0 EIAERO O=C([C@H]1C[C@H]1c1cccc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000107589488 1031282230 /nfs/dbraw/zinc/28/22/30/1031282230.db2.gz YGDNWWUMNAJBBN-VXKWHMMOSA-N 1 0 348.490 4.030 10 0 EIAERO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000084598091 1038795078 /nfs/dbraw/zinc/79/50/78/1038795078.db2.gz FIBBWSHRPKJHQF-QGZVFWFLSA-N 1 0 336.479 4.030 10 0 EIAERO Cc1csc(C2CC[NH+](Cc3c(C)nc4sc(C)cn34)CC2)n1 ZINC000092787484 1039590269 /nfs/dbraw/zinc/59/02/69/1039590269.db2.gz FLYKDYKJDPDXDK-UHFFFAOYSA-N 1 0 346.525 4.157 10 0 EIAERO Clc1ccc(-c2noc([C@H]3CCC[N@H+](Cc4cc[nH]c4)C3)n2)cc1 ZINC000092966556 1039610131 /nfs/dbraw/zinc/61/01/31/1039610131.db2.gz NGJHHQJQUOHWCP-HNNXBMFYSA-N 1 0 342.830 4.098 10 0 EIAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000076389469 1045893514 /nfs/dbraw/zinc/89/35/14/1045893514.db2.gz KKWHJZDLIDEENK-YJBOKZPZSA-N 1 0 349.434 4.123 10 0 EIAERO CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000076988617 1045925492 /nfs/dbraw/zinc/92/54/92/1045925492.db2.gz LWQFURPLXRKOLH-NHCUHLMSSA-N 1 0 340.511 4.000 10 0 EIAERO C[C@@H]([NH3+])[C@H](OCC1CCCCC1)c1ccc(Br)s1 ZINC000052147814 214119347 /nfs/dbraw/zinc/11/93/47/214119347.db2.gz JEEBLXBOXYJTJE-YGRLFVJLSA-N 1 0 332.307 4.496 10 0 EIAERO CC[NH2+][C@H](Cc1cc(Br)ccc1F)CC(F)(F)F ZINC000053832448 214201355 /nfs/dbraw/zinc/20/13/55/214201355.db2.gz PQSOSWQIKUHCJO-SNVBAGLBSA-N 1 0 328.147 4.061 10 0 EIAERO C[NH2+][C@H](Cc1sccc1Br)c1ccc(F)c(C)c1 ZINC000053829762 214201759 /nfs/dbraw/zinc/20/17/59/214201759.db2.gz OQPQKXRHJADKCD-CYBMUJFWSA-N 1 0 328.250 4.461 10 0 EIAERO CCC[NH2+][C@@H](Cc1cc(Br)cs1)c1ccccn1 ZINC000053821857 214199688 /nfs/dbraw/zinc/19/96/88/214199688.db2.gz NHDRZAMGZOZAKP-AWEZNQCLSA-N 1 0 325.275 4.189 10 0 EIAERO CCC[NH2+][C@H](Cc1ccc(Br)s1)c1cccnc1 ZINC000053822146 214200255 /nfs/dbraw/zinc/20/02/55/214200255.db2.gz IBIDLEVTMRARKJ-CYBMUJFWSA-N 1 0 325.275 4.189 10 0 EIAERO CCC[N@H+](CC)CC[C@H](NCC)c1cccc(Br)c1 ZINC000053938864 214206472 /nfs/dbraw/zinc/20/64/72/214206472.db2.gz BSXAPVAHJPHSMC-INIZCTEOSA-N 1 0 327.310 4.222 10 0 EIAERO CC[NH2+]CC1(CCOc2cccc(Br)c2)CCCC1 ZINC000054655568 214249055 /nfs/dbraw/zinc/24/90/55/214249055.db2.gz LSVRYDHYWPKEPH-UHFFFAOYSA-N 1 0 326.278 4.388 10 0 EIAERO C[NH2+][C@H](Cc1cc(Br)cs1)Cc1cc(F)cc(F)c1 ZINC000060696332 214645747 /nfs/dbraw/zinc/64/57/47/214645747.db2.gz ZPLMOEHWOXHAJY-ZDUSSCGKSA-N 1 0 346.240 4.162 10 0 EIAERO CC[N@H+]([C@H](CN)c1ccc(Br)s1)C1CCCCC1 ZINC000019475384 202009236 /nfs/dbraw/zinc/00/92/36/202009236.db2.gz RTCJOHXIKUBUSK-GFCCVEGCSA-N 1 0 331.323 4.165 10 0 EIAERO CC[C@H]([NH3+])Cc1cc(Br)ccc1OCc1cccs1 ZINC000037725456 202033062 /nfs/dbraw/zinc/03/30/62/202033062.db2.gz PRNGITGRXDDVPU-ZDUSSCGKSA-N 1 0 340.286 4.369 10 0 EIAERO CCc1ccc(-c2csc3ncnc(NC4CC[NH2+]CC4)c23)cc1 ZINC000020321816 202038413 /nfs/dbraw/zinc/03/84/13/202038413.db2.gz PKNMNDUDWBPJHM-UHFFFAOYSA-N 1 0 338.480 4.085 10 0 EIAERO Cc1ccc(COc2ccc(Cl)cc2CNCCC[NH+](C)C)cc1 ZINC000020875146 202057242 /nfs/dbraw/zinc/05/72/42/202057242.db2.gz JJNHBBZLXRTUKW-UHFFFAOYSA-N 1 0 346.902 4.269 10 0 EIAERO CCCOc1ccc(Cl)cc1C[NH2+]CCc1ccc(OC)cc1 ZINC000020928896 202058133 /nfs/dbraw/zinc/05/81/33/202058133.db2.gz WWUOLCTYSXVRAV-UHFFFAOYSA-N 1 0 333.859 4.470 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]Cc2ccncc2)cc1OCC ZINC000020932147 202058532 /nfs/dbraw/zinc/05/85/32/202058532.db2.gz GVVHZMVNOSVPLY-UHFFFAOYSA-N 1 0 334.847 4.212 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]CCCOC(C)C)cc1OCC ZINC000020932177 202058797 /nfs/dbraw/zinc/05/87/97/202058797.db2.gz WZPIWSNIDVDYBZ-UHFFFAOYSA-N 1 0 343.895 4.432 10 0 EIAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1Br ZINC000038009417 202082513 /nfs/dbraw/zinc/08/25/13/202082513.db2.gz ZFRFODNRTVSQJP-TZMCWYRMSA-N 1 0 332.241 4.103 10 0 EIAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(Br)cc1 ZINC000038009311 202082527 /nfs/dbraw/zinc/08/25/27/202082527.db2.gz ZGNSYDGIACKUSG-MLGOLLRUSA-N 1 0 332.241 4.103 10 0 EIAERO C[C@]([NH2+]C1CCCCCC1)(C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000037972335 202070454 /nfs/dbraw/zinc/07/04/54/202070454.db2.gz KOIAVIKKMRQKED-MRXNPFEDSA-N 1 0 329.271 4.006 10 0 EIAERO C[C@@]([NH2+]C1CCCCCC1)(C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000037972336 202070643 /nfs/dbraw/zinc/07/06/43/202070643.db2.gz KOIAVIKKMRQKED-INIZCTEOSA-N 1 0 329.271 4.006 10 0 EIAERO C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC000037984424 202076112 /nfs/dbraw/zinc/07/61/12/202076112.db2.gz ZNQAQQGZUUUVTR-CHWSQXEVSA-N 1 0 347.256 4.127 10 0 EIAERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1cccc(Br)c1 ZINC000037984422 202076635 /nfs/dbraw/zinc/07/66/35/202076635.db2.gz ZNQAQQGZUUUVTR-OLZOCXBDSA-N 1 0 347.256 4.127 10 0 EIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000022936741 202094590 /nfs/dbraw/zinc/09/45/90/202094590.db2.gz GVGOBMSFIXOZHW-NRFANRHFSA-N 1 0 338.495 4.148 10 0 EIAERO C[C@@H](CCCC(C)(C)O)CC[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000032498407 202225315 /nfs/dbraw/zinc/22/53/15/202225315.db2.gz XNPQGEQXEXRKQP-IBGZPJMESA-N 1 0 347.543 4.292 10 0 EIAERO [NH3+][C@H](Cc1ccc2ccccc2n1)c1ccc(Br)cc1 ZINC000034940455 202282972 /nfs/dbraw/zinc/28/29/72/202282972.db2.gz JYXOZIFRBZOVDH-MRXNPFEDSA-N 1 0 327.225 4.240 10 0 EIAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])c1sccc1C ZINC000035081850 202286224 /nfs/dbraw/zinc/28/62/24/202286224.db2.gz OMGBDUQEKVIFIU-CYBMUJFWSA-N 1 0 326.259 4.266 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1ccsc1 ZINC000035379847 202300554 /nfs/dbraw/zinc/30/05/54/202300554.db2.gz FISVNPDYWWQQQO-NSHDSACASA-N 1 0 332.650 4.221 10 0 EIAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC)c(Br)c1 ZINC000035455016 202302844 /nfs/dbraw/zinc/30/28/44/202302844.db2.gz CGAOVFAJOMHODI-CYBMUJFWSA-N 1 0 326.259 4.136 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)s2)c(Cl)c1 ZINC000036767765 202332176 /nfs/dbraw/zinc/33/21/76/202332176.db2.gz BNFIDLHBMZYOBV-GFCCVEGCSA-N 1 0 332.650 4.221 10 0 EIAERO [NH3+]C[C@@H](Oc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000042948295 202504935 /nfs/dbraw/zinc/50/49/35/202504935.db2.gz VDABORKAOUNWRG-CQSZACIVSA-N 1 0 326.621 4.181 10 0 EIAERO CC[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003607706 201360639 /nfs/dbraw/zinc/36/06/39/201360639.db2.gz FPAVJVKMXWGLPJ-VXKWHMMOSA-N 1 0 339.479 4.159 10 0 EIAERO C[C@H]([NH3+])[C@H](SCc1ccco1)c1cccc(Br)c1 ZINC000043024768 202506197 /nfs/dbraw/zinc/50/61/97/202506197.db2.gz JTXRBKUNRBMANW-HZMBPMFUSA-N 1 0 326.259 4.364 10 0 EIAERO Oc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1Br ZINC000057901581 202732070 /nfs/dbraw/zinc/73/20/70/202732070.db2.gz GTKXQAUKLLQJMT-UHFFFAOYSA-N 1 0 326.621 4.098 10 0 EIAERO Fc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000070456566 203076563 /nfs/dbraw/zinc/07/65/63/203076563.db2.gz YHOJMKMTMOBAIP-SFHVURJKSA-N 1 0 348.425 4.114 10 0 EIAERO c1ccc2c(c1)nc(-c1cccnc1)cc2NCC[NH+]1CCCCC1 ZINC000253495292 244005176 /nfs/dbraw/zinc/00/51/76/244005176.db2.gz VQUUIAWNCRRMQS-UHFFFAOYSA-N 1 0 332.451 4.195 10 0 EIAERO [NH3+][C@@H](CC(F)(F)F)c1cc(Br)ccc1Br ZINC000019969157 212091373 /nfs/dbraw/zinc/09/13/73/212091373.db2.gz RJHDOYMLIVKKAH-QMMMGPOBSA-N 1 0 346.972 4.164 10 0 EIAERO CC(=O)c1nc2ccccc2n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000095082725 203711901 /nfs/dbraw/zinc/71/19/01/203711901.db2.gz DOAAERLYPLMXKA-UHFFFAOYSA-N 1 0 347.462 4.151 10 0 EIAERO CC[NH2+][C@@H](C)c1ccc(SCCCOC)c(Br)c1 ZINC000104438327 204109085 /nfs/dbraw/zinc/10/90/85/204109085.db2.gz KUEFHBGAOZOYGT-NSHDSACASA-N 1 0 332.307 4.248 10 0 EIAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccccc1Br ZINC000043095144 204210313 /nfs/dbraw/zinc/21/03/13/204210313.db2.gz ZWTQSYGRYUPZGJ-BRXULGCHSA-N 1 0 326.278 4.433 10 0 EIAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)Cc1cccs1 ZINC000043091551 204210969 /nfs/dbraw/zinc/21/09/69/204210969.db2.gz GZKWENKYZITHMZ-NHYWBVRUSA-N 1 0 339.302 4.031 10 0 EIAERO C[C@@H]([NH3+])[C@H](c1cccs1)N(C)Cc1ccc(Br)cc1 ZINC000043105203 204213409 /nfs/dbraw/zinc/21/34/09/204213409.db2.gz OJZQYMUFSAGFCY-IAQYHMDHSA-N 1 0 339.302 4.031 10 0 EIAERO CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[C@@H]1CC ZINC000042954028 204184906 /nfs/dbraw/zinc/18/49/06/204184906.db2.gz TUJYGASFLJMCAC-XHSDSOJGSA-N 1 0 325.294 4.102 10 0 EIAERO C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)Cc1cccs1 ZINC000042953155 204185384 /nfs/dbraw/zinc/18/53/84/204185384.db2.gz UTAWKRKENSEUNG-NHYWBVRUSA-N 1 0 339.302 4.031 10 0 EIAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1Br)c1cccc(F)c1 ZINC000042973649 204190495 /nfs/dbraw/zinc/19/04/95/204190495.db2.gz LSYFJIAOENRHOR-CQSZACIVSA-N 1 0 344.611 4.320 10 0 EIAERO COc1cccc(S[C@H](C[NH3+])c2cccc(Br)c2)c1 ZINC000043024307 204196232 /nfs/dbraw/zinc/19/62/32/204196232.db2.gz NUESVLBZFZFVEE-OAHLLOKOSA-N 1 0 338.270 4.250 10 0 EIAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N1CCCC[C@@H]1C ZINC000043019820 204198765 /nfs/dbraw/zinc/19/87/65/204198765.db2.gz PPSUIUVIJPZVPI-APHBMKBZSA-N 1 0 325.294 4.102 10 0 EIAERO C[C@@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1cccc(Br)c1 ZINC000043022961 204202259 /nfs/dbraw/zinc/20/22/59/204202259.db2.gz OVCYHKIWFWBXOG-RGODHZJXSA-N 1 0 326.278 4.433 10 0 EIAERO Cc1cc(Cl)ccc1O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022758 204202609 /nfs/dbraw/zinc/20/26/09/204202609.db2.gz FYYHQJSAUZJHNO-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO C[NH2+]C[C@H](OC1CCC(C)CC1)c1cccc(Br)c1 ZINC000050490894 204615461 /nfs/dbraw/zinc/61/54/61/204615461.db2.gz YBMUVMQCRBYRLX-MOQPWLNLSA-N 1 0 326.278 4.305 10 0 EIAERO CC[NH2+]C[C@@H](CCOC(C)C)Cc1ccccc1Br ZINC000052979937 206206721 /nfs/dbraw/zinc/20/67/21/206206721.db2.gz CAFVWSDEBHYZCR-AWEZNQCLSA-N 1 0 328.294 4.032 10 0 EIAERO COCC[C@H](C[NH2+]C(C)(C)C)Cc1ccccc1Br ZINC000052980074 206207296 /nfs/dbraw/zinc/20/72/96/206207296.db2.gz BIWYEVYKLZGYOB-ZDUSSCGKSA-N 1 0 328.294 4.032 10 0 EIAERO CC[NH2+][C@@H](C)[C@@H](Cc1cc(Br)ccc1OC)C(C)C ZINC000103942890 206478917 /nfs/dbraw/zinc/47/89/17/206478917.db2.gz WETFCNOVWJYUKK-WFASDCNBSA-N 1 0 328.294 4.270 10 0 EIAERO CCC(C)(C)[NH2+]C[C@H](C)N(C)Cc1ccc(Br)cc1 ZINC000053498500 207185252 /nfs/dbraw/zinc/18/52/52/207185252.db2.gz GXSTXMVLIQYINW-ZDUSSCGKSA-N 1 0 327.310 4.048 10 0 EIAERO Cc1c(C[NH2+]C[C@@H](C)O)c2ccccc2n1Cc1ccccc1Cl ZINC000010315551 563646903 /nfs/dbraw/zinc/64/69/03/563646903.db2.gz UOQBTLFMEPFNGU-CQSZACIVSA-N 1 0 342.870 4.122 10 0 EIAERO CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OC(C)C ZINC000036824793 563647149 /nfs/dbraw/zinc/64/71/49/563647149.db2.gz BIRPKLPTFRLIKN-UHFFFAOYSA-N 1 0 330.266 4.133 10 0 EIAERO CCOc1c(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)cc1OC ZINC000010475392 563648323 /nfs/dbraw/zinc/64/83/23/563648323.db2.gz WAORMVKRAPEZID-UHFFFAOYSA-N 1 0 335.831 4.046 10 0 EIAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCCc1ccccc1 ZINC000013724416 563717958 /nfs/dbraw/zinc/71/79/58/563717958.db2.gz BRLAPHGLBXFFNQ-UHFFFAOYSA-N 1 0 327.468 4.452 10 0 EIAERO CC(C)C[N@H+](Cc1ccc(-c2cncnc2)cc1)Cc1ccccn1 ZINC000055120557 563933784 /nfs/dbraw/zinc/93/37/84/563933784.db2.gz WVWHEHKBMHKMIF-UHFFFAOYSA-N 1 0 332.451 4.197 10 0 EIAERO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000038883702 564042984 /nfs/dbraw/zinc/04/29/84/564042984.db2.gz MSAFCEWTMBDBFQ-GHTZIAJQSA-N 1 0 336.479 4.340 10 0 in-vitro EIAERO Cc1ccccc1Oc1ncccc1C[NH2+]Cc1ccc2nonc2c1 ZINC000015077207 564053246 /nfs/dbraw/zinc/05/32/46/564053246.db2.gz HYVSKKFFMQRHIN-UHFFFAOYSA-N 1 0 346.390 4.008 10 0 EIAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000190430625 564060977 /nfs/dbraw/zinc/06/09/77/564060977.db2.gz VBKKHBVNXCQSJW-WMZOPIPTSA-N 1 0 341.480 4.128 10 0 EIAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000675054269 564081140 /nfs/dbraw/zinc/08/11/40/564081140.db2.gz MPUWZIMGXDZBQC-UONOGXRCSA-N 1 0 345.270 4.311 10 0 EIAERO Cc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000122874842 1031081841 /nfs/dbraw/zinc/08/18/41/1031081841.db2.gz UKZQYXUZPKLBIO-UVFQYZLESA-N 1 0 343.540 4.321 10 0 EIAERO CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000076988611 1045924094 /nfs/dbraw/zinc/92/40/94/1045924094.db2.gz LWQFURPLXRKOLH-SFTDATJTSA-N 1 0 340.511 4.000 10 0 EIAERO CC[NH2+][C@H](C)c1cc(Br)ccc1OCC(F)(F)F ZINC000052067323 214115090 /nfs/dbraw/zinc/11/50/90/214115090.db2.gz AXHMBZBUAYHCQC-MRVPVSSYSA-N 1 0 326.156 4.061 10 0 EIAERO C[C@H]([NH3+])[C@@H](OCC1CCCCC1)c1ccc(Br)s1 ZINC000052147817 214119034 /nfs/dbraw/zinc/11/90/34/214119034.db2.gz JEEBLXBOXYJTJE-IINYFYTJSA-N 1 0 332.307 4.496 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(Br)s1)c1ccc(F)c(C)c1 ZINC000053829685 214201015 /nfs/dbraw/zinc/20/10/15/214201015.db2.gz YQKAAMJHSJTQDP-ZDUSSCGKSA-N 1 0 328.250 4.461 10 0 EIAERO C[NH2+][C@@H](Cc1sccc1Br)c1ccc(F)c(C)c1 ZINC000053829764 214201312 /nfs/dbraw/zinc/20/13/12/214201312.db2.gz OQPQKXRHJADKCD-ZDUSSCGKSA-N 1 0 328.250 4.461 10 0 EIAERO CCOc1cccc([C@H](Cc2sccc2Br)[NH2+]C)c1 ZINC000053788982 214199250 /nfs/dbraw/zinc/19/92/50/214199250.db2.gz QOGWUSSEDVZBHM-AWEZNQCLSA-N 1 0 340.286 4.413 10 0 EIAERO C[N@H+](CC[C@@H](N)c1cccc(Br)c1)C1CCCCC1 ZINC000053938398 214205836 /nfs/dbraw/zinc/20/58/36/214205836.db2.gz RHHZUXSZASDARE-MRXNPFEDSA-N 1 0 325.294 4.104 10 0 EIAERO COc1ccc(CC(C)(C)C[NH2+]CC(C)C)cc1Br ZINC000054638619 214246918 /nfs/dbraw/zinc/24/69/18/214246918.db2.gz YMLVEMLAMJZOCB-UHFFFAOYSA-N 1 0 328.294 4.272 10 0 EIAERO CC[C@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1ccccn1 ZINC000055307577 214304220 /nfs/dbraw/zinc/30/42/20/214304220.db2.gz ZSPCQKOFZRMCBV-ZFWWWQNUSA-N 1 0 337.286 4.415 10 0 EIAERO CCOc1cc(Br)c([C@@H]([NH3+])C2CCC2)cc1OCC ZINC000036926278 201815588 /nfs/dbraw/zinc/81/55/88/201815588.db2.gz IGFJKDMIABJKAO-HNNXBMFYSA-N 1 0 328.250 4.046 10 0 EIAERO Cc1cccc(NC(=O)CCC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000015061716 201948251 /nfs/dbraw/zinc/94/82/51/201948251.db2.gz JTJRRQXSVFSNMU-UHFFFAOYSA-N 1 0 346.540 4.321 10 0 EIAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccccc1Br ZINC000019432798 202007936 /nfs/dbraw/zinc/00/79/36/202007936.db2.gz GSEKFRSQPCOLHU-ZDUSSCGKSA-N 1 0 341.046 4.260 10 0 EIAERO c1ccc(-c2n[nH]c3c2C[N@H+](Cc2cccc4cccnc42)CC3)cc1 ZINC000020202128 202035832 /nfs/dbraw/zinc/03/58/32/202035832.db2.gz UYMLUSSFKYSHKF-UHFFFAOYSA-N 1 0 340.430 4.183 10 0 EIAERO CCOc1ccc(C[NH2+]CCc2ccccc2)cc1Br ZINC000020476685 202044459 /nfs/dbraw/zinc/04/44/59/202044459.db2.gz ITNOQDYXMZIQBI-UHFFFAOYSA-N 1 0 334.257 4.180 10 0 EIAERO CCCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1OCC ZINC000020933353 202058829 /nfs/dbraw/zinc/05/88/29/202058829.db2.gz GYEFIGLQDGHYBG-UHFFFAOYSA-N 1 0 343.467 4.215 10 0 EIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(OC)c(Br)c1 ZINC000038074090 202098005 /nfs/dbraw/zinc/09/80/05/202098005.db2.gz FPCDLNDRPOXSKZ-OAHLLOKOSA-N 1 0 340.286 4.445 10 0 EIAERO Cn1cc(C[NH2+]Cc2ccc3ncccc3c2)c(-c2ccccc2F)n1 ZINC000023159164 202098826 /nfs/dbraw/zinc/09/88/26/202098826.db2.gz ABVUBJKNDKFXRE-UHFFFAOYSA-N 1 0 346.409 4.064 10 0 EIAERO C[NH+]1CCC2(CN(c3ccccc3N)c3cc(Cl)ccc32)CC1 ZINC000028108001 202165690 /nfs/dbraw/zinc/16/56/90/202165690.db2.gz WDIVQBOMJZSYDO-UHFFFAOYSA-N 1 0 327.859 4.037 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2Br)c(Cl)c1 ZINC000036767693 213116822 /nfs/dbraw/zinc/11/68/22/213116822.db2.gz ZIXPYWFKFJFIAN-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO Brc1csc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000035012824 202283946 /nfs/dbraw/zinc/28/39/46/202283946.db2.gz QGEHQNRATXGTDI-UHFFFAOYSA-N 1 0 326.303 4.425 10 0 EIAERO CC[N@H+](Cc1ccc(Br)s1)Cc1cccc(N)c1 ZINC000035064334 202286622 /nfs/dbraw/zinc/28/66/22/202286622.db2.gz KADHRNXJDVVSFP-UHFFFAOYSA-N 1 0 325.275 4.115 10 0 EIAERO CCOc1ccc(Br)cc1[C@H](CC(F)(F)F)[NH2+]C ZINC000035505960 202305999 /nfs/dbraw/zinc/30/59/99/202305999.db2.gz ZGHZLBPKLNVVMP-JTQLQIEISA-N 1 0 326.156 4.061 10 0 EIAERO Cc1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000070456410 202336043 /nfs/dbraw/zinc/33/60/43/202336043.db2.gz UAIUWLCCDDIEFY-IBGZPJMESA-N 1 0 344.462 4.283 10 0 EIAERO c1ccc2oc(Oc3ccc(OCC[NH+]4CCCCC4)cc3)nc2c1 ZINC000036377694 202323954 /nfs/dbraw/zinc/32/39/54/202323954.db2.gz ZIQGASWXUSSORV-UHFFFAOYSA-N 1 0 338.407 4.485 10 0 in-vivo EIAERO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc(Br)s1)N(C)C ZINC000038002139 202383454 /nfs/dbraw/zinc/38/34/54/202383454.db2.gz VRQPWZGCYSRDBF-NEPJUHHUSA-N 1 0 333.339 4.138 10 0 EIAERO CCC(C)(C)c1ccc(C(=O)[C@H](C)CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000083312309 201368128 /nfs/dbraw/zinc/36/81/28/201368128.db2.gz XMHJYUPEQOVPHC-ZACQAIPSSA-N 1 0 331.500 4.302 10 0 EIAERO O=C(OCC[NH+]1CCCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000000000647 201357605 /nfs/dbraw/zinc/35/76/05/201357605.db2.gz RBGWIGCQQIJVGI-OAQYLSRUSA-N 1 0 349.474 4.022 10 0 in-man EIAERO O[C@H]1CCC[N@@H+](C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000090715514 201373676 /nfs/dbraw/zinc/37/36/76/201373676.db2.gz ASSFHQSRAWZCQR-QHCPKHFHSA-N 1 0 343.470 4.435 10 0 EIAERO C[C@H]([NH3+])[C@H](OCc1cccs1)c1ccccc1Br ZINC000043095591 202507377 /nfs/dbraw/zinc/50/73/77/202507377.db2.gz TYQMGPLIZQTDMG-HZMBPMFUSA-N 1 0 326.259 4.116 10 0 EIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000022936493 212337853 /nfs/dbraw/zinc/33/78/53/212337853.db2.gz NXOAWLISDJTISZ-GOSISDBHSA-N 1 0 335.495 4.388 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2Cl)cc1Br ZINC000020522117 212143933 /nfs/dbraw/zinc/14/39/33/212143933.db2.gz CFTXICQFVVFXRQ-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO COc1cc(Br)c([C@H]([NH3+])C2CCCCC2)cc1OC ZINC000020426310 212128282 /nfs/dbraw/zinc/12/82/82/212128282.db2.gz BCSSJFOBZIGNFH-OAHLLOKOSA-N 1 0 328.250 4.046 10 0 EIAERO C[C@H]([NH2+]C1CCC(O)CC1)c1cc2cc(Br)ccc2o1 ZINC000019918911 212083740 /nfs/dbraw/zinc/08/37/40/212083740.db2.gz QVFBGPATMSQZRO-FNBIGBAISA-N 1 0 338.245 4.149 10 0 EIAERO COc1ccc(CC[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000019907346 212081517 /nfs/dbraw/zinc/08/15/17/212081517.db2.gz HKFPYZCYALOQPM-ZDUSSCGKSA-N 1 0 334.257 4.351 10 0 EIAERO Brc1ccc(COc2ccc(C3=CC[NH2+]CC3)cc2)cc1 ZINC000019803098 212070306 /nfs/dbraw/zinc/07/03/06/212070306.db2.gz WAFQNLVBBWLSHA-UHFFFAOYSA-N 1 0 344.252 4.405 10 0 EIAERO CCCNc1cc(CC)[nH+]c2c(I)cccc12 ZINC000103972638 204090734 /nfs/dbraw/zinc/09/07/34/204090734.db2.gz YBKQOUYRHAGTGU-UHFFFAOYSA-N 1 0 340.208 4.224 10 0 EIAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCCC[C@@H]1C)c1ccccc1Br ZINC000043094713 204210213 /nfs/dbraw/zinc/21/02/13/204210213.db2.gz MQSOCGYIOSHJRF-UAXWRAGISA-N 1 0 326.278 4.433 10 0 EIAERO Cc1ccc(O[C@H](C[NH3+])c2ccccc2Cl)c(Br)c1 ZINC000043088043 204211918 /nfs/dbraw/zinc/21/19/18/204211918.db2.gz BEMOBWGKZUPIOD-OAHLLOKOSA-N 1 0 340.648 4.490 10 0 EIAERO Cc1cc(Cl)ccc1O[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957019 204182903 /nfs/dbraw/zinc/18/29/03/204182903.db2.gz CNDOYRIQOZABCG-OAHLLOKOSA-N 1 0 340.648 4.490 10 0 EIAERO C[C@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1ccc(Br)cc1 ZINC000042957305 204183042 /nfs/dbraw/zinc/18/30/42/204183042.db2.gz SCGDFQDLVBJUEC-UURUTEADSA-N 1 0 326.278 4.433 10 0 EIAERO COc1ccccc1S[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042959857 204184887 /nfs/dbraw/zinc/18/48/87/204184887.db2.gz JEKCCZGCJFKDBR-OAHLLOKOSA-N 1 0 338.270 4.250 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)Cc1cccs1 ZINC000042953158 204185869 /nfs/dbraw/zinc/18/58/69/204185869.db2.gz UTAWKRKENSEUNG-ABAIWWIYSA-N 1 0 339.302 4.031 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(C)Cc1ccsc1 ZINC000042953182 204185956 /nfs/dbraw/zinc/18/59/56/204185956.db2.gz OKBUCVXCILFHIV-ABAIWWIYSA-N 1 0 339.302 4.031 10 0 EIAERO [NH3+]C[C@H](Oc1ccc(Br)cc1Cl)c1cccc(F)c1 ZINC000042973956 204189966 /nfs/dbraw/zinc/18/99/66/204189966.db2.gz XJPZSTWLCNUUIK-AWEZNQCLSA-N 1 0 344.611 4.320 10 0 EIAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCCCCC1 ZINC000043019871 204198065 /nfs/dbraw/zinc/19/80/65/204198065.db2.gz KKSYXGXZRLHLCI-HOTGVXAUSA-N 1 0 325.294 4.104 10 0 EIAERO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020338 204198776 /nfs/dbraw/zinc/19/87/76/204198776.db2.gz PJEHFNSEODPHMU-JKSUJKDBSA-N 1 0 325.294 4.102 10 0 EIAERO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C(C)C ZINC000043020639 204199018 /nfs/dbraw/zinc/19/90/18/204199018.db2.gz OCELTFWQVWIQLL-VBNZEHGJSA-N 1 0 327.310 4.204 10 0 EIAERO CC[C@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022974 204202028 /nfs/dbraw/zinc/20/20/28/204202028.db2.gz IIHCDQIVMWAWSQ-RCBQFDQVSA-N 1 0 326.278 4.434 10 0 EIAERO C[NH2+][C@H]1CCCCC[C@H]1Cc1cc(Br)ccc1OC ZINC000043650753 204286941 /nfs/dbraw/zinc/28/69/41/204286941.db2.gz RUPYYTPNHNGRBF-WFASDCNBSA-N 1 0 326.278 4.169 10 0 EIAERO C[NH2+]C[C@H](Cc1cc(Br)cs1)Cc1ccccc1C ZINC000052978703 206206347 /nfs/dbraw/zinc/20/63/47/206206347.db2.gz AZWDCXVSJMPOMS-ZDUSSCGKSA-N 1 0 338.314 4.440 10 0 EIAERO C[NH2+]C[C@@H](Cc1ccc(Br)s1)Cc1cccc(F)c1 ZINC000052976881 206202292 /nfs/dbraw/zinc/20/22/92/206202292.db2.gz FVOQMGCMZXDHGQ-GFCCVEGCSA-N 1 0 342.277 4.271 10 0 EIAERO CCC[NH2+][C@H](Cc1cc(Br)ccc1OC)CC(C)C ZINC000103951547 206479281 /nfs/dbraw/zinc/47/92/81/206479281.db2.gz LIXUMJQGIREVNY-HNNXBMFYSA-N 1 0 328.294 4.415 10 0 EIAERO CCCCCCOc1ncc(Br)cc1C[NH2+]CCC ZINC000103995909 206481046 /nfs/dbraw/zinc/48/10/46/206481046.db2.gz HALFDWYBLZRMKL-UHFFFAOYSA-N 1 0 329.282 4.303 10 0 EIAERO CC(C)OCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000013721724 563716842 /nfs/dbraw/zinc/71/68/42/563716842.db2.gz GYKCSUWQZMPSQP-UHFFFAOYSA-N 1 0 331.431 4.309 10 0 EIAERO CC[C@@H](C)[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000055369445 563934558 /nfs/dbraw/zinc/93/45/58/563934558.db2.gz UKXGTDBVQCHDTC-OAHLLOKOSA-N 1 0 328.504 4.451 10 0 EIAERO C[C@@H]1[C@@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593241 563963276 /nfs/dbraw/zinc/96/32/76/563963276.db2.gz ILMMOMVUQUFKMT-RXYDEIHYSA-N 1 0 346.515 4.445 10 0 EIAERO CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1C ZINC000034659551 564050302 /nfs/dbraw/zinc/05/03/02/564050302.db2.gz IHBKZORRTBYBJO-UHFFFAOYSA-N 1 0 334.257 4.446 10 0 EIAERO Cc1nc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)oc1C ZINC000114481789 1029035506 /nfs/dbraw/zinc/03/55/06/1029035506.db2.gz YSTLVGOAMDCWML-KRWDZBQOSA-N 1 0 336.439 4.061 10 0 EIAERO O=C(CC[N@H+]1CC=C(c2cccs2)CC1)Nc1ccccc1F ZINC000117893721 1031395598 /nfs/dbraw/zinc/39/55/98/1031395598.db2.gz TVSVKRLQOIPGLK-UHFFFAOYSA-N 1 0 330.428 4.005 10 0 EIAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(Cl)s1 ZINC000124088956 1031507311 /nfs/dbraw/zinc/50/73/11/1031507311.db2.gz ZZWNQNZJSZLVNF-DZKIICNBSA-N 1 0 349.931 4.358 10 0 EIAERO CCCc1ccc([C@H]([NH2+]Cc2cccnc2-n2cncn2)C(C)C)cc1 ZINC000091285790 1039354672 /nfs/dbraw/zinc/35/46/72/1039354672.db2.gz ZNVQBVXUZPYJKS-HXUWFJFHSA-N 1 0 349.482 4.102 10 0 EIAERO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000076988614 1045924950 /nfs/dbraw/zinc/92/49/50/1045924950.db2.gz LWQFURPLXRKOLH-RTWAWAEBSA-N 1 0 340.511 4.000 10 0 EIAERO CC[NH2+][C@H](Cc1sccc1Br)c1cccc(OC)c1 ZINC000053788786 214199237 /nfs/dbraw/zinc/19/92/37/214199237.db2.gz JXKPPKCVKXUNQI-CQSZACIVSA-N 1 0 340.286 4.413 10 0 EIAERO CCOc1cccc([C@@H](Cc2sccc2Br)[NH2+]C)c1 ZINC000053788981 214199308 /nfs/dbraw/zinc/19/93/08/214199308.db2.gz QOGWUSSEDVZBHM-CQSZACIVSA-N 1 0 340.286 4.413 10 0 EIAERO [NH3+][C@@H](Cc1cccc(Br)c1)Cc1ccc(F)cc1Cl ZINC000053819132 214200466 /nfs/dbraw/zinc/20/04/66/214200466.db2.gz WTHNAZAZJGLPLZ-AWEZNQCLSA-N 1 0 342.639 4.354 10 0 EIAERO CC(C)C[N@H+](CC[C@@H](N)c1cccc(Br)c1)C(C)C ZINC000053971878 214207710 /nfs/dbraw/zinc/20/77/10/214207710.db2.gz KIPBPTPSHBEOSA-MRXNPFEDSA-N 1 0 327.310 4.205 10 0 EIAERO CCCC[N@H+](CC[C@H](O)c1cccc(Br)c1)C1CC1 ZINC000053973237 214209131 /nfs/dbraw/zinc/20/91/31/214209131.db2.gz KVGJNRLQJFUYSU-INIZCTEOSA-N 1 0 326.278 4.137 10 0 EIAERO C[NH2+][C@@H]1CCCCC[C@H]1CN(C)Cc1cc(Br)cs1 ZINC000053873551 214202961 /nfs/dbraw/zinc/20/29/61/214202961.db2.gz SSVNVHYKGRCDGF-SWLSCSKDSA-N 1 0 345.350 4.111 10 0 EIAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCCCO)cc1 ZINC000013727257 201911524 /nfs/dbraw/zinc/91/15/24/201911524.db2.gz SYJVEYPGFGGHEA-UHFFFAOYSA-N 1 0 347.886 4.480 10 0 EIAERO COc1ccc(Cl)cc1[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019470707 202008730 /nfs/dbraw/zinc/00/87/30/202008730.db2.gz DJLARXKOXXFWJQ-CQSZACIVSA-N 1 0 326.621 4.159 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000037772394 202035709 /nfs/dbraw/zinc/03/57/09/202035709.db2.gz VUUSOYVAGBBZEF-KCQAQPDRSA-N 1 0 325.294 4.207 10 0 EIAERO CCCC[NH2+]Cc1cc(Br)cc(OC)c1OCCC ZINC000020934111 202058966 /nfs/dbraw/zinc/05/89/66/202058966.db2.gz SBYDWHRUVPWODP-UHFFFAOYSA-N 1 0 330.266 4.136 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]Cc2ccncc2)cc1Cl ZINC000020926568 202058975 /nfs/dbraw/zinc/05/89/75/202058975.db2.gz WLRIKHOFDYTEGP-UHFFFAOYSA-N 1 0 325.239 4.467 10 0 EIAERO CCC[NH2+]Cc1c(C)nn(C)c1Oc1ccc(Cl)c(Cl)c1 ZINC000038001539 202080174 /nfs/dbraw/zinc/08/01/74/202080174.db2.gz GFSZEFBEEKZYDG-UHFFFAOYSA-N 1 0 328.243 4.327 10 0 EIAERO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(Br)c1 ZINC000038009443 202082454 /nfs/dbraw/zinc/08/24/54/202082454.db2.gz OHYVYKOIJGPJCK-MLGOLLRUSA-N 1 0 332.241 4.103 10 0 EIAERO C[C@H](CN[C@@H](C)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000038041771 202090718 /nfs/dbraw/zinc/09/07/18/202090718.db2.gz KMAMJKCVQAJHHV-CABCVRRESA-N 1 0 339.321 4.222 10 0 EIAERO C[C@H](c1ccccc1Br)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032485 202091618 /nfs/dbraw/zinc/09/16/18/202091618.db2.gz CPGXRZGJCRDNQM-GFCCVEGCSA-N 1 0 331.257 4.151 10 0 EIAERO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@H](C)[N@@H+]3C)[C@@H]12 ZINC000028336911 202168687 /nfs/dbraw/zinc/16/86/87/202168687.db2.gz FMPNFDSPHNUFOS-HQEQRHKESA-N 1 0 345.527 4.419 10 0 EIAERO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](CC(C)C)CC1 ZINC000034682740 202274712 /nfs/dbraw/zinc/27/47/12/202274712.db2.gz QTTKXFOSOBKJEV-UHFFFAOYSA-N 1 0 334.479 4.388 10 0 EIAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)c1cccc(Br)c1 ZINC000034940422 202282889 /nfs/dbraw/zinc/28/28/89/202282889.db2.gz XXLPVTUFMPMARW-INIZCTEOSA-N 1 0 327.225 4.240 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1ccsc1 ZINC000035379846 202300596 /nfs/dbraw/zinc/30/05/96/202300596.db2.gz FISVNPDYWWQQQO-LLVKDONJSA-N 1 0 332.650 4.221 10 0 EIAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(Br)ccc1OC ZINC000035509151 202305573 /nfs/dbraw/zinc/30/55/73/202305573.db2.gz IRSISNQWZWMRIK-JTQLQIEISA-N 1 0 326.156 4.061 10 0 EIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000035805138 202310256 /nfs/dbraw/zinc/31/02/56/202310256.db2.gz LAXWIRDYMCJDCA-OAHLLOKOSA-N 1 0 332.875 4.482 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccccc2Br)c(Cl)c1 ZINC000036767649 202332239 /nfs/dbraw/zinc/33/22/39/202332239.db2.gz UYNRBXUZWYDHDM-CQSZACIVSA-N 1 0 326.621 4.159 10 0 EIAERO CC[C@@](COCc1ccc(OC)c(OC)c1)(c1cccs1)[NH+](C)C ZINC000067854454 201160493 /nfs/dbraw/zinc/16/04/93/201160493.db2.gz UTDQAOOOPINNRR-LJQANCHMSA-N 1 0 349.496 4.149 10 0 EIAERO CC1(C)CCCC(C)(C)[NH+]1CCSc1nc2ccccc2c(=O)[nH]1 ZINC000090661356 201372615 /nfs/dbraw/zinc/37/26/15/201372615.db2.gz PNCJIAYWFDDRMF-UHFFFAOYSA-N 1 0 345.512 4.471 10 0 EIAERO Fc1cccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccccc3)n2)c1 ZINC000070451697 203074997 /nfs/dbraw/zinc/07/49/97/203074997.db2.gz WINTUBAMJJOUSH-UHFFFAOYSA-N 1 0 348.425 4.114 10 0 EIAERO [NH3+][C@H](c1ccc(Br)cc1F)c1c(F)cc(F)cc1F ZINC000019971832 212092329 /nfs/dbraw/zinc/09/23/29/212092329.db2.gz AGRFULGBPQYCOZ-CYBMUJFWSA-N 1 0 334.110 4.054 10 0 EIAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000101417545 204007129 /nfs/dbraw/zinc/00/71/29/204007129.db2.gz ORBLPFKGRVVFDQ-KYHPRHEASA-N 1 0 332.488 4.199 10 0 EIAERO CC[NH2+]Cc1ccc(Br)cc1Sc1nc(C)cs1 ZINC000104289703 204104191 /nfs/dbraw/zinc/10/41/91/204104191.db2.gz WCNFEPRHKZDYAD-UHFFFAOYSA-N 1 0 343.315 4.475 10 0 EIAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccc(Br)cc1Cl ZINC000043039752 204209290 /nfs/dbraw/zinc/20/92/90/204209290.db2.gz KGFJIXKQISMSRA-OAHLLOKOSA-N 1 0 340.648 4.490 10 0 EIAERO C[C@@H]([NH3+])[C@H](c1ccccc1Br)N1CCCCCCC1 ZINC000043091094 204212282 /nfs/dbraw/zinc/21/22/82/204212282.db2.gz HNRFACOAZXXQRE-CZUORRHYSA-N 1 0 325.294 4.104 10 0 EIAERO C[C@H]([NH3+])[C@@H](c1ccccc1)N(C)Cc1cc(Br)cs1 ZINC000042902311 204171480 /nfs/dbraw/zinc/17/14/80/204171480.db2.gz AWGUOEVXKMYSOJ-NHYWBVRUSA-N 1 0 339.302 4.031 10 0 EIAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1Br)c1ccc(F)cc1 ZINC000042916405 204182454 /nfs/dbraw/zinc/18/24/54/204182454.db2.gz LAFLWOSUIIJXBS-CQSZACIVSA-N 1 0 344.611 4.320 10 0 EIAERO COc1cccc(S[C@@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042958791 204184007 /nfs/dbraw/zinc/18/40/07/204184007.db2.gz IJONSBCZLDPJTB-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO CC[N@H+]([C@H](c1ccc(Br)cc1)[C@@H](C)N)C1CCCC1 ZINC000042953206 204184631 /nfs/dbraw/zinc/18/46/31/204184631.db2.gz PIMGDXCDDJPOKO-WBMJQRKESA-N 1 0 325.294 4.102 10 0 EIAERO C[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000043021929 204201134 /nfs/dbraw/zinc/20/11/34/204201134.db2.gz SXDCRBLHFVKJNO-TYNCELHUSA-N 1 0 327.310 4.204 10 0 EIAERO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3C=C12 ZINC000012880423 207256334 /nfs/dbraw/zinc/25/63/34/207256334.db2.gz OCWMOVOEHOFLTA-PWYRSOQJSA-N 1 0 345.527 4.423 10 0 EIAERO COCC[NH2+]CCCCOc1cc(Cl)c(Cl)cc1Cl ZINC000053567932 207274761 /nfs/dbraw/zinc/27/47/61/207274761.db2.gz NEKBGBNBPMPTRD-UHFFFAOYSA-N 1 0 326.651 4.042 10 0 EIAERO OCCCCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000013726833 563718743 /nfs/dbraw/zinc/71/87/43/563718743.db2.gz ZXTKXOFEYLLIGT-UHFFFAOYSA-N 1 0 333.859 4.171 10 0 EIAERO CCn1cc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)c2ccccc21 ZINC000065288672 563852345 /nfs/dbraw/zinc/85/23/45/563852345.db2.gz BGTPCDIHQJVQDQ-JOCHJYFZSA-N 1 0 349.478 4.002 10 0 EIAERO CC[C@@H](CO)[N@H+](Cc1cccs1)Cc1ccnc2ccccc12 ZINC000055342019 563934476 /nfs/dbraw/zinc/93/44/76/563934476.db2.gz JWUPNEVVPDQSPK-INIZCTEOSA-N 1 0 326.465 4.069 10 0 EIAERO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1ccc(OC)c(COC)c1 ZINC000055575260 563934874 /nfs/dbraw/zinc/93/48/74/563934874.db2.gz RJOYMHDBFHNNEG-MRXNPFEDSA-N 1 0 328.456 4.037 10 0 EIAERO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000068592993 563963298 /nfs/dbraw/zinc/96/32/98/563963298.db2.gz XQHWJVYZQCZBNX-YFHUEUNASA-N 1 0 332.488 4.056 10 0 EIAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cccc(Cl)c2Cl)C1 ZINC000675053541 564080147 /nfs/dbraw/zinc/08/01/47/564080147.db2.gz IXGZMADPYWQMGL-GXFFZTMASA-N 1 0 345.270 4.311 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cccc(Cl)c1Cl ZINC000675053577 564080487 /nfs/dbraw/zinc/08/04/87/564080487.db2.gz JBNSENWEBGVYPG-GXFFZTMASA-N 1 0 345.270 4.393 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cc(Cl)ccc1Cl ZINC000675055207 564084353 /nfs/dbraw/zinc/08/43/53/564084353.db2.gz RCJSZGCTBFDYBG-SMDDNHRTSA-N 1 0 345.270 4.393 10 0 EIAERO c1ccc(CC[N@@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cc1 ZINC000065372725 564105581 /nfs/dbraw/zinc/10/55/81/564105581.db2.gz HWGDLRMIRZSFIB-NRFANRHFSA-N 1 0 329.447 4.176 10 0 EIAERO CC(C)C[NH2+]Cc1cnc(Cc2ccc(Br)cc2)s1 ZINC000052331647 214126241 /nfs/dbraw/zinc/12/62/41/214126241.db2.gz YNASBOIBBLGPKQ-UHFFFAOYSA-N 1 0 339.302 4.242 10 0 EIAERO CCCCOCC[C@H](C[NH2+]C)Cc1ccc(Br)cc1 ZINC000052975561 214158597 /nfs/dbraw/zinc/15/85/97/214158597.db2.gz PGUVJUDAWMJOJH-HNNXBMFYSA-N 1 0 328.294 4.034 10 0 EIAERO CC[NH2+][C@@H](Cc1ccc(Br)s1)Cc1cccc(F)c1 ZINC000053830820 214201868 /nfs/dbraw/zinc/20/18/68/214201868.db2.gz RPGZWIOSWIPHGV-CYBMUJFWSA-N 1 0 342.277 4.413 10 0 EIAERO C[NH2+][C@H](Cc1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000053789424 214198961 /nfs/dbraw/zinc/19/89/61/214198961.db2.gz CXQAHGAUMNKHRB-OAHLLOKOSA-N 1 0 326.184 4.231 10 0 EIAERO CC[NH2+][C@H](C)c1cnc(-c2cc(Br)ccc2OC)s1 ZINC000054160313 214220588 /nfs/dbraw/zinc/22/05/88/214220588.db2.gz PJUUDGFTCXSQFT-SECBINFHSA-N 1 0 341.274 4.252 10 0 EIAERO CC[NH2+][C@H](c1ccc(Br)s1)c1cccc(F)c1F ZINC000054205209 214224250 /nfs/dbraw/zinc/22/42/50/214224250.db2.gz XLUSDOMGPZTTPN-ZDUSSCGKSA-N 1 0 332.213 4.488 10 0 EIAERO C[NH2+][C@H](Cc1ccc(Br)s1)c1cc(F)ccc1C ZINC000060704760 214645778 /nfs/dbraw/zinc/64/57/78/214645778.db2.gz MQCJTPRLULKVLW-CYBMUJFWSA-N 1 0 328.250 4.461 10 0 EIAERO Cc1ccc(F)cc1[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000060704542 214645803 /nfs/dbraw/zinc/64/58/03/214645803.db2.gz SPFFYYXANKRTDR-HNNXBMFYSA-N 1 0 326.184 4.278 10 0 EIAERO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C[C@H]1NC(=O)OC(C)(C)C ZINC000101417550 219126598 /nfs/dbraw/zinc/12/65/98/219126598.db2.gz ORBLPFKGRVVFDQ-LISAXSMJSA-N 1 0 332.488 4.199 10 0 EIAERO C[NH+](C)CCCOc1nn(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000003643093 210071027 /nfs/dbraw/zinc/07/10/27/210071027.db2.gz OFGNQERUYGXVLO-UHFFFAOYSA-N 1 0 343.858 4.069 10 0 EIAERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(Br)c1)c1cccs1 ZINC000043108555 213561866 /nfs/dbraw/zinc/56/18/66/213561866.db2.gz IUMWIUZDOOIEJA-TZMCWYRMSA-N 1 0 326.259 4.368 10 0 EIAERO CC[C@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957320 213546329 /nfs/dbraw/zinc/54/63/29/213546329.db2.gz CNBWJXXHAGOWSO-MAZHCROVSA-N 1 0 326.278 4.434 10 0 EIAERO CCC[C@H](C)[N@H+](CC)Cc1ccccc1-c1nc(C(F)F)cc(=O)[nH]1 ZINC000067947562 215256628 /nfs/dbraw/zinc/25/66/28/215256628.db2.gz WQMMQKZFQNPIND-ZDUSSCGKSA-N 1 0 349.425 4.385 10 0 EIAERO CCC[NH+](CCC)[C@H](c1ccc(Br)cc1)[C@@H](N)CC ZINC000103952799 219331748 /nfs/dbraw/zinc/33/17/48/219331748.db2.gz ALTRONLKZGSGQA-JKSUJKDBSA-N 1 0 327.310 4.350 10 0 EIAERO C[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1)c1ccccc1 ZINC000068591385 215321886 /nfs/dbraw/zinc/32/18/86/215321886.db2.gz DEJQAYTZSHFCQX-LPHOPBHVSA-N 1 0 346.515 4.321 10 0 EIAERO C[C@@H]1[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592888 215321948 /nfs/dbraw/zinc/32/19/48/215321948.db2.gz FWBIWXGKOUKNHP-UIBIWLFHSA-N 1 0 332.488 4.199 10 0 EIAERO CCCCCN(C)c1cc(Br)ccc1C[C@@H]([NH3+])CC ZINC000104254386 219365835 /nfs/dbraw/zinc/36/58/35/219365835.db2.gz LZHPVVWAFIDHLL-HNNXBMFYSA-N 1 0 327.310 4.355 10 0 EIAERO CC[C@@H](C)Sc1cc(Br)ccc1C[NH2+]CCOC ZINC000104284932 219369753 /nfs/dbraw/zinc/36/97/53/219369753.db2.gz ZRFPASHHJMHHLF-LLVKDONJSA-N 1 0 332.307 4.076 10 0 EIAERO CC[C@@H]1CCCC[C@@H]1Oc1ccc(CC[NH3+])cc1Br ZINC000104382329 219382377 /nfs/dbraw/zinc/38/23/77/219382377.db2.gz MDHWAPWKJQYIKV-HIFRSBDPSA-N 1 0 326.278 4.298 10 0 EIAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040687512 213368791 /nfs/dbraw/zinc/36/87/91/213368791.db2.gz MXHBJNLLDHSLSE-UHFFFAOYSA-N 1 0 329.816 4.002 10 0 EIAERO Cc1csc(C[NH2+]C2CC(c3ccccc3Br)C2)n1 ZINC000038090978 213200987 /nfs/dbraw/zinc/20/09/87/213200987.db2.gz BKFSONVMEKZWBP-UHFFFAOYSA-N 1 0 337.286 4.250 10 0 EIAERO C[C@@H](Cc1c(F)cccc1F)[NH2+]Cc1ccc(Br)o1 ZINC000037775997 213166716 /nfs/dbraw/zinc/16/67/16/213166716.db2.gz MAAHEMMCFIVYDP-VIFPVBQESA-N 1 0 330.172 4.041 10 0 EIAERO COc1ccc([C@H]([NH3+])Cc2ccccc2Cl)c(Br)c1 ZINC000037445013 213147893 /nfs/dbraw/zinc/14/78/93/213147893.db2.gz AFSZJPYZHIVISF-OAHLLOKOSA-N 1 0 340.648 4.354 10 0 EIAERO C[C@@H]([NH2+][C@H](C)c1ccc(I)cc1)c1ccco1 ZINC000037260256 213137771 /nfs/dbraw/zinc/13/77/71/213137771.db2.gz ZNZPPWGQZDBICJ-GHMZBOCLSA-N 1 0 341.192 4.296 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2C)cc1Cl ZINC000036829669 213120970 /nfs/dbraw/zinc/12/09/70/213120970.db2.gz PNPXWTJUQXKLPB-OAHLLOKOSA-N 1 0 340.648 4.468 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2cc(F)cc(Br)c2)c(Cl)c1 ZINC000036767789 213116989 /nfs/dbraw/zinc/11/69/89/213116989.db2.gz RNETWRRTUDTJOA-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO [NH3+]Cc1cccc(COc2ccc(Br)cc2Cl)c1 ZINC000035727005 213047885 /nfs/dbraw/zinc/04/78/85/213047885.db2.gz LVMRBKHNNBURHK-UHFFFAOYSA-N 1 0 326.621 4.140 10 0 EIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000035805153 213048747 /nfs/dbraw/zinc/04/87/47/213048747.db2.gz GWBPRTSJFOIQQW-AWEZNQCLSA-N 1 0 336.838 4.313 10 0 EIAERO CCCCC[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Br ZINC000035496625 213032685 /nfs/dbraw/zinc/03/26/85/213032685.db2.gz OTPTTWIYXFKWSR-CYBMUJFWSA-N 1 0 330.266 4.307 10 0 EIAERO CCC[NH2+]Cc1cc(Br)c(OC(C)C)c(OCC)c1 ZINC000036824776 213121836 /nfs/dbraw/zinc/12/18/36/213121836.db2.gz BDUWWTYALBRWAF-UHFFFAOYSA-N 1 0 330.266 4.135 10 0 EIAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1nc2ccccc2s1 ZINC000037239299 213136601 /nfs/dbraw/zinc/13/66/01/213136601.db2.gz LQZHRGNCKQUTMQ-LBPRGKRZSA-N 1 0 333.254 4.301 10 0 EIAERO CC[C@H]([NH3+])Cc1ccccc1OCc1ccc(Br)s1 ZINC000037724658 213162579 /nfs/dbraw/zinc/16/25/79/213162579.db2.gz BZLDARGTWWSYBD-LBPRGKRZSA-N 1 0 340.286 4.369 10 0 EIAERO O=C(c1c[nH]c2ccccc12)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000211764318 241083342 /nfs/dbraw/zinc/08/33/42/241083342.db2.gz GWMPWHHRUFWYTE-UHFFFAOYSA-N 1 0 348.446 4.264 10 0 EIAERO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 ZINC000021016233 212201284 /nfs/dbraw/zinc/20/12/84/212201284.db2.gz QUFWIDQUOJYCGA-AWEZNQCLSA-N 1 0 327.280 4.113 10 0 EIAERO COc1ccc(C[NH2+]Cc2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000020928532 212187850 /nfs/dbraw/zinc/18/78/50/212187850.db2.gz FMKNYJVBUMHYSZ-UHFFFAOYSA-N 1 0 326.223 4.300 10 0 EIAERO CC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874580 212180978 /nfs/dbraw/zinc/18/09/78/212180978.db2.gz PNZQMJLSSKEPGC-UHFFFAOYSA-N 1 0 334.257 4.446 10 0 EIAERO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020875042 212180642 /nfs/dbraw/zinc/18/06/42/212180642.db2.gz KPNSKDXSKFSELT-UHFFFAOYSA-N 1 0 331.843 4.488 10 0 EIAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(F)cc1Cl ZINC000020586725 212149640 /nfs/dbraw/zinc/14/96/40/212149640.db2.gz XCRDCQBUMZPHJP-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO Fc1ccc(Br)c(C[NH2+]CCc2ccccc2F)c1 ZINC000020047636 212098122 /nfs/dbraw/zinc/09/81/22/212098122.db2.gz KVZGIBCJBBGMKV-UHFFFAOYSA-N 1 0 326.184 4.060 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1ccc(C)cc1 ZINC000019967842 212091970 /nfs/dbraw/zinc/09/19/70/212091970.db2.gz ASALPPNNQKWFQZ-AWEZNQCLSA-N 1 0 340.648 4.468 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1ccccc1F ZINC000019967881 212091435 /nfs/dbraw/zinc/09/14/35/212091435.db2.gz LDFMYEIPLRPGTB-CYBMUJFWSA-N 1 0 344.611 4.298 10 0 EIAERO Cc1ncsc1-c1nnc(C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000019563173 212043729 /nfs/dbraw/zinc/04/37/29/212043729.db2.gz YPOSTMXOKPVTSK-UHFFFAOYSA-N 1 0 346.500 4.261 10 0 EIAERO CC[C@@H]1CCCCN1[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952824 213543985 /nfs/dbraw/zinc/54/39/85/213543985.db2.gz HOXVPWAHSBENIS-DAXOMENPSA-N 1 0 325.294 4.102 10 0 EIAERO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2ccccn2)cc1C ZINC000012438081 211381231 /nfs/dbraw/zinc/38/12/31/211381231.db2.gz FTSBRUPCRRHFKI-HXUWFJFHSA-N 1 0 332.451 4.051 10 0 EIAERO CCCc1cc(NCC2CC[NH2+]CC2)nc(-c2cccc(Cl)c2)n1 ZINC000070456048 521379234 /nfs/dbraw/zinc/37/92/34/521379234.db2.gz FCIDFWRXBVJUCZ-UHFFFAOYSA-N 1 0 344.890 4.161 10 0 EIAERO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000013722611 563717251 /nfs/dbraw/zinc/71/72/51/563717251.db2.gz USULUHUTBFYRKJ-UHFFFAOYSA-N 1 0 333.859 4.354 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000675052443 564052430 /nfs/dbraw/zinc/05/24/30/564052430.db2.gz AJBWUPFOFJRINF-SMDDNHRTSA-N 1 0 345.270 4.393 10 0 EIAERO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000015069551 564053248 /nfs/dbraw/zinc/05/32/48/564053248.db2.gz GLUREBCEEZOVJN-INIZCTEOSA-N 1 0 339.414 4.497 10 0 EIAERO CC(C)(C)[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1cccs1 ZINC000122923125 1031168035 /nfs/dbraw/zinc/16/80/35/1031168035.db2.gz BTPRPHCMEPOIHC-KRWDZBQOSA-N 1 0 349.544 4.105 10 0 EIAERO O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000108795969 1031293583 /nfs/dbraw/zinc/29/35/83/1031293583.db2.gz DGBJBWBXMGCTGM-FCHUYYIVSA-N 1 0 348.490 4.030 10 0 EIAERO COc1ccc([C@H](N[C@@H](C)CSC(C)(C)C)c2nccn2C)cc1 ZINC000129115466 1031778960 /nfs/dbraw/zinc/77/89/60/1031778960.db2.gz WDLLXVYJXLLBIW-YOEHRIQHSA-N 1 0 347.528 4.028 10 0 EIAERO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000084598090 1038792543 /nfs/dbraw/zinc/79/25/43/1038792543.db2.gz FIBBWSHRPKJHQF-KRWDZBQOSA-N 1 0 336.479 4.030 10 0 EIAERO C[NH2+][C@H](Cc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000050885887 214071988 /nfs/dbraw/zinc/07/19/88/214071988.db2.gz OGUCXSWSUMJYKB-OAHLLOKOSA-N 1 0 326.184 4.231 10 0 EIAERO C[NH2+]CC1(CN(C)Cc2cc(Br)cs2)CCCCC1 ZINC000051252453 214084545 /nfs/dbraw/zinc/08/45/45/214084545.db2.gz JCSIZRQZGCSGCF-UHFFFAOYSA-N 1 0 345.350 4.112 10 0 EIAERO C[NH2+]Cc1cccc(Oc2ccc(Br)cc2Cl)n1 ZINC000051570176 214096218 /nfs/dbraw/zinc/09/62/18/214096218.db2.gz LQOFPNAEJSKWHK-UHFFFAOYSA-N 1 0 327.609 4.009 10 0 EIAERO [NH3+]Cc1cc(Br)cnc1Oc1cc(Cl)ccc1Cl ZINC000051545969 214097546 /nfs/dbraw/zinc/09/75/46/214097546.db2.gz SSSLNCMUFULLDS-UHFFFAOYSA-N 1 0 348.027 4.402 10 0 EIAERO C[C@H]([NH3+])[C@H](OCC1CCCCC1)c1ccccc1Br ZINC000052147770 214119301 /nfs/dbraw/zinc/11/93/01/214119301.db2.gz VKARLICBCRWQEB-LRDDRELGSA-N 1 0 326.278 4.434 10 0 EIAERO C[NH2+]C[C@@H](Cc1ccc(Br)s1)Cc1ccccc1F ZINC000052979041 214158844 /nfs/dbraw/zinc/15/88/44/214158844.db2.gz VCJXNSGMOOLXMC-LLVKDONJSA-N 1 0 342.277 4.271 10 0 EIAERO C[NH2+]CCc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000053296419 214175770 /nfs/dbraw/zinc/17/57/70/214175770.db2.gz FMUWJGUQUWEGHZ-UHFFFAOYSA-N 1 0 337.242 4.081 10 0 EIAERO C[N@H+](CCNc1ccc(Br)cc1)Cc1cccs1 ZINC000053381174 214180254 /nfs/dbraw/zinc/18/02/54/214180254.db2.gz UDIDTHDMKAXZJG-UHFFFAOYSA-N 1 0 325.275 4.055 10 0 EIAERO CCC[NH2+][C@@H](Cc1cc(F)ccc1Br)CC(F)(F)F ZINC000053832655 214201120 /nfs/dbraw/zinc/20/11/20/214201120.db2.gz ZPGYBVUQUOTZCQ-NSHDSACASA-N 1 0 342.174 4.451 10 0 EIAERO Cc1cc([C@@H]([NH3+])Cc2cc(F)ccc2Br)ccc1F ZINC000053829577 214201444 /nfs/dbraw/zinc/20/14/44/214201444.db2.gz LUJMGQLRWDYGGT-HNNXBMFYSA-N 1 0 326.184 4.278 10 0 EIAERO CC(C)(C)[NH2+]CC1CCN(Cc2ccc(Br)s2)CC1 ZINC000053660373 214192696 /nfs/dbraw/zinc/19/26/96/214192696.db2.gz ALXROHVQZZRTAT-UHFFFAOYSA-N 1 0 345.350 4.111 10 0 EIAERO COCC[N@H+](C/C=C/c1ccccc1)Cc1ccc2ccccc2n1 ZINC000055369268 214313071 /nfs/dbraw/zinc/31/30/71/214313071.db2.gz ZNKAICZTWHPTLV-JXMROGBWSA-N 1 0 332.447 4.397 10 0 EIAERO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1cnc2ccccc2c1 ZINC000055392900 214316724 /nfs/dbraw/zinc/31/67/24/214316724.db2.gz VEWBOEWLHCTDNP-GOSISDBHSA-N 1 0 326.465 4.069 10 0 EIAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(OC)c(Br)c1 ZINC000049597047 214021377 /nfs/dbraw/zinc/02/13/77/214021377.db2.gz MOHHDJPINRYSJR-JSGCOSHPSA-N 1 0 328.294 4.415 10 0 EIAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(OC)c(Br)c1 ZINC000049597049 214020829 /nfs/dbraw/zinc/02/08/29/214020829.db2.gz MOHHDJPINRYSJR-GXTWGEPZSA-N 1 0 328.294 4.415 10 0 EIAERO c1ccc(C2(c3ccccc3)[C@H]3CCCC[C@]32[NH+]2CCOCC2)cc1 ZINC000049573771 214020070 /nfs/dbraw/zinc/02/00/70/214020070.db2.gz PWZUQIVWKUKDND-VXKWHMMOSA-N 1 0 333.475 4.248 10 0 EIAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)c1ccccc1Cl ZINC000060703726 214645869 /nfs/dbraw/zinc/64/58/69/214645869.db2.gz PSFNGEZILFZWDG-AWEZNQCLSA-N 1 0 328.612 4.484 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1csc(Br)c1 ZINC000043105881 213562101 /nfs/dbraw/zinc/56/21/01/213562101.db2.gz FZBFTVAMEFQQTQ-RNCFNFMXSA-N 1 0 345.331 4.092 10 0 EIAERO COc1ccccc1S[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042959854 213546605 /nfs/dbraw/zinc/54/66/05/213546605.db2.gz JEKCCZGCJFKDBR-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO [NH3+]C[C@@H](Sc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000042958832 213545981 /nfs/dbraw/zinc/54/59/81/213545981.db2.gz XQRARFFGKXKGOV-CQSZACIVSA-N 1 0 326.234 4.380 10 0 EIAERO C[NH2+][C@@H](Cc1sccc1Br)c1cc(F)ccc1F ZINC000104239589 219363864 /nfs/dbraw/zinc/36/38/64/219363864.db2.gz XQMVSJRRTYRJNF-LBPRGKRZSA-N 1 0 332.213 4.292 10 0 EIAERO CC(C)CN(CC(C)C)c1cc(Br)ccc1CC[NH3+] ZINC000104261861 219367232 /nfs/dbraw/zinc/36/72/32/219367232.db2.gz OAZAJYDSKDXFAI-UHFFFAOYSA-N 1 0 327.310 4.069 10 0 EIAERO CC(C)C[C@@H](C)N(C)c1cc(Br)ccc1C[C@@H](C)[NH3+] ZINC000104274582 219368539 /nfs/dbraw/zinc/36/85/39/219368539.db2.gz MVJLAIBBPVBQOC-CHWSQXEVSA-N 1 0 327.310 4.210 10 0 EIAERO C[C@@H](c1cccs1)N(C)c1cc(Br)ccc1CC[NH3+] ZINC000104278148 219369469 /nfs/dbraw/zinc/36/94/69/219369469.db2.gz UAPWKJWYDKUVNN-NSHDSACASA-N 1 0 339.302 4.209 10 0 EIAERO [NH3+]CCc1ccc(Oc2ccc(F)cc2Br)c(F)c1 ZINC000104291311 219370356 /nfs/dbraw/zinc/37/03/56/219370356.db2.gz OJDWLKBCOKLMRF-UHFFFAOYSA-N 1 0 328.156 4.021 10 0 EIAERO [NH3+]CCc1ccc(Br)cc1Sc1ccc(F)c(F)c1 ZINC000104299998 219371802 /nfs/dbraw/zinc/37/18/02/219371802.db2.gz JCXNTQHUNITURN-UHFFFAOYSA-N 1 0 344.224 4.380 10 0 EIAERO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(Br)s2)s1 ZINC000040445789 213305450 /nfs/dbraw/zinc/30/54/50/213305450.db2.gz MUBYOLPTPJFDJA-ZETCQYMHSA-N 1 0 331.304 4.435 10 0 EIAERO Cc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(Br)c2)c1 ZINC000038012590 213189040 /nfs/dbraw/zinc/18/90/40/213189040.db2.gz QXSWPHFWMJWIMD-CYBMUJFWSA-N 1 0 347.256 4.047 10 0 EIAERO [NH3+][C@H](Cc1nc(-c2ccc(Br)s2)c[nH]1)c1ccccc1 ZINC000038002389 213187004 /nfs/dbraw/zinc/18/70/04/213187004.db2.gz DEMJQWGQLKZGEH-LLVKDONJSA-N 1 0 348.269 4.143 10 0 EIAERO C[C@@H](Nc1c[nH+]ccc1N(C)C)c1ccc(Br)s1 ZINC000038002508 213186843 /nfs/dbraw/zinc/18/68/43/213186843.db2.gz YKFATGPZMGNGEJ-SECBINFHSA-N 1 0 326.263 4.145 10 0 EIAERO [NH3+]Cc1ccc(OCCCOc2ccc(Cl)c(Cl)c2)cc1 ZINC000038001387 213185596 /nfs/dbraw/zinc/18/55/96/213185596.db2.gz HZGSZDGQJLMSPG-UHFFFAOYSA-N 1 0 326.223 4.300 10 0 EIAERO C[NH2+]Cc1c(Oc2ccc(Cl)c(Cl)c2)nc2sccn21 ZINC000038001544 213185848 /nfs/dbraw/zinc/18/58/48/213185848.db2.gz MKLDSJGODGZAMS-UHFFFAOYSA-N 1 0 328.224 4.214 10 0 EIAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(Br)c1 ZINC000038009440 213188478 /nfs/dbraw/zinc/18/84/78/213188478.db2.gz OHYVYKOIJGPJCK-LRDDRELGSA-N 1 0 332.241 4.103 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@H](C)C1CC[NH+](C)CC1 ZINC000037772414 213165238 /nfs/dbraw/zinc/16/52/38/213165238.db2.gz HERIXPRNWZQWBC-CYBMUJFWSA-N 1 0 325.294 4.208 10 0 EIAERO NC(=[NH2+])c1ccc(CSc2ccc(Br)cc2)c(F)c1 ZINC000037381613 213142558 /nfs/dbraw/zinc/14/25/58/213142558.db2.gz WCGPNFKDACFHTI-UHFFFAOYSA-N 1 0 339.233 4.165 10 0 EIAERO Cc1ccc2c(c1)[nH+]c(N)n2-c1ccc(Br)cc1Cl ZINC000036899696 213126285 /nfs/dbraw/zinc/12/62/85/213126285.db2.gz XYPHUGYLHBIOTA-UHFFFAOYSA-N 1 0 336.620 4.332 10 0 EIAERO CC(C)[NH2+]Cc1ccc(Br)cc1N(C)[C@H](C)C1CC1 ZINC000036786107 213118084 /nfs/dbraw/zinc/11/80/84/213118084.db2.gz OVJSCQLTSOAESG-GFCCVEGCSA-N 1 0 325.294 4.182 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(Br)s2)c(Cl)c1 ZINC000036767762 213117425 /nfs/dbraw/zinc/11/74/25/213117425.db2.gz BNFIDLHBMZYOBV-LBPRGKRZSA-N 1 0 332.650 4.221 10 0 EIAERO CCOc1ccc(Br)cc1[C@@H]([NH2+]C)c1cccs1 ZINC000035505502 213034137 /nfs/dbraw/zinc/03/41/37/213034137.db2.gz CMZLSOJXSNLEPI-CQSZACIVSA-N 1 0 326.259 4.218 10 0 EIAERO CCOc1ccc(Br)cc1[C@H]([NH2+]C)c1ccsc1 ZINC000035505436 213033551 /nfs/dbraw/zinc/03/35/51/213033551.db2.gz PCQIWPWJMKGHLC-CQSZACIVSA-N 1 0 326.259 4.218 10 0 EIAERO CC[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)[C@@H]1C[C@@H]1C ZINC000035509892 213035383 /nfs/dbraw/zinc/03/53/83/213035383.db2.gz LHQWNQUTWNGDSU-PLMOITTCSA-N 1 0 332.669 4.418 10 0 EIAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cc(Cl)ccc1OC ZINC000035462652 213030233 /nfs/dbraw/zinc/03/02/33/213030233.db2.gz UFGZDYJYHMGQIO-HNNXBMFYSA-N 1 0 340.648 4.420 10 0 EIAERO [NH3+]Cc1cccc(COc2ccc(Cl)cc2Br)c1 ZINC000035726931 213047796 /nfs/dbraw/zinc/04/77/96/213047796.db2.gz UGDZIYNGZAZZCZ-UHFFFAOYSA-N 1 0 326.621 4.140 10 0 EIAERO [NH3+]Cc1ccc(Br)cc1Oc1ccc(F)cc1Cl ZINC000037902379 213172755 /nfs/dbraw/zinc/17/27/55/213172755.db2.gz SEFSEKLHPYCYQX-UHFFFAOYSA-N 1 0 330.584 4.493 10 0 EIAERO O=C(C[NH2+]C1CCCCC1)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000026384958 212516922 /nfs/dbraw/zinc/51/69/22/212516922.db2.gz YKFKYDGGORYAKK-NRFANRHFSA-N 1 0 328.500 4.347 10 0 EIAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000020931705 212189443 /nfs/dbraw/zinc/18/94/43/212189443.db2.gz SLNXNONFAPSNKZ-UHFFFAOYSA-N 1 0 343.895 4.434 10 0 EIAERO CC(C)[NH+](CCN[C@@H](C)c1cccc(Br)c1)C(C)C ZINC000019901006 212080508 /nfs/dbraw/zinc/08/05/08/212080508.db2.gz AAXQNMKIDHCPHF-AWEZNQCLSA-N 1 0 327.310 4.219 10 0 EIAERO CCN([C@H](C[NH3+])c1ccccc1Br)C1CCCCC1 ZINC000019805211 212071126 /nfs/dbraw/zinc/07/11/26/212071126.db2.gz VGURZYVUMROJQU-MRXNPFEDSA-N 1 0 325.294 4.104 10 0 EIAERO NC(=[NH2+])c1cccnc1Oc1ccc2cc(Br)ccc2c1 ZINC000019488973 212031896 /nfs/dbraw/zinc/03/18/96/212031896.db2.gz ARINQKYIYACPJV-UHFFFAOYSA-N 1 0 342.196 4.074 10 0 EIAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)Cc1cccs1 ZINC000043020529 213551550 /nfs/dbraw/zinc/55/15/50/213551550.db2.gz UXQIBRNMPOPGAT-IAQYHMDHSA-N 1 0 339.302 4.031 10 0 EIAERO [NH3+]C[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1Br ZINC000043095495 213559124 /nfs/dbraw/zinc/55/91/24/213559124.db2.gz ZPHKPEZGKYJALZ-CQSZACIVSA-N 1 0 344.611 4.320 10 0 EIAERO CCOc1cc(C[NH2+]CCC(C)C)cc(Br)c1OCC ZINC000013724322 211621671 /nfs/dbraw/zinc/62/16/71/211621671.db2.gz NGCJRLXRSOMCBB-UHFFFAOYSA-N 1 0 344.293 4.382 10 0 EIAERO CC[NH+](CC)CCCNCc1cccc(OCc2ccccc2F)c1 ZINC000013734259 211626065 /nfs/dbraw/zinc/62/60/65/211626065.db2.gz KOXLXEQAMALVLB-UHFFFAOYSA-N 1 0 344.474 4.226 10 0 EIAERO Cc1ccc(Cn2c3ccccc3nc2NC2CCC([NH3+])CC2)cc1 ZINC000095090023 218279289 /nfs/dbraw/zinc/27/92/89/218279289.db2.gz YJTFMUWRRAEXFM-UHFFFAOYSA-N 1 0 334.467 4.075 10 0 EIAERO CCCCc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000040173907 258003752 /nfs/dbraw/zinc/00/37/52/258003752.db2.gz QRVHZQLHILKZQV-LJQANCHMSA-N 1 0 335.451 4.019 10 0 EIAERO CCCC1CCN(c2cc(Br)ccc2C[NH2+]C)CC1 ZINC000050894323 132179927 /nfs/dbraw/zinc/17/99/27/132179927.db2.gz WCDYQNYWCCCRCN-UHFFFAOYSA-N 1 0 325.294 4.185 10 0 EIAERO Clc1cccc2c(N3CC[NH+](Cc4ccccc4)CC3)ccnc12 ZINC000040175333 132398931 /nfs/dbraw/zinc/39/89/31/132398931.db2.gz UZRRVYGVKMQMIY-UHFFFAOYSA-N 1 0 337.854 4.210 10 0 EIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000036992152 525609451 /nfs/dbraw/zinc/60/94/51/525609451.db2.gz LEAQSEGLMFCMOA-WDEREUQCSA-N 1 0 343.901 4.217 10 0 EIAERO Cc1ncc2n1-c1ccc(Cl)cc1[C@@H](c1ccccc1F)NC2 ZINC000034020436 568415175 /nfs/dbraw/zinc/41/51/75/568415175.db2.gz HMQYFIKOHHSETE-GOSISDBHSA-N 1 0 327.790 4.166 10 0 in-vitro EIAERO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)oc1C ZINC000114481791 1029034595 /nfs/dbraw/zinc/03/45/95/1029034595.db2.gz YSTLVGOAMDCWML-QGZVFWFLSA-N 1 0 336.439 4.061 10 0 EIAERO Cc1csc(C2CC[NH+](CC3=Cc4ccccc4OC3)CC2)n1 ZINC000092787423 1039593020 /nfs/dbraw/zinc/59/30/20/1039593020.db2.gz UYLPECRDBQBOMM-UHFFFAOYSA-N 1 0 326.465 4.107 10 0 EIAERO CC[NH+](CC)C[C@@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000076000700 1045864800 /nfs/dbraw/zinc/86/48/00/1045864800.db2.gz YYWOUFBWCCBLKH-HNNXBMFYSA-N 1 0 347.890 4.159 10 0 EIAERO CC[NH2+]Cc1cc(Br)cnc1OC1CCCCCC1 ZINC000051549156 214096763 /nfs/dbraw/zinc/09/67/63/214096763.db2.gz OXMNKMKHXWDUST-UHFFFAOYSA-N 1 0 327.266 4.055 10 0 EIAERO CC[NH2+][C@@H](c1ccc(CC)o1)c1cc(F)cc(Br)c1 ZINC000051727862 214102410 /nfs/dbraw/zinc/10/24/10/214102410.db2.gz IIYUHCFQVOFYDC-OAHLLOKOSA-N 1 0 326.209 4.443 10 0 EIAERO CC(C)[C@H](C[NH2+]C(C)(C)C)N(C)Cc1csc(Br)c1 ZINC000052547509 214132396 /nfs/dbraw/zinc/13/23/96/214132396.db2.gz FOOKYSOQWPCGSO-ZDUSSCGKSA-N 1 0 347.366 4.355 10 0 EIAERO CCC[NH2+]C[C@@H](CCCOC)Cc1cccc(Br)c1 ZINC000052978054 214158996 /nfs/dbraw/zinc/15/89/96/214158996.db2.gz VHYHTKFWQVMYBR-HNNXBMFYSA-N 1 0 328.294 4.034 10 0 EIAERO C[NH2+]C[C@@H](Cc1ccc(Br)s1)Cc1ccccc1C ZINC000052978628 214159129 /nfs/dbraw/zinc/15/91/29/214159129.db2.gz DAQMDOYYXAVXOZ-CYBMUJFWSA-N 1 0 338.314 4.440 10 0 EIAERO CCC(C)(C)[NH2+]C[C@H](C)N(C)Cc1cc(Br)cs1 ZINC000053496050 214186574 /nfs/dbraw/zinc/18/65/74/214186574.db2.gz MECLIBXPEZHIRB-NSHDSACASA-N 1 0 333.339 4.109 10 0 EIAERO CCC[NH2+][C@H](Cc1sccc1Br)CC(F)(F)F ZINC000053832720 214201086 /nfs/dbraw/zinc/20/10/86/214201086.db2.gz BJSKWYVDYKOSBK-MRVPVSSYSA-N 1 0 330.213 4.374 10 0 EIAERO C[C@]([NH3+])(Cc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000053755220 214196203 /nfs/dbraw/zinc/19/62/03/214196203.db2.gz QUODAOGXYFTSLS-HNNXBMFYSA-N 1 0 326.184 4.144 10 0 EIAERO C[NH2+][C@@H](Cc1sccc1Br)c1cccc(OC)c1 ZINC000053788725 214199330 /nfs/dbraw/zinc/19/93/30/214199330.db2.gz VTEJNMXRVDVYFJ-ZDUSSCGKSA-N 1 0 326.259 4.022 10 0 EIAERO C[NH2+][C@H](Cc1ccc(Br)s1)c1ccc(OC)cc1 ZINC000053787998 214199446 /nfs/dbraw/zinc/19/94/46/214199446.db2.gz ZISBYIFUMQVPNO-CYBMUJFWSA-N 1 0 326.259 4.022 10 0 EIAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCCC1(C)C ZINC000063065883 214742139 /nfs/dbraw/zinc/74/21/39/214742139.db2.gz PCZKTKQHNDYILP-LSDHHAIUSA-N 1 0 325.294 4.102 10 0 EIAERO [NH3+][C@H](Cc1ccc(F)cc1Br)c1ccccc1Cl ZINC000060703723 214645590 /nfs/dbraw/zinc/64/55/90/214645590.db2.gz PSFNGEZILFZWDG-CQSZACIVSA-N 1 0 328.612 4.484 10 0 EIAERO C[NH2+]C[C@]1(Cc2cc(F)ccc2Br)C[C@H]2CC[C@@H]1C2 ZINC000103996353 219336851 /nfs/dbraw/zinc/33/68/51/219336851.db2.gz KKQHXFYYHATNLX-NORZTCDRSA-N 1 0 326.253 4.157 10 0 EIAERO C[C@H]1CCC[C@H]([NH2+]CCOc2ccc(F)cc2Br)C1 ZINC000104016552 219338804 /nfs/dbraw/zinc/33/88/04/219338804.db2.gz STUQAJHNAGNXHA-AAEUAGOBSA-N 1 0 330.241 4.135 10 0 EIAERO C[NH2+][C@H](c1ccc(I)cc1)C1=CCCCCC1 ZINC000104018433 219339090 /nfs/dbraw/zinc/33/90/90/219339090.db2.gz KIUCOYRCFKYMAA-HNNXBMFYSA-N 1 0 341.236 4.442 10 0 EIAERO C[C@@H]1[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593229 215321397 /nfs/dbraw/zinc/32/13/97/215321397.db2.gz QBFXTPLFVTYROG-YFHUEUNASA-N 1 0 332.488 4.056 10 0 EIAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccccc1Br ZINC000038009414 213188892 /nfs/dbraw/zinc/18/88/92/213188892.db2.gz ZFRFODNRTVSQJP-JSGCOSHPSA-N 1 0 332.241 4.103 10 0 EIAERO C[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc(Br)c1 ZINC000037984619 213183391 /nfs/dbraw/zinc/18/33/91/213183391.db2.gz UQJFVYXOGAJJNK-ZDUSSCGKSA-N 1 0 326.278 4.185 10 0 EIAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000037982283 213182718 /nfs/dbraw/zinc/18/27/18/213182718.db2.gz LPZFBVFSMBLYNC-FZKQIMNGSA-N 1 0 348.284 4.396 10 0 EIAERO C[C@@]([NH2+]C1CCCCCC1)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000037972270 213177289 /nfs/dbraw/zinc/17/72/89/213177289.db2.gz PVXBTANHDGZZCM-INIZCTEOSA-N 1 0 329.271 4.006 10 0 EIAERO CC[C@@H]([NH3+])Cc1cc(Br)ccc1OCc1cccs1 ZINC000037725457 213163016 /nfs/dbraw/zinc/16/30/16/213163016.db2.gz PRNGITGRXDDVPU-CYBMUJFWSA-N 1 0 340.286 4.369 10 0 EIAERO C[C@@H]([NH3+])c1ccccc1Oc1ccc(I)cc1 ZINC000036904127 213125611 /nfs/dbraw/zinc/12/56/11/213125611.db2.gz HEUZLEJQHSVYDR-SNVBAGLBSA-N 1 0 339.176 4.103 10 0 EIAERO [NH3+]C[C@@H](c1ccc(Br)s1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809641 213119567 /nfs/dbraw/zinc/11/95/67/213119567.db2.gz ADAGMHQQDNBJHF-XQQFMLRXSA-N 1 0 343.334 4.023 10 0 EIAERO [NH3+]Cc1ccc(F)c(CSc2ccc(Br)cc2)c1 ZINC000035721966 213046905 /nfs/dbraw/zinc/04/69/05/213046905.db2.gz IWNBPROMHBWABP-UHFFFAOYSA-N 1 0 326.234 4.339 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037772416 213166292 /nfs/dbraw/zinc/16/62/92/213166292.db2.gz FRYYEKJXBKURQJ-ZIAGYGMSSA-N 1 0 325.294 4.208 10 0 EIAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccccc1Br ZINC000038009416 213188094 /nfs/dbraw/zinc/18/80/94/213188094.db2.gz ZFRFODNRTVSQJP-GXTWGEPZSA-N 1 0 332.241 4.103 10 0 EIAERO CCCOc1ccc(C[NH2+]CCc2ccccc2OC)cc1OCC ZINC000020933508 212189555 /nfs/dbraw/zinc/18/95/55/212189555.db2.gz GLZLIYOYIVJLLC-UHFFFAOYSA-N 1 0 343.467 4.215 10 0 EIAERO COc1ccccc1C[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928613 212188044 /nfs/dbraw/zinc/18/80/44/212188044.db2.gz PKLTUCFZLUDWNX-UHFFFAOYSA-N 1 0 326.223 4.300 10 0 EIAERO CCCOc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC[N@@H+]1CC ZINC000020967971 212193636 /nfs/dbraw/zinc/19/36/36/212193636.db2.gz BLBYTXSMFDBTFG-HNNXBMFYSA-N 1 0 345.314 4.356 10 0 EIAERO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875104 212180905 /nfs/dbraw/zinc/18/09/05/212180905.db2.gz IAHGTNSENFHXGW-SFHVURJKSA-N 1 0 333.859 4.088 10 0 EIAERO CCN(CC)CC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874512 212180714 /nfs/dbraw/zinc/18/07/14/212180714.db2.gz PHOQLWKZUQQUBG-UHFFFAOYSA-N 1 0 326.484 4.005 10 0 EIAERO COc1ccc(Br)cc1[C@H]([NH3+])c1c(F)cccc1Cl ZINC000020586949 212149912 /nfs/dbraw/zinc/14/99/12/212149912.db2.gz LIDJRHDZJRUSHN-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO [NH3+]C[C@H](Oc1ccccc1Br)c1cccc(Cl)c1 ZINC000043018152 213551255 /nfs/dbraw/zinc/55/12/55/213551255.db2.gz ODHSJAVYHSNOJP-AWEZNQCLSA-N 1 0 326.621 4.181 10 0 EIAERO C[C@@H]([NH3+])[C@H](OC1CCC(C)CC1)c1cccc(Br)c1 ZINC000043022964 213552560 /nfs/dbraw/zinc/55/25/60/213552560.db2.gz OVCYHKIWFWBXOG-OXOOOYADSA-N 1 0 326.278 4.433 10 0 EIAERO c1ccc(C2(c3ccccc3)[C@@H]3CCCC[C@@]32[NH+]2CCOCC2)cc1 ZINC000049573770 214020623 /nfs/dbraw/zinc/02/06/23/214020623.db2.gz PWZUQIVWKUKDND-FGZHOGPDSA-N 1 0 333.475 4.248 10 0 EIAERO CC(C)C[C@H](C[NH+](C)C)NCc1csc(-c2ccc(F)cc2)n1 ZINC000097393863 219022210 /nfs/dbraw/zinc/02/22/10/219022210.db2.gz MBDHMOIIEDLGRB-MRXNPFEDSA-N 1 0 335.492 4.015 10 0 EIAERO C[C@@H]1[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238853143 258001133 /nfs/dbraw/zinc/00/11/33/258001133.db2.gz ILMMOMVUQUFKMT-KMOPNRPKSA-N 1 0 346.515 4.445 10 0 EIAERO C[NH+]1CCN(c2cc(-c3ccsc3)nc3ccc(Cl)cc32)CC1 ZINC000253495167 536418172 /nfs/dbraw/zinc/41/81/72/536418172.db2.gz CQZXWRLBLFJEPB-UHFFFAOYSA-N 1 0 343.883 4.369 10 0 EIAERO Clc1sc([C@@H]2[NH2+]CCc3sccc32)cc1Br ZINC000397201143 568417449 /nfs/dbraw/zinc/41/74/49/568417449.db2.gz WCSNREFDTBKCLS-SNVBAGLBSA-N 1 0 334.691 4.461 10 0 EIAERO CC(C)OCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000013721649 563716756 /nfs/dbraw/zinc/71/67/56/563716756.db2.gz ROBSBCPOJQBTDR-UHFFFAOYSA-N 1 0 331.431 4.309 10 0 EIAERO OCCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000013726830 563718754 /nfs/dbraw/zinc/71/87/54/563718754.db2.gz GARIDBBRAMJWCD-UHFFFAOYSA-N 1 0 333.859 4.171 10 0 EIAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cc(Cl)ccc2Cl)C1 ZINC000675055794 564111934 /nfs/dbraw/zinc/11/19/34/564111934.db2.gz YGQQSCJLHYIUEY-FZMZJTMJSA-N 1 0 345.270 4.311 10 0 EIAERO c1cnn(-c2ccccc2C[NH2+]Cc2cccn2Cc2cccs2)c1 ZINC000120177747 1032114206 /nfs/dbraw/zinc/11/42/06/1032114206.db2.gz HJLAVMXLWLCRHN-UHFFFAOYSA-N 1 0 348.475 4.073 10 0 EIAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000122874373 1031082839 /nfs/dbraw/zinc/08/28/39/1031082839.db2.gz UKZQYXUZPKLBIO-DKICVRJWSA-N 1 0 343.540 4.321 10 0 EIAERO C[NH+](C)CCCCCCCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000118066372 1031343613 /nfs/dbraw/zinc/34/36/13/1031343613.db2.gz RSTSQWZYWFSLGM-UHFFFAOYSA-N 1 0 349.544 4.059 10 0 EIAERO COc1ccc([C@H](N[C@H](C)CSC(C)(C)C)c2nccn2C)cc1 ZINC000129115685 1031779638 /nfs/dbraw/zinc/77/96/38/1031779638.db2.gz WDLLXVYJXLLBIW-PBHICJAKSA-N 1 0 347.528 4.028 10 0 EIAERO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788730 1039588177 /nfs/dbraw/zinc/58/81/77/1039588177.db2.gz OASPDQBARVCGQX-ZDUSSCGKSA-N 1 0 342.443 4.052 10 0 EIAERO CC[C@H](C[NH2+]C(C)(C)C)N(C)Cc1cccc(Br)c1 ZINC000052545112 214133110 /nfs/dbraw/zinc/13/31/10/214133110.db2.gz KPISOQDLZRDBLI-OAHLLOKOSA-N 1 0 327.310 4.048 10 0 EIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccccc2I)o1 ZINC000052924337 214154485 /nfs/dbraw/zinc/15/44/85/214154485.db2.gz DGNVSCWBGGSRKT-JTQLQIEISA-N 1 0 341.192 4.222 10 0 EIAERO C[C@H]1CCCC[C@@H]1[N@H+](C)CCNCc1cc(Br)cs1 ZINC000053439266 214182524 /nfs/dbraw/zinc/18/25/24/214182524.db2.gz IAXTWWMMLPLAMS-WFASDCNBSA-N 1 0 345.350 4.111 10 0 EIAERO C[C@@H](C[NH2+]C1CCCC1)Oc1ccc(Cl)cc1Br ZINC000053567782 214189362 /nfs/dbraw/zinc/18/93/62/214189362.db2.gz AYIVQZOLZDPNIN-JTQLQIEISA-N 1 0 332.669 4.402 10 0 EIAERO C[NH2+][C@@H](Cc1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000053789423 214198933 /nfs/dbraw/zinc/19/89/33/214198933.db2.gz CXQAHGAUMNKHRB-HNNXBMFYSA-N 1 0 326.184 4.231 10 0 EIAERO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055197536 214287239 /nfs/dbraw/zinc/28/72/39/214287239.db2.gz ICVVNIFYTFDISA-INIZCTEOSA-N 1 0 336.435 4.297 10 0 EIAERO COc1ccc([C@@H](C[NH3+])Sc2cccc(Br)c2)cc1 ZINC000055307377 214303663 /nfs/dbraw/zinc/30/36/63/214303663.db2.gz XTOHAOZPTRPKPH-OAHLLOKOSA-N 1 0 338.270 4.250 10 0 EIAERO C[NH2+][C@@H](Cc1ccccc1Br)c1cc(F)ccc1F ZINC000055335544 214308980 /nfs/dbraw/zinc/30/89/80/214308980.db2.gz UMTUTPCFWYFFAH-HNNXBMFYSA-N 1 0 326.184 4.231 10 0 EIAERO Cc1ccc2cc(-c3n[nH]c4ccc(NC5CC[NH2+]CC5)cc43)[nH]c2c1 ZINC000066077825 215006375 /nfs/dbraw/zinc/00/63/75/215006375.db2.gz HOVIRZRWYMMTJB-UHFFFAOYSA-N 1 0 345.450 4.184 10 0 EIAERO CCC[NH2+][C@@H](C1=CCCC1)c1ccc(I)cc1 ZINC000104006512 219337834 /nfs/dbraw/zinc/33/78/34/219337834.db2.gz QERVEJIOJFLSIB-HNNXBMFYSA-N 1 0 341.236 4.442 10 0 EIAERO C[C@@H]1CCCC[C@H]1[N@H+](C)CCOc1cccc(Br)c1 ZINC000103973472 219334907 /nfs/dbraw/zinc/33/49/07/219334907.db2.gz KVVYBHARXFPSLB-CZUORRHYSA-N 1 0 326.278 4.338 10 0 EIAERO CCC1(CC)CCN([C@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000104160459 219354315 /nfs/dbraw/zinc/35/43/15/219354315.db2.gz NXVWBAYDLQHZRS-CYBMUJFWSA-N 1 0 345.350 4.413 10 0 EIAERO CC[C@H]1CCCC[C@H]1Oc1ccc(CC[NH3+])cc1Br ZINC000104382338 219382773 /nfs/dbraw/zinc/38/27/73/219382773.db2.gz MDHWAPWKJQYIKV-DZGCQCFKSA-N 1 0 326.278 4.298 10 0 EIAERO [NH3+]C[C@H](Oc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000104426685 219386252 /nfs/dbraw/zinc/38/62/52/219386252.db2.gz UREKWIORKKTJFY-AWEZNQCLSA-N 1 0 344.611 4.320 10 0 EIAERO c1ccc2[nH]c(Oc3ccc(OCC[NH+]4CCCCC4)cc3)nc2c1 ZINC000038356699 213207794 /nfs/dbraw/zinc/20/77/94/213207794.db2.gz CISXJTCZYBKDPY-UHFFFAOYSA-N 1 0 337.423 4.220 10 0 EIAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(OC)c(Br)c1 ZINC000038074091 213199239 /nfs/dbraw/zinc/19/92/39/213199239.db2.gz FPCDLNDRPOXSKZ-HNNXBMFYSA-N 1 0 340.286 4.445 10 0 EIAERO CCCCCOc1c(Br)cc(C[NH2+]CC)cc1OC ZINC000036815026 213120489 /nfs/dbraw/zinc/12/04/89/213120489.db2.gz WKZFUDYSGNHTJR-UHFFFAOYSA-N 1 0 330.266 4.136 10 0 EIAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cc(Br)ccc2F)C1 ZINC000036750525 213115576 /nfs/dbraw/zinc/11/55/76/213115576.db2.gz KFSFHEXJFBGHJO-NEPJUHHUSA-N 1 0 329.257 4.121 10 0 EIAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1cc(Br)ccc1Cl ZINC000035586313 213040563 /nfs/dbraw/zinc/04/05/63/213040563.db2.gz PRCSPXBDCSCZHN-ZDUSSCGKSA-N 1 0 342.668 4.109 10 0 EIAERO CCC(CC)[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Br ZINC000035496759 213032891 /nfs/dbraw/zinc/03/28/91/213032891.db2.gz ZFWAOVVFBLRYBN-HNNXBMFYSA-N 1 0 330.266 4.163 10 0 EIAERO C[NH2+][C@H](c1ccc(Br)o1)c1ccc(OC)c(Cl)c1 ZINC000035461641 213030723 /nfs/dbraw/zinc/03/07/23/213030723.db2.gz XTUGGXYXZOJQIV-ZDUSSCGKSA-N 1 0 330.609 4.013 10 0 EIAERO C[NH2+][C@H](c1ccc(OC)c(Cl)c1)c1ccccc1Br ZINC000035462187 213030435 /nfs/dbraw/zinc/03/04/35/213030435.db2.gz SMMCZYXHUOHKBP-OAHLLOKOSA-N 1 0 340.648 4.420 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2cc(Br)ccc2Cl)cc1F ZINC000035424443 213027068 /nfs/dbraw/zinc/02/70/68/213027068.db2.gz SUGYOIQSHXEMQL-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO C[NH2+][C@H](c1ccccc1Cl)c1cc(Br)ccc1OC ZINC000035456114 213030008 /nfs/dbraw/zinc/03/00/08/213030008.db2.gz UFGNXIYEAZDOHQ-OAHLLOKOSA-N 1 0 340.648 4.420 10 0 EIAERO [NH3+]Cc1ccc(CSc2ccccc2Br)c(F)c1 ZINC000035722105 213047812 /nfs/dbraw/zinc/04/78/12/213047812.db2.gz KFLJIIQLOAGMMV-UHFFFAOYSA-N 1 0 326.234 4.339 10 0 EIAERO [NH3+]CCc1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000037720950 213162603 /nfs/dbraw/zinc/16/26/03/213162603.db2.gz ZVZGKSNFVLPFME-UHFFFAOYSA-N 1 0 340.648 4.183 10 0 EIAERO CCCOc1c(Cl)cc(Cl)cc1CNC[C@H]1CCC[N@@H+]1CC ZINC000020967974 212193137 /nfs/dbraw/zinc/19/31/37/212193137.db2.gz BLBYTXSMFDBTFG-OAHLLOKOSA-N 1 0 345.314 4.356 10 0 EIAERO CCCOc1c(C[NH2+]C(C)(C)C)cc(Br)cc1OC ZINC000020934047 212190590 /nfs/dbraw/zinc/19/05/90/212190590.db2.gz ZJNDMTKMOKMVJQ-UHFFFAOYSA-N 1 0 330.266 4.135 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]CCCOCC)cc1OCC ZINC000020931913 212190366 /nfs/dbraw/zinc/19/03/66/212190366.db2.gz HPJDSSNMXCJATM-UHFFFAOYSA-N 1 0 329.868 4.044 10 0 EIAERO Cc1ccc(COc2ccccc2C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000020873652 212180559 /nfs/dbraw/zinc/18/05/59/212180559.db2.gz JJLSSRIQKLLFEJ-QFIPXVFZSA-N 1 0 347.458 4.397 10 0 EIAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000020586643 212149952 /nfs/dbraw/zinc/14/99/52/212149952.db2.gz BLEWPMXOFOKDEW-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO O=C1CC[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]2N1CC1CCCCC1 ZINC000020534297 212144579 /nfs/dbraw/zinc/14/45/79/212144579.db2.gz YGHSAQBPEJMKNA-QUCCMNQESA-N 1 0 332.532 4.212 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])Cc1ccccc1 ZINC000019967838 212091952 /nfs/dbraw/zinc/09/19/52/212091952.db2.gz JZHYBGNDTNNJBS-AWEZNQCLSA-N 1 0 340.648 4.354 10 0 EIAERO Cc1cc(Br)cc(C)c1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000020033044 212095337 /nfs/dbraw/zinc/09/53/37/212095337.db2.gz JRFDJEMJMHOBIJ-HNNXBMFYSA-N 1 0 347.256 4.095 10 0 EIAERO COc1ccc(CC[NH2+][C@H](C)c2cccc(Br)c2)cc1 ZINC000019907351 212082059 /nfs/dbraw/zinc/08/20/59/212082059.db2.gz ZAJWMEXTURMTII-CYBMUJFWSA-N 1 0 334.257 4.351 10 0 EIAERO [NH3+][C@H](c1ccccc1)c1cc(Br)ccc1Br ZINC000019969178 212091907 /nfs/dbraw/zinc/09/19/07/212091907.db2.gz FXLNBHKHUPMCGZ-CYBMUJFWSA-N 1 0 341.046 4.260 10 0 EIAERO CC(C)C[C@@H](O)c1ccc2c(c1)C[N@@H+](CCc1ccccc1)CCO2 ZINC000011882473 211264270 /nfs/dbraw/zinc/26/42/70/211264270.db2.gz VVVHJUNQTPTRNW-OAQYLSRUSA-N 1 0 339.479 4.203 10 0 EIAERO COc1ccc2c(c1OC)CC[C@@H]1[C@@H]2CCC[N@@H+]1Cc1ccccc1 ZINC000095067802 218271356 /nfs/dbraw/zinc/27/13/56/218271356.db2.gz LIHJSHDMROABRA-UYAOXDASSA-N 1 0 337.463 4.398 10 0 EIAERO FC(F)(F)SCCC[NH2+]Cc1cccc(Br)c1 ZINC000095918381 218449340 /nfs/dbraw/zinc/44/93/40/218449340.db2.gz IWVZSVDVHMRWIJ-UHFFFAOYSA-N 1 0 328.197 4.182 10 0 EIAERO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238857080 258001170 /nfs/dbraw/zinc/00/11/70/258001170.db2.gz YASBDTKCNDHYRQ-BDJZZAGISA-N 1 0 346.515 4.445 10 0 EIAERO Cc1ccc[n+](Cc2ccccc2NC(=S)Nc2ccccc2)c1 ZINC000048523333 564031778 /nfs/dbraw/zinc/03/17/78/564031778.db2.gz UIDHCTQJTYONIE-UHFFFAOYSA-O 1 0 334.468 4.140 10 0 EIAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000675054266 564081119 /nfs/dbraw/zinc/08/11/19/564081119.db2.gz MPUWZIMGXDZBQC-KGLIPLIRSA-N 1 0 345.270 4.311 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000675055522 564111797 /nfs/dbraw/zinc/11/17/97/564111797.db2.gz VADLMAJSXJAVLB-KBPBESRZSA-N 1 0 345.270 4.393 10 0 EIAERO CC(C)c1noc([C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C2CCOCC2)n1 ZINC000328635721 564137113 /nfs/dbraw/zinc/13/71/13/564137113.db2.gz UXQZEDMNBRUBNE-RCCFBDPRSA-N 1 0 347.503 4.219 10 0 EIAERO Cc1ccc(C(C)(C)C)c(O[C@@H](C[NH3+])C(F)(F)C(F)(F)F)c1 ZINC000616569167 564177298 /nfs/dbraw/zinc/17/72/98/564177298.db2.gz IPAXPMDLBGDFIP-LBPRGKRZSA-N 1 0 325.321 4.196 10 0 EIAERO CC[C@@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1ccccc1OC ZINC000128220941 1031729553 /nfs/dbraw/zinc/72/95/53/1031729553.db2.gz JEQRPUVSPNCHLM-LJQANCHMSA-N 1 0 339.483 4.108 10 0 EIAERO Cc1ccccc1[C@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000119420783 1031928593 /nfs/dbraw/zinc/92/85/93/1031928593.db2.gz GAFKGMFNBZHDIB-SFHVURJKSA-N 1 0 328.500 4.171 10 0 EIAERO Cc1ccc(-c2ccc(C[NH+]3CCC(n4cncn4)CC3)s2)cc1 ZINC000092648084 1039572559 /nfs/dbraw/zinc/57/25/59/1039572559.db2.gz HJGWYBIYXMNJRO-UHFFFAOYSA-N 1 0 338.480 4.152 10 0 EIAERO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788731 1039591831 /nfs/dbraw/zinc/59/18/31/1039591831.db2.gz OASPDQBARVCGQX-CYBMUJFWSA-N 1 0 342.443 4.052 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(Cl)s2)c(Br)c1 ZINC000051171831 214082319 /nfs/dbraw/zinc/08/23/19/214082319.db2.gz NYTFJCXWBYOIRN-LBPRGKRZSA-N 1 0 332.650 4.221 10 0 EIAERO C[C@H]([NH3+])[C@H](OCC1CCCCC1)c1cc(Br)cs1 ZINC000052147410 214120237 /nfs/dbraw/zinc/12/02/37/214120237.db2.gz CHPGARXHALFDSA-HZMBPMFUSA-N 1 0 332.307 4.496 10 0 EIAERO CC[C@@H](C[NH2+]C(C)(C)C)N(C)Cc1cc(Br)cs1 ZINC000052516935 214131564 /nfs/dbraw/zinc/13/15/64/214131564.db2.gz LJOVMFRMXTWARR-LBPRGKRZSA-N 1 0 333.339 4.109 10 0 EIAERO [NH3+][C@H](Cc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000053816752 214199756 /nfs/dbraw/zinc/19/97/56/214199756.db2.gz PMHZLHCZQNHTCT-CQSZACIVSA-N 1 0 328.612 4.484 10 0 EIAERO C[N@H+](CC[C@H](O)c1cccc(Br)c1)C1CCCCC1 ZINC000053972553 214207628 /nfs/dbraw/zinc/20/76/28/214207628.db2.gz IKEAIHLJGCKIQV-INIZCTEOSA-N 1 0 326.278 4.137 10 0 EIAERO O[C@H](CC[NH+]1CCCCCCC1)c1cccc(Br)c1 ZINC000053972585 214207921 /nfs/dbraw/zinc/20/79/21/214207921.db2.gz NNMDRBNHRKOROO-MRXNPFEDSA-N 1 0 326.278 4.139 10 0 EIAERO CC[C@@H]1CCC(=O)[C@H](C[N@H+](C)Cc2csc(Br)c2)C1 ZINC000053930169 214204572 /nfs/dbraw/zinc/20/45/72/214204572.db2.gz LFJCKJIMCCCFJE-YPMHNXCESA-N 1 0 344.318 4.338 10 0 EIAERO CC[C@H]1CCC(=O)[C@H](C[N@H+](C)Cc2csc(Br)c2)C1 ZINC000053930170 214204987 /nfs/dbraw/zinc/20/49/87/214204987.db2.gz LFJCKJIMCCCFJE-AAEUAGOBSA-N 1 0 344.318 4.338 10 0 EIAERO C[NH2+][C@H](C)c1sc(Cc2ccccc2Br)nc1C ZINC000055335743 214309154 /nfs/dbraw/zinc/30/91/54/214309154.db2.gz RIYKQJYXFWOLGD-SECBINFHSA-N 1 0 325.275 4.085 10 0 EIAERO CC[NH2+][C@H](Cc1cccs1)Cc1cc(Br)cs1 ZINC000060707126 214646674 /nfs/dbraw/zinc/64/66/74/214646674.db2.gz ZHQQMSLYBOMDLJ-LLVKDONJSA-N 1 0 330.316 4.335 10 0 EIAERO C[NH2+][C@@H](C)c1ccc(OCc2cccs2)c(Br)c1 ZINC000061699707 214673341 /nfs/dbraw/zinc/67/33/41/214673341.db2.gz WQFDMCBKGAPENB-JTQLQIEISA-N 1 0 326.259 4.370 10 0 EIAERO Cc1ccc2cc(-c3n[nH]c4ccc(N[C@H]5CCC[NH2+]C5)cc43)[nH]c2c1 ZINC000066077225 215006423 /nfs/dbraw/zinc/00/64/23/215006423.db2.gz FDGMBQPEHIDLGV-INIZCTEOSA-N 1 0 345.450 4.184 10 0 EIAERO COc1ccc2c(c1)C(=O)[C@H](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000003814274 210077271 /nfs/dbraw/zinc/07/72/71/210077271.db2.gz COHVPSBMXDXOIU-HXUWFJFHSA-N 1 0 349.474 4.353 10 0 EIAERO CC[C@H]([NH3+])[C@H](Sc1ccccn1)c1cccc(Br)c1 ZINC000043024437 213553899 /nfs/dbraw/zinc/55/38/99/213553899.db2.gz KMENUMDMJDMDCU-DZGCQCFKSA-N 1 0 337.286 4.415 10 0 EIAERO CCOC(=O)C(C)(C)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000067739244 215198657 /nfs/dbraw/zinc/19/86/57/215198657.db2.gz UECSLJTYVPGWCZ-UHFFFAOYSA-N 1 0 325.452 4.278 10 0 EIAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2csc(Br)c2)s1 ZINC000042360731 213496849 /nfs/dbraw/zinc/49/68/49/213496849.db2.gz VVNMBCPOKWYNJI-NSHDSACASA-N 1 0 345.331 4.012 10 0 EIAERO CC[C@H](C[NH2+]CC(C)C)Cc1ccc(OC)c(Br)c1 ZINC000104008872 219337760 /nfs/dbraw/zinc/33/77/60/219337760.db2.gz XSZGCEIKKUSXFH-ZDUSSCGKSA-N 1 0 328.294 4.272 10 0 EIAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000068592763 215321011 /nfs/dbraw/zinc/32/10/11/215321011.db2.gz UWLUEWFMYQFHBU-KYHPRHEASA-N 1 0 332.488 4.056 10 0 EIAERO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592893 215321515 /nfs/dbraw/zinc/32/15/15/215321515.db2.gz WJXVFKYBSHGCGK-LISAXSMJSA-N 1 0 332.488 4.199 10 0 EIAERO C[C@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000068592995 215321904 /nfs/dbraw/zinc/32/19/04/215321904.db2.gz XQHWJVYZQCZBNX-BVIKNXMNSA-N 1 0 332.488 4.056 10 0 EIAERO CC(C)C[C@H](C)N(C)c1cc(Br)ccc1C[C@@H](C)[NH3+] ZINC000104274586 219368615 /nfs/dbraw/zinc/36/86/15/219368615.db2.gz MVJLAIBBPVBQOC-OLZOCXBDSA-N 1 0 327.310 4.210 10 0 EIAERO [NH3+][C@H](COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000104323490 219374000 /nfs/dbraw/zinc/37/40/00/219374000.db2.gz SOSYRCRIZGOKMH-CYBMUJFWSA-N 1 0 326.621 4.181 10 0 EIAERO CCC[NH2+][C@H](Cc1ccc(Br)s1)c1cc(C)ccn1 ZINC000104409844 219384693 /nfs/dbraw/zinc/38/46/93/219384693.db2.gz IYTCZAQYWPWXCR-CQSZACIVSA-N 1 0 339.302 4.497 10 0 EIAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(Br)c1 ZINC000038009441 213188251 /nfs/dbraw/zinc/18/82/51/213188251.db2.gz OHYVYKOIJGPJCK-WBMJQRKESA-N 1 0 332.241 4.103 10 0 EIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC000037984423 213183625 /nfs/dbraw/zinc/18/36/25/213183625.db2.gz ZNQAQQGZUUUVTR-QWHCGFSZSA-N 1 0 347.256 4.127 10 0 EIAERO [NH3+][C@@H](c1cc(F)ccc1F)c1cc(Br)ccc1Cl ZINC000037287791 213139384 /nfs/dbraw/zinc/13/93/84/213139384.db2.gz KATOCHAKPPIXQH-CYBMUJFWSA-N 1 0 332.575 4.429 10 0 EIAERO COc1ccc([C@H]([NH3+])c2cc(Br)ccc2Cl)c(C)c1 ZINC000037287853 213138958 /nfs/dbraw/zinc/13/89/58/213138958.db2.gz GHLQKUZQEKRXOW-HNNXBMFYSA-N 1 0 340.648 4.468 10 0 EIAERO CCOc1cc(Br)c([C@H]([NH3+])[C@H](C)CC)cc1OCC ZINC000037332798 213140078 /nfs/dbraw/zinc/14/00/78/213140078.db2.gz JTPIYLLFIIYDNG-MEBBXXQBSA-N 1 0 330.266 4.292 10 0 EIAERO Cc1cc(Br)ccc1-n1c(N)[nH+]c2cccc(Cl)c21 ZINC000036899385 213126138 /nfs/dbraw/zinc/12/61/38/213126138.db2.gz KQUJRMYAEXWWEN-UHFFFAOYSA-N 1 0 336.620 4.332 10 0 EIAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cc(Br)ccc2F)C1 ZINC000036750528 213116475 /nfs/dbraw/zinc/11/64/75/213116475.db2.gz KFSFHEXJFBGHJO-VXGBXAGGSA-N 1 0 329.257 4.121 10 0 EIAERO C[N@H+]([C@H](CN)c1cccc(Br)c1)C1CCCCCC1 ZINC000036328220 213084607 /nfs/dbraw/zinc/08/46/07/213084607.db2.gz VMPWSHBRODMRLM-MRXNPFEDSA-N 1 0 325.294 4.104 10 0 EIAERO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)Cc2ccccc2)o1 ZINC000036097667 213064909 /nfs/dbraw/zinc/06/49/09/213064909.db2.gz BIKRCILPWUXMHZ-NRFANRHFSA-N 1 0 335.447 4.194 10 0 EIAERO CC[NH2+][C@H](c1cc(Cl)cc(Br)c1OC)[C@H]1C[C@@H]1C ZINC000035509896 213035168 /nfs/dbraw/zinc/03/51/68/213035168.db2.gz LHQWNQUTWNGDSU-FWDPORAESA-N 1 0 332.669 4.418 10 0 EIAERO CCOc1ccc(Br)cc1[C@H]([NH2+]C)c1cccs1 ZINC000035505499 213033927 /nfs/dbraw/zinc/03/39/27/213033927.db2.gz CMZLSOJXSNLEPI-AWEZNQCLSA-N 1 0 326.259 4.218 10 0 EIAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Br ZINC000035496647 213032592 /nfs/dbraw/zinc/03/25/92/213032592.db2.gz MOUGPHQVUMLEGT-MEBBXXQBSA-N 1 0 330.266 4.163 10 0 EIAERO C[NH2+][C@H](c1cccc(Cl)c1)c1cc(Br)ccc1OC ZINC000035456691 213030278 /nfs/dbraw/zinc/03/02/78/213030278.db2.gz UGSBQTPGQZTLIF-OAHLLOKOSA-N 1 0 340.648 4.420 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(Br)s2)cc1Cl ZINC000035381610 213024530 /nfs/dbraw/zinc/02/45/30/213024530.db2.gz GWQCEKKKDNDYFF-LBPRGKRZSA-N 1 0 332.650 4.221 10 0 EIAERO [NH3+][C@H](Cc1ccc2ccccc2n1)c1cccc(Br)c1 ZINC000034940423 213001983 /nfs/dbraw/zinc/00/19/83/213001983.db2.gz XXLPVTUFMPMARW-MRXNPFEDSA-N 1 0 327.225 4.240 10 0 EIAERO O=C(NCC1CC1)[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000034733777 212984375 /nfs/dbraw/zinc/98/43/75/212984375.db2.gz YMOSAYYMOZAAQK-FCHUYYIVSA-N 1 0 348.490 4.166 10 0 EIAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1ccc(OC)c(Br)c1 ZINC000035455670 213030109 /nfs/dbraw/zinc/03/01/09/213030109.db2.gz DGUFLWYUOPZHPB-HNNXBMFYSA-N 1 0 340.648 4.420 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2)c(Cl)c1 ZINC000036767619 213117809 /nfs/dbraw/zinc/11/78/09/213117809.db2.gz ZERKUFUJPMFPPJ-CQSZACIVSA-N 1 0 326.621 4.159 10 0 EIAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cc(Br)ccc1Cl ZINC000036822894 213120704 /nfs/dbraw/zinc/12/07/04/213120704.db2.gz OZNONUNJQBDEQJ-HNNXBMFYSA-N 1 0 340.648 4.468 10 0 EIAERO C[NH2+]Cc1cnccc1Oc1ccc(Cl)cc1Br ZINC000029046202 212650313 /nfs/dbraw/zinc/65/03/13/212650313.db2.gz XWGDWRZGNMYDDL-UHFFFAOYSA-N 1 0 327.609 4.009 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Cl)s2)cc1Br ZINC000038074041 213199031 /nfs/dbraw/zinc/19/90/31/213199031.db2.gz LEMVKQANFYZIJP-GFCCVEGCSA-N 1 0 332.650 4.221 10 0 EIAERO COc1ccc([C@H]([NH3+])c2cc(C)sc2C)cc1Br ZINC000038074043 213199448 /nfs/dbraw/zinc/19/94/48/213199448.db2.gz NCGYKPINKOELPF-AWEZNQCLSA-N 1 0 326.259 4.184 10 0 EIAERO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000022936774 212337208 /nfs/dbraw/zinc/33/72/08/212337208.db2.gz MXRDXGZCYUATPP-OAQYLSRUSA-N 1 0 338.495 4.148 10 0 EIAERO COc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CC[NH2+]CC1 ZINC000022062261 212273644 /nfs/dbraw/zinc/27/36/44/212273644.db2.gz ARUFAUXFQSCDIE-UHFFFAOYSA-N 1 0 340.854 4.028 10 0 in-vitro EIAERO CCc1cc2c(ncnc2NCC[N@@H+](CC)Cc2ccccc2)s1 ZINC000021651697 212237053 /nfs/dbraw/zinc/23/70/53/212237053.db2.gz QSYPZBWUQBHLFI-UHFFFAOYSA-N 1 0 340.496 4.188 10 0 EIAERO CCCOc1ccc(C[NH2+]CCc2ccccc2OC)cc1Cl ZINC000020925713 212188809 /nfs/dbraw/zinc/18/88/09/212188809.db2.gz IPPJCQYXWFIIDB-UHFFFAOYSA-N 1 0 333.859 4.470 10 0 EIAERO COc1cccc(C[NH2+]C2CC2)c1OCc1ccc(F)cc1Cl ZINC000020876276 212182335 /nfs/dbraw/zinc/18/23/35/212182335.db2.gz PGIHMTNZEWYVDY-UHFFFAOYSA-N 1 0 335.806 4.319 10 0 EIAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCN(C)C)cc1 ZINC000020874246 212180743 /nfs/dbraw/zinc/18/07/43/212180743.db2.gz SLDGWZWJTICFCR-UHFFFAOYSA-N 1 0 348.490 4.378 10 0 EIAERO C[NH2+]CCCNCc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874254 212180358 /nfs/dbraw/zinc/18/03/58/212180358.db2.gz FFKQRGLLDJWEJX-UHFFFAOYSA-N 1 0 348.490 4.426 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2Cl)cc1Br ZINC000020522116 212143544 /nfs/dbraw/zinc/14/35/44/212143544.db2.gz CFTXICQFVVFXRQ-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO CC[N@H+]([C@@H](CN)c1cc(Br)cs1)C1CCCCC1 ZINC000020475224 212135562 /nfs/dbraw/zinc/13/55/62/212135562.db2.gz ODMPAWBUNVLZLT-ZDUSSCGKSA-N 1 0 331.323 4.165 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000019967864 212091476 /nfs/dbraw/zinc/09/14/76/212091476.db2.gz OWDBWWJQSUPRKX-ZDUSSCGKSA-N 1 0 344.611 4.298 10 0 EIAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 ZINC000019795875 212068550 /nfs/dbraw/zinc/06/85/50/212068550.db2.gz QKJBHRSNQDKLBS-CQSZACIVSA-N 1 0 337.648 4.123 10 0 EIAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3c2cccc3Cl)CC1 ZINC000079027379 217176777 /nfs/dbraw/zinc/17/67/77/217176777.db2.gz QWKNKELTUAQWSN-AWEZNQCLSA-N 1 0 336.863 4.012 10 0 EIAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)c1cncc(Br)c1 ZINC000011832139 211254721 /nfs/dbraw/zinc/25/47/21/211254721.db2.gz YGGRHHNXMDWSFO-LBPRGKRZSA-N 1 0 332.028 4.199 10 0 EIAERO C[N@@H+]1CCc2cc(Cl)c(O)cc2[C@H](c2cccc3ccoc32)C1 ZINC000006523795 560206108 /nfs/dbraw/zinc/20/61/08/560206108.db2.gz RUSANBIFMAXXSJ-INIZCTEOSA-N 1 0 327.811 4.412 10 0 in-vitro EIAERO Clc1sc([C@H]2[NH2+]CCc3ccsc32)cc1Br ZINC000712562697 563474008 /nfs/dbraw/zinc/47/40/08/563474008.db2.gz LWQFELMZCJHQCC-SECBINFHSA-N 1 0 334.691 4.461 10 0 EIAERO CCOc1c(C[NH2+]C(C)(C)CC)cc(Br)cc1OC ZINC000013725140 563718505 /nfs/dbraw/zinc/71/85/05/563718505.db2.gz KAKYOHCSJPONOQ-UHFFFAOYSA-N 1 0 330.266 4.135 10 0 EIAERO C[C@H](C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591137 563963231 /nfs/dbraw/zinc/96/32/31/563963231.db2.gz YERZZRPSSPYLCE-NEWSRXKRSA-N 1 0 346.515 4.463 10 0 EIAERO CC(C)[NH2+]CC[C@H](CNC(=O)OC(C)(C)C)c1c[nH]c2ccccc21 ZINC000725269298 563987646 /nfs/dbraw/zinc/98/76/46/563987646.db2.gz PIGXJRUXMSMXOJ-OAHLLOKOSA-N 1 0 345.487 4.164 10 0 EIAERO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@@H+](C2CCC2)C1 ZINC000012709965 564063519 /nfs/dbraw/zinc/06/35/19/564063519.db2.gz ZYXIAJPEKKTRAD-FTUXVVSKSA-N 1 0 327.468 4.288 10 0 EIAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000675055793 564111929 /nfs/dbraw/zinc/11/19/29/564111929.db2.gz YGQQSCJLHYIUEY-BXUZGUMPSA-N 1 0 345.270 4.311 10 0 EIAERO CC1CCC(CC[NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000315509637 564117023 /nfs/dbraw/zinc/11/70/23/564117023.db2.gz ZGTZJELAMQHGCM-UHFFFAOYSA-N 1 0 326.278 4.461 10 0 EIAERO C[C@@H](c1nc(-c2cccnc2)no1)N1CC=C(c2cccs2)CC1 ZINC000117896178 1031267939 /nfs/dbraw/zinc/26/79/39/1031267939.db2.gz MDPRWLOMCGYYBR-ZDUSSCGKSA-N 1 0 338.436 4.043 10 0 EIAERO COc1ccc([C@@H](N[C@@H](C)CSC(C)(C)C)c2nccn2C)cc1 ZINC000129115901 1031780715 /nfs/dbraw/zinc/78/07/15/1031780715.db2.gz WDLLXVYJXLLBIW-WMLDXEAASA-N 1 0 347.528 4.028 10 0 EIAERO CCCCCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000084604530 1038793658 /nfs/dbraw/zinc/79/36/58/1038793658.db2.gz FCFUNEDMFUFLCA-PKOBYXMFSA-N 1 0 345.531 4.015 10 0 EIAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000093564447 1039715666 /nfs/dbraw/zinc/71/56/66/1039715666.db2.gz CVEIFBLXJBNGGP-DNVCBOLYSA-N 1 0 338.451 4.032 10 0 EIAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)N(C)Cc1csc(Br)c1 ZINC000052547508 214133044 /nfs/dbraw/zinc/13/30/44/214133044.db2.gz FOOKYSOQWPCGSO-CYBMUJFWSA-N 1 0 347.366 4.355 10 0 EIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(I)cc2)o1 ZINC000052924351 214154546 /nfs/dbraw/zinc/15/45/46/214154546.db2.gz CGHYQCFHQITQMH-JTQLQIEISA-N 1 0 341.192 4.222 10 0 EIAERO C[C@H]1CCCC[C@H]1[N@H+](C)CCNCc1cc(Br)cs1 ZINC000053439273 214182666 /nfs/dbraw/zinc/18/26/66/214182666.db2.gz IAXTWWMMLPLAMS-SWLSCSKDSA-N 1 0 345.350 4.111 10 0 EIAERO C[NH2+][C@H](Cc1ccc(F)cc1Br)c1cccc(F)c1 ZINC000053789863 214198712 /nfs/dbraw/zinc/19/87/12/214198712.db2.gz ZSTWIHFTYUMVOX-OAHLLOKOSA-N 1 0 326.184 4.231 10 0 EIAERO CCCC[N@H+](CC[C@@H](N)c1cccc(Br)c1)C1CC1 ZINC000053940865 214205229 /nfs/dbraw/zinc/20/52/29/214205229.db2.gz QECNZJVJEWWPOK-MRXNPFEDSA-N 1 0 325.294 4.104 10 0 EIAERO CC(C)C[N@H+](CCC(=O)c1ccccc1Br)C(C)C ZINC000054014742 214211220 /nfs/dbraw/zinc/21/12/20/214211220.db2.gz DFJUQUYXMZKLFM-UHFFFAOYSA-N 1 0 326.278 4.388 10 0 EIAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC000049598917 214021302 /nfs/dbraw/zinc/02/13/02/214021302.db2.gz RFDFAHJBVPTVIR-AWEZNQCLSA-N 1 0 328.612 4.484 10 0 EIAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1)c1cccs1 ZINC000043108242 213561937 /nfs/dbraw/zinc/56/19/37/213561937.db2.gz TVEQMIHRHWWIIT-TZMCWYRMSA-N 1 0 326.259 4.368 10 0 EIAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Br)cc1F)c1cccs1 ZINC000043110613 213561557 /nfs/dbraw/zinc/56/15/57/213561557.db2.gz QIXJGXXGFKCMEN-AMIZOPFISA-N 1 0 330.222 4.117 10 0 EIAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1cccc(Br)c1 ZINC000043023620 213553947 /nfs/dbraw/zinc/55/39/47/213553947.db2.gz PLTGRQXZVFVRRS-CZPYZCIJSA-N 1 0 326.278 4.433 10 0 EIAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)Cc1ccsc1 ZINC000043020544 213551113 /nfs/dbraw/zinc/55/11/13/213551113.db2.gz YOVNKEDOWRFKBV-IAQYHMDHSA-N 1 0 339.302 4.031 10 0 EIAERO COCC[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067654366 215176216 /nfs/dbraw/zinc/17/62/16/215176216.db2.gz ICVYBAQYEJHMMB-UHFFFAOYSA-N 1 0 334.419 4.013 10 0 EIAERO CC[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1nc(C)c(C)s1 ZINC000067854807 215232236 /nfs/dbraw/zinc/23/22/36/215232236.db2.gz GYAWXARMXHKBGL-KRWDZBQOSA-N 1 0 333.501 4.058 10 0 EIAERO CCc1ccc(C[C@H](C[NH3+])Cc2ccccc2Br)s1 ZINC000104010397 219338759 /nfs/dbraw/zinc/33/87/59/219338759.db2.gz LCSAZDJWXBGWCJ-GFCCVEGCSA-N 1 0 338.314 4.433 10 0 EIAERO C[C@H](C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1)c1ccccc1 ZINC000068591397 215322204 /nfs/dbraw/zinc/32/22/04/215322204.db2.gz DEJQAYTZSHFCQX-APWZRJJASA-N 1 0 346.515 4.321 10 0 EIAERO C[C@@H]1[C@@H](C)[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068593238 215321282 /nfs/dbraw/zinc/32/12/82/215321282.db2.gz ILMMOMVUQUFKMT-LVEJAMMSSA-N 1 0 346.515 4.445 10 0 EIAERO CC[NH2+][C@H]1CC(C)(C)CCc2c(Br)cc(OC)cc21 ZINC000104183898 219356869 /nfs/dbraw/zinc/35/68/69/219356869.db2.gz SGIRSQDHBZQLFY-HNNXBMFYSA-N 1 0 326.278 4.471 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2sccc2Br)c(Cl)c1 ZINC000104291457 219370671 /nfs/dbraw/zinc/37/06/71/219370671.db2.gz RCVBBFGFNNSJCS-LLVKDONJSA-N 1 0 332.650 4.221 10 0 EIAERO Cc1ccc([C@H](C)[NH3+])c(OCc2ccc(Br)s2)c1 ZINC000104328797 219373667 /nfs/dbraw/zinc/37/36/67/219373667.db2.gz PZXFPDRCPLNTAB-JTQLQIEISA-N 1 0 326.259 4.418 10 0 EIAERO Cc1cccc(OCc2nc3ccccc3n2CCC[NH+](C)C)c1C ZINC000040389612 213296541 /nfs/dbraw/zinc/29/65/41/213296541.db2.gz YRZQXJPQFGKXMW-UHFFFAOYSA-N 1 0 337.467 4.184 10 0 EIAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Br)c1)N1CCCCC1 ZINC000038029098 213193164 /nfs/dbraw/zinc/19/31/64/213193164.db2.gz ILAPQAHIWMCHND-STQMWFEESA-N 1 0 343.284 4.113 10 0 EIAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(Br)cc1 ZINC000038009308 213188206 /nfs/dbraw/zinc/18/82/06/213188206.db2.gz ZGNSYDGIACKUSG-LRDDRELGSA-N 1 0 332.241 4.103 10 0 EIAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000037982284 213182172 /nfs/dbraw/zinc/18/21/72/213182172.db2.gz LPZFBVFSMBLYNC-SCLBCKFNSA-N 1 0 348.284 4.396 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@@H](C)C1CC[NH+](C)CC1 ZINC000037772413 213165541 /nfs/dbraw/zinc/16/55/41/213165541.db2.gz HERIXPRNWZQWBC-ZDUSSCGKSA-N 1 0 325.294 4.208 10 0 EIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)c1ccco1 ZINC000037260254 213138129 /nfs/dbraw/zinc/13/81/29/213138129.db2.gz ZNZPPWGQZDBICJ-WDEREUQCSA-N 1 0 341.192 4.296 10 0 EIAERO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2)cc1O ZINC000036348740 213085062 /nfs/dbraw/zinc/08/50/62/213085062.db2.gz FUEMXMKUIIZUMK-JOCHJYFZSA-N 1 0 348.446 4.198 10 0 EIAERO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036098762 213064877 /nfs/dbraw/zinc/06/48/77/213064877.db2.gz RLGAJLMTBTVSFR-UGKGYDQZSA-N 1 0 341.495 4.173 10 0 EIAERO [NH3+]Cc1ccc(CSc2ccc(Br)cc2)c(F)c1 ZINC000035721967 213047643 /nfs/dbraw/zinc/04/76/43/213047643.db2.gz PVAVHUSYQXWSBH-UHFFFAOYSA-N 1 0 326.234 4.339 10 0 EIAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1cc(Br)ccc1Cl ZINC000035586314 213039703 /nfs/dbraw/zinc/03/97/03/213039703.db2.gz PRCSPXBDCSCZHN-CYBMUJFWSA-N 1 0 342.668 4.109 10 0 EIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1cc(Br)ccc1OC ZINC000035572713 213039115 /nfs/dbraw/zinc/03/91/15/213039115.db2.gz NMCXWLWLUBZAAL-NSHDSACASA-N 1 0 340.183 4.451 10 0 EIAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(F)cc1Br ZINC000035540104 213037369 /nfs/dbraw/zinc/03/73/69/213037369.db2.gz QXXAPUZJRWVLCK-HNNXBMFYSA-N 1 0 326.184 4.426 10 0 EIAERO [NH3+]Cc1ccc(F)c(CSc2ccccc2Br)c1 ZINC000035722104 213048070 /nfs/dbraw/zinc/04/80/70/213048070.db2.gz VLVRGJJNTXNHJW-UHFFFAOYSA-N 1 0 326.234 4.339 10 0 EIAERO CC[C@H]([NH3+])Cc1cccc(OCc2ccc(Br)s2)c1 ZINC000037726834 213163945 /nfs/dbraw/zinc/16/39/45/213163945.db2.gz JAYBEEVSPQFCSF-LBPRGKRZSA-N 1 0 340.286 4.369 10 0 EIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(I)o2)cc1 ZINC000037770353 213166214 /nfs/dbraw/zinc/16/62/14/213166214.db2.gz XVAPLGZEMZYFQE-LLVKDONJSA-N 1 0 341.192 4.043 10 0 EIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000022936738 212338023 /nfs/dbraw/zinc/33/80/23/212338023.db2.gz GVGOBMSFIXOZHW-OAQYLSRUSA-N 1 0 338.495 4.148 10 0 EIAERO C[C@H](c1ccc(Br)s1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000226077471 242087027 /nfs/dbraw/zinc/08/70/27/242087027.db2.gz UKUPVFGFKIFUJG-UPJWGTAASA-N 1 0 343.334 4.036 10 0 EIAERO Fc1cc(F)cc(-c2n[nH]c3c2C[N@H+](C/C=C/c2ccco2)CC3)c1 ZINC000020993559 212194895 /nfs/dbraw/zinc/19/48/95/212194895.db2.gz QNQUOCKDCJLWKF-HNQUOIGGSA-N 1 0 341.361 4.019 10 0 EIAERO CCCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCN1CC ZINC000020968022 212192649 /nfs/dbraw/zinc/19/26/49/212192649.db2.gz PDNNWOGCYYHRDL-GOSISDBHSA-N 1 0 326.484 4.203 10 0 EIAERO CCCOc1ccc(C[NH2+]CCCOC(C)C)cc1Br ZINC000020926143 212187647 /nfs/dbraw/zinc/18/76/47/212187647.db2.gz DSODYAAOTLAAAF-UHFFFAOYSA-N 1 0 344.293 4.143 10 0 EIAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000020875110 212180218 /nfs/dbraw/zinc/18/02/18/212180218.db2.gz FXDGAIDIQPYPGW-LJQANCHMSA-N 1 0 345.870 4.496 10 0 EIAERO Cc1ccc(-n2cc(C[NH3+])c(-c3ccc(Br)cc3)n2)cc1 ZINC000020390724 212124852 /nfs/dbraw/zinc/12/48/52/212124852.db2.gz CBWVIFRLCZWUSZ-UHFFFAOYSA-N 1 0 342.240 4.069 10 0 EIAERO [NH3+][C@H](c1ccc(F)cc1Br)c1c(F)cc(F)cc1F ZINC000019971690 212092579 /nfs/dbraw/zinc/09/25/79/212092579.db2.gz FWLCXFAIWMQQIW-CYBMUJFWSA-N 1 0 334.110 4.054 10 0 EIAERO [NH3+][C@@H](c1ccccc1)c1cc(Br)ccc1Br ZINC000019969177 212091817 /nfs/dbraw/zinc/09/18/17/212091817.db2.gz FXLNBHKHUPMCGZ-ZDUSSCGKSA-N 1 0 341.046 4.260 10 0 EIAERO COc1ccc(CC[NH2+][C@@H](C)c2ccccc2Br)cc1 ZINC000019907398 212082128 /nfs/dbraw/zinc/08/21/28/212082128.db2.gz NOVUFTJMOBRZTR-ZDUSSCGKSA-N 1 0 334.257 4.351 10 0 EIAERO CC[C@@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042957311 213546353 /nfs/dbraw/zinc/54/63/53/213546353.db2.gz CNBWJXXHAGOWSO-KCXAZCMYSA-N 1 0 326.278 4.434 10 0 EIAERO C[C@@H]([NH3+])[C@@H](OCc1cccs1)c1ccccc1Br ZINC000043095597 213559466 /nfs/dbraw/zinc/55/94/66/213559466.db2.gz TYQMGPLIZQTDMG-QMTHXVAHSA-N 1 0 326.259 4.116 10 0 EIAERO CSc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000012458964 211388243 /nfs/dbraw/zinc/38/82/43/211388243.db2.gz TVJJAACZCCLVIZ-KRWDZBQOSA-N 1 0 346.540 4.326 10 0 EIAERO CCN(CC)c1ncccc1C[NH2+]Cc1cc2ccccc2s1 ZINC000011933621 211269897 /nfs/dbraw/zinc/26/98/97/211269897.db2.gz DDTAFVCDNOJBHR-UHFFFAOYSA-N 1 0 325.481 4.432 10 0 EIAERO C[C@H](C[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591147 563963245 /nfs/dbraw/zinc/96/32/45/563963245.db2.gz YERZZRPSSPYLCE-QRQLOZEOSA-N 1 0 346.515 4.463 10 0 EIAERO CC(C)n1cncc1-c1cccc(OCC[NH+]2CCC(C)CC2)c1 ZINC000725245421 563975941 /nfs/dbraw/zinc/97/59/41/563975941.db2.gz GJICMGJJKRSIEE-UHFFFAOYSA-N 1 0 327.472 4.242 10 0 EIAERO CC[NH2+]CC[C@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000725271897 563988243 /nfs/dbraw/zinc/98/82/43/563988243.db2.gz KHEROWWCUOLHND-AWEZNQCLSA-N 1 0 346.393 4.271 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1Cl ZINC000675052403 564052426 /nfs/dbraw/zinc/05/24/26/564052426.db2.gz AAMUWOVBMAXCPT-RISCZKNCSA-N 1 0 345.270 4.393 10 0 EIAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2ccc(Cl)cc2Cl)C1 ZINC000675055704 564111888 /nfs/dbraw/zinc/11/18/88/564111888.db2.gz WUHYLLHABIQYBM-FZMZJTMJSA-N 1 0 345.270 4.311 10 0 EIAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000675055796 564111944 /nfs/dbraw/zinc/11/19/44/564111944.db2.gz YGQQSCJLHYIUEY-SMDDNHRTSA-N 1 0 345.270 4.311 10 0 EIAERO C[C@@H](C(=O)c1ccccc1)[n+]1cn(Cc2ccccc2)c2ccccc21 ZINC000048523611 564129287 /nfs/dbraw/zinc/12/92/87/564129287.db2.gz LILTZCAPOGYAPR-SFHVURJKSA-N 1 0 341.434 4.421 10 0 EIAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000101417716 564129496 /nfs/dbraw/zinc/12/94/96/564129496.db2.gz FWBIWXGKOUKNHP-HPFXQQBRSA-N 1 0 332.488 4.199 10 0 EIAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1nc2c(s1)CCCC2 ZINC000091735755 1039388655 /nfs/dbraw/zinc/38/86/55/1039388655.db2.gz MGMWPMVGHAPFMC-ZDUSSCGKSA-N 1 0 347.553 4.403 10 0 EIAERO Clc1ccc(-c2ccc(C[NH+]3CCC(n4cncn4)CC3)o2)cc1 ZINC000092648226 1039572330 /nfs/dbraw/zinc/57/23/30/1039572330.db2.gz PUCQBVNRPDGAQG-UHFFFAOYSA-N 1 0 342.830 4.029 10 0 EIAERO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788707 1039592397 /nfs/dbraw/zinc/59/23/97/1039592397.db2.gz MQJNAICYJCDBBQ-MRXNPFEDSA-N 1 0 338.480 4.221 10 0 EIAERO CC[NH2+]C[C@@H](OC1CCCCC1)c1ccc(Br)cc1 ZINC000050487003 214058256 /nfs/dbraw/zinc/05/82/56/214058256.db2.gz LEDWUYQUJBVEJD-MRXNPFEDSA-N 1 0 326.278 4.449 10 0 EIAERO CC[NH2+]Cc1c(Cl)cccc1-n1nc(C)c(Br)c1C ZINC000050593798 214060832 /nfs/dbraw/zinc/06/08/32/214060832.db2.gz SMXOHRBAEDYSDC-UHFFFAOYSA-N 1 0 342.668 4.015 10 0 EIAERO CC(C)C[NH2+]CCC[C@H](C)Oc1ccc(Br)cc1F ZINC000052695899 214140565 /nfs/dbraw/zinc/14/05/65/214140565.db2.gz CZZUPUDXFYPBEJ-LBPRGKRZSA-N 1 0 332.257 4.381 10 0 EIAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(I)cc2)o1 ZINC000052924352 214155191 /nfs/dbraw/zinc/15/51/91/214155191.db2.gz CGHYQCFHQITQMH-SNVBAGLBSA-N 1 0 341.192 4.222 10 0 EIAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1cc(F)ccc1Br ZINC000052944979 214156090 /nfs/dbraw/zinc/15/60/90/214156090.db2.gz LNCVCVCYHVXSGJ-CQSZACIVSA-N 1 0 328.612 4.484 10 0 EIAERO [NH3+]C[C@@H](Cc1sccc1Br)Cc1ccc(F)cc1 ZINC000052947552 214156266 /nfs/dbraw/zinc/15/62/66/214156266.db2.gz JJJGBSSVZWZJAP-LLVKDONJSA-N 1 0 328.250 4.010 10 0 EIAERO CC[NH2+]Cc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000053294381 214175639 /nfs/dbraw/zinc/17/56/39/214175639.db2.gz PNGDSWIUZMLNTL-UHFFFAOYSA-N 1 0 337.242 4.428 10 0 EIAERO CC[NH2+][C@@H](Cc1sccc1Br)c1cccc(OC)c1 ZINC000053788785 214199256 /nfs/dbraw/zinc/19/92/56/214199256.db2.gz JXKPPKCVKXUNQI-AWEZNQCLSA-N 1 0 340.286 4.413 10 0 EIAERO N[C@H](CC[NH+]1CCCCCCC1)c1cccc(Br)c1 ZINC000053938553 214206831 /nfs/dbraw/zinc/20/68/31/214206831.db2.gz FNTCFVXPXZQQLM-MRXNPFEDSA-N 1 0 325.294 4.105 10 0 EIAERO CC[NH2+][C@H](Cc1nc(C)cs1)Cc1sccc1Br ZINC000055269073 214297909 /nfs/dbraw/zinc/29/79/09/214297909.db2.gz OIRATUNZPQVUPM-JTQLQIEISA-N 1 0 345.331 4.039 10 0 EIAERO CC[NH2+][C@@H](Cc1csc(C)n1)Cc1sccc1Br ZINC000055295822 214302568 /nfs/dbraw/zinc/30/25/68/214302568.db2.gz RWHQNWOLBTUYHU-JTQLQIEISA-N 1 0 345.331 4.039 10 0 EIAERO CC[C@@H]([NH3+])[C@@H](Sc1cccc(Br)c1)c1ccccn1 ZINC000055307582 214303921 /nfs/dbraw/zinc/30/39/21/214303921.db2.gz ZSPCQKOFZRMCBV-UKRRQHHQSA-N 1 0 337.286 4.415 10 0 EIAERO [NH3+]Cc1ccc(CSc2cccc(Br)c2)c(F)c1 ZINC000055308326 214304942 /nfs/dbraw/zinc/30/49/42/214304942.db2.gz QBQGOZNUMKYDGO-UHFFFAOYSA-N 1 0 326.234 4.339 10 0 EIAERO CCCCCC[NH+]1CCC(C(=O)N(C)CC)(c2ccccc2)CC1 ZINC000003797855 210075253 /nfs/dbraw/zinc/07/52/53/210075253.db2.gz TYWUGCGYWNSRPS-UHFFFAOYSA-N 1 0 330.516 4.079 10 0 in-man EIAERO [NH3+]CCSc1nnc(SCc2cccc3ccccc32)s1 ZINC000003318502 210005925 /nfs/dbraw/zinc/00/59/25/210005925.db2.gz NUPRHAOBKKKXTC-UHFFFAOYSA-N 1 0 333.507 4.034 10 0 EIAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000042957373 213546051 /nfs/dbraw/zinc/54/60/51/213546051.db2.gz RFBJMGIXFQNNBK-UAXWRAGISA-N 1 0 326.278 4.433 10 0 EIAERO Fc1cc(Br)ccc1OCC[NH2+]C1CCCCCC1 ZINC000104001339 219337236 /nfs/dbraw/zinc/33/72/36/219337236.db2.gz OZETVBBTLQRJOR-UHFFFAOYSA-N 1 0 330.241 4.279 10 0 EIAERO CCC[NH2+]C[C@@H](Cc1cc(Br)ccc1OC)C(C)C ZINC000104012267 219339376 /nfs/dbraw/zinc/33/93/76/219339376.db2.gz UDTCAGDGEHXQRB-CQSZACIVSA-N 1 0 328.294 4.272 10 0 EIAERO CC[C@H](C)Sc1cc(Br)ccc1C[NH2+]CCOC ZINC000104284934 219369660 /nfs/dbraw/zinc/36/96/60/219369660.db2.gz ZRFPASHHJMHHLF-NSHDSACASA-N 1 0 332.307 4.076 10 0 EIAERO [NH3+]CCc1ccc(Oc2ccc(Br)cc2F)c(F)c1 ZINC000104289084 219370876 /nfs/dbraw/zinc/37/08/76/219370876.db2.gz BGQVUKHIFOFQHB-UHFFFAOYSA-N 1 0 328.156 4.021 10 0 EIAERO C[C@H]([NH3+])c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000040435158 213304169 /nfs/dbraw/zinc/30/41/69/213304169.db2.gz OXUQPVQALZBYSG-AWEZNQCLSA-N 1 0 341.418 4.455 10 0 EIAERO Cc1ccc(OCc2nc3ccccc3n2CCC[NH+](C)C)c(C)c1 ZINC000040389614 213297097 /nfs/dbraw/zinc/29/70/97/213297097.db2.gz PVTUPXUFWCQITJ-UHFFFAOYSA-N 1 0 337.467 4.184 10 0 EIAERO Clc1cc2c(s1)C[NH2+]C[C@@H]2c1ccc(Br)cc1 ZINC000038157531 213203754 /nfs/dbraw/zinc/20/37/54/213203754.db2.gz QQKIRMSLWKTONS-LLVKDONJSA-N 1 0 328.662 4.399 10 0 EIAERO C[C@H](CN[C@H](C)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000038041773 213197128 /nfs/dbraw/zinc/19/71/28/213197128.db2.gz KMAMJKCVQAJHHV-HUUCEWRRSA-N 1 0 339.321 4.222 10 0 EIAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038003294 213187607 /nfs/dbraw/zinc/18/76/07/213187607.db2.gz BKGFWUXOOBFZGX-VXGBXAGGSA-N 1 0 333.339 4.138 10 0 EIAERO CC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037560395 213156246 /nfs/dbraw/zinc/15/62/46/213156246.db2.gz DQCGXOWIABSOHA-UHFFFAOYSA-N 1 0 336.479 4.321 10 0 EIAERO CCOc1cc(Br)c([C@@H]([NH3+])[C@H](C)CC)cc1OCC ZINC000037332793 213140149 /nfs/dbraw/zinc/14/01/49/213140149.db2.gz JTPIYLLFIIYDNG-BMIGLBTASA-N 1 0 330.266 4.292 10 0 EIAERO COc1ccc(C)cc1[C@H]([NH3+])c1cc(Br)ccc1Cl ZINC000036822893 213121647 /nfs/dbraw/zinc/12/16/47/213121647.db2.gz OZNONUNJQBDEQJ-OAHLLOKOSA-N 1 0 340.648 4.468 10 0 EIAERO CC(C)[NH2+]Cc1ccc(-c2c(F)cc(F)cc2Br)o1 ZINC000036819273 213121284 /nfs/dbraw/zinc/12/12/84/213121284.db2.gz SRBFWHSILCTUDP-UHFFFAOYSA-N 1 0 330.172 4.485 10 0 EIAERO COc1ccc([C@H]([NH3+])c2cc(F)cc(Br)c2)c(Cl)c1 ZINC000036767788 213116865 /nfs/dbraw/zinc/11/68/65/213116865.db2.gz RNETWRRTUDTJOA-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO C[NH2+]Cc1ccc(Br)cc1N(C)C1CCCCCC1 ZINC000036328859 213084819 /nfs/dbraw/zinc/08/48/19/213084819.db2.gz ZBVPCZHPSSFRTL-UHFFFAOYSA-N 1 0 325.294 4.328 10 0 EIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000035805140 213049611 /nfs/dbraw/zinc/04/96/11/213049611.db2.gz LAXWIRDYMCJDCA-HNNXBMFYSA-N 1 0 332.875 4.482 10 0 EIAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)c(Br)c1 ZINC000035508649 213033842 /nfs/dbraw/zinc/03/38/42/213033842.db2.gz JHGZWFOOGJPXHL-JTQLQIEISA-N 1 0 326.156 4.061 10 0 EIAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccc(OC)cc1C ZINC000035468336 213031628 /nfs/dbraw/zinc/03/16/28/213031628.db2.gz IZHNWUFVWHYDJW-AWEZNQCLSA-N 1 0 326.259 4.136 10 0 EIAERO C[NH2+][C@H](CC(F)(F)F)c1cc(Cl)cc(Br)c1OC ZINC000035458565 213030369 /nfs/dbraw/zinc/03/03/69/213030369.db2.gz QJNCBFKUMDPZPC-SECBINFHSA-N 1 0 346.574 4.324 10 0 EIAERO COc1ccc(-c2ccc([C@@H](O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000033755235 212963470 /nfs/dbraw/zinc/96/34/70/212963470.db2.gz NHPCBTVKHULSEJ-NRFANRHFSA-N 1 0 325.452 4.272 10 0 EIAERO C[NH2+]CC[C@H](Oc1cccc2c(O)c(OC)ccc12)c1cccs1 ZINC000022060783 212274471 /nfs/dbraw/zinc/27/44/71/212274471.db2.gz MHWRJCBZOCBFBD-INIZCTEOSA-N 1 0 343.448 4.345 10 0 in-vitro EIAERO Cc1cc2[nH]c(C(=O)Nc3ccc(F)c(F)c3)c(C[NH+](C)C)c2s1 ZINC000075487879 216623900 /nfs/dbraw/zinc/62/39/00/216623900.db2.gz MIZDYSVNNNGKRL-UHFFFAOYSA-N 1 0 349.406 4.130 10 0 EIAERO CCn1cc(C[NH2+]CCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000020935056 212190511 /nfs/dbraw/zinc/19/05/11/212190511.db2.gz OKSUFERMVXITPL-UHFFFAOYSA-N 1 0 338.451 4.011 10 0 EIAERO COc1c(Cl)cc(C[NH2+]CCc2ccc(F)cc2)cc1Cl ZINC000020928447 212188887 /nfs/dbraw/zinc/18/88/87/212188887.db2.gz MHQKKCRWKWQYOK-UHFFFAOYSA-N 1 0 328.214 4.473 10 0 EIAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000020875108 212181015 /nfs/dbraw/zinc/18/10/15/212181015.db2.gz FXDGAIDIQPYPGW-IBGZPJMESA-N 1 0 345.870 4.496 10 0 EIAERO Cc1ccc(COc2cccc(C[NH2+]C[C@@H](O)c3ccccc3)c2)cc1 ZINC000020874500 212180413 /nfs/dbraw/zinc/18/04/13/212180413.db2.gz INLDKVUWDRNDTI-HSZRJFAPSA-N 1 0 347.458 4.397 10 0 EIAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccc(F)cc1Cl ZINC000020586727 212150446 /nfs/dbraw/zinc/15/04/46/212150446.db2.gz XCRDCQBUMZPHJP-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO [NH3+][C@H](Cc1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC000019971736 212092613 /nfs/dbraw/zinc/09/26/13/212092613.db2.gz XCJSRIWRLYDSSF-CYBMUJFWSA-N 1 0 330.147 4.109 10 0 EIAERO [NH3+][C@H](CC(F)(F)F)c1cc(Br)ccc1Br ZINC000019969158 212091345 /nfs/dbraw/zinc/09/13/45/212091345.db2.gz RJHDOYMLIVKKAH-MRVPVSSYSA-N 1 0 346.972 4.164 10 0 EIAERO COc1ccc(CC[NH2+][C@@H](C)c2cccc(Br)c2)cc1 ZINC000019907350 212082143 /nfs/dbraw/zinc/08/21/43/212082143.db2.gz ZAJWMEXTURMTII-ZDUSSCGKSA-N 1 0 334.257 4.351 10 0 EIAERO CC(C)[NH+](CCN[C@H](C)c1ccccc1Br)C(C)C ZINC000019901052 212080894 /nfs/dbraw/zinc/08/08/94/212080894.db2.gz YQHIPATXTGWGIV-CQSZACIVSA-N 1 0 327.310 4.219 10 0 EIAERO C[NH2+]Cc1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000019777233 212065572 /nfs/dbraw/zinc/06/55/72/212065572.db2.gz GAFWSZAXPZVCIE-UHFFFAOYSA-N 1 0 340.648 4.401 10 0 EIAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)Cc1cccs1 ZINC000043091557 213557985 /nfs/dbraw/zinc/55/79/85/213557985.db2.gz GZKWENKYZITHMZ-XHDPSFHLSA-N 1 0 339.302 4.031 10 0 EIAERO [NH3+]C[C@H](Oc1cccc(Cl)c1)c1ccccc1Br ZINC000043094392 213559612 /nfs/dbraw/zinc/55/96/12/213559612.db2.gz AZDORUPVXYZIDB-AWEZNQCLSA-N 1 0 326.621 4.181 10 0 EIAERO CC[C@H]([NH3+])[C@H](Sc1ccccn1)c1ccccc1Br ZINC000043095880 213560746 /nfs/dbraw/zinc/56/07/46/213560746.db2.gz KVYUIGLUEQUYPB-DZGCQCFKSA-N 1 0 337.286 4.415 10 0 EIAERO C[NH2+][C@H](Cc1cc(Br)ccc1OC)c1ccsc1 ZINC000049599349 214021693 /nfs/dbraw/zinc/02/16/93/214021693.db2.gz VBYKNZBXDXMEJC-CYBMUJFWSA-N 1 0 326.259 4.022 10 0 EIAERO [NH3+]Cc1ccccc1COc1ccc(Cl)cc1Br ZINC000011945272 211274223 /nfs/dbraw/zinc/27/42/23/211274223.db2.gz LPNZLKARJHYBOM-UHFFFAOYSA-N 1 0 326.621 4.140 10 0 EIAERO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010474677 211175008 /nfs/dbraw/zinc/17/50/08/211175008.db2.gz NZNOBMQLUIUDME-UHFFFAOYSA-N 1 0 333.859 4.435 10 0 EIAERO CCOc1c(C[NH2+]C2CCCCC2)cc(Br)cc1OC ZINC000010436511 211173221 /nfs/dbraw/zinc/17/32/21/211173221.db2.gz FOANLVSSLDJKNK-UHFFFAOYSA-N 1 0 342.277 4.279 10 0 EIAERO Cc1ccccc1Cn1c2ccccc2nc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000095090272 218279809 /nfs/dbraw/zinc/27/98/09/218279809.db2.gz DMPGIZHRQPDNNA-ROUUACIJSA-N 1 0 334.467 4.075 10 0 EIAERO C[C@@H](CN1c2ccccc2OCOc2ccc(Cl)cc21)C[NH+](C)C ZINC000005141525 210398350 /nfs/dbraw/zinc/39/83/50/210398350.db2.gz SQODSURYUNVIBL-CQSZACIVSA-N 1 0 346.858 4.405 10 0 in-man EIAERO Clc1sc([C@@H]2[NH2+]CCc3ccsc32)cc1Br ZINC000712562711 563474043 /nfs/dbraw/zinc/47/40/43/563474043.db2.gz LWQFELMZCJHQCC-VIFPVBQESA-N 1 0 334.691 4.461 10 0 EIAERO OCCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000013727324 563719186 /nfs/dbraw/zinc/71/91/86/563719186.db2.gz SIZLTFAQFJIANL-UHFFFAOYSA-N 1 0 333.859 4.171 10 0 EIAERO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1ccccc1Cn1cccn1 ZINC000063844850 563956055 /nfs/dbraw/zinc/95/60/55/563956055.db2.gz BKZMCKPODQNGQS-SFHVURJKSA-N 1 0 334.467 4.127 10 0 EIAERO C[C@@H](C[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591133 563963247 /nfs/dbraw/zinc/96/32/47/563963247.db2.gz YERZZRPSSPYLCE-WDSOQIARSA-N 1 0 346.515 4.463 10 0 EIAERO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000190426626 564060961 /nfs/dbraw/zinc/06/09/61/564060961.db2.gz QAUAWSXUOMOWPJ-WMZOPIPTSA-N 1 0 341.480 4.128 10 0 EIAERO COCCCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000116879697 1030907820 /nfs/dbraw/zinc/90/78/20/1030907820.db2.gz FTCZJOATJWSJGN-GOSISDBHSA-N 1 0 327.472 4.073 10 0 EIAERO Cc1nc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cs1 ZINC000120823379 1031433388 /nfs/dbraw/zinc/43/33/88/1031433388.db2.gz GBESVJNQZYLJCQ-MRXNPFEDSA-N 1 0 338.480 4.221 10 0 EIAERO Cc1csc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000127695356 1031703057 /nfs/dbraw/zinc/70/30/57/1031703057.db2.gz QOCYWERFGPLTNG-MRXNPFEDSA-N 1 0 338.480 4.221 10 0 EIAERO Cc1ccc(-c2cccc(C[NH+]3CCC(n4cncn4)CC3)c2)cc1 ZINC000092647996 1039573552 /nfs/dbraw/zinc/57/35/52/1039573552.db2.gz JUWJUDQUKDDVQR-UHFFFAOYSA-N 1 0 332.451 4.091 10 0 EIAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788777 1039593318 /nfs/dbraw/zinc/59/33/18/1039593318.db2.gz TXTSKELHVCNFKW-LBPRGKRZSA-N 1 0 338.908 4.033 10 0 EIAERO C[C@@H]([NH3+])[C@@H](OCC1CCCCC1)c1cc(Br)cs1 ZINC000052147417 214118734 /nfs/dbraw/zinc/11/87/34/214118734.db2.gz CHPGARXHALFDSA-QMTHXVAHSA-N 1 0 332.307 4.496 10 0 EIAERO CC(C)(C)[NH2+]C[C@@H](OC1CCC1)c1cccc(Br)c1 ZINC000052148313 214120155 /nfs/dbraw/zinc/12/01/55/214120155.db2.gz GMRSRWMGHSSCQP-OAHLLOKOSA-N 1 0 326.278 4.447 10 0 EIAERO CC[C@@H](C[NH2+]C(C)(C)C)N(C)Cc1csc(Br)c1 ZINC000052547541 214132355 /nfs/dbraw/zinc/13/23/55/214132355.db2.gz GGUPADKHTKDZON-LBPRGKRZSA-N 1 0 333.339 4.109 10 0 EIAERO C[C@H]1CCC[C@H]([NH2+]CCN(C)Cc2cc(Br)cs2)C1 ZINC000053429438 214183350 /nfs/dbraw/zinc/18/33/50/214183350.db2.gz QDXKGSOAXVAJKS-JSGCOSHPSA-N 1 0 345.350 4.111 10 0 EIAERO CN(CC[NH2+]C1CCCCCC1)Cc1cc(Br)cs1 ZINC000053342428 214177300 /nfs/dbraw/zinc/17/73/00/214177300.db2.gz GLYLARLBZQUBDG-UHFFFAOYSA-N 1 0 345.350 4.255 10 0 EIAERO CCc1ccc(C[C@H](Cc2ccc(Br)cc2)[NH2+]C)s1 ZINC000053821344 214200322 /nfs/dbraw/zinc/20/03/22/214200322.db2.gz UKHPIQPXANYHAL-AWEZNQCLSA-N 1 0 338.314 4.446 10 0 EIAERO CCC(CC)[N@H+](C)CC[C@H](NC)c1ccc(Br)cc1 ZINC000053939922 214206133 /nfs/dbraw/zinc/20/61/33/214206133.db2.gz BUISESUCDMGEJS-INIZCTEOSA-N 1 0 327.310 4.220 10 0 EIAERO CN[C@@H](CC[N@H+](C)CCC(C)C)c1ccc(Br)cc1 ZINC000053971921 214208100 /nfs/dbraw/zinc/20/81/00/214208100.db2.gz RKHXQODGFPYMOR-INIZCTEOSA-N 1 0 327.310 4.078 10 0 EIAERO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000020930353 212189190 /nfs/dbraw/zinc/18/91/90/212189190.db2.gz DYSGZPQVKZKBKY-UHFFFAOYSA-N 1 0 342.270 4.159 10 0 EIAERO CCC[C@](C)(C[NH2+]CCOC)Cc1ccc(Br)s1 ZINC000054657438 214248217 /nfs/dbraw/zinc/24/82/17/214248217.db2.gz HUGOFRMWGHKROZ-AWEZNQCLSA-N 1 0 334.323 4.096 10 0 EIAERO COc1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1Br ZINC000055226871 214292385 /nfs/dbraw/zinc/29/23/85/214292385.db2.gz HQHATYKXTDKFGI-AWEZNQCLSA-N 1 0 326.621 4.159 10 0 EIAERO Cc1c([C@H](C)[NH2+]Cc2ccc3nsnc3c2)cnn1-c1ccccc1 ZINC000055271304 214298586 /nfs/dbraw/zinc/29/85/86/214298586.db2.gz BXJGFDFWOZGRRU-ZDUSSCGKSA-N 1 0 349.463 4.036 10 0 EIAERO CC[C@H](C)[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000055369446 214313320 /nfs/dbraw/zinc/31/33/20/214313320.db2.gz UKXGTDBVQCHDTC-HNNXBMFYSA-N 1 0 328.504 4.451 10 0 EIAERO C[C@@H](c1cccs1)N(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000049726610 214030226 /nfs/dbraw/zinc/03/02/26/214030226.db2.gz XTNSJKYLWRDFKC-ONGXEEELSA-N 1 0 345.331 4.265 10 0 EIAERO COc1ccc([C@H](C[NH3+])Sc2ccc(Br)cc2)cc1 ZINC000042964953 213547561 /nfs/dbraw/zinc/54/75/61/213547561.db2.gz POGQJILBRJWNNY-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO CC[C@@H]([NH3+])[C@H](Sc1ccccn1)c1cccc(Br)c1 ZINC000043024440 213554088 /nfs/dbraw/zinc/55/40/88/213554088.db2.gz KMENUMDMJDMDCU-UKRRQHHQSA-N 1 0 337.286 4.415 10 0 EIAERO [NH3+]C[C@H](Sc1ccc(F)cc1)c1cccc(Br)c1 ZINC000043024338 213553810 /nfs/dbraw/zinc/55/38/10/213553810.db2.gz IKSVDRRXDRGVAZ-AWEZNQCLSA-N 1 0 326.234 4.380 10 0 EIAERO CCC[NH2+][C@H](CCc1cc(Br)ccc1OC)C(C)C ZINC000103938867 219330437 /nfs/dbraw/zinc/33/04/37/219330437.db2.gz YKLPGYNQAWRZAE-OAHLLOKOSA-N 1 0 328.294 4.415 10 0 EIAERO CCCC[N@H+]([C@H](C)CC)[C@@H](CN)c1ccc(Br)cc1 ZINC000103933462 219330482 /nfs/dbraw/zinc/33/04/82/219330482.db2.gz YHHLAEHTMQFEGR-CJNGLKHVSA-N 1 0 327.310 4.350 10 0 EIAERO Cc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2C)c(Br)c1 ZINC000104013048 219338957 /nfs/dbraw/zinc/33/89/57/219338957.db2.gz RNCABOYFMRFFKD-HIFRSBDPSA-N 1 0 326.278 4.305 10 0 EIAERO C[C@@H]1[C@@H](C)[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000068593225 215322249 /nfs/dbraw/zinc/32/22/49/215322249.db2.gz QBFXTPLFVTYROG-LISAXSMJSA-N 1 0 332.488 4.056 10 0 EIAERO C[C@@H]1C(NC(=O)OC(C)(C)C)[C@@H](C)[C@@H](C)[NH+](Cc2ccccc2)[C@@H]1C ZINC000068592750 215320657 /nfs/dbraw/zinc/32/06/57/215320657.db2.gz YASBDTKCNDHYRQ-MWDXBVQZSA-N 1 0 346.515 4.445 10 0 EIAERO C[C@@H]1[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000068593231 215321236 /nfs/dbraw/zinc/32/12/36/215321236.db2.gz QBFXTPLFVTYROG-BVIKNXMNSA-N 1 0 332.488 4.056 10 0 EIAERO CC[NH2+][C@@H]1CC(C)(C)CCc2c(Br)cc(OC)cc21 ZINC000104183895 219357157 /nfs/dbraw/zinc/35/71/57/219357157.db2.gz SGIRSQDHBZQLFY-OAHLLOKOSA-N 1 0 326.278 4.471 10 0 EIAERO CCCN[C@H](c1nccn1CCC)c1sccc1Br ZINC000104300306 219371347 /nfs/dbraw/zinc/37/13/47/219371347.db2.gz OAXPXNAGLLRXOG-LBPRGKRZSA-N 1 0 342.306 4.206 10 0 EIAERO CC[C@@H]1CCCC[C@H]1Oc1ccc(Br)cc1CC[NH3+] ZINC000104381659 219382313 /nfs/dbraw/zinc/38/23/13/219382313.db2.gz APJZZDWWQXWKOQ-IUODEOHRSA-N 1 0 326.278 4.298 10 0 EIAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(Br)cc1 ZINC000038009310 213188682 /nfs/dbraw/zinc/18/86/82/213188682.db2.gz ZGNSYDGIACKUSG-BLLLJJGKSA-N 1 0 332.241 4.103 10 0 EIAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000037982282 213182545 /nfs/dbraw/zinc/18/25/45/213182545.db2.gz LPZFBVFSMBLYNC-UGSOOPFHSA-N 1 0 348.284 4.396 10 0 EIAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(Br)cc1Cl)C2 ZINC000037392113 213143676 /nfs/dbraw/zinc/14/36/76/213143676.db2.gz GXKTZHHKOPLDCG-YOGCLGLASA-N 1 0 329.669 4.140 10 0 EIAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC)cc1Br ZINC000037445163 213148275 /nfs/dbraw/zinc/14/82/75/213148275.db2.gz YATONUOODPOAQA-CYBMUJFWSA-N 1 0 326.259 4.136 10 0 EIAERO [NH3+][C@H](c1cc(F)ccc1F)c1cc(Br)ccc1Cl ZINC000037287792 213138655 /nfs/dbraw/zinc/13/86/55/213138655.db2.gz KATOCHAKPPIXQH-ZDUSSCGKSA-N 1 0 332.575 4.429 10 0 EIAERO Cc1cc(-n2c(N)[nH+]c3cccc(Cl)c32)ccc1Br ZINC000036899633 213125654 /nfs/dbraw/zinc/12/56/54/213125654.db2.gz PQNHYRMDIBXRFC-UHFFFAOYSA-N 1 0 336.620 4.332 10 0 EIAERO CCCCOc1c(Br)cc(C[NH2+]C(C)C)cc1OC ZINC000036815063 213119898 /nfs/dbraw/zinc/11/98/98/213119898.db2.gz KOCOCNBWSRXMRB-UHFFFAOYSA-N 1 0 330.266 4.135 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccccc2Br)c(Cl)c1 ZINC000036767651 213117060 /nfs/dbraw/zinc/11/70/60/213117060.db2.gz UYNRBXUZWYDHDM-AWEZNQCLSA-N 1 0 326.621 4.159 10 0 EIAERO C[N@H+]([C@@H](CN)c1ccc(Br)s1)C1CCCCCC1 ZINC000036328268 213084290 /nfs/dbraw/zinc/08/42/90/213084290.db2.gz UKGCRYVHHWNNQX-LBPRGKRZSA-N 1 0 331.323 4.165 10 0 EIAERO Cc1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccccc3)n2)cc1 ZINC000070451686 215691311 /nfs/dbraw/zinc/69/13/11/215691311.db2.gz YSQWNUCOCHSGRT-UHFFFAOYSA-N 1 0 344.462 4.283 10 0 EIAERO C[NH2+][C@@H](c1cc(F)cc(Br)c1)c1ccc(F)cc1F ZINC000035491581 213032615 /nfs/dbraw/zinc/03/26/15/213032615.db2.gz TUAMMPWKDPHGTK-AWEZNQCLSA-N 1 0 330.147 4.175 10 0 EIAERO Cc1csc2n1c(C(=O)c1ccc(C)cc1)c(C)[n+]2-c1ccccc1 ZINC000000245799 209502387 /nfs/dbraw/zinc/50/23/87/209502387.db2.gz JZHZRVMSBPDZTM-UHFFFAOYSA-N 1 0 347.463 4.434 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2Cl)cc1C ZINC000037365958 213141580 /nfs/dbraw/zinc/14/15/80/213141580.db2.gz UJBNOUMAYFYYRQ-HNNXBMFYSA-N 1 0 340.648 4.468 10 0 EIAERO CSc1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1ccccc1O2 ZINC000022041707 212272385 /nfs/dbraw/zinc/27/23/85/212272385.db2.gz RGHAMXHLLRFJMA-GOSISDBHSA-N 1 0 340.492 4.045 10 0 EIAERO CCCCCC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933744 212189949 /nfs/dbraw/zinc/18/99/49/212189949.db2.gz FOSKAQGNGAJDIH-UHFFFAOYSA-N 1 0 330.266 4.136 10 0 EIAERO CCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020873950 212180693 /nfs/dbraw/zinc/18/06/93/212180693.db2.gz CJDVTDMJAPSMAN-UHFFFAOYSA-N 1 0 343.467 4.099 10 0 EIAERO COc1ccc(Br)cc1[C@@H]([NH3+])Cc1ccccc1Cl ZINC000020586662 212150101 /nfs/dbraw/zinc/15/01/01/212150101.db2.gz YKLWWIBAAFRWGN-AWEZNQCLSA-N 1 0 340.648 4.354 10 0 EIAERO COc1ccc([C@H]([NH3+])Cc2ccccc2Cl)cc1Br ZINC000020522059 212143506 /nfs/dbraw/zinc/14/35/06/212143506.db2.gz NQMASTJSKUITFK-CQSZACIVSA-N 1 0 340.648 4.354 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2cc(Br)ccc2F)cc1Cl ZINC000020521782 212143630 /nfs/dbraw/zinc/14/36/30/212143630.db2.gz MJSSZCQFJYVQPM-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO CN1C[C@@H](c2ccccc2)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000255975941 244054028 /nfs/dbraw/zinc/05/40/28/244054028.db2.gz HDDWJXJLZCWVBF-DLBZAZTESA-N 1 0 333.353 4.087 10 0 EIAERO COc1cc(Br)c([C@@H]([NH3+])C2CCCCC2)cc1OC ZINC000020426308 212128257 /nfs/dbraw/zinc/12/82/57/212128257.db2.gz BCSSJFOBZIGNFH-HNNXBMFYSA-N 1 0 328.250 4.046 10 0 EIAERO Cc1ccccc1-n1cc(C[NH3+])c(-c2ccc(Br)cc2)n1 ZINC000020390785 212124204 /nfs/dbraw/zinc/12/42/04/212124204.db2.gz XFKUGHLDOILGQD-UHFFFAOYSA-N 1 0 342.240 4.069 10 0 EIAERO Cc1cc(Br)cc(C)c1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000020033041 212095359 /nfs/dbraw/zinc/09/53/59/212095359.db2.gz JRFDJEMJMHOBIJ-OAHLLOKOSA-N 1 0 347.256 4.095 10 0 EIAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019515983 212036761 /nfs/dbraw/zinc/03/67/61/212036761.db2.gz YWOPIRCKCDWSMJ-LBPRGKRZSA-N 1 0 325.275 4.037 10 0 EIAERO COc1ccc(Cl)cc1[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019470705 212030900 /nfs/dbraw/zinc/03/09/00/212030900.db2.gz DJLARXKOXXFWJQ-AWEZNQCLSA-N 1 0 326.621 4.159 10 0 EIAERO Cc1csc(S[C@H](c2ccccc2Br)[C@@H](C)[NH3+])n1 ZINC000043096000 213560163 /nfs/dbraw/zinc/56/01/63/213560163.db2.gz BMVRSGZPEOPOBH-SKDRFNHKSA-N 1 0 343.315 4.395 10 0 EIAERO C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)c1ccsc1 ZINC000049599351 214021925 /nfs/dbraw/zinc/02/19/25/214021925.db2.gz UTYQRCGUNKFDGL-CYBMUJFWSA-N 1 0 326.259 4.022 10 0 EIAERO CCC[N@H+](CCc1cccs1)C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471417 211562335 /nfs/dbraw/zinc/56/23/35/211562335.db2.gz ZWNDDIIOXZXGCK-UHFFFAOYSA-N 1 0 345.508 4.187 10 0 EIAERO Cc1ccc(Cn2c3ccccc3nc2N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000095090027 218279063 /nfs/dbraw/zinc/27/90/63/218279063.db2.gz OVWOQIGXANQAJK-ROUUACIJSA-N 1 0 334.467 4.075 10 0 EIAERO CCC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1)CC(C)C ZINC000004955132 210338999 /nfs/dbraw/zinc/33/89/99/210338999.db2.gz AMYXFPHABMZQPE-NRFANRHFSA-N 1 0 328.500 4.155 10 0 EIAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238856127 258001128 /nfs/dbraw/zinc/00/11/28/258001128.db2.gz UWLUEWFMYQFHBU-YFHUEUNASA-N 1 0 332.488 4.056 10 0 EIAERO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000238853138 258001224 /nfs/dbraw/zinc/00/12/24/258001224.db2.gz ILMMOMVUQUFKMT-CNMWIUBYSA-N 1 0 346.515 4.445 10 0 EIAERO Fc1ccc(-c2nn(Cc3ccc(Cl)cc3)c3c2C[NH2+]CC3)cc1 ZINC000167716474 534456848 /nfs/dbraw/zinc/45/68/48/534456848.db2.gz UVBFBZQBXDKNPI-UHFFFAOYSA-N 1 0 341.817 4.037 10 0 EIAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000013719856 563716025 /nfs/dbraw/zinc/71/60/25/563716025.db2.gz YNYKKSQKSDJIFT-UHFFFAOYSA-N 1 0 329.868 4.044 10 0 EIAERO CCOc1cccc(C[NH2+]CCOC)c1OCc1ccc(Cl)cc1 ZINC000013730231 564020680 /nfs/dbraw/zinc/02/06/80/564020680.db2.gz UBELGZLMHPMXMM-UHFFFAOYSA-N 1 0 349.858 4.054 10 0 EIAERO Fc1cccc(F)c1-c1csc(C[n+]2ccc3c(c2)CCCC3)n1 ZINC000122059343 1030613648 /nfs/dbraw/zinc/61/36/48/1030613648.db2.gz YYWPRAGDOISPHL-UHFFFAOYSA-N 1 0 343.422 4.303 10 0 EIAERO CCc1cccc(C)c1NC(=O)CN1CC=C(c2cccs2)CC1 ZINC000117893762 1031267414 /nfs/dbraw/zinc/26/74/14/1031267414.db2.gz UCXXKULRPOJFPX-UHFFFAOYSA-N 1 0 340.492 4.347 10 0 EIAERO C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccc(Cl)s1 ZINC000124088661 1031507273 /nfs/dbraw/zinc/50/72/73/1031507273.db2.gz ZZWNQNZJSZLVNF-YCPHGPKFSA-N 1 0 349.931 4.358 10 0 EIAERO CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cc1 ZINC000128235199 1031729032 /nfs/dbraw/zinc/72/90/32/1031729032.db2.gz BMYHAUPIEDGHLJ-QGZVFWFLSA-N 1 0 339.483 4.108 10 0 EIAERO CCCc1ccc([C@@H]([NH2+]Cc2cccnc2-n2cncn2)C(C)C)cc1 ZINC000091285792 1039352369 /nfs/dbraw/zinc/35/23/69/1039352369.db2.gz ZNVQBVXUZPYJKS-FQEVSTJZSA-N 1 0 349.482 4.102 10 0 EIAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1nc2c(s1)CCCC2 ZINC000091735756 1039387681 /nfs/dbraw/zinc/38/76/81/1039387681.db2.gz MGMWPMVGHAPFMC-CYBMUJFWSA-N 1 0 347.553 4.403 10 0 EIAERO Cc1csc(C2CC[NH+](Cc3c[nH]nc3-c3ccc(C)o3)CC2)n1 ZINC000092787334 1039589191 /nfs/dbraw/zinc/58/91/91/1039589191.db2.gz KGERJDAPZGWHPR-UHFFFAOYSA-N 1 0 342.468 4.123 10 0 EIAERO C[NH2+]C[C@@H](OC1CCC(C)CC1)c1ccc(Br)cc1 ZINC000050490838 214058394 /nfs/dbraw/zinc/05/83/94/214058394.db2.gz ONWOSXUGUIBTBI-VDSRIPIWSA-N 1 0 326.278 4.305 10 0 EIAERO CC[C@H](C[NH2+]C(C)(C)C)N(C)Cc1cc(Br)cs1 ZINC000052516938 214130494 /nfs/dbraw/zinc/13/04/94/214130494.db2.gz LJOVMFRMXTWARR-GFCCVEGCSA-N 1 0 333.339 4.109 10 0 EIAERO CC[NH2+][C@H](Cc1cccs1)Cc1ccc(F)c(Br)c1 ZINC000052900715 214153460 /nfs/dbraw/zinc/15/34/60/214153460.db2.gz DMMXRGFQJCCLJY-LBPRGKRZSA-N 1 0 342.277 4.413 10 0 EIAERO C[NH2+][C@H](Cc1ccc(Br)s1)c1ccc(F)c(C)c1 ZINC000053829684 214201638 /nfs/dbraw/zinc/20/16/38/214201638.db2.gz YQKAAMJHSJTQDP-CYBMUJFWSA-N 1 0 328.250 4.461 10 0 EIAERO C[NH2+][C@H](Cc1sccc1Br)c1cccc(OC)c1 ZINC000053788726 214198560 /nfs/dbraw/zinc/19/85/60/214198560.db2.gz VTEJNMXRVDVYFJ-CYBMUJFWSA-N 1 0 326.259 4.022 10 0 EIAERO C[NH2+][C@H](Cc1cc(Br)cs1)c1ccccc1OC ZINC000053788252 214198696 /nfs/dbraw/zinc/19/86/96/214198696.db2.gz JMJVZOMOLDOTDX-CYBMUJFWSA-N 1 0 326.259 4.022 10 0 EIAERO CCC[N@H+](CC[C@@H](NC)c1ccc(Br)cc1)C(C)C ZINC000053939481 214205699 /nfs/dbraw/zinc/20/56/99/214205699.db2.gz GVIMAIQAZWWHBS-MRXNPFEDSA-N 1 0 327.310 4.220 10 0 EIAERO Cc1ccc(O[C@@H](C[NH3+])c2ccc(Br)cc2)c(Cl)c1 ZINC000054349562 214233264 /nfs/dbraw/zinc/23/32/64/214233264.db2.gz OFBBUVCWMOGUBV-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO CCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1OCC ZINC000020933432 212189831 /nfs/dbraw/zinc/18/98/31/212189831.db2.gz TZEHBZVLKUVDDU-UHFFFAOYSA-N 1 0 329.440 4.173 10 0 EIAERO C[NH2+][C@H](C)Cc1ccc(-c2c(F)cc(F)cc2Br)o1 ZINC000062770834 214731277 /nfs/dbraw/zinc/73/12/77/214731277.db2.gz UDURLHXOVQXVHK-MRVPVSSYSA-N 1 0 330.172 4.138 10 0 EIAERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)Cc1ccccc1Br ZINC000055335293 214309002 /nfs/dbraw/zinc/30/90/02/214309002.db2.gz KRUBATLWBRNUDN-CYBMUJFWSA-N 1 0 342.639 4.354 10 0 EIAERO COc1ccc(-c2cc(C[C@@H]3C[C@H]([NH2+]CC4CC4)C3(C)C)no2)cc1 ZINC000067890313 215242078 /nfs/dbraw/zinc/24/20/78/215242078.db2.gz KMHHBIRRYKCAGJ-UZLBHIALSA-N 1 0 340.467 4.307 10 0 EIAERO CCCCCN(C(C)C)[C@@H](C[NH3+])c1ccccc1Br ZINC000103931959 219330609 /nfs/dbraw/zinc/33/06/09/219330609.db2.gz CWUPGLAMVQQIAG-INIZCTEOSA-N 1 0 327.310 4.350 10 0 EIAERO CC[NH2+][C@H](C)[C@H](CCOc1ccc(Br)cc1)C(C)C ZINC000103941690 219331071 /nfs/dbraw/zinc/33/10/71/219331071.db2.gz ODCXTEOGPWVISN-CZUORRHYSA-N 1 0 328.294 4.488 10 0 EIAERO CC[NH2+][C@@H](C)[C@H](Cc1cc(Br)ccc1OC)C(C)C ZINC000103942897 219331505 /nfs/dbraw/zinc/33/15/05/219331505.db2.gz WETFCNOVWJYUKK-SWLSCSKDSA-N 1 0 328.294 4.270 10 0 EIAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)Oc1ccc(F)cc1Br ZINC000104012094 219338938 /nfs/dbraw/zinc/33/89/38/219338938.db2.gz MYFXMYKUFZCSAP-CQSZACIVSA-N 1 0 332.257 4.380 10 0 EIAERO CC(C)C[C@H](C)[N@H+](C)CCC(=O)c1cccc(Br)c1 ZINC000104011658 219339540 /nfs/dbraw/zinc/33/95/40/219339540.db2.gz SVBPUDODTACGGN-ZDUSSCGKSA-N 1 0 326.278 4.388 10 0 EIAERO C[NH+](C)CCCn1c2ccc(Cl)cc2nc1Cc1ccccc1 ZINC000040404205 213298366 /nfs/dbraw/zinc/29/83/66/213298366.db2.gz NFNFMGJTVGEEQG-UHFFFAOYSA-N 1 0 327.859 4.232 10 0 EIAERO Clc1cccc(CN([C@H]2CC[NH2+]C2)C2CCCCC2)c1Cl ZINC000038342585 213207318 /nfs/dbraw/zinc/20/73/18/213207318.db2.gz DITCXHPWTFMNQR-HNNXBMFYSA-N 1 0 327.299 4.490 10 0 EIAERO COc1c(C)cnc(C[NH2+][C@@H](C)c2cccc(Br)c2)c1C ZINC000038012607 213189238 /nfs/dbraw/zinc/18/92/38/213189238.db2.gz ZGTVAMJLQPCHPB-ZDUSSCGKSA-N 1 0 349.272 4.320 10 0 EIAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccccc1Br ZINC000038009415 213188201 /nfs/dbraw/zinc/18/82/01/213188201.db2.gz ZFRFODNRTVSQJP-OCCSQVGLSA-N 1 0 332.241 4.103 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2cc(Br)ccc2Cl)c(C)c1 ZINC000037287855 213139017 /nfs/dbraw/zinc/13/90/17/213139017.db2.gz GHLQKUZQEKRXOW-OAHLLOKOSA-N 1 0 340.648 4.468 10 0 EIAERO CC(C)CC[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000036031413 213056863 /nfs/dbraw/zinc/05/68/63/213056863.db2.gz RPXWCILOTCASNB-GOSISDBHSA-N 1 0 333.497 4.036 10 0 EIAERO C[NH2+][C@H](CC(C)(C)C)c1cc(OC)c(OC)cc1Br ZINC000035496678 213032763 /nfs/dbraw/zinc/03/27/63/213032763.db2.gz UOVTYMSUDOALTC-GFCCVEGCSA-N 1 0 330.266 4.163 10 0 EIAERO CCC[C@H](C)[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Br ZINC000035496645 213032534 /nfs/dbraw/zinc/03/25/34/213032534.db2.gz MOUGPHQVUMLEGT-BONVTDFDSA-N 1 0 330.266 4.163 10 0 EIAERO C[C@H]([NH3+])c1ccc(Oc2ccccc2I)cc1 ZINC000035454550 213028697 /nfs/dbraw/zinc/02/86/97/213028697.db2.gz WAPHKJFQFCGTQJ-JTQLQIEISA-N 1 0 339.176 4.103 10 0 EIAERO C[NH2+][C@@H](c1cccs1)c1cc(Cl)cc(Br)c1OC ZINC000035458005 213030707 /nfs/dbraw/zinc/03/07/07/213030707.db2.gz KFICJILCTWNNGA-GFCCVEGCSA-N 1 0 346.677 4.481 10 0 EIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(Br)ccc1OC ZINC000035455968 213030099 /nfs/dbraw/zinc/03/00/99/213030099.db2.gz SLRCDOHOUZIIRQ-CQSZACIVSA-N 1 0 326.259 4.136 10 0 EIAERO COc1cccc(-c2cccc([C@@H]3Cc4ccccc4C(=[NH2+])N3)c2)c1 ZINC000034997381 213003386 /nfs/dbraw/zinc/00/33/86/213003386.db2.gz ZBIUQYWFCPRFKA-NRFANRHFSA-N 1 0 328.415 4.365 10 0 EIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000022936496 212337541 /nfs/dbraw/zinc/33/75/41/212337541.db2.gz NXOAWLISDJTISZ-SFHVURJKSA-N 1 0 335.495 4.388 10 0 EIAERO CCCOc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000020930944 212189617 /nfs/dbraw/zinc/18/96/17/212189617.db2.gz CYLVOGMXDYAXCF-UHFFFAOYSA-N 1 0 329.484 4.398 10 0 EIAERO COCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875709 212182025 /nfs/dbraw/zinc/18/20/25/212182025.db2.gz XGFNRWNFTNABKU-UHFFFAOYSA-N 1 0 344.636 4.099 10 0 EIAERO CC[NH+](CC)CCNCc1ccccc1OCc1ccc(C)cc1 ZINC000020873665 212179742 /nfs/dbraw/zinc/17/97/42/212179742.db2.gz BRPJEKXPYFOVDC-UHFFFAOYSA-N 1 0 326.484 4.005 10 0 EIAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000020586652 212150097 /nfs/dbraw/zinc/15/00/97/212150097.db2.gz ZBEQHRHBWJZSDF-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO CCOc1c(C[NH2+]CCc2ccc(OC)cc2)cc(Cl)cc1OC ZINC000020476787 212135976 /nfs/dbraw/zinc/13/59/76/212135976.db2.gz CUMQKDXCQUUFHH-UHFFFAOYSA-N 1 0 349.858 4.088 10 0 EIAERO [NH3+][C@H](Cc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000020428630 212128337 /nfs/dbraw/zinc/12/83/37/212128337.db2.gz XINBQGUOLWLFDS-GFCCVEGCSA-N 1 0 333.254 4.301 10 0 EIAERO [NH3+][C@H](c1cc(F)ccc1Br)c1c(F)cc(F)cc1F ZINC000019971710 212092182 /nfs/dbraw/zinc/09/21/82/212092182.db2.gz XYAVHYDSHPJFEQ-CYBMUJFWSA-N 1 0 334.110 4.054 10 0 EIAERO C[C@H]([NH3+])[C@H](OCCc1cccs1)c1ccccc1Br ZINC000043095611 213560832 /nfs/dbraw/zinc/56/08/32/213560832.db2.gz GDJLQBGAOOEZPK-NHYWBVRUSA-N 1 0 340.286 4.158 10 0 EIAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H]([NH3+])c3c2cccc3Cl)CC1 ZINC000079027383 217176721 /nfs/dbraw/zinc/17/67/21/217176721.db2.gz QWKNKELTUAQWSN-CQSZACIVSA-N 1 0 336.863 4.012 10 0 EIAERO Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccc(F)cc2)cc1 ZINC000013776227 211636040 /nfs/dbraw/zinc/63/60/40/211636040.db2.gz ZBKITZYQNFJNIF-DFNIBXOVSA-N 1 0 329.390 4.354 10 0 EIAERO COCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000013722239 211620170 /nfs/dbraw/zinc/62/01/70/211620170.db2.gz QJWAUCDFDMMKNU-UHFFFAOYSA-N 1 0 349.858 4.054 10 0 EIAERO [NH3+]Cc1ccc(COc2ccc(Cl)cc2Br)cc1 ZINC000011945745 211274636 /nfs/dbraw/zinc/27/46/36/211274636.db2.gz QLIXXEYGASBCGS-UHFFFAOYSA-N 1 0 326.621 4.140 10 0 EIAERO C[C@@H]1[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238854999 258001139 /nfs/dbraw/zinc/00/11/39/258001139.db2.gz QBFXTPLFVTYROG-MUQADHOPSA-N 1 0 332.488 4.056 10 0 EIAERO C[C@@H]1[C@H](C)C[N@H+](Cc2ccccc2)[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856908 258001151 /nfs/dbraw/zinc/00/11/51/258001151.db2.gz XQHWJVYZQCZBNX-KONPQCLYSA-N 1 0 332.488 4.056 10 0 EIAERO CC(C)c1cc(N2CCC(C[NH3+])CC2)nc(-c2cccc(Cl)c2)n1 ZINC000070456151 135618270 /nfs/dbraw/zinc/61/82/70/135618270.db2.gz XYHTXQQPOWCPLD-UHFFFAOYSA-N 1 0 344.890 4.096 10 0 EIAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000013719866 563716066 /nfs/dbraw/zinc/71/60/66/563716066.db2.gz OPJRBMCDIDMOJG-UHFFFAOYSA-N 1 0 343.895 4.434 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000675052434 564052425 /nfs/dbraw/zinc/05/24/25/564052425.db2.gz AJBWUPFOFJRINF-BXUZGUMPSA-N 1 0 345.270 4.393 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cccc(Cl)c1Cl ZINC000675053578 564080479 /nfs/dbraw/zinc/08/04/79/564080479.db2.gz JBNSENWEBGVYPG-MFKMUULPSA-N 1 0 345.270 4.393 10 0 EIAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)s1 ZINC000126323759 1031643338 /nfs/dbraw/zinc/64/33/38/1031643338.db2.gz CFMYYBHVZCJEDR-BXWFABGCSA-N 1 0 343.540 4.267 10 0 EIAERO COc1ccc([C@@H](N[C@H](C)CSC(C)(C)C)c2nccn2C)cc1 ZINC000129116126 1031778756 /nfs/dbraw/zinc/77/87/56/1031778756.db2.gz WDLLXVYJXLLBIW-RHSMWYFYSA-N 1 0 347.528 4.028 10 0 EIAERO Clc1ccccc1-c1ccc(C[NH+]2CCC(n3cncn3)CC2)o1 ZINC000092648045 1039573026 /nfs/dbraw/zinc/57/30/26/1039573026.db2.gz DTRGMDXAAILBGK-UHFFFAOYSA-N 1 0 342.830 4.029 10 0 EIAERO Cc1cccnc1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093193453 1039642205 /nfs/dbraw/zinc/64/22/05/1039642205.db2.gz IRZDLWQSLXPKML-GOSISDBHSA-N 1 0 332.451 4.160 10 0 EIAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000093564446 1039718060 /nfs/dbraw/zinc/71/80/60/1039718060.db2.gz CVEIFBLXJBNGGP-KXBFYZLASA-N 1 0 338.451 4.032 10 0 EIAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000076389473 1045893061 /nfs/dbraw/zinc/89/30/61/1045893061.db2.gz KKWHJZDLIDEENK-CRAIPNDOSA-N 1 0 349.434 4.123 10 0 EIAERO C[C@@H]([NH3+])[C@H](OCC1CCCCC1)c1ccccc1Br ZINC000052147773 214118928 /nfs/dbraw/zinc/11/89/28/214118928.db2.gz VKARLICBCRWQEB-WBMJQRKESA-N 1 0 326.278 4.434 10 0 EIAERO CCC[C@@H](CCOc1cccc(Br)c1)C[NH2+]C1CC1 ZINC000052970581 214157604 /nfs/dbraw/zinc/15/76/04/214157604.db2.gz YEVMDZRPPACUCJ-ZDUSSCGKSA-N 1 0 326.278 4.386 10 0 EIAERO CC[NH2+][C@H](Cc1ccc(Br)s1)Cc1cccc(F)c1 ZINC000053830819 214201475 /nfs/dbraw/zinc/20/14/75/214201475.db2.gz RPGZWIOSWIPHGV-ZDUSSCGKSA-N 1 0 342.277 4.413 10 0 EIAERO C[C@]([NH3+])(Cc1cc(F)ccc1Br)c1ccccc1F ZINC000053755973 214196107 /nfs/dbraw/zinc/19/61/07/214196107.db2.gz WAKSSMVHUVFLAP-HNNXBMFYSA-N 1 0 326.184 4.144 10 0 EIAERO [NH3+][C@H](Cc1ccc(Cl)cc1)Cc1ccc(F)cc1Br ZINC000053817467 214200732 /nfs/dbraw/zinc/20/07/32/214200732.db2.gz CNZIXQXSSLBHDT-CQSZACIVSA-N 1 0 342.639 4.354 10 0 EIAERO CC[N@H+](CC[C@H](NC)c1ccc(Br)cc1)CC(C)C ZINC000053938904 214205380 /nfs/dbraw/zinc/20/53/80/214205380.db2.gz VYUQUQIOTFYBCT-INIZCTEOSA-N 1 0 327.310 4.078 10 0 EIAERO CCN[C@@H](CC[N@H+](C)[C@@H](C)CC)c1cccc(Br)c1 ZINC000053938810 214205504 /nfs/dbraw/zinc/20/55/04/214205504.db2.gz ZKHKQNALZCHBAM-BBRMVZONSA-N 1 0 327.310 4.220 10 0 EIAERO CCCC[N@H+](CC)CC[C@@H](NC)c1ccc(Br)cc1 ZINC000053938316 214206029 /nfs/dbraw/zinc/20/60/29/214206029.db2.gz BACNPGCZUJPZBL-MRXNPFEDSA-N 1 0 327.310 4.222 10 0 EIAERO COc1ccc([C@H](C[NH3+])Sc2cccc(Br)c2)cc1 ZINC000055307380 214304100 /nfs/dbraw/zinc/30/41/00/214304100.db2.gz XTOHAOZPTRPKPH-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO CC[C@@H]([NH3+])[C@H](Sc1cccc(Br)c1)c1ccccn1 ZINC000055307578 214304317 /nfs/dbraw/zinc/30/43/17/214304317.db2.gz ZSPCQKOFZRMCBV-HIFRSBDPSA-N 1 0 337.286 4.415 10 0 EIAERO Cc1ccc(O[C@@H](c2cccs2)[C@H](C)[NH3+])c(Br)c1 ZINC000043110353 213561675 /nfs/dbraw/zinc/56/16/75/213561675.db2.gz KEJDQNXSKOUIEJ-IINYFYTJSA-N 1 0 326.259 4.286 10 0 EIAERO C[C@H]([NH3+])[C@H](OCc1cccs1)c1ccc(Br)cc1 ZINC000042958491 213546418 /nfs/dbraw/zinc/54/64/18/213546418.db2.gz UHCPUJWWIBRPDM-HZMBPMFUSA-N 1 0 326.259 4.116 10 0 EIAERO [NH3+]C[C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1 ZINC000042899951 213540109 /nfs/dbraw/zinc/54/01/09/213540109.db2.gz YASUDRWQONHCCO-CQSZACIVSA-N 1 0 326.621 4.181 10 0 EIAERO CCC1(CC)CC[NH+](Cc2c(N)cccc2Br)CC1 ZINC000103934950 219330531 /nfs/dbraw/zinc/33/05/31/219330531.db2.gz KAIPOULNAKOGRG-UHFFFAOYSA-N 1 0 325.294 4.434 10 0 EIAERO CC[NH2+][C@@H](c1cccc(I)c1)C1=CCCCC1 ZINC000104011009 219338951 /nfs/dbraw/zinc/33/89/51/219338951.db2.gz PJRHUDHDNMBXGF-OAHLLOKOSA-N 1 0 341.236 4.442 10 0 EIAERO CCC[NH2+]C[C@H](Cc1cc(Br)ccc1OC)C(C)C ZINC000104012270 219339063 /nfs/dbraw/zinc/33/90/63/219339063.db2.gz UDTCAGDGEHXQRB-AWEZNQCLSA-N 1 0 328.294 4.272 10 0 EIAERO CC[C@@H]([NH3+])Cc1cc(Br)ccc1OCC1CCCC1 ZINC000104021542 219340027 /nfs/dbraw/zinc/34/00/27/219340027.db2.gz SAZVTRCFHPDMFB-OAHLLOKOSA-N 1 0 326.278 4.298 10 0 EIAERO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592732 215322017 /nfs/dbraw/zinc/32/20/17/215322017.db2.gz ORBLPFKGRVVFDQ-DFGXFYAUSA-N 1 0 332.488 4.199 10 0 EIAERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000068592890 215322071 /nfs/dbraw/zinc/32/20/71/215322071.db2.gz WJXVFKYBSHGCGK-KYHPRHEASA-N 1 0 332.488 4.199 10 0 EIAERO [NH3+][C@@H](Cc1ccc(Br)cc1F)c1cc(F)ccc1F ZINC000104230344 219362673 /nfs/dbraw/zinc/36/26/73/219362673.db2.gz PCKILAKLPMNSDH-AWEZNQCLSA-N 1 0 330.147 4.109 10 0 EIAERO C[C@@H]([NH3+])c1cc(Br)ccc1OCCc1cccs1 ZINC000104264817 219366434 /nfs/dbraw/zinc/36/64/34/219366434.db2.gz OPXUSUXQNBUGGW-SNVBAGLBSA-N 1 0 326.259 4.152 10 0 EIAERO [NH3+]C[C@@H](Oc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000104426682 219386106 /nfs/dbraw/zinc/38/61/06/219386106.db2.gz UREKWIORKKTJFY-CQSZACIVSA-N 1 0 344.611 4.320 10 0 EIAERO Clc1cc2c(s1)C[NH2+]C[C@H]2c1ccc(Br)cc1 ZINC000038157530 213203461 /nfs/dbraw/zinc/20/34/61/213203461.db2.gz QQKIRMSLWKTONS-NSHDSACASA-N 1 0 328.662 4.399 10 0 EIAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Br)c1)N1CCCCC1 ZINC000038029099 213192869 /nfs/dbraw/zinc/19/28/69/213192869.db2.gz ILAPQAHIWMCHND-OLZOCXBDSA-N 1 0 343.284 4.113 10 0 EIAERO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Br)c2)c1 ZINC000038012589 213188185 /nfs/dbraw/zinc/18/81/85/213188185.db2.gz QXSWPHFWMJWIMD-ZDUSSCGKSA-N 1 0 347.256 4.047 10 0 EIAERO [NH3+]Cc1cccc(OCCCOc2ccc(Cl)c(Cl)c2)c1 ZINC000038001388 213185601 /nfs/dbraw/zinc/18/56/01/213185601.db2.gz VNQOTBTYDUKVFQ-UHFFFAOYSA-N 1 0 326.223 4.300 10 0 EIAERO CSCC[C@H]([NH3+])c1nc2cc(Br)ccc2n1C(C)C ZINC000037441776 213147500 /nfs/dbraw/zinc/14/75/00/213147500.db2.gz BRWMKLKLISFMAO-NSHDSACASA-N 1 0 342.306 4.133 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2cc3c(s2)CCC3)c(Br)c1 ZINC000037444890 213148230 /nfs/dbraw/zinc/14/82/30/213148230.db2.gz XKVFCHAVHVXVCQ-OAHLLOKOSA-N 1 0 338.270 4.056 10 0 EIAERO CC[NH2+][C@@H](c1cccs1)c1cc(Br)ccc1OC ZINC000035508794 213033665 /nfs/dbraw/zinc/03/36/65/213033665.db2.gz IEIVNRKGINRZJC-CQSZACIVSA-N 1 0 326.259 4.218 10 0 EIAERO CCC[C@H](C)[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Br ZINC000035496649 213032847 /nfs/dbraw/zinc/03/28/47/213032847.db2.gz MOUGPHQVUMLEGT-ZUZCIYMTSA-N 1 0 330.266 4.163 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)c1ccc(F)c(F)c1 ZINC000035494679 213032768 /nfs/dbraw/zinc/03/27/68/213032768.db2.gz OWCOQPKDGXSASG-HNNXBMFYSA-N 1 0 326.184 4.231 10 0 EIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)c(Br)c1 ZINC000035455023 213030383 /nfs/dbraw/zinc/03/03/83/213030383.db2.gz HNUFKUIFVWTPKC-CQSZACIVSA-N 1 0 326.259 4.136 10 0 EIAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccc(OC)c(Cl)c1 ZINC000035461649 213030095 /nfs/dbraw/zinc/03/00/95/213030095.db2.gz GKQUGAPNMYLJQF-ZDUSSCGKSA-N 1 0 346.677 4.481 10 0 EIAERO CCOc1ccc(Br)cc1[C@H]([NH3+])c1sccc1C ZINC000035081849 213007188 /nfs/dbraw/zinc/00/71/88/213007188.db2.gz OMGBDUQEKVIFIU-ZDUSSCGKSA-N 1 0 326.259 4.266 10 0 EIAERO [NH3+][C@H](Cc1ccc2ccccc2n1)c1ccccc1Br ZINC000034940427 213002813 /nfs/dbraw/zinc/00/28/13/213002813.db2.gz CPUIRSJKSNHFET-MRXNPFEDSA-N 1 0 327.225 4.240 10 0 EIAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)c1ccccc1Br ZINC000034940426 213002028 /nfs/dbraw/zinc/00/20/28/213002028.db2.gz CPUIRSJKSNHFET-INIZCTEOSA-N 1 0 327.225 4.240 10 0 EIAERO CC[NH2+][C@H](c1ccc(Br)cc1)c1ccc(F)cc1F ZINC000035539176 213037975 /nfs/dbraw/zinc/03/79/75/213037975.db2.gz OEFLTONQBPQMDF-OAHLLOKOSA-N 1 0 326.184 4.426 10 0 EIAERO [NH3+]CCc1cc(Cl)ccc1OCc1ccc(Br)s1 ZINC000037720970 213162912 /nfs/dbraw/zinc/16/29/12/213162912.db2.gz FXCBSNYZJAAVJB-UHFFFAOYSA-N 1 0 346.677 4.244 10 0 EIAERO Clc1ccc(CCN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000022935725 212337462 /nfs/dbraw/zinc/33/74/62/212337462.db2.gz OQGQWYZQJYEGSJ-MRXNPFEDSA-N 1 0 341.326 4.486 10 0 EIAERO CCCOc1ccc2ccccc2c1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000020930696 212189399 /nfs/dbraw/zinc/18/93/99/212189399.db2.gz BKLIKFDLNFZLCQ-OAQYLSRUSA-N 1 0 335.447 4.452 10 0 EIAERO CCCOc1ccc(Cl)cc1C[NH2+]CCc1ccccc1OC ZINC000020929037 212188591 /nfs/dbraw/zinc/18/85/91/212188591.db2.gz XCLRLZNAMTXQPW-UHFFFAOYSA-N 1 0 333.859 4.470 10 0 EIAERO COc1ccccc1CC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928601 212188345 /nfs/dbraw/zinc/18/83/45/212188345.db2.gz GWYRKEUYIIULIH-UHFFFAOYSA-N 1 0 340.250 4.343 10 0 EIAERO COc1ccc([C@@H]([NH3+])Cc2ccc(Br)cc2)cc1Cl ZINC000020521874 212143877 /nfs/dbraw/zinc/14/38/77/212143877.db2.gz IQDMBZJZCYXRRS-AWEZNQCLSA-N 1 0 340.648 4.354 10 0 EIAERO [NH3+][C@@H](Cc1ccc(Br)cc1)c1c(F)cc(F)cc1F ZINC000019971735 212092464 /nfs/dbraw/zinc/09/24/64/212092464.db2.gz XCJSRIWRLYDSSF-ZDUSSCGKSA-N 1 0 330.147 4.109 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1ccc(C)cc1 ZINC000019967843 212091883 /nfs/dbraw/zinc/09/18/83/212091883.db2.gz ASALPPNNQKWFQZ-CQSZACIVSA-N 1 0 340.648 4.468 10 0 EIAERO NC(=[NH2+])c1ccnc(Oc2ccc3cc(Br)ccc3c2)c1 ZINC000019482018 212032811 /nfs/dbraw/zinc/03/28/11/212032811.db2.gz FJUVKWFCZCZULT-UHFFFAOYSA-N 1 0 342.196 4.074 10 0 EIAERO Cc1csc(S[C@H](c2ccccc2Br)[C@H](C)[NH3+])n1 ZINC000043096004 213560970 /nfs/dbraw/zinc/56/09/70/213560970.db2.gz BMVRSGZPEOPOBH-CABZTGNLSA-N 1 0 343.315 4.395 10 0 EIAERO C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)c1cccs1 ZINC000049598937 214021895 /nfs/dbraw/zinc/02/18/95/214021895.db2.gz QNDUKFCEHDDRLS-GFCCVEGCSA-N 1 0 326.259 4.022 10 0 EIAERO CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1OC)[C@@H]2[NH3+] ZINC000011849239 211257711 /nfs/dbraw/zinc/25/77/11/211257711.db2.gz WYNZJALDBXDNHJ-RBUKOAKNSA-N 1 0 327.424 4.049 10 0 EIAERO CCOc1ccc2c(c1)OC(C)(C)[C@H](c1ccc(OC)cc1)[C@@H]2[NH3+] ZINC000011849241 211257719 /nfs/dbraw/zinc/25/77/19/211257719.db2.gz DEXGTLNAPMYXGF-RTBURBONSA-N 1 0 327.424 4.049 10 0 EIAERO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238857081 258001186 /nfs/dbraw/zinc/00/11/86/258001186.db2.gz YASBDTKCNDHYRQ-CNMWIUBYSA-N 1 0 346.515 4.445 10 0 EIAERO Clc1sc([C@H]2[NH2+]CCc3sccc32)cc1Br ZINC000397201139 568417437 /nfs/dbraw/zinc/41/74/37/568417437.db2.gz WCSNREFDTBKCLS-JTQLQIEISA-N 1 0 334.691 4.461 10 0 EIAERO Clc1ccc(CC[NH2+]Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000013721552 563716344 /nfs/dbraw/zinc/71/63/44/563716344.db2.gz DTBMUCYCEWLQRB-UHFFFAOYSA-N 1 0 339.826 4.255 10 0 EIAERO COCCC[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000013722617 563717185 /nfs/dbraw/zinc/71/71/85/563717185.db2.gz PBBSYIXFXIUAIH-UHFFFAOYSA-N 1 0 338.245 4.144 10 0 EIAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013726820 563718684 /nfs/dbraw/zinc/71/86/84/563718684.db2.gz LXLDRVJJYKPLEY-KRWDZBQOSA-N 1 0 333.435 4.380 10 0 EIAERO CC[NH2+]CC[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000725271903 563988234 /nfs/dbraw/zinc/98/82/34/563988234.db2.gz KHEROWWCUOLHND-CQSZACIVSA-N 1 0 346.393 4.271 10 0 EIAERO COCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428341 564045736 /nfs/dbraw/zinc/04/57/36/564045736.db2.gz WRRYPSCLZBUDGT-UHFFFAOYSA-N 1 0 340.250 4.308 10 0 EIAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cccc(Cl)c2Cl)C1 ZINC000675053546 564080393 /nfs/dbraw/zinc/08/03/93/564080393.db2.gz IXGZMADPYWQMGL-ZWNOBZJWSA-N 1 0 345.270 4.311 10 0 EIAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000675054271 564081134 /nfs/dbraw/zinc/08/11/34/564081134.db2.gz MPUWZIMGXDZBQC-ZIAGYGMSSA-N 1 0 345.270 4.311 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cc(Cl)ccc1Cl ZINC000675055203 564084343 /nfs/dbraw/zinc/08/43/43/564084343.db2.gz RCJSZGCTBFDYBG-FZMZJTMJSA-N 1 0 345.270 4.393 10 0 EIAERO Cc1cc(C[N@H+]2CCC[C@H](C)C2)c(C)cc1I ZINC000675075909 564113306 /nfs/dbraw/zinc/11/33/06/564113306.db2.gz WVPIDWLBXDORQJ-NSHDSACASA-N 1 0 343.252 4.140 10 0 EIAERO CC(C)c1noc([C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C2CCOCC2)n1 ZINC000328635719 564137117 /nfs/dbraw/zinc/13/71/17/564137117.db2.gz UXQZEDMNBRUBNE-KZNAEPCWSA-N 1 0 347.503 4.219 10 0 EIAERO Cc1cccc(N2CCC([NH2+][C@H]3CCSc4ccccc43)CC2)n1 ZINC000128113508 1031727659 /nfs/dbraw/zinc/72/76/59/1031727659.db2.gz DXDHFBVWLPBFOP-SFHVURJKSA-N 1 0 339.508 4.186 10 0 EIAERO CC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1ccc(OC)cc1 ZINC000128137514 1031727999 /nfs/dbraw/zinc/72/79/99/1031727999.db2.gz ZSQKBLOMGVJXPC-FQEVSTJZSA-N 1 0 339.483 4.108 10 0 EIAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788453 1039589923 /nfs/dbraw/zinc/58/99/23/1039589923.db2.gz OKQJQQBKXBSIDC-INIZCTEOSA-N 1 0 338.480 4.221 10 0 EIAERO CCC[NH+]1CCC(N(C)Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000072630367 1045790158 /nfs/dbraw/zinc/79/01/58/1045790158.db2.gz TWSZDAYNSBXLCY-UHFFFAOYSA-N 1 0 347.890 4.301 10 0 EIAERO CC[N@@H+]1CC[C@H](N(C)Cc2ncc(-c3ccccc3Cl)o2)[C@H](C)C1 ZINC000081095982 1046907738 /nfs/dbraw/zinc/90/77/38/1046907738.db2.gz ONHTXPWKARMFOC-PBHICJAKSA-N 1 0 347.890 4.157 10 0 EIAERO CC[NH2+]C[C@H](OC1CCCCC1)c1ccc(Br)cc1 ZINC000050487001 214058077 /nfs/dbraw/zinc/05/80/77/214058077.db2.gz LEDWUYQUJBVEJD-INIZCTEOSA-N 1 0 326.278 4.449 10 0 EIAERO Brc1ccc2sc(CC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000050927856 214073111 /nfs/dbraw/zinc/07/31/11/214073111.db2.gz USJDQYULZUJGNB-LLVKDONJSA-N 1 0 325.275 4.134 10 0 EIAERO C[NH2+]Cc1cnc(Oc2ccc(Br)cc2F)c(Cl)c1 ZINC000051570505 214097686 /nfs/dbraw/zinc/09/76/86/214097686.db2.gz SLXVTHOBQQJGRA-UHFFFAOYSA-N 1 0 345.599 4.148 10 0 EIAERO C[NH2+][C@H](C)c1cc(Br)ccc1OCc1cccs1 ZINC000052067063 214115181 /nfs/dbraw/zinc/11/51/81/214115181.db2.gz QWRRALREOHDFGQ-SNVBAGLBSA-N 1 0 326.259 4.370 10 0 EIAERO CC[NH2+][C@@H](C)c1cc(Br)ccc1OCC(F)(F)F ZINC000052067322 214115416 /nfs/dbraw/zinc/11/54/16/214115416.db2.gz AXHMBZBUAYHCQC-QMMMGPOBSA-N 1 0 326.156 4.061 10 0 EIAERO CC(C)C[NH2+]CCC[C@@H](C)Oc1ccc(Br)cc1F ZINC000052695896 214140399 /nfs/dbraw/zinc/14/03/99/214140399.db2.gz CZZUPUDXFYPBEJ-GFCCVEGCSA-N 1 0 332.257 4.381 10 0 EIAERO Cc1oc(C[NH3+])cc1COc1ccc(Cl)cc1Br ZINC000052692323 214140996 /nfs/dbraw/zinc/14/09/96/214140996.db2.gz QXACPHCGGVYHGJ-UHFFFAOYSA-N 1 0 330.609 4.042 10 0 EIAERO C[NH2+]C[C@H](Cc1ccc(Br)s1)Cc1cccc(F)c1 ZINC000052976878 214158790 /nfs/dbraw/zinc/15/87/90/214158790.db2.gz FVOQMGCMZXDHGQ-LBPRGKRZSA-N 1 0 342.277 4.271 10 0 EIAERO CCC[NH2+][C@H](Cc1cc(F)ccc1Br)CC(F)(F)F ZINC000053832656 214201800 /nfs/dbraw/zinc/20/18/00/214201800.db2.gz ZPGYBVUQUOTZCQ-LLVKDONJSA-N 1 0 342.174 4.451 10 0 EIAERO [NH3+][C@@H](Cc1sccc1Br)Cc1cccc(Cl)c1 ZINC000053816841 214200324 /nfs/dbraw/zinc/20/03/24/214200324.db2.gz JLCIXCRDLVILLQ-LLVKDONJSA-N 1 0 330.678 4.277 10 0 EIAERO CCC[N@H+](CC[C@H](NC)c1ccc(Br)cc1)C(C)C ZINC000053939480 214205514 /nfs/dbraw/zinc/20/55/14/214205514.db2.gz GVIMAIQAZWWHBS-INIZCTEOSA-N 1 0 327.310 4.220 10 0 EIAERO CCN[C@H](CC[N@H+](C)CC(C)C)c1cccc(Br)c1 ZINC000053939395 214206530 /nfs/dbraw/zinc/20/65/30/214206530.db2.gz FGXAVPNEGTWABL-MRXNPFEDSA-N 1 0 327.310 4.078 10 0 EIAERO CCCC[N@H+](CC[C@@H](O)c1cccc(Br)c1)C1CC1 ZINC000053973238 214209406 /nfs/dbraw/zinc/20/94/06/214209406.db2.gz KVGJNRLQJFUYSU-MRXNPFEDSA-N 1 0 326.278 4.137 10 0 EIAERO CN(CC[C@@H]([NH3+])c1ccccc1Br)Cc1ccsc1 ZINC000054017664 214211325 /nfs/dbraw/zinc/21/13/25/214211325.db2.gz ZWBBPRZCHBLPCJ-OAHLLOKOSA-N 1 0 339.302 4.033 10 0 EIAERO C[NH2+]CC1(Cc2cc(Br)ccc2OC)CCCCC1 ZINC000054654814 214248293 /nfs/dbraw/zinc/24/82/93/214248293.db2.gz ZIGOVARYLJPHQO-UHFFFAOYSA-N 1 0 326.278 4.170 10 0 EIAERO C[NH2+][C@H](Cc1ccccc1Br)c1cc(F)ccc1F ZINC000055335546 214309018 /nfs/dbraw/zinc/30/90/18/214309018.db2.gz UMTUTPCFWYFFAH-OAHLLOKOSA-N 1 0 326.184 4.231 10 0 EIAERO C[NH2+]CC[C@@H](Oc1cccc2c(O)c(OC)ccc12)c1cccs1 ZINC000097974987 219065708 /nfs/dbraw/zinc/06/57/08/219065708.db2.gz MHWRJCBZOCBFBD-MRXNPFEDSA-N 1 0 343.448 4.345 10 0 EIAERO CC[C@@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000003607702 210065109 /nfs/dbraw/zinc/06/51/09/210065109.db2.gz FPAVJVKMXWGLPJ-FCHUYYIVSA-N 1 0 339.479 4.159 10 0 EIAERO Cc1ccc([C@H](C[NH3+])Oc2ccc(Cl)cc2Br)cc1 ZINC000042906921 213541387 /nfs/dbraw/zinc/54/13/87/213541387.db2.gz ABRUGVXHFRJVAJ-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N(C)Cc1cc(Br)cs1 ZINC000042902318 213540912 /nfs/dbraw/zinc/54/09/12/213540912.db2.gz AWGUOEVXKMYSOJ-IAQYHMDHSA-N 1 0 339.302 4.031 10 0 EIAERO CCC[NH2+][C@@H](CCc1cc(Br)ccc1OC)C(C)C ZINC000103938864 219330644 /nfs/dbraw/zinc/33/06/44/219330644.db2.gz YKLPGYNQAWRZAE-HNNXBMFYSA-N 1 0 328.294 4.415 10 0 EIAERO CC[NH2+][C@H](C)[C@@H](CCOc1ccc(Br)cc1)C(C)C ZINC000103941684 219331083 /nfs/dbraw/zinc/33/10/83/219331083.db2.gz ODCXTEOGPWVISN-CJNGLKHVSA-N 1 0 328.294 4.488 10 0 EIAERO COc1ccc(Br)cc1C[C@@H]([NH3+])C1CCC(C)CC1 ZINC000103950004 219332261 /nfs/dbraw/zinc/33/22/61/219332261.db2.gz PHWQKEHJAPGJTL-KOHJWAIASA-N 1 0 326.278 4.154 10 0 EIAERO Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2C)c(Br)c1 ZINC000104013032 219339197 /nfs/dbraw/zinc/33/91/97/219339197.db2.gz RNCABOYFMRFFKD-DZGCQCFKSA-N 1 0 326.278 4.305 10 0 EIAERO [NH3+]C[C@@H](Cc1ccc(Cl)cc1)Cc1ccc(Br)cc1 ZINC000104155209 219354926 /nfs/dbraw/zinc/35/49/26/219354926.db2.gz UUXGSOMOWMDIEP-CQSZACIVSA-N 1 0 338.676 4.463 10 0 EIAERO CCCCN(CC)c1cc(Br)ccc1C[C@H]([NH3+])CC ZINC000104256344 219366751 /nfs/dbraw/zinc/36/67/51/219366751.db2.gz AGNXPYVEJLCRQW-OAHLLOKOSA-N 1 0 327.310 4.355 10 0 EIAERO Cc1ccc([C@H](C)[NH3+])c(OCc2cc(Br)cs2)c1 ZINC000104329891 219375538 /nfs/dbraw/zinc/37/55/38/219375538.db2.gz BQKDDWRLPSYBHI-JTQLQIEISA-N 1 0 326.259 4.418 10 0 EIAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000040687497 213369019 /nfs/dbraw/zinc/36/90/19/213369019.db2.gz GLTMMRWDNWAMDN-UHFFFAOYSA-N 1 0 347.209 4.248 10 0 EIAERO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1Br ZINC000038041772 213197322 /nfs/dbraw/zinc/19/73/22/213197322.db2.gz KMAMJKCVQAJHHV-LSDHHAIUSA-N 1 0 339.321 4.222 10 0 EIAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(Br)c1 ZINC000038009442 213188495 /nfs/dbraw/zinc/18/84/95/213188495.db2.gz OHYVYKOIJGPJCK-BLLLJJGKSA-N 1 0 332.241 4.103 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2)c(Cl)c1 ZINC000036767621 213117761 /nfs/dbraw/zinc/11/77/61/213117761.db2.gz ZERKUFUJPMFPPJ-AWEZNQCLSA-N 1 0 326.621 4.159 10 0 EIAERO CC(C)CC[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1 ZINC000036031411 213056558 /nfs/dbraw/zinc/05/65/58/213056558.db2.gz RPXWCILOTCASNB-SFHVURJKSA-N 1 0 333.497 4.036 10 0 EIAERO CC[NH2+][C@@H](c1cccc(Br)c1)c1cc(F)ccc1F ZINC000035543550 213037923 /nfs/dbraw/zinc/03/79/23/213037923.db2.gz YGFDCWDTUKJSQZ-HNNXBMFYSA-N 1 0 326.184 4.426 10 0 EIAERO CC[NH2+][C@@H](c1ccc(Br)cc1)c1ccc(F)cc1F ZINC000035539174 213037667 /nfs/dbraw/zinc/03/76/67/213037667.db2.gz OEFLTONQBPQMDF-HNNXBMFYSA-N 1 0 326.184 4.426 10 0 EIAERO CCOc1ccc(Br)cc1[C@@H](CC(F)(F)F)[NH2+]C ZINC000035505957 213033960 /nfs/dbraw/zinc/03/39/60/213033960.db2.gz ZGHZLBPKLNVVMP-SNVBAGLBSA-N 1 0 326.156 4.061 10 0 EIAERO C[NH2+][C@H](c1cccc(Br)c1)c1ccc(OC)c(Cl)c1 ZINC000035461869 213030626 /nfs/dbraw/zinc/03/06/26/213030626.db2.gz ZYTJENFGMPBDIZ-OAHLLOKOSA-N 1 0 340.648 4.420 10 0 EIAERO CC(C)Oc1ccc([C@H]([NH3+])c2ccc(Br)s2)cc1 ZINC000035081731 213006210 /nfs/dbraw/zinc/00/62/10/213006210.db2.gz RUMXCKOZXGDAJV-AWEZNQCLSA-N 1 0 326.259 4.346 10 0 EIAERO [NH3+][C@@H](c1cc(Br)sc1Br)c1ccccc1 ZINC000036962058 213127520 /nfs/dbraw/zinc/12/75/20/213127520.db2.gz FULSTNYPMRAJMR-SNVBAGLBSA-N 1 0 347.075 4.321 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2Cl)cc1F ZINC000037365968 213141214 /nfs/dbraw/zinc/14/12/14/213141214.db2.gz XREINGUTXHGNOX-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO Clc1nc2c(-c3ccccc3)csc2c(N[C@H]2CCC[NH2+]C2)n1 ZINC000073735825 216418746 /nfs/dbraw/zinc/41/87/46/216418746.db2.gz QBHNAQDQUQCUFX-LBPRGKRZSA-N 1 0 344.871 4.176 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]Cc2cccnc2)cc1Cl ZINC000020926298 212187993 /nfs/dbraw/zinc/18/79/93/212187993.db2.gz CBTOSQNZZPZZHW-UHFFFAOYSA-N 1 0 325.239 4.467 10 0 EIAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)cc1Br ZINC000020522057 212143693 /nfs/dbraw/zinc/14/36/93/212143693.db2.gz NQMASTJSKUITFK-AWEZNQCLSA-N 1 0 340.648 4.354 10 0 EIAERO CCOc1c(C[NH2+]CCc2ccccc2F)cc(Cl)cc1OC ZINC000020476741 212136009 /nfs/dbraw/zinc/13/60/09/212136009.db2.gz FDVLKACEKBIIPD-UHFFFAOYSA-N 1 0 337.822 4.219 10 0 EIAERO Cc1cccc(-n2cc(C[NH3+])c(-c3ccc(Br)cc3)n2)c1 ZINC000020390757 212124214 /nfs/dbraw/zinc/12/42/14/212124214.db2.gz INIFGQSAZLWQNV-UHFFFAOYSA-N 1 0 342.240 4.069 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])Cc1ccccc1 ZINC000019967839 212091892 /nfs/dbraw/zinc/09/18/92/212091892.db2.gz JZHYBGNDTNNJBS-CQSZACIVSA-N 1 0 340.648 4.354 10 0 EIAERO [NH3+][C@H]1CN(Cc2ccccc2Cl)c2ccc(Br)cc21 ZINC000019795886 212069408 /nfs/dbraw/zinc/06/94/08/212069408.db2.gz UPDCXKGROLIAOY-AWEZNQCLSA-N 1 0 337.648 4.123 10 0 EIAERO C[C@@H]([NH3+])[C@H](OCCc1cccs1)c1ccccc1Br ZINC000043095613 213560954 /nfs/dbraw/zinc/56/09/54/213560954.db2.gz GDJLQBGAOOEZPK-ABAIWWIYSA-N 1 0 340.286 4.158 10 0 EIAERO Cc1nc(N2CCC[C@@H]([NH2+]CCC(C)C)CC2)nc2ccc(F)cc12 ZINC000014958613 211777856 /nfs/dbraw/zinc/77/78/56/211777856.db2.gz KHWIGIMIEJKJLD-QGZVFWFLSA-N 1 0 344.478 4.072 10 0 EIAERO CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1OC)[C@H]2[NH3+] ZINC000011849240 211257404 /nfs/dbraw/zinc/25/74/04/211257404.db2.gz WYNZJALDBXDNHJ-OALUTQOASA-N 1 0 327.424 4.049 10 0 EIAERO CCOc1ccc2c(c1)OC(C)(C)[C@H](c1ccc(OC)cc1)[C@H]2[NH3+] ZINC000011849242 211257164 /nfs/dbraw/zinc/25/71/64/211257164.db2.gz DEXGTLNAPMYXGF-MOPGFXCFSA-N 1 0 327.424 4.049 10 0 EIAERO Cc1ccccc1Cn1c2ccccc2nc1NC1CCC([NH3+])CC1 ZINC000095090268 218280148 /nfs/dbraw/zinc/28/01/48/218280148.db2.gz RUSPKHKKOYJBTM-UHFFFAOYSA-N 1 0 334.467 4.075 10 0 EIAERO CCN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000242687341 258000573 /nfs/dbraw/zinc/00/05/73/258000573.db2.gz UFYNNBDNSGGGEQ-AEFFLSMTSA-N 1 0 332.488 4.154 10 0 EIAERO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238857083 258001142 /nfs/dbraw/zinc/00/11/42/258001142.db2.gz YASBDTKCNDHYRQ-NVWPSHKXSA-N 1 0 346.515 4.445 10 0 EIAERO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000036992150 525530700 /nfs/dbraw/zinc/53/07/00/525530700.db2.gz LEAQSEGLMFCMOA-QWRGUYRKSA-N 1 0 343.901 4.217 10 0 EIAERO CCCCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCC ZINC000013720148 563716100 /nfs/dbraw/zinc/71/61/00/563716100.db2.gz VUEHWNCDMQJXNJ-UHFFFAOYSA-N 1 0 329.868 4.044 10 0 EIAERO COc1cc(C[NH2+]CCC(C)C)ccc1OCc1ccc(Cl)nc1 ZINC000013724363 563717994 /nfs/dbraw/zinc/71/79/94/563717994.db2.gz MJKOLPNVYRYJCX-UHFFFAOYSA-N 1 0 348.874 4.458 10 0 EIAERO CCn1cc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)c2ccccc21 ZINC000065288671 563852338 /nfs/dbraw/zinc/85/23/38/563852338.db2.gz BGTPCDIHQJVQDQ-QFIPXVFZSA-N 1 0 349.478 4.002 10 0 EIAERO CCn1cc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccc(C)cc4)c3)C2)cn1 ZINC000065387864 563959422 /nfs/dbraw/zinc/95/94/22/563959422.db2.gz LTVBDDSRNMYSKM-NRFANRHFSA-N 1 0 346.478 4.263 10 0 EIAERO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000015069550 564053264 /nfs/dbraw/zinc/05/32/64/564053264.db2.gz GLUREBCEEZOVJN-MRXNPFEDSA-N 1 0 339.414 4.497 10 0 EIAERO Cc1cc2[nH]c(C(=O)Nc3ccc(C)cc3C)c(C[NH+](C)C)c2s1 ZINC000075487842 564087057 /nfs/dbraw/zinc/08/70/57/564087057.db2.gz SMKRUZLSVBUCAF-UHFFFAOYSA-N 1 0 341.480 4.469 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000675055559 564111808 /nfs/dbraw/zinc/11/18/08/564111808.db2.gz VADLMAJSXJAVLB-UONOGXRCSA-N 1 0 345.270 4.393 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000675055562 564111828 /nfs/dbraw/zinc/11/18/28/564111828.db2.gz VADLMAJSXJAVLB-ZIAGYGMSSA-N 1 0 345.270 4.393 10 0 EIAERO CC(C)c1noc([C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C2CCOCC2)n1 ZINC000328635718 564137140 /nfs/dbraw/zinc/13/71/40/564137140.db2.gz UXQZEDMNBRUBNE-FGTMMUONSA-N 1 0 347.503 4.219 10 0 EIAERO Cc1csc(C2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)n1 ZINC000101549703 1031252483 /nfs/dbraw/zinc/25/24/83/1031252483.db2.gz DHLMIFXADWSUGW-UHFFFAOYSA-N 1 0 338.480 4.017 10 0 EIAERO O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000108795966 1031292844 /nfs/dbraw/zinc/29/28/44/1031292844.db2.gz DGBJBWBXMGCTGM-YADHBBJMSA-N 1 0 348.490 4.030 10 0 EIAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cc(F)c(F)c(F)c3)CC2)n1 ZINC000128143499 1031728360 /nfs/dbraw/zinc/72/83/60/1031728360.db2.gz XMVLHZHFYOMZBA-ZDUSSCGKSA-N 1 0 349.400 4.127 10 0 EIAERO c1csc(Cn2cccc2C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788494 1039591126 /nfs/dbraw/zinc/59/11/26/1039591126.db2.gz UGMFNNGYRJXRIG-OAHLLOKOSA-N 1 0 343.521 4.434 10 0 EIAERO c1csc(Cn2cccc2C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000092788493 1039592030 /nfs/dbraw/zinc/59/20/30/1039592030.db2.gz UGMFNNGYRJXRIG-HNNXBMFYSA-N 1 0 343.521 4.434 10 0 EIAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000093564445 1039717147 /nfs/dbraw/zinc/71/71/47/1039717147.db2.gz CVEIFBLXJBNGGP-BEFAXECRSA-N 1 0 338.451 4.032 10 0 EIAERO COc1ccc([C@@H]2C[C@H](C)[N@@H+]([C@@H](C)c3nc(C(C)C)no3)C2)cc1 ZINC000076391768 1045893102 /nfs/dbraw/zinc/89/31/02/1045893102.db2.gz QAWNFGHWIQMSAW-OFQRWUPVSA-N 1 0 329.444 4.141 10 0 EIAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000076389476 1045893941 /nfs/dbraw/zinc/89/39/41/1045893941.db2.gz KKWHJZDLIDEENK-MAUKXSAKSA-N 1 0 349.434 4.123 10 0 EIAERO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000076988616 1045923969 /nfs/dbraw/zinc/92/39/69/1045923969.db2.gz LWQFURPLXRKOLH-LEWJYISDSA-N 1 0 340.511 4.000 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Cl)s2)c(Br)c1 ZINC000051171833 214082141 /nfs/dbraw/zinc/08/21/41/214082141.db2.gz NYTFJCXWBYOIRN-GFCCVEGCSA-N 1 0 332.650 4.221 10 0 EIAERO CC(C)(C)[NH2+]C[C@H](OC1CCC1)c1ccc(Br)cc1 ZINC000052148921 214119090 /nfs/dbraw/zinc/11/90/90/214119090.db2.gz XZUZCOCLDATTGH-HNNXBMFYSA-N 1 0 326.278 4.447 10 0 EIAERO COCCC[C@@H](C[NH2+]C(C)C)Cc1ccccc1Br ZINC000052979987 214158602 /nfs/dbraw/zinc/15/86/02/214158602.db2.gz MZSCRZKQJNJLER-CQSZACIVSA-N 1 0 328.294 4.032 10 0 EIAERO COCC[C@@H](C[NH2+]C(C)(C)C)Cc1ccccc1Br ZINC000052980076 214159097 /nfs/dbraw/zinc/15/90/97/214159097.db2.gz BIWYEVYKLZGYOB-CYBMUJFWSA-N 1 0 328.294 4.032 10 0 EIAERO COc1cccc(Cn2c(C)c(C3=CC[NH2+]CC3)c3ccccc32)c1 ZINC000097673664 219046448 /nfs/dbraw/zinc/04/64/48/219046448.db2.gz NDCFBTFAQZIXJQ-UHFFFAOYSA-N 1 0 332.447 4.383 10 0 EIAERO C[C@H]1CCCC[C@@H]1[NH2+]CCN(C)Cc1cc(Br)cs1 ZINC000053429358 214182884 /nfs/dbraw/zinc/18/28/84/214182884.db2.gz YARPULDCEWXYFT-WFASDCNBSA-N 1 0 345.350 4.111 10 0 EIAERO C[NH2+][C@H]1CCCCC[C@H]1CN(C)Cc1cc(Br)cs1 ZINC000053873553 214202465 /nfs/dbraw/zinc/20/24/65/214202465.db2.gz SSVNVHYKGRCDGF-WFASDCNBSA-N 1 0 345.350 4.111 10 0 EIAERO CC(C)(C)[NH2+]C[C@H]1CCCCN1Cc1cc(Br)cs1 ZINC000053652881 214192815 /nfs/dbraw/zinc/19/28/15/214192815.db2.gz ASRORWFOEQKGHX-CYBMUJFWSA-N 1 0 345.350 4.253 10 0 EIAERO [NH3+][C@H](Cc1cccc(Cl)c1)Cc1ccc(F)cc1Br ZINC000053816809 214199772 /nfs/dbraw/zinc/19/97/72/214199772.db2.gz PRDZPPCEOUTEMD-CQSZACIVSA-N 1 0 342.639 4.354 10 0 EIAERO CCc1ccc(C[C@@H](Cc2ccc(Br)cc2)[NH2+]C)s1 ZINC000053821342 214200565 /nfs/dbraw/zinc/20/05/65/214200565.db2.gz UKHPIQPXANYHAL-CQSZACIVSA-N 1 0 338.314 4.446 10 0 EIAERO CCN[C@H](CC[N@H+](CC)C(C)C)c1cccc(Br)c1 ZINC000053939210 214206795 /nfs/dbraw/zinc/20/67/95/214206795.db2.gz HOTGIIZGWSXTOO-MRXNPFEDSA-N 1 0 327.310 4.220 10 0 EIAERO CC(C)C[N@H+](CC[C@H](N)c1cccc(Br)c1)C(C)C ZINC000053971877 214208256 /nfs/dbraw/zinc/20/82/56/214208256.db2.gz KIPBPTPSHBEOSA-INIZCTEOSA-N 1 0 327.310 4.205 10 0 EIAERO CC[C@@H]1CCCC[N@@H+]1CC[C@H](O)c1cccc(Br)c1 ZINC000053972683 214208544 /nfs/dbraw/zinc/20/85/44/214208544.db2.gz YUQSIPRHZICDMD-CVEARBPZSA-N 1 0 326.278 4.137 10 0 EIAERO CCC(CC)(C[NH2+]CCOC)Cc1cc(Br)cs1 ZINC000054659032 214248901 /nfs/dbraw/zinc/24/89/01/214248901.db2.gz FWKKGVGEOGWMND-UHFFFAOYSA-N 1 0 334.323 4.096 10 0 EIAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000055385716 214315644 /nfs/dbraw/zinc/31/56/44/214315644.db2.gz YZSQXZYSESRPTJ-CQSZACIVSA-N 1 0 328.294 4.287 10 0 EIAERO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1cnc2ccccc2c1 ZINC000055392899 214316429 /nfs/dbraw/zinc/31/64/29/214316429.db2.gz VEWBOEWLHCTDNP-SFHVURJKSA-N 1 0 326.465 4.069 10 0 EIAERO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1ccc(OC)c(COC)c1 ZINC000055575261 214330514 /nfs/dbraw/zinc/33/05/14/214330514.db2.gz RJOYMHDBFHNNEG-INIZCTEOSA-N 1 0 328.456 4.037 10 0 EIAERO C[NH2+][C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)OC(=O)[C@@]54CC[C@@H]32)C1 ZINC000004098878 210119622 /nfs/dbraw/zinc/11/96/22/210119622.db2.gz RSFPISDAJMWREU-CDFICMNGSA-N 1 0 343.511 4.079 10 0 biogenic,in-vitro EIAERO C[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1Br)c1cccs1 ZINC000043107793 213562268 /nfs/dbraw/zinc/56/22/68/213562268.db2.gz UFZZNBUUEMBHGE-OQPBUACISA-N 1 0 330.222 4.117 10 0 EIAERO CCCC(C[NH3+])(CCC)N(C)Cc1ccc(Br)cc1 ZINC000103983004 219336059 /nfs/dbraw/zinc/33/60/59/219336059.db2.gz KCLZQUPQCKGBBB-UHFFFAOYSA-N 1 0 327.310 4.179 10 0 EIAERO CC[NH2+]CC(CC)(CC)CN(C)Cc1cc(Br)cs1 ZINC000103997413 219337360 /nfs/dbraw/zinc/33/73/60/219337360.db2.gz XOMCRIBPZXQGLQ-UHFFFAOYSA-N 1 0 347.366 4.358 10 0 EIAERO CC(C)[NH2+]C[C@@H](CCOc1cccc(Br)c1)C(C)C ZINC000104015875 219339546 /nfs/dbraw/zinc/33/95/46/219339546.db2.gz DJWWTASGDSWALR-CQSZACIVSA-N 1 0 328.294 4.488 10 0 EIAERO CN(CC(C)(C)C)c1cc(Br)ccc1C[NH2+]C1CC1 ZINC000104160289 219354410 /nfs/dbraw/zinc/35/44/10/219354410.db2.gz WADVSRLUPOLBAM-UHFFFAOYSA-N 1 0 325.294 4.183 10 0 EIAERO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000068592765 215321496 /nfs/dbraw/zinc/32/14/96/215321496.db2.gz UWLUEWFMYQFHBU-LISAXSMJSA-N 1 0 332.488 4.056 10 0 EIAERO CCN(Cc1cccs1)c1cc(Br)ccc1CC[NH3+] ZINC000104267176 219368696 /nfs/dbraw/zinc/36/86/96/219368696.db2.gz WUTMJJYERQFYLS-UHFFFAOYSA-N 1 0 339.302 4.038 10 0 EIAERO C[NH2+][C@H](c1sccc1Br)c1ccc2c(c1)CCCO2 ZINC000104294015 219371976 /nfs/dbraw/zinc/37/19/76/219371976.db2.gz YUVCOHNIAVFSKZ-AWEZNQCLSA-N 1 0 338.270 4.144 10 0 EIAERO CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OC(C)C ZINC000040729046 213377291 /nfs/dbraw/zinc/37/72/91/213377291.db2.gz VMTAPVFUCMYZCF-UHFFFAOYSA-N 1 0 344.293 4.381 10 0 EIAERO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OC(C)C ZINC000040721134 213374917 /nfs/dbraw/zinc/37/49/17/213374917.db2.gz RXTRLVPVZMYRQA-UHFFFAOYSA-N 1 0 330.266 4.133 10 0 EIAERO C[NH+](C)CCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccco1 ZINC000040404064 213298815 /nfs/dbraw/zinc/29/88/15/213298815.db2.gz KNIKVJOGIIAZRN-UHFFFAOYSA-N 1 0 337.345 4.267 10 0 EIAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000038014005 213190477 /nfs/dbraw/zinc/19/04/77/213190477.db2.gz YPPWZCWCNSIABS-ABAIWWIYSA-N 1 0 331.287 4.339 10 0 EIAERO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000038012591 213188464 /nfs/dbraw/zinc/18/84/64/213188464.db2.gz UVPZIPWSUPLBES-ZDUSSCGKSA-N 1 0 347.256 4.047 10 0 EIAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038003292 213187046 /nfs/dbraw/zinc/18/70/46/213187046.db2.gz BKGFWUXOOBFZGX-NWDGAFQWSA-N 1 0 333.339 4.138 10 0 EIAERO Cc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1C[NH2+]C(C)C ZINC000038001540 213185772 /nfs/dbraw/zinc/18/57/72/213185772.db2.gz QHHMTXNOYPYHIP-UHFFFAOYSA-N 1 0 328.243 4.326 10 0 EIAERO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc(Br)c1 ZINC000037984620 213184256 /nfs/dbraw/zinc/18/42/56/213184256.db2.gz UQJFVYXOGAJJNK-CYBMUJFWSA-N 1 0 326.278 4.185 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccccc2Cl)c(Br)c1 ZINC000037444841 213147948 /nfs/dbraw/zinc/14/79/48/213147948.db2.gz IWXGPNJCJRPRCY-AWEZNQCLSA-N 1 0 326.621 4.159 10 0 EIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)cc1Br ZINC000037445162 213148198 /nfs/dbraw/zinc/14/81/98/213148198.db2.gz CQBDXSVWSVKVLT-AWEZNQCLSA-N 1 0 326.259 4.136 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)cc2Cl)cc1C ZINC000037365960 213141676 /nfs/dbraw/zinc/14/16/76/213141676.db2.gz UJBNOUMAYFYYRQ-OAHLLOKOSA-N 1 0 340.648 4.468 10 0 EIAERO NC(=[NH2+])c1ccc(CSc2ccccc2Br)c(F)c1 ZINC000036962205 213127577 /nfs/dbraw/zinc/12/75/77/213127577.db2.gz BXLRASAEOYACFS-UHFFFAOYSA-N 1 0 339.233 4.165 10 0 EIAERO CCC[NH2+][C@H](C)c1cc(OCC)c(OCC)cc1Br ZINC000035584554 213040671 /nfs/dbraw/zinc/04/06/71/213040671.db2.gz OLQQBLYBMPJCTP-LLVKDONJSA-N 1 0 330.266 4.307 10 0 EIAERO CCC[NH2+][C@@H](C)c1cc(OCC)c(OCC)cc1Br ZINC000035584553 213040479 /nfs/dbraw/zinc/04/04/79/213040479.db2.gz OLQQBLYBMPJCTP-NSHDSACASA-N 1 0 330.266 4.307 10 0 EIAERO CCC[NH2+][C@H](CC(F)(F)F)c1cc(Br)ccc1OC ZINC000035572714 213038758 /nfs/dbraw/zinc/03/87/58/213038758.db2.gz NMCXWLWLUBZAAL-LLVKDONJSA-N 1 0 340.183 4.451 10 0 EIAERO CC[NH2+][C@H](c1ccsc1)c1cc(Br)ccc1OC ZINC000035508731 213033304 /nfs/dbraw/zinc/03/33/04/213033304.db2.gz WGQJSKFLDBURNW-CQSZACIVSA-N 1 0 326.259 4.218 10 0 EIAERO C[C@H]([NH3+])c1ccccc1Oc1ccccc1I ZINC000035454570 213028243 /nfs/dbraw/zinc/02/82/43/213028243.db2.gz BRGORJXRKBJURL-JTQLQIEISA-N 1 0 339.176 4.103 10 0 EIAERO C[NH2+][C@@H](c1ccccc1Cl)c1cc(Br)ccc1OC ZINC000035456110 213029850 /nfs/dbraw/zinc/02/98/50/213029850.db2.gz UFGNXIYEAZDOHQ-HNNXBMFYSA-N 1 0 340.648 4.420 10 0 EIAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1cc2c(s1)CCC2 ZINC000035381713 213024625 /nfs/dbraw/zinc/02/46/25/213024625.db2.gz DFYVSDKZZVFHEQ-OAHLLOKOSA-N 1 0 338.270 4.056 10 0 EIAERO CC[NH2+][C@H](c1cccc(Br)c1)c1cc(F)ccc1F ZINC000035543552 213037531 /nfs/dbraw/zinc/03/75/31/213037531.db2.gz YGFDCWDTUKJSQZ-OAHLLOKOSA-N 1 0 326.184 4.426 10 0 EIAERO [NH3+][C@H](c1ccc(Br)cc1)c1ccc(OC(F)F)cc1 ZINC000037308785 213139260 /nfs/dbraw/zinc/13/92/60/213139260.db2.gz RINNVTSNUVNFDL-CYBMUJFWSA-N 1 0 328.156 4.099 10 0 EIAERO CCC[NH+]1CCC(Nc2ccc(Br)cc2Cl)CC1 ZINC000037392343 213143595 /nfs/dbraw/zinc/14/35/95/213143595.db2.gz JVLZGDBTTYGYSK-UHFFFAOYSA-N 1 0 331.685 4.389 10 0 EIAERO CCC[NH+]1CCC(Nc2c(C)cc(Br)cc2C)CC1 ZINC000037772352 213166174 /nfs/dbraw/zinc/16/61/74/213166174.db2.gz PCQODERAZBILRZ-UHFFFAOYSA-N 1 0 325.294 4.352 10 0 EIAERO CCN1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000022936776 212337735 /nfs/dbraw/zinc/33/77/35/212337735.db2.gz MXRDXGZCYUATPP-NRFANRHFSA-N 1 0 338.495 4.148 10 0 EIAERO CSc1ccc2c(c1)[C@@H](N1CC[NH+](C)CC1)Cc1ccccc1O2 ZINC000022041705 212272781 /nfs/dbraw/zinc/27/27/81/212272781.db2.gz RGHAMXHLLRFJMA-SFHVURJKSA-N 1 0 340.492 4.045 10 0 EIAERO CCCOc1ccc2ccccc2c1C[NH2+]C[C@H](O)c1ccccc1 ZINC000020930702 212189693 /nfs/dbraw/zinc/18/96/93/212189693.db2.gz BKLIKFDLNFZLCQ-NRFANRHFSA-N 1 0 335.447 4.452 10 0 EIAERO Cc1ccc(COc2cccc(C[NH2+]C[C@H](O)c3ccccc3)c2)cc1 ZINC000020874502 212180318 /nfs/dbraw/zinc/18/03/18/212180318.db2.gz INLDKVUWDRNDTI-QHCPKHFHSA-N 1 0 347.458 4.397 10 0 EIAERO [NH3+][C@@H](c1cc(Br)ccc1Br)C1CCCC1 ZINC000019969162 212091493 /nfs/dbraw/zinc/09/14/93/212091493.db2.gz TTXWOKIEDXNKEZ-GFCCVEGCSA-N 1 0 333.067 4.402 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1ccccc1C ZINC000019967856 212091157 /nfs/dbraw/zinc/09/11/57/212091157.db2.gz VLMOVAFUQFJFGZ-AWEZNQCLSA-N 1 0 340.648 4.468 10 0 EIAERO CC(C)[NH+](CCN[C@@H](C)c1ccc(Br)cc1)C(C)C ZINC000019901001 212081220 /nfs/dbraw/zinc/08/12/20/212081220.db2.gz WFOSFPYUZASILN-AWEZNQCLSA-N 1 0 327.310 4.219 10 0 EIAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019803586 212069658 /nfs/dbraw/zinc/06/96/58/212069658.db2.gz QCZXTSNMSPWENX-ZDUSSCGKSA-N 1 0 339.302 4.345 10 0 EIAERO NC(=[NH2+])c1ccc(Oc2ccc3cc(Br)ccc3c2)nc1 ZINC000019508042 212035539 /nfs/dbraw/zinc/03/55/39/212035539.db2.gz DZCBJCHGTQJYFK-UHFFFAOYSA-N 1 0 342.196 4.074 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)c1ccsc1 ZINC000049599350 214021417 /nfs/dbraw/zinc/02/14/17/214021417.db2.gz UTYQRCGUNKFDGL-ZDUSSCGKSA-N 1 0 326.259 4.022 10 0 EIAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccc(OC)c(Br)c1 ZINC000049597050 214021760 /nfs/dbraw/zinc/02/17/60/214021760.db2.gz MOHHDJPINRYSJR-TZMCWYRMSA-N 1 0 328.294 4.415 10 0 EIAERO CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(OC)cc1)[C@@H]2[NH3+] ZINC000011849243 211257183 /nfs/dbraw/zinc/25/71/83/211257183.db2.gz DEXGTLNAPMYXGF-RBUKOAKNSA-N 1 0 327.424 4.049 10 0 EIAERO Cc1ccccc1Cn1c2ccccc2nc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000095090273 218280301 /nfs/dbraw/zinc/28/03/01/218280301.db2.gz DMPGIZHRQPDNNA-QZTJIDSGSA-N 1 0 334.467 4.075 10 0 EIAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000238852417 258001157 /nfs/dbraw/zinc/00/11/57/258001157.db2.gz FWBIWXGKOUKNHP-CVYDXHPNSA-N 1 0 332.488 4.199 10 0 EIAERO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C[C@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238854648 258001161 /nfs/dbraw/zinc/00/11/61/258001161.db2.gz ORBLPFKGRVVFDQ-NBOOPKSLSA-N 1 0 332.488 4.199 10 0 EIAERO Cc1c(C[NH2+]C[C@H](C)O)c2ccccc2n1Cc1ccccc1Cl ZINC000010315552 563646753 /nfs/dbraw/zinc/64/67/53/563646753.db2.gz UOQBTLFMEPFNGU-AWEZNQCLSA-N 1 0 342.870 4.122 10 0 EIAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013726823 563718716 /nfs/dbraw/zinc/71/87/16/563718716.db2.gz LXLDRVJJYKPLEY-QGZVFWFLSA-N 1 0 333.435 4.380 10 0 EIAERO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCCN2CCCC2=O)o1 ZINC000013727902 563719127 /nfs/dbraw/zinc/71/91/27/563719127.db2.gz ABDMLQWXDBGFEF-UHFFFAOYSA-N 1 0 346.858 4.011 10 0 EIAERO CCOc1ccc(NC(=O)N2CCC([N@H+](C)CCC(C)C)CC2)cc1 ZINC000000261544 563989685 /nfs/dbraw/zinc/98/96/85/563989685.db2.gz ICMVRLRSJIETDK-UHFFFAOYSA-N 1 0 347.503 4.060 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000675052438 564052419 /nfs/dbraw/zinc/05/24/19/564052419.db2.gz AJBWUPFOFJRINF-RISCZKNCSA-N 1 0 345.270 4.393 10 0 EIAERO CCc1ccc(O[C@@H](C[NH3+])C(F)(F)C(F)(F)F)c(C(C)(C)C)c1 ZINC000616571622 564177351 /nfs/dbraw/zinc/17/73/51/564177351.db2.gz ZOEIPGBBKSMVGP-ZDUSSCGKSA-N 1 0 339.348 4.450 10 0 EIAERO C[C@H](CCc1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000056491489 1032085818 /nfs/dbraw/zinc/08/58/18/1032085818.db2.gz FTHXWHNRANAFOG-LJQANCHMSA-N 1 0 342.527 4.122 10 0 EIAERO O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000107589491 1031282396 /nfs/dbraw/zinc/28/23/96/1031282396.db2.gz YGDNWWUMNAJBBN-YADHBBJMSA-N 1 0 348.490 4.030 10 0 EIAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000128140460 1031727530 /nfs/dbraw/zinc/72/75/30/1031727530.db2.gz QEAJSAQLWMZRFP-QGZVFWFLSA-N 1 0 339.483 4.027 10 0 EIAERO CCOc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)n3)CC2)cc1 ZINC000128235411 1031729376 /nfs/dbraw/zinc/72/93/76/1031729376.db2.gz BMYHAUPIEDGHLJ-KRWDZBQOSA-N 1 0 339.483 4.108 10 0 EIAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000093564448 1039716741 /nfs/dbraw/zinc/71/67/41/1039716741.db2.gz CVEIFBLXJBNGGP-HNAYVOBHSA-N 1 0 338.451 4.032 10 0 EIAERO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NCc3nc(C(C)(C)C)no3)c2C1 ZINC000075825981 1045850553 /nfs/dbraw/zinc/85/05/53/1045850553.db2.gz MXYCRHVVPDRLKI-CQSZACIVSA-N 1 0 342.487 4.339 10 0 EIAERO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NCc3nc(C(C)(C)C)no3)c2C1 ZINC000075825983 1045851337 /nfs/dbraw/zinc/85/13/37/1045851337.db2.gz MXYCRHVVPDRLKI-AWEZNQCLSA-N 1 0 342.487 4.339 10 0 EIAERO CC(C)(C)C1CCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000050345809 214053476 /nfs/dbraw/zinc/05/34/76/214053476.db2.gz CUBATMPFTNHIRN-ZDUSSCGKSA-N 1 0 345.350 4.269 10 0 EIAERO [NH3+]C[C@@H](Cc1sccc1Br)Cc1ccccc1F ZINC000052948462 214156172 /nfs/dbraw/zinc/15/61/72/214156172.db2.gz REJCLFVUOZDCSJ-SNVBAGLBSA-N 1 0 328.250 4.010 10 0 EIAERO C[C@H](C[NH2+]C1CCCCC1)Oc1ccc(Br)cc1F ZINC000053586189 214189661 /nfs/dbraw/zinc/18/96/61/214189661.db2.gz DZDSVIYUUMSPEX-LLVKDONJSA-N 1 0 330.241 4.278 10 0 EIAERO C[NH2+][C@@H](Cc1cc(Br)cs1)c1ccc(C)c(F)c1 ZINC000053827067 214201268 /nfs/dbraw/zinc/20/12/68/214201268.db2.gz VGFXIUKLORGLJC-AWEZNQCLSA-N 1 0 328.250 4.461 10 0 EIAERO C[NH2+][C@H](Cc1ccc(Br)s1)c1ccc(C)c(F)c1 ZINC000053827003 214201581 /nfs/dbraw/zinc/20/15/81/214201581.db2.gz CVHLPOHPZUOSGZ-CYBMUJFWSA-N 1 0 328.250 4.461 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(Br)s1)c1ccccc1OC ZINC000053788213 214199148 /nfs/dbraw/zinc/19/91/48/214199148.db2.gz LKCSUABHRDYSBX-LBPRGKRZSA-N 1 0 326.259 4.022 10 0 EIAERO CC[NH2+][C@@H](C)c1cnc(-c2cc(Br)ccc2OC)s1 ZINC000054160312 214220511 /nfs/dbraw/zinc/22/05/11/214220511.db2.gz PJUUDGFTCXSQFT-VIFPVBQESA-N 1 0 341.274 4.252 10 0 EIAERO Cc1ccc(O[C@H](C[NH3+])c2ccc(Br)cc2)c(Cl)c1 ZINC000054349563 214233421 /nfs/dbraw/zinc/23/34/21/214233421.db2.gz OFBBUVCWMOGUBV-OAHLLOKOSA-N 1 0 340.648 4.490 10 0 EIAERO Clc1ccc(Sc2ccc(C[NH2+]CCc3c[nH]cn3)o2)cc1 ZINC000055383517 214314506 /nfs/dbraw/zinc/31/45/06/214314506.db2.gz SRCBECDCADEZFL-UHFFFAOYSA-N 1 0 333.844 4.140 10 0 EIAERO C[NH+](C)CC/C=C(/c1ccc(Br)cc1)c1cccnc1 ZINC000003646554 210070155 /nfs/dbraw/zinc/07/01/55/210070155.db2.gz SDWRRDOPCKSOKJ-FMQZQXMHSA-N 1 0 331.257 4.228 10 0 EIAERO C[NH+](C)CC/C=C(\c1ccc(Br)cc1)c1cccnc1 ZINC000003646551 210070782 /nfs/dbraw/zinc/07/07/82/210070782.db2.gz SDWRRDOPCKSOKJ-UBKPWBPPSA-N 1 0 331.257 4.228 10 0 EIAERO COc1cccc(S[C@H](C[NH3+])c2ccc(Br)cc2)c1 ZINC000042958794 213545606 /nfs/dbraw/zinc/54/56/06/213545606.db2.gz IJONSBCZLDPJTB-OAHLLOKOSA-N 1 0 338.270 4.250 10 0 EIAERO CC(C)C[NH+](CC(C)C)[C@H](CN)c1ccc(Br)s1 ZINC000042291315 213491103 /nfs/dbraw/zinc/49/11/03/213491103.db2.gz VLGQTSKVONBTLT-GFCCVEGCSA-N 1 0 333.339 4.124 10 0 EIAERO CC[NH2+][C@@H](C)[C@@H](CCOc1ccc(Br)cc1)C(C)C ZINC000103941681 219331259 /nfs/dbraw/zinc/33/12/59/219331259.db2.gz ODCXTEOGPWVISN-BBRMVZONSA-N 1 0 328.294 4.488 10 0 EIAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Oc1ccc(F)cc1Br ZINC000104012096 219338727 /nfs/dbraw/zinc/33/87/27/219338727.db2.gz MYFXMYKUFZCSAP-AWEZNQCLSA-N 1 0 332.257 4.380 10 0 EIAERO Cc1cc(Br)cc(Cl)c1OCC[NH2+]C1CCCC1 ZINC000104011246 219339043 /nfs/dbraw/zinc/33/90/43/219339043.db2.gz FOOXRDPXXJLLKN-UHFFFAOYSA-N 1 0 332.669 4.322 10 0 EIAERO Cc1cc(Br)ccc1OCCC[NH2+]C1CCCCC1 ZINC000104011271 219339471 /nfs/dbraw/zinc/33/94/71/219339471.db2.gz BADLJKUROCLXQI-UHFFFAOYSA-N 1 0 326.278 4.449 10 0 EIAERO CC(C)C[C@@H](C)[N@H+](C)CCC(=O)c1cccc(Br)c1 ZINC000104011654 219339530 /nfs/dbraw/zinc/33/95/30/219339530.db2.gz SVBPUDODTACGGN-CYBMUJFWSA-N 1 0 326.278 4.388 10 0 EIAERO CCCC1CC[NH+](CCNc2ccccc2Br)CC1 ZINC000104020263 219339698 /nfs/dbraw/zinc/33/96/98/219339698.db2.gz HYRPYZQJWBFBQJ-UHFFFAOYSA-N 1 0 325.294 4.373 10 0 EIAERO C[C@@H]([NH3+])Cc1ccccc1N(C)Cc1cc(Br)cs1 ZINC000104271110 219368453 /nfs/dbraw/zinc/36/84/53/219368453.db2.gz DAIQKEKCAGHZKJ-LLVKDONJSA-N 1 0 339.302 4.037 10 0 EIAERO [NH3+]Cc1ccc(Br)cc1Sc1ccc(F)cc1F ZINC000104301775 219372534 /nfs/dbraw/zinc/37/25/34/219372534.db2.gz MAOFEHDXAZVTHK-UHFFFAOYSA-N 1 0 330.197 4.337 10 0 EIAERO CC[C@H]1CCCC[C@H]1Oc1ccc(Br)cc1CC[NH3+] ZINC000104381664 219382814 /nfs/dbraw/zinc/38/28/14/219382814.db2.gz APJZZDWWQXWKOQ-SWLSCSKDSA-N 1 0 326.278 4.298 10 0 EIAERO O[C@@H](c1cc(CCc2ccccc2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000001596780 209764828 /nfs/dbraw/zinc/76/48/28/209764828.db2.gz MQGXTWZXLOJOHA-PKTZIBPZSA-N 1 0 346.474 4.196 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2cc(C)sc2C)cc1Br ZINC000038074042 213200015 /nfs/dbraw/zinc/20/00/15/213200015.db2.gz NCGYKPINKOELPF-CQSZACIVSA-N 1 0 326.259 4.184 10 0 EIAERO CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1ccc(Cl)cc1Cl ZINC000038014008 213189860 /nfs/dbraw/zinc/18/98/60/213189860.db2.gz YPPWZCWCNSIABS-XHDPSFHLSA-N 1 0 331.287 4.339 10 0 EIAERO CSCC[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C(C)C ZINC000037441774 213146572 /nfs/dbraw/zinc/14/65/72/213146572.db2.gz BRWMKLKLISFMAO-LLVKDONJSA-N 1 0 342.306 4.133 10 0 EIAERO C[C@H](NCCC[NH+]1CCC(C)CC1)c1sccc1Br ZINC000037233746 213136046 /nfs/dbraw/zinc/13/60/46/213136046.db2.gz RBCBTFBPRFIDLP-ZDUSSCGKSA-N 1 0 345.350 4.283 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2cc(F)cc(Br)c2)cc1Cl ZINC000037034343 213131094 /nfs/dbraw/zinc/13/10/94/213131094.db2.gz UBGLBFRAPHVUGX-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2Br)c(Cl)c1 ZINC000036767695 213117055 /nfs/dbraw/zinc/11/70/55/213117055.db2.gz ZIXPYWFKFJFIAN-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO CCC[NH2+][C@@H](CCC)c1cc(OC)c(OC)cc1Br ZINC000035582968 213039320 /nfs/dbraw/zinc/03/93/20/213039320.db2.gz FNOZNSCKJIMMCW-ZDUSSCGKSA-N 1 0 330.266 4.307 10 0 EIAERO C[NH2+][C@H](c1cccs1)c1cc(Cl)cc(Br)c1OC ZINC000035458009 213030360 /nfs/dbraw/zinc/03/03/60/213030360.db2.gz KFICJILCTWNNGA-LBPRGKRZSA-N 1 0 346.677 4.481 10 0 EIAERO CCCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1Cl ZINC000020925580 212188549 /nfs/dbraw/zinc/18/85/49/212188549.db2.gz WIMWRSALEOTMSE-UHFFFAOYSA-N 1 0 333.859 4.470 10 0 EIAERO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccc(C)cc1 ZINC000020875106 212180943 /nfs/dbraw/zinc/18/09/43/212180943.db2.gz IAHGTNSENFHXGW-GOSISDBHSA-N 1 0 333.859 4.088 10 0 EIAERO Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C(C)(C)CO)cc1 ZINC000020875090 212179619 /nfs/dbraw/zinc/17/96/19/212179619.db2.gz DUJIQLDEQMSEOY-UHFFFAOYSA-N 1 0 333.859 4.088 10 0 EIAERO COc1ccc([C@H]([NH3+])c2cc(Br)ccc2F)cc1Cl ZINC000020521783 212143650 /nfs/dbraw/zinc/14/36/50/212143650.db2.gz MJSSZCQFJYVQPM-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO [NH3+][C@H](c1cc(Br)ccc1F)c1c(F)cc(F)cc1F ZINC000019971828 212092939 /nfs/dbraw/zinc/09/29/39/212092939.db2.gz FWLFQHRCIRHEGC-CYBMUJFWSA-N 1 0 334.110 4.054 10 0 EIAERO [NH3+][C@@H](c1ccc(Br)cc1F)c1c(F)cc(F)cc1F ZINC000019971831 212092130 /nfs/dbraw/zinc/09/21/30/212092130.db2.gz AGRFULGBPQYCOZ-ZDUSSCGKSA-N 1 0 334.110 4.054 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1cccc(F)c1 ZINC000019967874 212091313 /nfs/dbraw/zinc/09/13/13/212091313.db2.gz QJWOBWOTEOERNM-ZDUSSCGKSA-N 1 0 344.611 4.298 10 0 EIAERO C[NH2+]Cc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000019777410 212065201 /nfs/dbraw/zinc/06/52/01/212065201.db2.gz LPOUYAJSVNBJRR-UHFFFAOYSA-N 1 0 326.223 4.300 10 0 EIAERO C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000019777236 212065490 /nfs/dbraw/zinc/06/54/90/212065490.db2.gz PBKSENPMRDRXSF-UHFFFAOYSA-N 1 0 340.648 4.401 10 0 EIAERO C[C@H]([NH3+])[C@H](SCc1ccco1)c1ccccc1Br ZINC000043096128 213560160 /nfs/dbraw/zinc/56/01/60/213560160.db2.gz VUGRIGASLXBICT-HZMBPMFUSA-N 1 0 326.259 4.364 10 0 EIAERO CC[NH2+][C@@H](Cc1ccc(F)c(Br)c1)CC(F)(F)F ZINC000049599962 214021900 /nfs/dbraw/zinc/02/19/00/214021900.db2.gz JHHMXYLTAUWSJC-VIFPVBQESA-N 1 0 328.147 4.061 10 0 EIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cccnc1Cl ZINC000014932425 211772717 /nfs/dbraw/zinc/77/27/17/211772717.db2.gz WNOZHHJRXHKFKN-WDEREUQCSA-N 1 0 338.238 4.066 10 0 EIAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccccc1 ZINC000013721583 211619992 /nfs/dbraw/zinc/61/99/92/211619992.db2.gz XEVLPPZTDFKKHK-UHFFFAOYSA-N 1 0 343.467 4.179 10 0 EIAERO CCOc1ccc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1Cl ZINC000010474641 211175500 /nfs/dbraw/zinc/17/55/00/211175500.db2.gz HIIJPHRDLJCTRT-UHFFFAOYSA-N 1 0 349.858 4.088 10 0 EIAERO CC(=O)c1nc2ccccc2n1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095082709 218274584 /nfs/dbraw/zinc/27/45/84/218274584.db2.gz IEVLRJAXOCVAAY-LJQANCHMSA-N 1 0 347.462 4.151 10 0 EIAERO CC(=O)c1nc2ccccc2n1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095082695 218275266 /nfs/dbraw/zinc/27/52/66/218275266.db2.gz DZJAZYJFZDILIV-SFHVURJKSA-N 1 0 333.435 4.076 10 0 EIAERO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1 ZINC000238857009 258001209 /nfs/dbraw/zinc/00/12/09/258001209.db2.gz XQHWJVYZQCZBNX-KYHPRHEASA-N 1 0 332.488 4.056 10 0 EIAERO Cc1ccc(O[C@H](C[NH3+])C(F)(F)C(F)(F)F)c(C(C)(C)C)c1 ZINC000616570860 564177339 /nfs/dbraw/zinc/17/73/39/564177339.db2.gz VGVGGOBSBMAYED-GFCCVEGCSA-N 1 0 325.321 4.196 10 0 EIAERO CCn1cc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccc(C)cc4)c3)C2)cn1 ZINC000065387866 563959399 /nfs/dbraw/zinc/95/93/99/563959399.db2.gz LTVBDDSRNMYSKM-OAQYLSRUSA-N 1 0 346.478 4.263 10 0 EIAERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000101417735 564129490 /nfs/dbraw/zinc/12/94/90/564129490.db2.gz WJXVFKYBSHGCGK-HPFXQQBRSA-N 1 0 332.488 4.199 10 0 EIAERO CC(C)c1noc([C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C2CCOCC2)n1 ZINC000328635720 564137119 /nfs/dbraw/zinc/13/71/19/564137119.db2.gz UXQZEDMNBRUBNE-OKZBNKHCSA-N 1 0 347.503 4.219 10 0 EIAERO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1 ZINC000121317031 1030012324 /nfs/dbraw/zinc/01/23/24/1030012324.db2.gz YUXAGVUGMOHNIQ-NDXORKPFSA-N 1 0 341.474 4.172 10 0 EIAERO O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CCC([NH+]2CCCC2)CC1 ZINC000107589496 1031281923 /nfs/dbraw/zinc/28/19/23/1031281923.db2.gz YGDNWWUMNAJBBN-FCHUYYIVSA-N 1 0 348.490 4.030 10 0 EIAERO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000129108373 1031780628 /nfs/dbraw/zinc/78/06/28/1031780628.db2.gz HARIDRUXVXPYCH-GDBMZVCRSA-N 1 0 342.468 4.182 10 0 EIAERO CCCCCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000084604531 1038796089 /nfs/dbraw/zinc/79/60/89/1038796089.db2.gz FCFUNEDMFUFLCA-HKUYNNGSSA-N 1 0 345.531 4.015 10 0 EIAERO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000092788706 1039590608 /nfs/dbraw/zinc/59/06/08/1039590608.db2.gz MQJNAICYJCDBBQ-INIZCTEOSA-N 1 0 338.480 4.221 10 0 EIAERO CC[N@@H+]1CC[C@@H](N(C)Cc2ncc(-c3ccccc3Cl)o2)[C@H](C)C1 ZINC000081095985 1046907854 /nfs/dbraw/zinc/90/78/54/1046907854.db2.gz ONHTXPWKARMFOC-RHSMWYFYSA-N 1 0 347.890 4.157 10 0 EIAERO C[N@H+](Cc1cc(Br)cs1)Cc1ccc(Cl)cc1N ZINC000050443122 214057022 /nfs/dbraw/zinc/05/70/22/214057022.db2.gz ZIXIOWIFMJNJTK-UHFFFAOYSA-N 1 0 345.693 4.378 10 0 EIAERO COc1ccc(Br)cc1C[C@H]([NH3+])c1ccccc1Cl ZINC000050438784 214057107 /nfs/dbraw/zinc/05/71/07/214057107.db2.gz BQSIMFSOJBDZQI-AWEZNQCLSA-N 1 0 340.648 4.354 10 0 EIAERO [NH3+]Cc1cc(Br)cnc1Oc1ccc(Cl)cc1Cl ZINC000051549633 214096859 /nfs/dbraw/zinc/09/68/59/214096859.db2.gz RBXPPTZPKBVXEM-UHFFFAOYSA-N 1 0 348.027 4.402 10 0 EIAERO CC[C@@H]([NH2+]Cc1ccc(I)o1)c1ccccc1 ZINC000051626959 214098635 /nfs/dbraw/zinc/09/86/35/214098635.db2.gz HVAVQJVAOWWUDK-CYBMUJFWSA-N 1 0 341.192 4.125 10 0 EIAERO CC[C@H]([NH2+]Cc1ccc(I)o1)c1ccccc1 ZINC000051626957 214098781 /nfs/dbraw/zinc/09/87/81/214098781.db2.gz HVAVQJVAOWWUDK-ZDUSSCGKSA-N 1 0 341.192 4.125 10 0 EIAERO C[C@@H]([NH3+])[C@H](OCC1CCCCC1)c1cccc(Br)c1 ZINC000052147695 214119892 /nfs/dbraw/zinc/11/98/92/214119892.db2.gz XZLZUKPNCASSJO-WBMJQRKESA-N 1 0 326.278 4.434 10 0 EIAERO C[NH2+]C[C@H](Cc1ccc(Br)s1)Cc1ccccc1F ZINC000052979039 214159201 /nfs/dbraw/zinc/15/92/01/214159201.db2.gz VCJXNSGMOOLXMC-NSHDSACASA-N 1 0 342.277 4.271 10 0 EIAERO CC1CCC([NH2+]CCN(C)Cc2cc(Br)cs2)CC1 ZINC000053429340 214182540 /nfs/dbraw/zinc/18/25/40/214182540.db2.gz ZLXWFVKHINWHEI-UHFFFAOYSA-N 1 0 345.350 4.111 10 0 EIAERO CCC(C)(C)[NH2+]C[C@H](C)N(C)Cc1ccccc1Br ZINC000053496964 214186103 /nfs/dbraw/zinc/18/61/03/214186103.db2.gz TWDYKODQBPRNLW-ZDUSSCGKSA-N 1 0 327.310 4.048 10 0 EIAERO [NH3+][C@H](Cc1cccc(Br)c1)Cc1ccc(F)cc1Cl ZINC000053819133 214200829 /nfs/dbraw/zinc/20/08/29/214200829.db2.gz WTHNAZAZJGLPLZ-CQSZACIVSA-N 1 0 342.639 4.354 10 0 EIAERO CC(C)(C)[NH2+]C[C@@H]1CCCN(Cc2ccc(Br)s2)C1 ZINC000053656961 214193077 /nfs/dbraw/zinc/19/30/77/214193077.db2.gz JERIVKWUYVEDKT-LBPRGKRZSA-N 1 0 345.350 4.111 10 0 EIAERO C[C@@]([NH3+])(Cc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000053755218 214196161 /nfs/dbraw/zinc/19/61/61/214196161.db2.gz QUODAOGXYFTSLS-OAHLLOKOSA-N 1 0 326.184 4.144 10 0 EIAERO C[C@@H]([N@H+](C)CCC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000053935738 214206523 /nfs/dbraw/zinc/20/65/23/214206523.db2.gz PGQHSRVUFFVPFZ-GFCCVEGCSA-N 1 0 326.278 4.388 10 0 EIAERO [NH3+]CCCCCc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000053994580 214209697 /nfs/dbraw/zinc/20/96/97/214209697.db2.gz JWNGLCMTTMBGLH-UHFFFAOYSA-N 1 0 327.859 4.410 10 0 EIAERO [NH3+][C@H](Cc1ccc(F)c(Br)c1)c1ccc(Cl)cc1 ZINC000049598916 214020983 /nfs/dbraw/zinc/02/09/83/214020983.db2.gz RFDFAHJBVPTVIR-CQSZACIVSA-N 1 0 328.612 4.484 10 0 EIAERO C[NH+]1CCC([C@H]2Cc3ccccc3[C@]2(O)c2ccc(Cl)cc2)CC1 ZINC000003621362 210066937 /nfs/dbraw/zinc/06/69/37/210066937.db2.gz HIVJZCBYCPLYFE-NHCUHLMSSA-N 1 0 341.882 4.090 10 0 EIAERO [NH3+]C[C@H](Sc1ccccc1Br)c1ccc(F)cc1 ZINC000042943613 213542788 /nfs/dbraw/zinc/54/27/88/213542788.db2.gz INLRUZQWPNFULO-AWEZNQCLSA-N 1 0 326.234 4.380 10 0 EIAERO C[N@H+](CCNc1ccccc1Br)CC1CCCCC1 ZINC000104010972 219338752 /nfs/dbraw/zinc/33/87/52/219338752.db2.gz COHAHOIYQLAXQX-UHFFFAOYSA-N 1 0 325.294 4.373 10 0 EIAERO C[C@H]1CCCC[C@@H]1[N@H+](C)CCOc1cccc(Br)c1 ZINC000103973469 219335469 /nfs/dbraw/zinc/33/54/69/219335469.db2.gz KVVYBHARXFPSLB-BBRMVZONSA-N 1 0 326.278 4.338 10 0 EIAERO CCC[NH2+][C@H](CCCOc1ccc(Br)cc1)C1CC1 ZINC000104054769 219341967 /nfs/dbraw/zinc/34/19/67/219341967.db2.gz AFPVEOZWCMIRCT-MRXNPFEDSA-N 1 0 326.278 4.386 10 0 EIAERO C[NH2+]Cc1ccc(Br)cc1N(C)C1CCC(C)CC1 ZINC000104156574 219354486 /nfs/dbraw/zinc/35/44/86/219354486.db2.gz LJZDQIDSGRVRAI-UHFFFAOYSA-N 1 0 325.294 4.183 10 0 EIAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592734 215321458 /nfs/dbraw/zinc/32/14/58/215321458.db2.gz ORBLPFKGRVVFDQ-XLMAVXFVSA-N 1 0 332.488 4.199 10 0 EIAERO C[C@H](c1cccs1)N(C)c1cc(Br)ccc1CC[NH3+] ZINC000104278155 219369689 /nfs/dbraw/zinc/36/96/89/219369689.db2.gz UAPWKJWYDKUVNN-LLVKDONJSA-N 1 0 339.302 4.209 10 0 EIAERO C[NH2+][C@@H](c1sccc1Br)c1ccc(OC)c(Cl)c1 ZINC000104301236 219372496 /nfs/dbraw/zinc/37/24/96/219372496.db2.gz TXYPSXKMIANPFI-GFCCVEGCSA-N 1 0 346.677 4.481 10 0 EIAERO CC[NH+](CC)CCCn1c(COc2ccccc2)nc2ccccc21 ZINC000040389533 213296350 /nfs/dbraw/zinc/29/63/50/213296350.db2.gz UYSZPWDVDCISKD-UHFFFAOYSA-N 1 0 337.467 4.347 10 0 EIAERO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)c(Br)c1 ZINC000038029100 213192224 /nfs/dbraw/zinc/19/22/24/213192224.db2.gz ILAPQAHIWMCHND-QWHCGFSZSA-N 1 0 343.284 4.113 10 0 EIAERO [NH3+][C@@H](Cc1nc(-c2ccc(Br)s2)c[nH]1)c1ccccc1 ZINC000038002390 213186773 /nfs/dbraw/zinc/18/67/73/213186773.db2.gz DEMJQWGQLKZGEH-NSHDSACASA-N 1 0 348.269 4.143 10 0 EIAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(Br)cc1 ZINC000038009309 213188534 /nfs/dbraw/zinc/18/85/34/213188534.db2.gz ZGNSYDGIACKUSG-WBMJQRKESA-N 1 0 332.241 4.103 10 0 EIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)cc1Br ZINC000037445520 213147981 /nfs/dbraw/zinc/14/79/81/213147981.db2.gz UXCXPSMWSPJVQH-GFCCVEGCSA-N 1 0 340.183 4.451 10 0 EIAERO COc1ccc([C@H]([NH3+])c2cccc(Br)c2)c(Cl)c1 ZINC000036767911 213117498 /nfs/dbraw/zinc/11/74/98/213117498.db2.gz MRISKQFNJONNQU-CQSZACIVSA-N 1 0 326.621 4.159 10 0 EIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)c(Br)c1 ZINC000035572587 213038717 /nfs/dbraw/zinc/03/87/17/213038717.db2.gz ZJLLKRKXOLBPMZ-LLVKDONJSA-N 1 0 340.183 4.451 10 0 EIAERO C[C@@H]([NH3+])c1ccc(Oc2ccccc2I)cc1 ZINC000035454553 213029034 /nfs/dbraw/zinc/02/90/34/213029034.db2.gz WAPHKJFQFCGTQJ-SNVBAGLBSA-N 1 0 339.176 4.103 10 0 EIAERO CC(C)Oc1ccc([C@@H]([NH3+])c2ccc(Br)s2)cc1 ZINC000035081732 213007292 /nfs/dbraw/zinc/00/72/92/213007292.db2.gz RUMXCKOZXGDAJV-CQSZACIVSA-N 1 0 326.259 4.346 10 0 EIAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)c1ccc(Br)cc1 ZINC000034940454 213001996 /nfs/dbraw/zinc/00/19/96/213001996.db2.gz JYXOZIFRBZOVDH-INIZCTEOSA-N 1 0 327.225 4.240 10 0 EIAERO Clc1ccc(CCN2CCC[C@@H]([NH+]3CCCC3)C2)cc1Cl ZINC000022444469 212298436 /nfs/dbraw/zinc/29/84/36/212298436.db2.gz XZHUMOZFKIRLFW-OAHLLOKOSA-N 1 0 327.299 4.096 10 0 EIAERO COc1ccc(CC[NH2+]Cc2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000020928452 212188582 /nfs/dbraw/zinc/18/85/82/212188582.db2.gz VONMPMDDFSWLNZ-UHFFFAOYSA-N 1 0 340.250 4.343 10 0 EIAERO CCOc1c(C[NH2+]CCc2ccc(F)cc2)cc(Cl)cc1OC ZINC000020476766 212135919 /nfs/dbraw/zinc/13/59/19/212135919.db2.gz PFZPMVSBBXXBSY-UHFFFAOYSA-N 1 0 337.822 4.219 10 0 EIAERO [NH3+][C@@H](c1ccc(F)cc1Br)c1c(F)cc(F)cc1F ZINC000019971689 212092786 /nfs/dbraw/zinc/09/27/86/212092786.db2.gz FWLCXFAIWMQQIW-ZDUSSCGKSA-N 1 0 334.110 4.054 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1ccccc1F ZINC000019967880 212091887 /nfs/dbraw/zinc/09/18/87/212091887.db2.gz LDFMYEIPLRPGTB-ZDUSSCGKSA-N 1 0 344.611 4.298 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1cccc(F)c1 ZINC000019967875 212091663 /nfs/dbraw/zinc/09/16/63/212091663.db2.gz QJWOBWOTEOERNM-CYBMUJFWSA-N 1 0 344.611 4.298 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1ccccc1C ZINC000019967857 212091377 /nfs/dbraw/zinc/09/13/77/212091377.db2.gz VLMOVAFUQFJFGZ-CQSZACIVSA-N 1 0 340.648 4.468 10 0 EIAERO CC[NH+](CC)CCN[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000019919552 212083662 /nfs/dbraw/zinc/08/36/62/212083662.db2.gz ORSOSLZAMAJYMM-GFCCVEGCSA-N 1 0 339.277 4.188 10 0 EIAERO [NH3+][C@@H]1CN(Cc2ccccc2Cl)c2ccc(Br)cc21 ZINC000019795883 212069304 /nfs/dbraw/zinc/06/93/04/212069304.db2.gz UPDCXKGROLIAOY-CQSZACIVSA-N 1 0 337.648 4.123 10 0 EIAERO CC[C@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccccc1Br ZINC000043094674 213559550 /nfs/dbraw/zinc/55/95/50/213559550.db2.gz IVJLTLPUTUSJPV-RCBQFDQVSA-N 1 0 326.278 4.434 10 0 EIAERO CCOc1cc(C[NH3+])ccc1Oc1cc(-c2ccccc2)nc(C)n1 ZINC000011849532 211257332 /nfs/dbraw/zinc/25/73/32/211257332.db2.gz BNMHMTWEBSWEPT-UHFFFAOYSA-N 1 0 335.407 4.102 10 0 EIAERO CCOc1ccc(C[NH2+]Cc2cccs2)cc1Br ZINC000010474537 211175865 /nfs/dbraw/zinc/17/58/65/211175865.db2.gz NFHPNMQMMIYEBO-UHFFFAOYSA-N 1 0 326.259 4.199 10 0 EIAERO CC[C@@H](C[N@H+](C)Cc1ccccc1)n1c2ccccc2nc1C(C)=O ZINC000095089598 218279436 /nfs/dbraw/zinc/27/94/36/218279436.db2.gz JPDXCPKRVAVSDA-SFHVURJKSA-N 1 0 335.451 4.322 10 0 EIAERO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238857082 258001232 /nfs/dbraw/zinc/00/12/32/258001232.db2.gz YASBDTKCNDHYRQ-MUDKKEKZSA-N 1 0 346.515 4.445 10 0 EIAERO CC[NH2+]Cc1ccc(Br)cc1N1CCCC[C@H]1CC ZINC000034824747 535478766 /nfs/dbraw/zinc/47/87/66/535478766.db2.gz PHSCGNWHEZZDBC-OAHLLOKOSA-N 1 0 325.294 4.328 10 0 EIAERO CCOc1cc(C[NH2+]CCc2ccccc2OC)cc(Cl)c1OC ZINC000013719014 563715657 /nfs/dbraw/zinc/71/56/57/563715657.db2.gz UAWYJXQSAAVOLW-UHFFFAOYSA-N 1 0 349.858 4.088 10 0 EIAERO CCCCOCCC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000013719877 563716068 /nfs/dbraw/zinc/71/60/68/563716068.db2.gz UQOSAECUIZVNEL-UHFFFAOYSA-N 1 0 329.868 4.044 10 0 EIAERO OCCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013726948 563718748 /nfs/dbraw/zinc/71/87/48/563718748.db2.gz WGKZUWZRDNSFLC-UHFFFAOYSA-N 1 0 333.859 4.171 10 0 EIAERO CC[NH2+]Cc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000034659557 564050285 /nfs/dbraw/zinc/05/02/85/564050285.db2.gz GVLYGDWWXOKVMF-UHFFFAOYSA-N 1 0 334.257 4.446 10 0 EIAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@H](c2cccc(Cl)c2Cl)C1 ZINC000675053536 564080184 /nfs/dbraw/zinc/08/01/84/564080184.db2.gz IXGZMADPYWQMGL-GWCFXTLKSA-N 1 0 345.270 4.311 10 0 EIAERO COC(=O)c1oc([C@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)cc1C ZINC000121290043 1032614450 /nfs/dbraw/zinc/61/44/50/1032614450.db2.gz NOGYACOLWPKMKC-ZDUSSCGKSA-N 1 0 348.468 4.080 10 0 EIAERO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(Br)cc1 ZINC000088164239 1022550241 /nfs/dbraw/zinc/55/02/41/1022550241.db2.gz FZVDUDLMWFEPMS-RJCAOGMDSA-N 1 0 337.305 4.115 10 0 EIAERO CC[C@@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1ccc(OC)cc1 ZINC000128137742 1031728253 /nfs/dbraw/zinc/72/82/53/1031728253.db2.gz ZSQKBLOMGVJXPC-HXUWFJFHSA-N 1 0 339.483 4.108 10 0 EIAERO Cc1ncccc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387302 1039691034 /nfs/dbraw/zinc/69/10/34/1039691034.db2.gz MCIBVENXKIOPGT-IBGZPJMESA-N 1 0 332.451 4.160 10 0 EIAERO CN(Cc1csc(Br)c1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000051256938 214085413 /nfs/dbraw/zinc/08/54/13/214085413.db2.gz JRSQQLXYGQQIGV-UHFFFAOYSA-N 1 0 347.366 4.357 10 0 EIAERO CC(C)[NH2+]Cc1cc(Br)cnc1OC1CCCCC1 ZINC000051523079 214097650 /nfs/dbraw/zinc/09/76/50/214097650.db2.gz FJHKTULXRGTOBC-UHFFFAOYSA-N 1 0 327.266 4.054 10 0 EIAERO C[C@@H]([NH3+])[C@@H](OCC1CCCCC1)c1ccccc1Br ZINC000052147778 214118975 /nfs/dbraw/zinc/11/89/75/214118975.db2.gz VKARLICBCRWQEB-MLGOLLRUSA-N 1 0 326.278 4.434 10 0 EIAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)Cc1cc(Br)cs1 ZINC000053429355 214182808 /nfs/dbraw/zinc/18/28/08/214182808.db2.gz YARPULDCEWXYFT-DOMZBBRYSA-N 1 0 345.350 4.111 10 0 EIAERO C[C@H](C[NH2+]C1CCCC1)Oc1ccc(Cl)cc1Br ZINC000053567783 214188492 /nfs/dbraw/zinc/18/84/92/214188492.db2.gz AYIVQZOLZDPNIN-SNVBAGLBSA-N 1 0 332.669 4.402 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(Br)s1)c1ccc(C)c(F)c1 ZINC000053827004 214201704 /nfs/dbraw/zinc/20/17/04/214201704.db2.gz CVHLPOHPZUOSGZ-ZDUSSCGKSA-N 1 0 328.250 4.461 10 0 EIAERO C[N@H+](CC[C@H](N)c1cccc(Br)c1)C1CCCCC1 ZINC000053938396 214205688 /nfs/dbraw/zinc/20/56/88/214205688.db2.gz RHHZUXSZASDARE-INIZCTEOSA-N 1 0 325.294 4.104 10 0 EIAERO C[C@H]([N@H+](C)CCC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000053935736 214205809 /nfs/dbraw/zinc/20/58/09/214205809.db2.gz PGQHSRVUFFVPFZ-LBPRGKRZSA-N 1 0 326.278 4.388 10 0 EIAERO CCCCC[N@H+](C)CC[C@@H](NC)c1ccc(Br)cc1 ZINC000053939585 214206372 /nfs/dbraw/zinc/20/63/72/214206372.db2.gz UQUCKGBWPNAWBH-MRXNPFEDSA-N 1 0 327.310 4.222 10 0 EIAERO CN(CC[C@H]([NH3+])c1ccccc1Br)Cc1ccsc1 ZINC000054017662 214210702 /nfs/dbraw/zinc/21/07/02/214210702.db2.gz ZWBBPRZCHBLPCJ-HNNXBMFYSA-N 1 0 339.302 4.033 10 0 EIAERO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000055271477 214299003 /nfs/dbraw/zinc/29/90/03/214299003.db2.gz KTYOEJWBEOEIDU-NHZBNJEXSA-N 1 0 348.425 4.350 10 0 EIAERO CCC[NH2+][C@@H](Cc1sccc1Br)Cc1ccncc1 ZINC000060709906 214646732 /nfs/dbraw/zinc/64/67/32/214646732.db2.gz HZTYLFXPTHDLRN-CYBMUJFWSA-N 1 0 339.302 4.059 10 0 EIAERO [NH3+][C@@H](Cc1sccc1Br)c1cc(F)c(F)c(F)c1 ZINC000060699202 214645231 /nfs/dbraw/zinc/64/52/31/214645231.db2.gz VWVGSERPYCMRSB-JTQLQIEISA-N 1 0 336.176 4.170 10 0 EIAERO CC[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N1CCC(C)(C)CC1 ZINC000061818405 214679380 /nfs/dbraw/zinc/67/93/80/214679380.db2.gz JVYRHYQIDYVBFF-FZMZJTMJSA-N 1 0 345.350 4.411 10 0 EIAERO C[N@@H+]1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000004098588 210119300 /nfs/dbraw/zinc/11/93/00/210119300.db2.gz OWGJQNXIWMMDTH-COPRSSIGSA-N 1 0 339.479 4.087 10 0 biogenic,in-vitro EIAERO C[NH+]1CCC([C@H]2Cc3ccccc3[C@@]2(O)c2ccc(Cl)cc2)CC1 ZINC000003621357 210067498 /nfs/dbraw/zinc/06/74/98/210067498.db2.gz HIVJZCBYCPLYFE-RTWAWAEBSA-N 1 0 341.882 4.090 10 0 EIAERO C[C@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccc(Br)cc1 ZINC000043105194 213561417 /nfs/dbraw/zinc/56/14/17/213561417.db2.gz OJZQYMUFSAGFCY-NHYWBVRUSA-N 1 0 339.302 4.031 10 0 EIAERO Cc1ccc(O[C@H](c2cccs2)[C@@H](C)[NH3+])c(Br)c1 ZINC000043110349 213561574 /nfs/dbraw/zinc/56/15/74/213561574.db2.gz KEJDQNXSKOUIEJ-YGRLFVJLSA-N 1 0 326.259 4.286 10 0 EIAERO C[C@H]([NH3+])[C@@H](OCc1cccs1)c1cccc(Br)c1 ZINC000043024041 213553940 /nfs/dbraw/zinc/55/39/40/213553940.db2.gz IXLBLGRPADNGAN-IINYFYTJSA-N 1 0 326.259 4.116 10 0 EIAERO C[C@@H]([NH3+])[C@H](SCc1ccco1)c1cccc(Br)c1 ZINC000043024770 213554071 /nfs/dbraw/zinc/55/40/71/213554071.db2.gz JTXRBKUNRBMANW-YGRLFVJLSA-N 1 0 326.259 4.364 10 0 EIAERO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCCCCCC1 ZINC000043020225 213550828 /nfs/dbraw/zinc/55/08/28/213550828.db2.gz WCTUNRRCOMZBKW-CZUORRHYSA-N 1 0 325.294 4.104 10 0 EIAERO Cc1ccc([C@H](C[NH3+])Oc2ccc(Br)cc2Cl)cc1 ZINC000042907133 213541946 /nfs/dbraw/zinc/54/19/46/213541946.db2.gz NCYPJWGBJYLHOL-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO CC[C@@H](CCOc1cccc(Br)c1)C[NH2+]CC(C)C ZINC000104008863 219338188 /nfs/dbraw/zinc/33/81/88/219338188.db2.gz AYCPEABGNXCXPN-AWEZNQCLSA-N 1 0 328.294 4.490 10 0 EIAERO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000068592895 215321145 /nfs/dbraw/zinc/32/11/45/215321145.db2.gz WJXVFKYBSHGCGK-YFHUEUNASA-N 1 0 332.488 4.199 10 0 EIAERO C[C@H]([NH3+])c1cc(Br)ccc1OCCc1cccs1 ZINC000104264813 219367268 /nfs/dbraw/zinc/36/72/68/219367268.db2.gz OPXUSUXQNBUGGW-JTQLQIEISA-N 1 0 326.259 4.152 10 0 EIAERO CCCc1nc2cc(C(F)(F)F)ccc2n1CC[NH+](CC)CC ZINC000040405344 213299270 /nfs/dbraw/zinc/29/92/70/213299270.db2.gz NSRBLRIMHMETJP-UHFFFAOYSA-N 1 0 327.394 4.349 10 0 EIAERO CCCC[NH+](CCCC)CCCn1c(COC)nc2ccccc21 ZINC000040389865 213296663 /nfs/dbraw/zinc/29/66/63/213296663.db2.gz BAGITQBRXJSCAR-UHFFFAOYSA-N 1 0 331.504 4.475 10 0 EIAERO COc1ccc([C@H]([NH3+])c2cc3c(s2)CCC3)c(Br)c1 ZINC000037444889 213148300 /nfs/dbraw/zinc/14/83/00/213148300.db2.gz XKVFCHAVHVXVCQ-HNNXBMFYSA-N 1 0 338.270 4.056 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2cccc(Br)c2)c(Cl)c1 ZINC000036767913 213117526 /nfs/dbraw/zinc/11/75/26/213117526.db2.gz MRISKQFNJONNQU-AWEZNQCLSA-N 1 0 326.621 4.159 10 0 EIAERO C[N@H+]([C@H](CN)c1ccc(Br)s1)C1CCCCCC1 ZINC000036328269 213084827 /nfs/dbraw/zinc/08/48/27/213084827.db2.gz UKGCRYVHHWNNQX-GFCCVEGCSA-N 1 0 331.323 4.165 10 0 EIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000035805150 213048513 /nfs/dbraw/zinc/04/85/13/213048513.db2.gz GWBPRTSJFOIQQW-CQSZACIVSA-N 1 0 336.838 4.313 10 0 EIAERO CC[NH2+][C@H](c1ccc(Br)s1)c1cc(F)ccc1F ZINC000035543420 213038052 /nfs/dbraw/zinc/03/80/52/213038052.db2.gz RJBKCMJIJVLAGD-ZDUSSCGKSA-N 1 0 332.213 4.488 10 0 EIAERO C[C@@H]([NH3+])c1ccccc1Oc1ccccc1I ZINC000035454574 213028699 /nfs/dbraw/zinc/02/86/99/213028699.db2.gz BRGORJXRKBJURL-SNVBAGLBSA-N 1 0 339.176 4.103 10 0 EIAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)c1ccc(Br)s1 ZINC000034940416 213002621 /nfs/dbraw/zinc/00/26/21/213002621.db2.gz KCXKYVDEJSIJNM-LBPRGKRZSA-N 1 0 333.254 4.301 10 0 EIAERO C[NH2+][C@H](c1cccc(Cl)c1)c1ccc(OC)c(Br)c1 ZINC000035455674 213030337 /nfs/dbraw/zinc/03/03/37/213030337.db2.gz DGUFLWYUOPZHPB-OAHLLOKOSA-N 1 0 340.648 4.420 10 0 EIAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC)c(Br)c1 ZINC000035455018 213029757 /nfs/dbraw/zinc/02/97/57/213029757.db2.gz CGAOVFAJOMHODI-ZDUSSCGKSA-N 1 0 326.259 4.136 10 0 EIAERO Cc1nc2ccc(NC(=O)c3ccc([C@H]4CCC[NH2+]4)s3)cc2s1 ZINC000023379895 212372219 /nfs/dbraw/zinc/37/22/19/212372219.db2.gz KTKUUUOQAZLWOR-GFCCVEGCSA-N 1 0 343.477 4.343 10 0 EIAERO c1ccc(C(C[N@@H+]2CC[C@H]3CCCCN3CC2)c2ccccc2)cc1 ZINC000022040974 212273038 /nfs/dbraw/zinc/27/30/38/212273038.db2.gz QNQJCPVHNZVYDS-JOCHJYFZSA-N 1 0 334.507 4.379 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]CCCn2ccnc2)cc1Cl ZINC000020926554 212188977 /nfs/dbraw/zinc/18/89/77/212188977.db2.gz CJBKREMEJWDLNN-UHFFFAOYSA-N 1 0 342.270 4.159 10 0 EIAERO Fc1ccc(C[NH2+]CCc2ccccc2F)c(Br)c1 ZINC000020047663 212098077 /nfs/dbraw/zinc/09/80/77/212098077.db2.gz ZLZDAHJPTFOYKY-UHFFFAOYSA-N 1 0 326.184 4.060 10 0 EIAERO CCN([C@@H](C[NH3+])c1ccccc1Br)C1CCCCC1 ZINC000019805210 212070674 /nfs/dbraw/zinc/07/06/74/212070674.db2.gz VGURZYVUMROJQU-INIZCTEOSA-N 1 0 325.294 4.104 10 0 EIAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000049598973 214021668 /nfs/dbraw/zinc/02/16/68/214021668.db2.gz GKIIHEKINYPNJV-AWEZNQCLSA-N 1 0 328.612 4.484 10 0 EIAERO CSc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc1 ZINC000012458962 211388510 /nfs/dbraw/zinc/38/85/10/211388510.db2.gz TVJJAACZCCLVIZ-QGZVFWFLSA-N 1 0 346.540 4.326 10 0 EIAERO CCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000242687342 258000532 /nfs/dbraw/zinc/00/05/32/258000532.db2.gz UFYNNBDNSGGGEQ-SJLPKXTDSA-N 1 0 332.488 4.154 10 0 EIAERO C[C@H]1[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238855000 258001136 /nfs/dbraw/zinc/00/11/36/258001136.db2.gz QBFXTPLFVTYROG-NBOOPKSLSA-N 1 0 332.488 4.056 10 0 EIAERO Cc1nccn1-c1ccc(N2CCC([NH2+][C@H](C)CC(C)C)CC2)cc1 ZINC000063856282 132806295 /nfs/dbraw/zinc/80/62/95/132806295.db2.gz OBBGOLHNUNKSPM-QGZVFWFLSA-N 1 0 340.515 4.174 10 0 EIAERO CC[NH2+]Cc1ccc(Br)cc1N1CCC[C@@H](CC)C1 ZINC000036170250 535478532 /nfs/dbraw/zinc/47/85/32/535478532.db2.gz DEHBZQCMPVNTFQ-CYBMUJFWSA-N 1 0 325.294 4.185 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000675055523 564111795 /nfs/dbraw/zinc/11/17/95/564111795.db2.gz VADLMAJSXJAVLB-KGLIPLIRSA-N 1 0 345.270 4.393 10 0 EIAERO COCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000013722242 563716817 /nfs/dbraw/zinc/71/68/17/563716817.db2.gz SFVRSOMIOYBQNQ-UHFFFAOYSA-N 1 0 349.858 4.054 10 0 EIAERO COCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000013722382 563717238 /nfs/dbraw/zinc/71/72/38/563717238.db2.gz CRZOYLQETSOWQR-UHFFFAOYSA-N 1 0 349.858 4.054 10 0 EIAERO CCOc1cc(C[NH2+]CCCOC)ccc1OCc1ccc(C)cc1 ZINC000013722589 563717246 /nfs/dbraw/zinc/71/72/46/563717246.db2.gz NCALEUNABNRWIX-UHFFFAOYSA-N 1 0 343.467 4.099 10 0 EIAERO CC[C@H](C)C[NH2+][C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014961428 564034519 /nfs/dbraw/zinc/03/45/19/564034519.db2.gz HFKLXQZALCVFKD-YJBOKZPZSA-N 1 0 340.515 4.241 10 0 EIAERO CC[NH+](CC)CCNC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000048545289 564129349 /nfs/dbraw/zinc/12/93/49/564129349.db2.gz PFISDLSWJUJJFP-ZRDIBKRKSA-N 1 0 346.858 4.071 10 0 EIAERO c1csc(C2=CCN(Cc3nc(-c4ccsc4)no3)CC2)c1 ZINC000117894934 1031268129 /nfs/dbraw/zinc/26/81/29/1031268129.db2.gz ORYRDVLBMBJSMX-UHFFFAOYSA-N 1 0 329.450 4.149 10 0 EIAERO Cc1ccccc1[C@@H](C)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000119420648 1031929684 /nfs/dbraw/zinc/92/96/84/1031929684.db2.gz GAFKGMFNBZHDIB-GOSISDBHSA-N 1 0 328.500 4.171 10 0 EIAERO C[C@H]([NH3+])[C@H](OCC1CCCCC1)c1ccc(Br)s1 ZINC000052147813 214118830 /nfs/dbraw/zinc/11/88/30/214118830.db2.gz JEEBLXBOXYJTJE-HZMBPMFUSA-N 1 0 332.307 4.496 10 0 EIAERO CC(C)(C)[NH2+]C[C@@H](OC1CCC1)c1ccc(Br)cc1 ZINC000052148924 214119887 /nfs/dbraw/zinc/11/98/87/214119887.db2.gz XZUZCOCLDATTGH-OAHLLOKOSA-N 1 0 326.278 4.447 10 0 EIAERO C[NH2+]C[C@H](Cc1ccc(Br)s1)Cc1ccccc1C ZINC000052978626 214159162 /nfs/dbraw/zinc/15/91/62/214159162.db2.gz DAQMDOYYXAVXOZ-ZDUSSCGKSA-N 1 0 338.314 4.440 10 0 EIAERO CC(C)(C)[NH2+]Cc1nc(-c2cccc(Br)c2)cs1 ZINC000053295829 214175126 /nfs/dbraw/zinc/17/51/26/214175126.db2.gz WQAXHKPGVFLGIQ-UHFFFAOYSA-N 1 0 325.275 4.461 10 0 EIAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCNCc1cc(Br)cs1 ZINC000053439264 214183014 /nfs/dbraw/zinc/18/30/14/214183014.db2.gz IAXTWWMMLPLAMS-DOMZBBRYSA-N 1 0 345.350 4.111 10 0 EIAERO CC[C@H]1CCCC[N@@H+]1CC[C@H](O)c1cccc(Br)c1 ZINC000053972684 214209210 /nfs/dbraw/zinc/20/92/10/214209210.db2.gz YUQSIPRHZICDMD-HOTGVXAUSA-N 1 0 326.278 4.137 10 0 EIAERO CCC[C@@](C)(C[NH2+]CCOC)Cc1ccc(Br)s1 ZINC000054657440 214248707 /nfs/dbraw/zinc/24/87/07/214248707.db2.gz HUGOFRMWGHKROZ-CQSZACIVSA-N 1 0 334.323 4.096 10 0 EIAERO C[NH2+][C@H](Cc1ccc(Br)s1)C1(c2ccccc2)CC1 ZINC000062781314 214732398 /nfs/dbraw/zinc/73/23/98/214732398.db2.gz NZPZQQFCKVODLN-CQSZACIVSA-N 1 0 336.298 4.373 10 0 EIAERO [NH3+][C@H](Cc1ccc(F)cc1Cl)Cc1ccccc1Br ZINC000055335291 214309148 /nfs/dbraw/zinc/30/91/48/214309148.db2.gz KRUBATLWBRNUDN-ZDUSSCGKSA-N 1 0 342.639 4.354 10 0 EIAERO C[C@@H](c1cccs1)N(C)c1cc(Br)ccc1C[NH3+] ZINC000049727888 214029956 /nfs/dbraw/zinc/02/99/56/214029956.db2.gz UHIRUVXJZJAPOZ-JTQLQIEISA-N 1 0 325.275 4.167 10 0 EIAERO C[C@@H](Nc1cc(Br)ccc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000061690864 214670849 /nfs/dbraw/zinc/67/08/49/214670849.db2.gz OVNMUASEBJVSOZ-MNOVXSKESA-N 1 0 331.685 4.245 10 0 EIAERO COc1cccc(Cn2c(C)c(C3CC[NH2+]CC3)c3ccccc32)c1 ZINC000049453612 214009506 /nfs/dbraw/zinc/00/95/06/214009506.db2.gz KOQRVEMJXZMTRG-UHFFFAOYSA-N 1 0 334.463 4.474 10 0 EIAERO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)[N@@H+]3C)[C@@H]12 ZINC000004216478 210144772 /nfs/dbraw/zinc/14/47/72/210144772.db2.gz FMPNFDSPHNUFOS-LPJDIUFZSA-N 1 0 345.527 4.419 10 0 in-vivo EIAERO Cc1ccc2cc(-c3n[nH]c4ccc(N[C@@H]5CCC[NH2+]C5)cc43)[nH]c2c1 ZINC000066077224 215006892 /nfs/dbraw/zinc/00/68/92/215006892.db2.gz FDGMBQPEHIDLGV-MRXNPFEDSA-N 1 0 345.450 4.184 10 0 EIAERO C[NH+]1CCC([C@@H]2Cc3ccccc3[C@]2(O)c2ccc(Cl)cc2)CC1 ZINC000003621366 210067210 /nfs/dbraw/zinc/06/72/10/210067210.db2.gz HIVJZCBYCPLYFE-LEWJYISDSA-N 1 0 341.882 4.090 10 0 EIAERO Cc1csc(S[C@@H](c2cccc(Br)c2)[C@H](C)[NH3+])n1 ZINC000043024608 213554036 /nfs/dbraw/zinc/55/40/36/213554036.db2.gz RCGDFNOBHUFSKH-JOYOIKCWSA-N 1 0 343.315 4.395 10 0 EIAERO C[C@@H]([NH3+])[C@H](SCc1ccco1)c1ccc(Br)cc1 ZINC000042959309 213546424 /nfs/dbraw/zinc/54/64/24/213546424.db2.gz YRUZMYVFGKHEMG-YGRLFVJLSA-N 1 0 326.259 4.364 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1ccccc1)N(C)Cc1csc(Br)c1 ZINC000042902264 213540387 /nfs/dbraw/zinc/54/03/87/213540387.db2.gz XZNVUNWAVUYXNR-ABAIWWIYSA-N 1 0 339.302 4.031 10 0 EIAERO COc1ccc(C[N@H+](C)CC2CCCCC2)cc1Br ZINC000103992686 219337159 /nfs/dbraw/zinc/33/71/59/219337159.db2.gz TWSJPPJTCGXPID-UHFFFAOYSA-N 1 0 326.278 4.470 10 0 EIAERO C[C@@H]1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000068592898 215320842 /nfs/dbraw/zinc/32/08/42/215320842.db2.gz WJXVFKYBSHGCGK-BVIKNXMNSA-N 1 0 332.488 4.199 10 0 EIAERO C[C@@H]1C(NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592747 215321471 /nfs/dbraw/zinc/32/14/71/215321471.db2.gz YASBDTKCNDHYRQ-XWOWWNTKSA-N 1 0 346.515 4.445 10 0 EIAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592729 215322042 /nfs/dbraw/zinc/32/20/42/215322042.db2.gz ORBLPFKGRVVFDQ-CBZIJGRNSA-N 1 0 332.488 4.199 10 0 EIAERO C[NH+](C)CCC(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000038647375 213218856 /nfs/dbraw/zinc/21/88/56/213218856.db2.gz ZGBXKCDIXNVJQB-UHFFFAOYSA-N 1 0 332.241 4.251 10 0 EIAERO CC[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(O)cc1 ZINC000038018533 213190696 /nfs/dbraw/zinc/19/06/96/213190696.db2.gz VGYIXGHIHBTQDK-ZDUSSCGKSA-N 1 0 326.259 4.457 10 0 EIAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000038014006 213190205 /nfs/dbraw/zinc/19/02/05/213190205.db2.gz YPPWZCWCNSIABS-NHYWBVRUSA-N 1 0 331.287 4.339 10 0 EIAERO C[C@@]([NH2+]C1CCCCCC1)(C(N)=O)c1cc(Cl)ccc1Cl ZINC000037972324 213177491 /nfs/dbraw/zinc/17/74/91/213177491.db2.gz JGXJTYRFTYZTGK-INIZCTEOSA-N 1 0 329.271 4.006 10 0 EIAERO CC(C)[NH2+]Cc1ccc(Br)cc1N(C)[C@@H](C)C1CC1 ZINC000036786106 213118435 /nfs/dbraw/zinc/11/84/35/213118435.db2.gz OVJSCQLTSOAESG-LBPRGKRZSA-N 1 0 325.294 4.182 10 0 EIAERO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)o1 ZINC000036098040 213065731 /nfs/dbraw/zinc/06/57/31/213065731.db2.gz IYSHDOGTORKTNV-HXUWFJFHSA-N 1 0 345.483 4.014 10 0 EIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000035805212 213049044 /nfs/dbraw/zinc/04/90/44/213049044.db2.gz OBRGVHVIODPPAG-MRXNPFEDSA-N 1 0 332.875 4.482 10 0 EIAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccc(CCOC)cc1 ZINC000035467419 213030680 /nfs/dbraw/zinc/03/06/80/213030680.db2.gz ROUXBXLVXZZXOV-HNNXBMFYSA-N 1 0 340.286 4.008 10 0 EIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)c(Br)c1 ZINC000035455026 213030286 /nfs/dbraw/zinc/03/02/86/213030286.db2.gz HNUFKUIFVWTPKC-AWEZNQCLSA-N 1 0 326.259 4.136 10 0 EIAERO CC[N@H+](Cc1ccc(Br)s1)Cc1ccccc1N ZINC000035064441 213007362 /nfs/dbraw/zinc/00/73/62/213007362.db2.gz PXQCFMYNWXHZHN-UHFFFAOYSA-N 1 0 325.275 4.115 10 0 EIAERO COc1cccc(-c2cccc([C@H]3Cc4ccccc4C(=[NH2+])N3)c2)c1 ZINC000034997383 213003527 /nfs/dbraw/zinc/00/35/27/213003527.db2.gz ZBIUQYWFCPRFKA-OAQYLSRUSA-N 1 0 328.415 4.365 10 0 EIAERO C[NH2+][C@@H](CC(C)(C)C)c1cc(OC)c(OC)cc1Br ZINC000035496676 213032502 /nfs/dbraw/zinc/03/25/02/213032502.db2.gz UOVTYMSUDOALTC-LBPRGKRZSA-N 1 0 330.266 4.163 10 0 EIAERO Cc1ccccc1OC[C@H]1CCC[N@@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000072153983 216042080 /nfs/dbraw/zinc/04/20/80/216042080.db2.gz YKVWCDWMOAGJFE-SFHVURJKSA-N 1 0 339.483 4.199 10 0 EIAERO CCCCC[C@@H]([NH3+])c1cc2c(cc1Br)OCCCO2 ZINC000037332427 213140966 /nfs/dbraw/zinc/14/09/66/213140966.db2.gz PUIPLXZLFDEAQI-CYBMUJFWSA-N 1 0 328.250 4.191 10 0 EIAERO [NH3+]CCc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000037720813 213162542 /nfs/dbraw/zinc/16/25/42/213162542.db2.gz TYSKLLPAFBPMPM-UHFFFAOYSA-N 1 0 340.648 4.183 10 0 EIAERO CCOc1ccc(Cl)cc1[C@@H](CN1CC[NH+](C)CC1)[C@H](C)CC ZINC000022042338 212273006 /nfs/dbraw/zinc/27/30/06/212273006.db2.gz PTFMLNBMLFZOGC-QAPCUYQASA-N 1 0 338.923 4.116 10 0 EIAERO Cc1ccc(COc2ccccc2C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000020873650 212180983 /nfs/dbraw/zinc/18/09/83/212180983.db2.gz JJLSSRIQKLLFEJ-JOCHJYFZSA-N 1 0 347.458 4.397 10 0 EIAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000020586650 212150124 /nfs/dbraw/zinc/15/01/24/212150124.db2.gz ZBEQHRHBWJZSDF-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000020586946 212149620 /nfs/dbraw/zinc/14/96/20/212149620.db2.gz LIDJRHDZJRUSHN-CQSZACIVSA-N 1 0 344.611 4.298 10 0 EIAERO COc1ccc(CC[NH2+][C@H](C)c2ccccc2Br)cc1 ZINC000019907399 212082111 /nfs/dbraw/zinc/08/21/11/212082111.db2.gz NOVUFTJMOBRZTR-CYBMUJFWSA-N 1 0 334.257 4.351 10 0 EIAERO C[NH2+]Cc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000019777373 212065174 /nfs/dbraw/zinc/06/51/74/212065174.db2.gz FSDPYBHXYKNFNG-UHFFFAOYSA-N 1 0 344.213 4.440 10 0 EIAERO C[NH2+][C@H](Cc1cc(Br)ccc1OC)c1cccs1 ZINC000049598935 214021442 /nfs/dbraw/zinc/02/14/42/214021442.db2.gz DIUNLJGNPZZKCL-GFCCVEGCSA-N 1 0 326.259 4.022 10 0 EIAERO Cc1c([C@@H](C)[NH2+]C2CCOCC2)cnn1-c1cccc2ccccc21 ZINC000012429574 211377710 /nfs/dbraw/zinc/37/77/10/211377710.db2.gz CGUWWGPDBLRSBD-OAHLLOKOSA-N 1 0 335.451 4.164 10 0 EIAERO [NH3+]Cc1ccc(COc2ccc(Br)cc2Cl)cc1 ZINC000011945656 211273878 /nfs/dbraw/zinc/27/38/78/211273878.db2.gz QNMVLDWFSZIDCK-UHFFFAOYSA-N 1 0 326.621 4.140 10 0 EIAERO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011873393 211261532 /nfs/dbraw/zinc/26/15/32/211261532.db2.gz OSNZBCCOSPZFQE-VYFWZWAVSA-N 1 0 334.454 4.219 10 0 EIAERO CC[C@H](C[N@H+](C)Cc1ccccc1)n1c2ccccc2nc1C(C)=O ZINC000095089614 218279144 /nfs/dbraw/zinc/27/91/44/218279144.db2.gz JPDXCPKRVAVSDA-GOSISDBHSA-N 1 0 335.451 4.322 10 0 EIAERO Cc1ccccc1Cn1c2ccccc2nc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000095090274 218280279 /nfs/dbraw/zinc/28/02/79/218280279.db2.gz DMPGIZHRQPDNNA-MSOLQXFVSA-N 1 0 334.467 4.075 10 0 EIAERO C/C(=C/c1ccccc1)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000033304812 563915730 /nfs/dbraw/zinc/91/57/30/563915730.db2.gz QYZBCJYLCZHUKA-MNDPQUGUSA-N 1 0 340.511 4.060 10 0 EIAERO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000169616735 564017132 /nfs/dbraw/zinc/01/71/32/564017132.db2.gz FWBIWXGKOUKNHP-KONPQCLYSA-N 1 0 332.488 4.199 10 0 EIAERO CC[C@@H](C)C[NH2+][C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014961416 564034569 /nfs/dbraw/zinc/03/45/69/564034569.db2.gz HFKLXQZALCVFKD-CRAIPNDOSA-N 1 0 340.515 4.241 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1Cl ZINC000675052399 564052429 /nfs/dbraw/zinc/05/24/29/564052429.db2.gz AAMUWOVBMAXCPT-FZMZJTMJSA-N 1 0 345.270 4.393 10 0 EIAERO COC(=O)c1oc([C@@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)cc1C ZINC000121289868 1032615971 /nfs/dbraw/zinc/61/59/71/1032615971.db2.gz NOGYACOLWPKMKC-CYBMUJFWSA-N 1 0 348.468 4.080 10 0 EIAERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1 ZINC000121316736 1030013348 /nfs/dbraw/zinc/01/33/48/1030013348.db2.gz YUXAGVUGMOHNIQ-ORYQWCPZSA-N 1 0 341.474 4.172 10 0 EIAERO Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000129108153 1031778438 /nfs/dbraw/zinc/77/84/38/1031778438.db2.gz HARIDRUXVXPYCH-HOCLYGCPSA-N 1 0 342.468 4.182 10 0 EIAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000076389467 1045893194 /nfs/dbraw/zinc/89/31/94/1045893194.db2.gz KKWHJZDLIDEENK-QAPCUYQASA-N 1 0 349.434 4.123 10 0 EIAERO C[NH2+]C[C@@H](OC1CCC(C)CC1)c1cccc(Br)c1 ZINC000050490896 214058149 /nfs/dbraw/zinc/05/81/49/214058149.db2.gz YBMUVMQCRBYRLX-VDSRIPIWSA-N 1 0 326.278 4.305 10 0 EIAERO CC[NH2+]Cc1cnc(Oc2ccccc2Br)c(Cl)c1 ZINC000051544607 214097593 /nfs/dbraw/zinc/09/75/93/214097593.db2.gz SKYKPWDMURJSEV-UHFFFAOYSA-N 1 0 341.636 4.399 10 0 EIAERO C[C@@H](CC[NH2+]C(C)(C)C)N(C)Cc1csc(Br)c1 ZINC000052547713 214132779 /nfs/dbraw/zinc/13/27/79/214132779.db2.gz LIVDQMAGAXVOFO-NSHDSACASA-N 1 0 333.339 4.109 10 0 EIAERO CN(Cc1ccc(Br)cc1)c1ccc(Cl)cc1C[NH3+] ZINC000052857025 214149866 /nfs/dbraw/zinc/14/98/66/214149866.db2.gz PIEFOAJURHGUMP-UHFFFAOYSA-N 1 0 339.664 4.198 10 0 EIAERO Cc1cc([C@H]([NH3+])Cc2cc(F)ccc2Br)ccc1F ZINC000053829576 214201756 /nfs/dbraw/zinc/20/17/56/214201756.db2.gz LUJMGQLRWDYGGT-OAHLLOKOSA-N 1 0 326.184 4.278 10 0 EIAERO Brc1ccc(SCC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000053621184 214191756 /nfs/dbraw/zinc/19/17/56/214191756.db2.gz BOGGZQGKZQFRGX-UHFFFAOYSA-N 1 0 326.303 4.319 10 0 EIAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC000053790149 214199262 /nfs/dbraw/zinc/19/92/62/214199262.db2.gz LYXKXGVTOFCXKQ-AWEZNQCLSA-N 1 0 328.612 4.484 10 0 EIAERO [NH3+][C@H](Cc1ccc(F)cc1Br)c1ccc(Cl)cc1 ZINC000053790147 214199350 /nfs/dbraw/zinc/19/93/50/214199350.db2.gz LYXKXGVTOFCXKQ-CQSZACIVSA-N 1 0 328.612 4.484 10 0 EIAERO [NH3+][C@H](Cc1sccc1Br)Cc1ccc(Cl)cc1 ZINC000053817498 214199882 /nfs/dbraw/zinc/19/98/82/214199882.db2.gz RCPQQEUELNWSMG-NSHDSACASA-N 1 0 330.678 4.277 10 0 EIAERO CC[N@H+](CC[C@@H](N)c1cccc(Br)c1)C1CCCC1 ZINC000053939833 214205906 /nfs/dbraw/zinc/20/59/06/214205906.db2.gz AKZPQTNNWMVVHB-MRXNPFEDSA-N 1 0 325.294 4.104 10 0 EIAERO CCCC[N@H+](CC[C@H](N)c1ccccc1Br)C1CC1 ZINC000054019631 214211314 /nfs/dbraw/zinc/21/13/14/214211314.db2.gz MSYUHYNRCFYAAT-INIZCTEOSA-N 1 0 325.294 4.104 10 0 EIAERO CC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)Cc2csc(Br)c2)C1 ZINC000053930172 214204751 /nfs/dbraw/zinc/20/47/51/214204751.db2.gz LFJCKJIMCCCFJE-DGCLKSJQSA-N 1 0 344.318 4.338 10 0 EIAERO CCC(CC)(C[NH2+]CCOC)Cc1cccc(Br)c1 ZINC000054658991 214248782 /nfs/dbraw/zinc/24/87/82/214248782.db2.gz IRXPMSXDNYUCTB-UHFFFAOYSA-N 1 0 328.294 4.034 10 0 EIAERO c1ccc(CCC[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)cc1 ZINC000055282265 214301775 /nfs/dbraw/zinc/30/17/75/214301775.db2.gz SFRDLXKQUUCFRZ-QHCPKHFHSA-N 1 0 349.522 4.002 10 0 EIAERO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000055292304 214302816 /nfs/dbraw/zinc/30/28/16/214302816.db2.gz DYKVXIZNZZFFBY-NRFANRHFSA-N 1 0 337.463 4.236 10 0 EIAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccn1)c1cccc(Br)c1 ZINC000043024445 213553999 /nfs/dbraw/zinc/55/39/99/213553999.db2.gz KMENUMDMJDMDCU-HIFRSBDPSA-N 1 0 337.286 4.415 10 0 EIAERO Cc1ccsc1[C@H](C[NH3+])N(C)Cc1cc(Br)cs1 ZINC000042398849 213503229 /nfs/dbraw/zinc/50/32/29/213503229.db2.gz SEAMGSXMAGLHQG-LBPRGKRZSA-N 1 0 345.331 4.012 10 0 EIAERO Cc1[nH+]c(-c2ccc(Br)cc2F)c(N)n1C(C)(C)C ZINC000103500379 219308287 /nfs/dbraw/zinc/30/82/87/219308287.db2.gz PNQSSLNBJANXEA-UHFFFAOYSA-N 1 0 326.213 4.097 10 0 EIAERO CCCCCN(C(C)C)[C@H](C[NH3+])c1ccccc1Br ZINC000103931963 219330565 /nfs/dbraw/zinc/33/05/65/219330565.db2.gz CWUPGLAMVQQIAG-MRXNPFEDSA-N 1 0 327.310 4.350 10 0 EIAERO Cc1cc(Br)ccc1OCC[NH2+]C1CCCCCC1 ZINC000104013114 219338840 /nfs/dbraw/zinc/33/88/40/219338840.db2.gz VXSDWCNDJLBBPK-UHFFFAOYSA-N 1 0 326.278 4.449 10 0 EIAERO C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(F)cc2Br)C1 ZINC000104016556 219338909 /nfs/dbraw/zinc/33/89/09/219338909.db2.gz STUQAJHNAGNXHA-DGCLKSJQSA-N 1 0 330.241 4.135 10 0 EIAERO C[NH2+]C[C@@]1(Cc2ccc(F)c(Br)c2)C[C@H]2CC[C@@H]1C2 ZINC000104020012 219339171 /nfs/dbraw/zinc/33/91/71/219339171.db2.gz KKVJEMNOPKRHNF-GHJWDPDVSA-N 1 0 326.253 4.157 10 0 EIAERO Nc1[nH+]c2ccc(F)cc2n1-c1ccc(Br)cc1Cl ZINC000104163919 219354735 /nfs/dbraw/zinc/35/47/35/219354735.db2.gz OGBIKYFMQGFCGX-UHFFFAOYSA-N 1 0 340.583 4.163 10 0 EIAERO C[C@@H](C[C@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1)c1ccccc1 ZINC000068591398 215321445 /nfs/dbraw/zinc/32/14/45/215321445.db2.gz DEJQAYTZSHFCQX-QFBILLFUSA-N 1 0 346.515 4.321 10 0 EIAERO [NH3+][C@@H](Cc1ccc(F)cc1Br)c1cc(F)ccc1F ZINC000104232050 219362635 /nfs/dbraw/zinc/36/26/35/219362635.db2.gz CRJWNIGSFWLIRH-AWEZNQCLSA-N 1 0 330.147 4.109 10 0 EIAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1cccc2ccccc21 ZINC000040687568 213369572 /nfs/dbraw/zinc/36/95/72/213369572.db2.gz MKWYMDMQOZSSFR-UHFFFAOYSA-N 1 0 328.379 4.094 10 0 EIAERO CCCCCOc1cc(N)ccc1C(=O)SCC[NH+](CC)CC ZINC000002020862 209810995 /nfs/dbraw/zinc/81/09/95/209810995.db2.gz NYURKJUPLYAKAU-UHFFFAOYSA-N 1 0 338.517 4.053 10 0 EIAERO C[NH+](C)CCCn1c2cc(Cl)ccc2nc1Cc1ccccc1 ZINC000040404202 213298654 /nfs/dbraw/zinc/29/86/54/213298654.db2.gz JXWTULYXPYVMKL-UHFFFAOYSA-N 1 0 327.859 4.232 10 0 EIAERO CC(C)C[NH+](CC(=O)c1ccc(Br)cc1)CC(C)C ZINC000001700087 209783420 /nfs/dbraw/zinc/78/34/20/209783420.db2.gz IMSOAKAEAHQKLM-UHFFFAOYSA-N 1 0 326.278 4.246 10 0 EIAERO C[C@@H](CN[C@@H](C)c1ccccc1Br)C[NH+]1CCCCC1 ZINC000038041770 213197444 /nfs/dbraw/zinc/19/74/44/213197444.db2.gz KMAMJKCVQAJHHV-GJZGRUSLSA-N 1 0 339.321 4.222 10 0 EIAERO CCn1c2ccc(Br)cc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036833 213196065 /nfs/dbraw/zinc/19/60/65/213196065.db2.gz VPJFXUSDUOHJPU-HNNXBMFYSA-N 1 0 336.277 4.399 10 0 EIAERO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)s1)N(C)C ZINC000038002137 213186101 /nfs/dbraw/zinc/18/61/01/213186101.db2.gz VRQPWZGCYSRDBF-RYUDHWBXSA-N 1 0 333.339 4.138 10 0 EIAERO C[C@H](Cc1c(F)cccc1F)[NH2+]Cc1ccc(Br)o1 ZINC000037775998 213167290 /nfs/dbraw/zinc/16/72/90/213167290.db2.gz MAAHEMMCFIVYDP-SECBINFHSA-N 1 0 330.172 4.041 10 0 EIAERO CCCCC[C@H]([NH3+])c1cc2c(cc1Br)OCCCO2 ZINC000037332425 213140376 /nfs/dbraw/zinc/14/03/76/213140376.db2.gz PUIPLXZLFDEAQI-ZDUSSCGKSA-N 1 0 328.250 4.191 10 0 EIAERO CC[C@H](C)CN(C)c1cc(Br)ccc1C[NH2+]C(C)C ZINC000037173763 213134774 /nfs/dbraw/zinc/13/47/74/213134774.db2.gz SEYKXHDFUMYPAS-ZDUSSCGKSA-N 1 0 327.310 4.429 10 0 EIAERO COc1ccc([C@@H]([NH3+])Cc2ccc(Cl)cc2)cc1Br ZINC000036943465 213126031 /nfs/dbraw/zinc/12/60/31/213126031.db2.gz NQRIVLXDPAJRSK-AWEZNQCLSA-N 1 0 340.648 4.354 10 0 EIAERO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036098760 213064325 /nfs/dbraw/zinc/06/43/25/213064325.db2.gz RLGAJLMTBTVSFR-KNQAVFIVSA-N 1 0 341.495 4.173 10 0 EIAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000035805147 213048359 /nfs/dbraw/zinc/04/83/59/213048359.db2.gz HOIFSAIDAIHGAR-HNNXBMFYSA-N 1 0 348.874 4.183 10 0 EIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)c(Br)c1 ZINC000035572586 213038823 /nfs/dbraw/zinc/03/88/23/213038823.db2.gz ZJLLKRKXOLBPMZ-NSHDSACASA-N 1 0 340.183 4.451 10 0 EIAERO Cc1ccc(C)c(N2CC[NH+](CCc3ccc4ccccc4n3)CC2)c1 ZINC000033827398 212964719 /nfs/dbraw/zinc/96/47/19/212964719.db2.gz DIINSJBHAZVCSN-UHFFFAOYSA-N 1 0 345.490 4.216 10 0 EIAERO Cc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2ccnc(C(C)C)n2)C1 ZINC000072153982 216042312 /nfs/dbraw/zinc/04/23/12/216042312.db2.gz YKVWCDWMOAGJFE-GOSISDBHSA-N 1 0 339.483 4.199 10 0 EIAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038003293 213187179 /nfs/dbraw/zinc/18/71/79/213187179.db2.gz BKGFWUXOOBFZGX-NEPJUHHUSA-N 1 0 333.339 4.138 10 0 EIAERO CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC000073656340 216407911 /nfs/dbraw/zinc/40/79/11/216407911.db2.gz YUAVUDXZPUGBLH-IAGOWNOFSA-N 1 0 326.525 4.388 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(Cl)s2)cc1Br ZINC000038074040 213199636 /nfs/dbraw/zinc/19/96/36/213199636.db2.gz LEMVKQANFYZIJP-LBPRGKRZSA-N 1 0 332.650 4.221 10 0 EIAERO Cc1nc2ccc(NC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)cc2s1 ZINC000023379893 212372386 /nfs/dbraw/zinc/37/23/86/212372386.db2.gz KTKUUUOQAZLWOR-LBPRGKRZSA-N 1 0 343.477 4.343 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]CCCOC(C)C)cc1OC ZINC000020931722 212190345 /nfs/dbraw/zinc/19/03/45/212190345.db2.gz KCOVXLLVAPCFLB-UHFFFAOYSA-N 1 0 329.868 4.042 10 0 EIAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@@H](C)O)cc1 ZINC000020874183 212179798 /nfs/dbraw/zinc/17/97/98/212179798.db2.gz CQVCHOVNYCHEIJ-QGZVFWFLSA-N 1 0 335.447 4.198 10 0 EIAERO Cc1ccc(COc2ccc3ccccc3c2C[NH2+]C[C@H](C)O)cc1 ZINC000020874185 212179875 /nfs/dbraw/zinc/17/98/75/212179875.db2.gz CQVCHOVNYCHEIJ-KRWDZBQOSA-N 1 0 335.447 4.198 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2)cc1Cl ZINC000020521895 212143433 /nfs/dbraw/zinc/14/34/33/212143433.db2.gz JYBFIXDGMAYDMC-CQSZACIVSA-N 1 0 326.621 4.159 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])CC(F)(F)F ZINC000019967851 212091225 /nfs/dbraw/zinc/09/12/25/212091225.db2.gz LCUHIGFGRMHALW-MRVPVSSYSA-N 1 0 332.547 4.063 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)Cc1cccs1 ZINC000043020525 213550192 /nfs/dbraw/zinc/55/01/92/213550192.db2.gz UXQIBRNMPOPGAT-ABAIWWIYSA-N 1 0 339.302 4.031 10 0 EIAERO COc1cccc(S[C@H](C[NH3+])c2ccccc2Br)c1 ZINC000043095789 213560997 /nfs/dbraw/zinc/56/09/97/213560997.db2.gz KGJQKYWOFICDKM-OAHLLOKOSA-N 1 0 338.270 4.250 10 0 EIAERO CCCCC[NH2+]Cc1cc(Br)cc(OC)c1OCC ZINC000010474802 211175032 /nfs/dbraw/zinc/17/50/32/211175032.db2.gz DFUBZJVZHQQPBB-UHFFFAOYSA-N 1 0 330.266 4.136 10 0 EIAERO CC(C)c1cc(N2CCC(C[NH3+])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000070456165 135618287 /nfs/dbraw/zinc/61/82/87/135618287.db2.gz DTOIMGYVMUPTTD-UHFFFAOYSA-N 1 0 344.890 4.096 10 0 EIAERO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCCn2ccnc2)o1 ZINC000010314109 563646919 /nfs/dbraw/zinc/64/69/19/563646919.db2.gz WPHDNNSCBURVRH-UHFFFAOYSA-N 1 0 329.831 4.285 10 0 EIAERO COc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccccc1 ZINC000013721609 563716862 /nfs/dbraw/zinc/71/68/62/563716862.db2.gz BTNIGWLXBJEZOY-UHFFFAOYSA-N 1 0 343.467 4.179 10 0 EIAERO CC(C)OCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000013721652 563716879 /nfs/dbraw/zinc/71/68/79/563716879.db2.gz OJWYNIMMYNMGPQ-UHFFFAOYSA-N 1 0 331.431 4.309 10 0 EIAERO CC1CCC(CC[NH2+]Cc2ccc(O)c(Br)c2)CC1 ZINC000070538425 563919682 /nfs/dbraw/zinc/91/96/82/563919682.db2.gz NSNWWACCZNTLBA-UHFFFAOYSA-N 1 0 326.278 4.461 10 0 EIAERO C[NH+](C)CC/C=C1/c2ccccc2[S@@](=O)c2ccc(Cl)cc21 ZINC000033954581 564001450 /nfs/dbraw/zinc/00/14/50/564001450.db2.gz FIRHWYHHSBEFJB-ZSXWFXDASA-N 1 0 331.868 4.204 10 0 in-vitro EIAERO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000169616739 564017135 /nfs/dbraw/zinc/01/71/35/564017135.db2.gz WJXVFKYBSHGCGK-MUQADHOPSA-N 1 0 332.488 4.199 10 0 EIAERO CC[C@H](C)C[NH2+][C@@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014961420 564034539 /nfs/dbraw/zinc/03/45/39/564034539.db2.gz HFKLXQZALCVFKD-MAUKXSAKSA-N 1 0 340.515 4.241 10 0 EIAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2cc(Cl)ccc2Cl)C1 ZINC000675055795 564111925 /nfs/dbraw/zinc/11/19/25/564111925.db2.gz YGQQSCJLHYIUEY-RISCZKNCSA-N 1 0 345.270 4.311 10 0 EIAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000101417605 564129506 /nfs/dbraw/zinc/12/95/06/564129506.db2.gz UWLUEWFMYQFHBU-HPFXQQBRSA-N 1 0 332.488 4.056 10 0 EIAERO O=C(NCC1CC1)[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000034733774 564177030 /nfs/dbraw/zinc/17/70/30/564177030.db2.gz YMOSAYYMOZAAQK-FGZHOGPDSA-N 1 0 348.490 4.166 10 0 EIAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000120396597 1032290233 /nfs/dbraw/zinc/29/02/33/1032290233.db2.gz MLWKDHTZGYQZDM-WTNAPCKOSA-N 1 0 335.495 4.033 10 0 EIAERO Cc1cccc(C)c1NC(=O)[C@H](C)N1CC=C(c2cccs2)CC1 ZINC000117895715 1031266643 /nfs/dbraw/zinc/26/66/43/1031266643.db2.gz PEURSTDACZBYNN-INIZCTEOSA-N 1 0 340.492 4.481 10 0 EIAERO COc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)ccc1SC ZINC000109326789 1031299024 /nfs/dbraw/zinc/29/90/24/1031299024.db2.gz OLSVRTZADOYCIB-CQSZACIVSA-N 1 0 334.510 4.253 10 0 EIAERO Cc1nc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cs1 ZINC000120823212 1031432722 /nfs/dbraw/zinc/43/27/22/1031432722.db2.gz GBESVJNQZYLJCQ-INIZCTEOSA-N 1 0 338.480 4.221 10 0 EIAERO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788778 1039588934 /nfs/dbraw/zinc/58/89/34/1039588934.db2.gz TXTSKELHVCNFKW-GFCCVEGCSA-N 1 0 338.908 4.033 10 0 EIAERO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000092788765 1039589623 /nfs/dbraw/zinc/58/96/23/1039589623.db2.gz OLGBBZRWJYSUOP-CQSZACIVSA-N 1 0 342.443 4.052 10 0 EIAERO Cc1cccnc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093193452 1039645360 /nfs/dbraw/zinc/64/53/60/1039645360.db2.gz IRZDLWQSLXPKML-SFHVURJKSA-N 1 0 332.451 4.160 10 0 EIAERO C[NH2+]C[C@@H](OC1CCCCCC1)c1ccc(Br)cc1 ZINC000050501042 214057682 /nfs/dbraw/zinc/05/76/82/214057682.db2.gz KBNQFWQEENHYQS-MRXNPFEDSA-N 1 0 326.278 4.449 10 0 EIAERO Cc1cc(Cl)ccc1Oc1ncc(Br)cc1C[NH3+] ZINC000051549991 214096330 /nfs/dbraw/zinc/09/63/30/214096330.db2.gz YKFRHANSAPMGTB-UHFFFAOYSA-N 1 0 327.609 4.057 10 0 EIAERO C[NH2+][C@@H](C)c1cc(Br)ccc1OCc1csc(C)n1 ZINC000052067079 214115120 /nfs/dbraw/zinc/11/51/20/214115120.db2.gz FTUOBEWMAKCVPQ-VIFPVBQESA-N 1 0 341.274 4.073 10 0 EIAERO NC(=[NH2+])c1c(Cl)cccc1Oc1ccccc1Br ZINC000052906745 214153640 /nfs/dbraw/zinc/15/36/40/214153640.db2.gz CJARYWVLCNRGBT-UHFFFAOYSA-N 1 0 325.593 4.179 10 0 EIAERO NC(=[NH2+])c1cc(Cl)ccc1Oc1ccc(Br)cc1F ZINC000052860333 214151074 /nfs/dbraw/zinc/15/10/74/214151074.db2.gz FNRNLSTZAJYWAX-UHFFFAOYSA-N 1 0 343.583 4.318 10 0 EIAERO CCC(C)(C)[NH2+]C[C@@H](C)N(C)Cc1ccccc1Br ZINC000053496963 214185639 /nfs/dbraw/zinc/18/56/39/214185639.db2.gz TWDYKODQBPRNLW-CYBMUJFWSA-N 1 0 327.310 4.048 10 0 EIAERO C[NH2+][C@@H]1CCCCC[C@@H]1CN(C)Cc1cc(Br)cs1 ZINC000053873546 214202702 /nfs/dbraw/zinc/20/27/02/214202702.db2.gz SSVNVHYKGRCDGF-IUODEOHRSA-N 1 0 345.350 4.111 10 0 EIAERO C[C@@]([NH3+])(Cc1cc(F)ccc1Br)c1ccccc1F ZINC000053755970 214196400 /nfs/dbraw/zinc/19/64/00/214196400.db2.gz WAKSSMVHUVFLAP-OAHLLOKOSA-N 1 0 326.184 4.144 10 0 EIAERO CCC[N@H+](CC)CC[C@@H](NCC)c1cccc(Br)c1 ZINC000053938867 214206445 /nfs/dbraw/zinc/20/64/45/214206445.db2.gz BSXAPVAHJPHSMC-MRXNPFEDSA-N 1 0 327.310 4.222 10 0 EIAERO CN[C@@H](CC[N@H+](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000053941831 214206633 /nfs/dbraw/zinc/20/66/33/214206633.db2.gz KMGAFOZCNZAILQ-HNNXBMFYSA-N 1 0 327.310 4.078 10 0 EIAERO CN[C@H](CC[N@H+](C)CCC(C)C)c1ccc(Br)cc1 ZINC000053971922 214207490 /nfs/dbraw/zinc/20/74/90/214207490.db2.gz RKHXQODGFPYMOR-MRXNPFEDSA-N 1 0 327.310 4.078 10 0 EIAERO CC[N@H+](CC[C@@H](O)c1cccc(Br)c1)C1CCCC1 ZINC000053972826 214208857 /nfs/dbraw/zinc/20/88/57/214208857.db2.gz CUBFBTYEQXACJT-MRXNPFEDSA-N 1 0 326.278 4.137 10 0 EIAERO CC(C)(C)[NH2+]Cc1cnc(Cc2ccccc2Br)s1 ZINC000055335986 214308786 /nfs/dbraw/zinc/30/87/86/214308786.db2.gz YQLOUYPIDFNAMI-UHFFFAOYSA-N 1 0 339.302 4.385 10 0 EIAERO C[NH2+][C@@H](C)c1sc(Cc2ccccc2Br)nc1C ZINC000055335744 214308975 /nfs/dbraw/zinc/30/89/75/214308975.db2.gz RIYKQJYXFWOLGD-VIFPVBQESA-N 1 0 325.275 4.085 10 0 EIAERO CC[NH2+][C@H](Cc1cccs1)Cc1cc(Br)ccc1F ZINC000060706990 214646709 /nfs/dbraw/zinc/64/67/09/214646709.db2.gz MTVGKSCRXPRKDO-ZDUSSCGKSA-N 1 0 342.277 4.413 10 0 EIAERO CCC(CC)C[N@H+](CC)[C@H](CN)c1cccc(Br)c1 ZINC000103930499 219330589 /nfs/dbraw/zinc/33/05/89/219330589.db2.gz JVUJAXZEFMMMLY-MRXNPFEDSA-N 1 0 327.310 4.207 10 0 EIAERO CCC(CC)C[N@H+](CC)[C@@H](CN)c1cccc(Br)c1 ZINC000103930495 219330014 /nfs/dbraw/zinc/33/00/14/219330014.db2.gz JVUJAXZEFMMMLY-INIZCTEOSA-N 1 0 327.310 4.207 10 0 EIAERO CCC1(C)CC[NH+](Cc2ccc(OC)c(Br)c2)CC1 ZINC000103982611 219336091 /nfs/dbraw/zinc/33/60/91/219336091.db2.gz AAJCQZSEGRYOFX-UHFFFAOYSA-N 1 0 326.278 4.470 10 0 EIAERO CC[C@H](CCOc1cccc(Br)c1)C[NH2+]CC(C)C ZINC000104008867 219337966 /nfs/dbraw/zinc/33/79/66/219337966.db2.gz AYCPEABGNXCXPN-CQSZACIVSA-N 1 0 328.294 4.490 10 0 EIAERO Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2C)c(Br)c1 ZINC000104013044 219339456 /nfs/dbraw/zinc/33/94/56/219339456.db2.gz RNCABOYFMRFFKD-UKRRQHHQSA-N 1 0 326.278 4.305 10 0 EIAERO CCC1(C)CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000103980905 219334854 /nfs/dbraw/zinc/33/48/54/219334854.db2.gz WSVKEDQDTDYHAQ-UHFFFAOYSA-N 1 0 326.278 4.340 10 0 EIAERO NC(=[NH2+])c1cc(F)ccc1Oc1ccc(Cl)cc1Br ZINC000104239785 219363940 /nfs/dbraw/zinc/36/39/40/219363940.db2.gz UIPUPXMHTKSVPL-UHFFFAOYSA-N 1 0 343.583 4.318 10 0 EIAERO CCCN[C@@H](c1nccn1CCC)c1sccc1Br ZINC000104300310 219371879 /nfs/dbraw/zinc/37/18/79/219371879.db2.gz OAXPXNAGLLRXOG-GFCCVEGCSA-N 1 0 342.306 4.206 10 0 EIAERO [NH3+][C@@H](COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000104323494 219374025 /nfs/dbraw/zinc/37/40/25/219374025.db2.gz SOSYRCRIZGOKMH-ZDUSSCGKSA-N 1 0 326.621 4.181 10 0 EIAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc(Cl)cc1Cl ZINC000040687610 213368837 /nfs/dbraw/zinc/36/88/37/213368837.db2.gz WBUFOTGNRWTKSE-UHFFFAOYSA-N 1 0 347.209 4.248 10 0 EIAERO C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Br)c1)N1CCCCC1 ZINC000038029101 213192942 /nfs/dbraw/zinc/19/29/42/213192942.db2.gz ILAPQAHIWMCHND-CHWSQXEVSA-N 1 0 343.284 4.113 10 0 EIAERO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(Br)c2)cc1 ZINC000038012587 213188942 /nfs/dbraw/zinc/18/89/42/213188942.db2.gz HSNGKDCBYDJPRI-ZDUSSCGKSA-N 1 0 347.256 4.047 10 0 EIAERO [NH3+]Cc1ccccc1OCCCOc1ccc(Cl)c(Cl)c1 ZINC000038001389 213186055 /nfs/dbraw/zinc/18/60/55/213186055.db2.gz SRZKAOXSOFWVHZ-UHFFFAOYSA-N 1 0 326.223 4.300 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000037772396 213165209 /nfs/dbraw/zinc/16/52/09/213165209.db2.gz VUUSOYVAGBBZEF-GZBFAFLISA-N 1 0 325.294 4.207 10 0 EIAERO COc1ccc(-c2cncc(C[N@@H+]3CCCC[C@@H]3C)c2)cc1OC ZINC000037553875 213156337 /nfs/dbraw/zinc/15/63/37/213156337.db2.gz DSXFSPZVGLNIFQ-HNNXBMFYSA-N 1 0 326.440 4.140 10 0 EIAERO C[NH2+]Cc1ccc(-c2ccc(Br)cc2C(F)(F)F)o1 ZINC000037519054 213153419 /nfs/dbraw/zinc/15/34/19/213153419.db2.gz XBFWNYIHTCZNMM-UHFFFAOYSA-N 1 0 334.135 4.447 10 0 EIAERO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccnc2)cc1 ZINC000037522955 213152964 /nfs/dbraw/zinc/15/29/64/213152964.db2.gz KGWMOYHMSVWPOE-JOCHJYFZSA-N 1 0 331.463 4.441 10 0 EIAERO [NH3+][C@@H](Cc1cc(Br)cs1)c1nc2ccccc2s1 ZINC000037239374 213136446 /nfs/dbraw/zinc/13/64/46/213136446.db2.gz STSPFAQPWGEYTH-JTQLQIEISA-N 1 0 339.283 4.363 10 0 EIAERO [NH3+]Cc1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000070579916 215700294 /nfs/dbraw/zinc/70/02/94/215700294.db2.gz UBDQJYLMNWPCIR-UHFFFAOYSA-N 1 0 326.621 4.140 10 0 EIAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)c(Br)c1 ZINC000035508652 213034372 /nfs/dbraw/zinc/03/43/72/213034372.db2.gz JHGZWFOOGJPXHL-SNVBAGLBSA-N 1 0 326.156 4.061 10 0 EIAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462158 213030174 /nfs/dbraw/zinc/03/01/74/213030174.db2.gz OGPATYXFFXXWFD-HNNXBMFYSA-N 1 0 340.648 4.420 10 0 EIAERO Cc1cc(CC[NH3+])cc(C)c1OCc1ccc(Br)s1 ZINC000037720261 213162867 /nfs/dbraw/zinc/16/28/67/213162867.db2.gz VQBSZHOTSNLSDU-UHFFFAOYSA-N 1 0 340.286 4.208 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037772415 213165822 /nfs/dbraw/zinc/16/58/22/213165822.db2.gz FRYYEKJXBKURQJ-UONOGXRCSA-N 1 0 325.294 4.208 10 0 EIAERO CCCOc1c(C[NH2+][C@H](C)CC)cc(Br)cc1OC ZINC000020934221 212189261 /nfs/dbraw/zinc/18/92/61/212189261.db2.gz YEXWREQVFWVHGY-LLVKDONJSA-N 1 0 330.266 4.135 10 0 EIAERO [NH3+]Cc1c(Cl)cccc1Oc1ccc(Br)cc1F ZINC000020474064 212135625 /nfs/dbraw/zinc/13/56/25/212135625.db2.gz UPYICDXCPNWTKP-UHFFFAOYSA-N 1 0 330.584 4.493 10 0 EIAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000019803587 212070320 /nfs/dbraw/zinc/07/03/20/212070320.db2.gz QCZXTSNMSPWENX-CYBMUJFWSA-N 1 0 339.302 4.345 10 0 EIAERO Cc1nc[nH]c1C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012305236 211339629 /nfs/dbraw/zinc/33/96/29/211339629.db2.gz MEDUQBWOGAPOBG-GOSISDBHSA-N 1 0 349.482 4.016 10 0 EIAERO CCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1Br ZINC000010475214 211175996 /nfs/dbraw/zinc/17/59/96/211175996.db2.gz JCGWPAHAQLUZIE-UHFFFAOYSA-N 1 0 338.220 4.277 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000675052437 564052407 /nfs/dbraw/zinc/05/24/07/564052407.db2.gz AJBWUPFOFJRINF-FZMZJTMJSA-N 1 0 345.270 4.393 10 0 EIAERO CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2OC)cc1OC ZINC000013720534 563716468 /nfs/dbraw/zinc/71/64/68/563716468.db2.gz WTNQXXITRXEWIA-UHFFFAOYSA-N 1 0 335.831 4.046 10 0 EIAERO CC[NH+](CC)CCN(C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000048564469 564031873 /nfs/dbraw/zinc/03/18/73/564031873.db2.gz RUGFXDMJSMCYEY-UHFFFAOYSA-N 1 0 341.455 4.076 10 0 EIAERO CC[C@H](OC(C)=O)C(C[C@H](C)[NH2+]C)(c1ccccc1)c1ccccc1 ZINC000002575722 564049877 /nfs/dbraw/zinc/04/98/77/564049877.db2.gz VWCUGCYZZGRKEE-UWJYYQICSA-N 1 0 339.479 4.312 10 0 world EIAERO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@@H+](C2CCC2)C1 ZINC000012709958 564063515 /nfs/dbraw/zinc/06/35/15/564063515.db2.gz ZYXIAJPEKKTRAD-AKERNLMBSA-N 1 0 327.468 4.288 10 0 EIAERO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862265 564077042 /nfs/dbraw/zinc/07/70/42/564077042.db2.gz FSHWOHARCFBPFM-UHFFFAOYSA-N 1 0 344.817 4.343 10 0 EIAERO CCC(CC)(CC)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000076093227 564115659 /nfs/dbraw/zinc/11/56/59/564115659.db2.gz JJNUZZZLMFZLAM-UHFFFAOYSA-N 1 0 331.909 4.062 10 0 EIAERO O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000108795964 1031294087 /nfs/dbraw/zinc/29/40/87/1031294087.db2.gz DGBJBWBXMGCTGM-VXKWHMMOSA-N 1 0 348.490 4.030 10 0 EIAERO CCOC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000075743707 1045844122 /nfs/dbraw/zinc/84/41/22/1045844122.db2.gz RINUENZWSRLRKG-AWEZNQCLSA-N 1 0 334.847 4.244 10 0 EIAERO C[NH2+]C[C@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(Br)cc1 ZINC000050497505 214057545 /nfs/dbraw/zinc/05/75/45/214057545.db2.gz RRCJFQAUAKGKSP-WQVCFCJDSA-N 1 0 326.278 4.305 10 0 EIAERO C[NH2+]C[C@H](OC1CCC(C)CC1)c1ccc(Br)cc1 ZINC000050490836 214058210 /nfs/dbraw/zinc/05/82/10/214058210.db2.gz ONWOSXUGUIBTBI-MOQPWLNLSA-N 1 0 326.278 4.305 10 0 EIAERO C[C@H]([NH3+])[C@H](OCC1CCCCC1)c1cccc(Br)c1 ZINC000052147692 214119702 /nfs/dbraw/zinc/11/97/02/214119702.db2.gz XZLZUKPNCASSJO-LRDDRELGSA-N 1 0 326.278 4.434 10 0 EIAERO CC[NH2+]C[C@H](CCOC(C)C)Cc1ccccc1Br ZINC000052979939 214158769 /nfs/dbraw/zinc/15/87/69/214158769.db2.gz CAFVWSDEBHYZCR-CQSZACIVSA-N 1 0 328.294 4.032 10 0 EIAERO C[NH2+]C[C@H](Cc1ccc(Br)s1)Cc1ccc(F)cc1 ZINC000052974713 214158784 /nfs/dbraw/zinc/15/87/84/214158784.db2.gz CHPKRCHYLGLPFM-LBPRGKRZSA-N 1 0 342.277 4.271 10 0 EIAERO C[NH2+]C[C@@H](Cc1cc(Br)cs1)Cc1ccccc1C ZINC000052978705 214158931 /nfs/dbraw/zinc/15/89/31/214158931.db2.gz AZWDCXVSJMPOMS-CYBMUJFWSA-N 1 0 338.314 4.440 10 0 EIAERO C[C@@H]1CCC[C@@H]([NH2+]CCN(C)Cc2cc(Br)cs2)C1 ZINC000053429440 214182652 /nfs/dbraw/zinc/18/26/52/214182652.db2.gz QDXKGSOAXVAJKS-TZMCWYRMSA-N 1 0 345.350 4.111 10 0 EIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)Cc1ccc(F)cc1Br ZINC000053816808 214200575 /nfs/dbraw/zinc/20/05/75/214200575.db2.gz PRDZPPCEOUTEMD-AWEZNQCLSA-N 1 0 342.639 4.354 10 0 EIAERO CCC[NH2+][C@H](Cc1cc(Br)cs1)c1ccccn1 ZINC000053821859 214200691 /nfs/dbraw/zinc/20/06/91/214200691.db2.gz NHDRZAMGZOZAKP-CQSZACIVSA-N 1 0 325.275 4.189 10 0 EIAERO CN(CC[C@@H]([NH3+])c1cccc(Br)c1)Cc1ccsc1 ZINC000053939773 214205555 /nfs/dbraw/zinc/20/55/55/214205555.db2.gz DCUPAIMWEKOHBV-OAHLLOKOSA-N 1 0 339.302 4.033 10 0 EIAERO CN[C@H](CC[N@H+](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000053941833 214206193 /nfs/dbraw/zinc/20/61/93/214206193.db2.gz KMGAFOZCNZAILQ-OAHLLOKOSA-N 1 0 327.310 4.078 10 0 EIAERO CC[N@H+](CC[C@H](N)c1ccccc1Br)C1CCCC1 ZINC000054017758 214210935 /nfs/dbraw/zinc/21/09/35/214210935.db2.gz XZMYQGYFVNMQCC-INIZCTEOSA-N 1 0 325.294 4.104 10 0 EIAERO CC(C)C[C@@H](C)[N@H+](C)CCC(=O)c1ccccc1Br ZINC000054014692 214211005 /nfs/dbraw/zinc/21/10/05/214211005.db2.gz NLWFPJDVFRAFLV-CYBMUJFWSA-N 1 0 326.278 4.388 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(Br)s1)C1(c2ccccc2)CC1 ZINC000062781313 214732247 /nfs/dbraw/zinc/73/22/47/214732247.db2.gz NZPZQQFCKVODLN-AWEZNQCLSA-N 1 0 336.298 4.373 10 0 EIAERO CC[NH2+][C@@H](Cc1nc(C)cs1)Cc1sccc1Br ZINC000055269076 214298185 /nfs/dbraw/zinc/29/81/85/214298185.db2.gz OIRATUNZPQVUPM-SNVBAGLBSA-N 1 0 345.331 4.039 10 0 EIAERO COc1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1Br ZINC000055226866 214292438 /nfs/dbraw/zinc/29/24/38/214292438.db2.gz HQHATYKXTDKFGI-CQSZACIVSA-N 1 0 326.621 4.159 10 0 EIAERO C[NH+](C)CCCSc1c2ccccc2nn1Cc1ccccc1 ZINC000003630852 210068733 /nfs/dbraw/zinc/06/87/33/210068733.db2.gz VPMZGRVNLHDREW-UHFFFAOYSA-N 1 0 325.481 4.128 10 0 in-man EIAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)Cc1ccsc1 ZINC000043091581 213557893 /nfs/dbraw/zinc/55/78/93/213557893.db2.gz VDPWAHCMRALURY-XHDPSFHLSA-N 1 0 339.302 4.031 10 0 EIAERO C[C@@H]([NH3+])[C@@H](SCc1ccco1)c1ccc(Br)cc1 ZINC000042959315 213546172 /nfs/dbraw/zinc/54/61/72/213546172.db2.gz YRUZMYVFGKHEMG-QMTHXVAHSA-N 1 0 326.259 4.364 10 0 EIAERO CCC[C@@H](C)[N@H+](CC)Cc1ccccc1-c1nc(C(F)F)cc(=O)[nH]1 ZINC000067947561 215256504 /nfs/dbraw/zinc/25/65/04/215256504.db2.gz WQMMQKZFQNPIND-CYBMUJFWSA-N 1 0 349.425 4.385 10 0 EIAERO CCc1[nH+]c(-c2ccc(F)c(Br)c2)c(N)n1C(C)C ZINC000103501564 219308051 /nfs/dbraw/zinc/30/80/51/219308051.db2.gz DPIZKHIQWGOFRE-UHFFFAOYSA-N 1 0 326.213 4.177 10 0 EIAERO [NH3+]C[C@H](Cc1ccc(Cl)cc1)Cc1ccc(Br)cc1 ZINC000104155212 219354659 /nfs/dbraw/zinc/35/46/59/219354659.db2.gz UUXGSOMOWMDIEP-AWEZNQCLSA-N 1 0 338.676 4.463 10 0 EIAERO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592736 215321187 /nfs/dbraw/zinc/32/11/87/215321187.db2.gz ORBLPFKGRVVFDQ-UIBIWLFHSA-N 1 0 332.488 4.199 10 0 EIAERO C[C@H](C[C@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1)c1ccccc1 ZINC000068591403 215321393 /nfs/dbraw/zinc/32/13/93/215321393.db2.gz DEJQAYTZSHFCQX-VQIMIIECSA-N 1 0 346.515 4.321 10 0 EIAERO [NH3+]CCc1cc(F)c(Sc2ccccc2Br)c(F)c1 ZINC000104300025 219371871 /nfs/dbraw/zinc/37/18/71/219371871.db2.gz WUEQENACYLBWHN-UHFFFAOYSA-N 1 0 344.224 4.380 10 0 EIAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1cccc(Cl)c1Cl ZINC000040687583 213369151 /nfs/dbraw/zinc/36/91/51/213369151.db2.gz GEBIGVHNFPRQEB-UHFFFAOYSA-N 1 0 347.209 4.248 10 0 EIAERO CC[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(O)cc1 ZINC000038018534 213190110 /nfs/dbraw/zinc/19/01/10/213190110.db2.gz VGYIXGHIHBTQDK-CYBMUJFWSA-N 1 0 326.259 4.457 10 0 EIAERO CC(C)C[C@H](C[NH2+][C@H](C)c1ccc(Br)s1)N(C)C ZINC000038002140 213186132 /nfs/dbraw/zinc/18/61/32/213186132.db2.gz VRQPWZGCYSRDBF-VXGBXAGGSA-N 1 0 333.339 4.138 10 0 EIAERO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC000037984421 213183536 /nfs/dbraw/zinc/18/35/36/213183536.db2.gz ZNQAQQGZUUUVTR-STQMWFEESA-N 1 0 347.256 4.127 10 0 EIAERO [NH3+]C[C@H](c1ccc(Br)s1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809640 213120339 /nfs/dbraw/zinc/12/03/39/213120339.db2.gz ADAGMHQQDNBJHF-YNEHKIRRSA-N 1 0 343.334 4.023 10 0 EIAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccc(OC)cc1Cl ZINC000036768284 213117483 /nfs/dbraw/zinc/11/74/83/213117483.db2.gz XQPODAIPDBBPBT-ZDUSSCGKSA-N 1 0 346.677 4.481 10 0 EIAERO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)Cc2ccccc2)o1 ZINC000036097665 213065684 /nfs/dbraw/zinc/06/56/84/213065684.db2.gz BIKRCILPWUXMHZ-OAQYLSRUSA-N 1 0 335.447 4.194 10 0 EIAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000035805144 213048419 /nfs/dbraw/zinc/04/84/19/213048419.db2.gz HOIFSAIDAIHGAR-OAHLLOKOSA-N 1 0 348.874 4.183 10 0 EIAERO CC[NH2+][C@@H](c1ccc(Br)cc1)c1cc(F)cc(F)c1 ZINC000035539142 213036584 /nfs/dbraw/zinc/03/65/84/213036584.db2.gz QZBDEQGIAKHXBU-HNNXBMFYSA-N 1 0 326.184 4.426 10 0 EIAERO C[NH2+][C@@H](CCC(C)C)c1cc(OC)c(OC)cc1Br ZINC000035496651 213032809 /nfs/dbraw/zinc/03/28/09/213032809.db2.gz ZBKBBZYQWUOMKF-ZDUSSCGKSA-N 1 0 330.266 4.163 10 0 EIAERO CC[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)[C@H]1C[C@@H]1C ZINC000035509894 213035599 /nfs/dbraw/zinc/03/55/99/213035599.db2.gz LHQWNQUTWNGDSU-GMOODISLSA-N 1 0 332.669 4.418 10 0 EIAERO C[NH2+][C@H](CCC(C)C)c1cc(OC)c(OC)cc1Br ZINC000035496652 213032403 /nfs/dbraw/zinc/03/24/03/213032403.db2.gz ZBKBBZYQWUOMKF-CYBMUJFWSA-N 1 0 330.266 4.163 10 0 EIAERO C[NH2+][C@@H](CC(F)(F)F)c1cc(Cl)cc(Br)c1OC ZINC000035458561 213030416 /nfs/dbraw/zinc/03/04/16/213030416.db2.gz QJNCBFKUMDPZPC-VIFPVBQESA-N 1 0 346.574 4.324 10 0 EIAERO C[NH2+][C@H](c1sccc1C)c1cc(Br)ccc1OC ZINC000035455963 213030455 /nfs/dbraw/zinc/03/04/55/213030455.db2.gz GQIRYKLPCTUKKL-ZDUSSCGKSA-N 1 0 326.259 4.136 10 0 EIAERO [NH3+][C@H](Cc1ccc2ccccc2n1)c1ccc(Br)s1 ZINC000034940417 213002346 /nfs/dbraw/zinc/00/23/46/213002346.db2.gz KCXKYVDEJSIJNM-GFCCVEGCSA-N 1 0 333.254 4.301 10 0 EIAERO [NH3+]CCc1cc(Br)ccc1OCc1ccc(Cl)s1 ZINC000037720802 213163115 /nfs/dbraw/zinc/16/31/15/213163115.db2.gz GXJVCQGWMWRLEE-UHFFFAOYSA-N 1 0 346.677 4.244 10 0 EIAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(I)o2)cc1 ZINC000037770354 213165718 /nfs/dbraw/zinc/16/57/18/213165718.db2.gz XVAPLGZEMZYFQE-NSHDSACASA-N 1 0 341.192 4.043 10 0 EIAERO Clc1ccc(CCN2CCCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000022935728 212338216 /nfs/dbraw/zinc/33/82/16/212338216.db2.gz OQGQWYZQJYEGSJ-INIZCTEOSA-N 1 0 341.326 4.486 10 0 EIAERO CCCOc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCN1CC ZINC000020968019 212192701 /nfs/dbraw/zinc/19/27/01/212192701.db2.gz PDNNWOGCYYHRDL-SFHVURJKSA-N 1 0 326.484 4.203 10 0 EIAERO CCCOc1c(C[NH2+][C@@H](C)CC)cc(Br)cc1OC ZINC000020934214 212190547 /nfs/dbraw/zinc/19/05/47/212190547.db2.gz YEXWREQVFWVHGY-NSHDSACASA-N 1 0 330.266 4.135 10 0 EIAERO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000020873775 212179884 /nfs/dbraw/zinc/17/98/84/212179884.db2.gz AGPQLIWYKDFRNB-UHFFFAOYSA-N 1 0 326.484 4.005 10 0 EIAERO CC[N@H+]([C@H](CN)c1cc(Br)cs1)C1CCCCC1 ZINC000020475225 212136031 /nfs/dbraw/zinc/13/60/31/212136031.db2.gz ODMPAWBUNVLZLT-CYBMUJFWSA-N 1 0 331.323 4.165 10 0 EIAERO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000020477597 212135824 /nfs/dbraw/zinc/13/58/24/212135824.db2.gz UGNDRBUASBEDOD-UHFFFAOYSA-N 1 0 346.902 4.350 10 0 EIAERO [NH3+][C@@H](Cc1nc2ccccc2s1)c1ccc(Br)cc1 ZINC000020428628 212127657 /nfs/dbraw/zinc/12/76/57/212127657.db2.gz XINBQGUOLWLFDS-LBPRGKRZSA-N 1 0 333.254 4.301 10 0 EIAERO CC(C)[NH+](CCN[C@H](C)c1cccc(Br)c1)C(C)C ZINC000019901007 212080878 /nfs/dbraw/zinc/08/08/78/212080878.db2.gz AAXQNMKIDHCPHF-CQSZACIVSA-N 1 0 327.310 4.219 10 0 EIAERO CC[N@H+]([C@@H](CN)c1ccc(Br)s1)C1CCCCC1 ZINC000019475383 212031058 /nfs/dbraw/zinc/03/10/58/212031058.db2.gz RTCJOHXIKUBUSK-LBPRGKRZSA-N 1 0 331.323 4.165 10 0 EIAERO [NH3+][C@@H](c1ccc(Br)cc1)c1cccc(Br)c1 ZINC000019424605 212027622 /nfs/dbraw/zinc/02/76/22/212027622.db2.gz CIFKROMQIMJQGO-ZDUSSCGKSA-N 1 0 341.046 4.260 10 0 EIAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(Br)cc1Cl ZINC000043039754 213554715 /nfs/dbraw/zinc/55/47/15/213554715.db2.gz KGFJIXKQISMSRA-HNNXBMFYSA-N 1 0 340.648 4.490 10 0 EIAERO C[C@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1ccccc1Br ZINC000043094668 213559849 /nfs/dbraw/zinc/55/98/49/213559849.db2.gz KDNJVUUXHIEQKE-SPFUSLPCSA-N 1 0 326.278 4.433 10 0 EIAERO CC(=O)c1nc2ccccc2n1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095082710 218274444 /nfs/dbraw/zinc/27/44/44/218274444.db2.gz IEVLRJAXOCVAAY-IBGZPJMESA-N 1 0 347.462 4.151 10 0 EIAERO CC(=O)c1nc2ccccc2n1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095082694 218274792 /nfs/dbraw/zinc/27/47/92/218274792.db2.gz DZJAZYJFZDILIV-GOSISDBHSA-N 1 0 333.435 4.076 10 0 EIAERO Cc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000006478156 210637425 /nfs/dbraw/zinc/63/74/25/210637425.db2.gz OSXULGRJADDLNR-UHFFFAOYSA-N 1 0 339.936 4.244 10 0 EIAERO CC[NH2+]Cc1ccc(Br)cc1N1CCCC[C@@H]1CC ZINC000034824748 535478837 /nfs/dbraw/zinc/47/88/37/535478837.db2.gz PHSCGNWHEZZDBC-HNNXBMFYSA-N 1 0 325.294 4.328 10 0 EIAERO Clc1ccccc1C[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731554 563719508 /nfs/dbraw/zinc/71/95/08/563719508.db2.gz IMWKVCOWVBLMDG-UHFFFAOYSA-N 1 0 325.799 4.212 10 0 EIAERO CC(C)Cc1cc(=O)[nH]c(-c2ccccc2C[NH+]2CCCCCC2)n1 ZINC000048212332 564030059 /nfs/dbraw/zinc/03/00/59/564030059.db2.gz ZGUDNZSMRPTZMG-UHFFFAOYSA-N 1 0 339.483 4.011 10 0 EIAERO c1ccc2c(c1)cccc2-c1n[nH]c2c1C[N@H+](C1CCSCC1)CC2 ZINC000015064284 564053236 /nfs/dbraw/zinc/05/32/36/564053236.db2.gz YBLQPRNJRCZDOM-UHFFFAOYSA-N 1 0 349.503 4.484 10 0 EIAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(Cl)cc2Cl)C1 ZINC000675055705 564111898 /nfs/dbraw/zinc/11/18/98/564111898.db2.gz WUHYLLHABIQYBM-RISCZKNCSA-N 1 0 345.270 4.311 10 0 EIAERO [NH2+]=C(NC1CC1)SCc1nc(-c2c(F)cccc2F)cs1 ZINC000122075204 1030615271 /nfs/dbraw/zinc/61/52/71/1030615271.db2.gz TWCSFUPAQBYHKO-UHFFFAOYSA-N 1 0 325.409 4.008 10 0 EIAERO CC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1ccccc1OC ZINC000128220737 1031730316 /nfs/dbraw/zinc/73/03/16/1031730316.db2.gz JEQRPUVSPNCHLM-IBGZPJMESA-N 1 0 339.483 4.108 10 0 EIAERO C[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1N(C)C ZINC000093946978 1039769368 /nfs/dbraw/zinc/76/93/68/1039769368.db2.gz LZEATURJNFJRKB-OAHLLOKOSA-N 1 0 329.513 4.134 10 0 EIAERO C[NH2+][C@H](C)c1cc(Br)ccc1OCc1csc(C)n1 ZINC000052067078 214115308 /nfs/dbraw/zinc/11/53/08/214115308.db2.gz FTUOBEWMAKCVPQ-SECBINFHSA-N 1 0 341.274 4.073 10 0 EIAERO CC(C)(C)[NH2+]Cc1cnc(Cc2ccc(Br)cc2)s1 ZINC000052331443 214126304 /nfs/dbraw/zinc/12/63/04/214126304.db2.gz IVXSXSZIXKNVKR-UHFFFAOYSA-N 1 0 339.302 4.385 10 0 EIAERO COCCC[C@H](C[NH2+]C(C)C)Cc1ccccc1Br ZINC000052979985 214158255 /nfs/dbraw/zinc/15/82/55/214158255.db2.gz MZSCRZKQJNJLER-AWEZNQCLSA-N 1 0 328.294 4.032 10 0 EIAERO CCC[NH2+]C[C@H](CCCOC)Cc1ccc(Br)cc1 ZINC000052975629 214158398 /nfs/dbraw/zinc/15/83/98/214158398.db2.gz CMACZTFPLNQUCO-OAHLLOKOSA-N 1 0 328.294 4.034 10 0 EIAERO C[NH2+]C[C@@H](Cc1ccc(Br)s1)Cc1ccc(F)cc1 ZINC000052974715 214158877 /nfs/dbraw/zinc/15/88/77/214158877.db2.gz CHPKRCHYLGLPFM-GFCCVEGCSA-N 1 0 342.277 4.271 10 0 EIAERO COc1ccc([C@@H]([NH3+])Cc2cccc(Cl)c2)cc1Br ZINC000052944446 214155929 /nfs/dbraw/zinc/15/59/29/214155929.db2.gz BPPNLWCHZGEIGP-AWEZNQCLSA-N 1 0 340.648 4.354 10 0 EIAERO CCC(C)(C)[NH2+]C[C@@H](C)N(C)Cc1cc(Br)cs1 ZINC000053496049 214186330 /nfs/dbraw/zinc/18/63/30/214186330.db2.gz MECLIBXPEZHIRB-LLVKDONJSA-N 1 0 333.339 4.109 10 0 EIAERO CC[N@H+](CC[C@H](N)c1cccc(Br)c1)C1CCCC1 ZINC000053939832 214205677 /nfs/dbraw/zinc/20/56/77/214205677.db2.gz AKZPQTNNWMVVHB-INIZCTEOSA-N 1 0 325.294 4.104 10 0 EIAERO CCC[NH+](CCC)CC[C@@H](NC)c1ccc(Br)cc1 ZINC000053938160 214206837 /nfs/dbraw/zinc/20/68/37/214206837.db2.gz XPZCMLVFZTXMQD-MRXNPFEDSA-N 1 0 327.310 4.222 10 0 EIAERO CC(C)C[N@H+](CC[C@H](O)c1cccc(Br)c1)C(C)C ZINC000053973737 214208835 /nfs/dbraw/zinc/20/88/35/214208835.db2.gz XNJMUAOYTHRLNT-INIZCTEOSA-N 1 0 328.294 4.239 10 0 EIAERO C[N@H+](CC[C@H](N)c1ccccc1Br)C1CCCCC1 ZINC000054016360 214210640 /nfs/dbraw/zinc/21/06/40/214210640.db2.gz LZQCOVZZFOPTLS-INIZCTEOSA-N 1 0 325.294 4.104 10 0 EIAERO CCCC[N@H+](Cc1ccco1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055035826 214265314 /nfs/dbraw/zinc/26/53/14/214265314.db2.gz IHOGSRXYWHEUJG-UHFFFAOYSA-N 1 0 328.387 4.063 10 0 EIAERO CC[NH2+][C@H](Cc1csc(C)n1)Cc1sccc1Br ZINC000055295827 214302492 /nfs/dbraw/zinc/30/24/92/214302492.db2.gz RWHQNWOLBTUYHU-SNVBAGLBSA-N 1 0 345.331 4.039 10 0 EIAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(OC)c(Br)c1 ZINC000049597048 214021202 /nfs/dbraw/zinc/02/12/02/214021202.db2.gz MOHHDJPINRYSJR-OCCSQVGLSA-N 1 0 328.294 4.415 10 0 EIAERO Cc1ccc(O[C@@H](c2cccs2)[C@@H](C)[NH3+])c(Br)c1 ZINC000043110346 213561545 /nfs/dbraw/zinc/56/15/45/213561545.db2.gz KEJDQNXSKOUIEJ-QMTHXVAHSA-N 1 0 326.259 4.286 10 0 EIAERO [NH3+]C[C@@H](Sc1ccccc1Br)c1cccc(F)c1 ZINC000042974644 213547325 /nfs/dbraw/zinc/54/73/25/213547325.db2.gz YDXDEHRLXQYTTP-CQSZACIVSA-N 1 0 326.234 4.380 10 0 EIAERO [NH3+]C[C@@H](Oc1ccccc1Br)c1cccc(Cl)c1 ZINC000043018155 213551439 /nfs/dbraw/zinc/55/14/39/213551439.db2.gz ODHSJAVYHSNOJP-CQSZACIVSA-N 1 0 326.621 4.181 10 0 EIAERO CC[NH2+][C@H](C)[C@@H](Cc1cc(Br)ccc1OC)C(C)C ZINC000103942893 219331133 /nfs/dbraw/zinc/33/11/33/219331133.db2.gz WETFCNOVWJYUKK-DOMZBBRYSA-N 1 0 328.294 4.270 10 0 EIAERO COc1ccc(Br)cc1C[C@H]([NH3+])C1CCC(C)CC1 ZINC000103950008 219331818 /nfs/dbraw/zinc/33/18/18/219331818.db2.gz PHWQKEHJAPGJTL-QOZQQMKHSA-N 1 0 326.278 4.154 10 0 EIAERO C[NH2+][C@@H](c1ccc(I)cc1)C1=CCCCCC1 ZINC000104018429 219338867 /nfs/dbraw/zinc/33/88/67/219338867.db2.gz KIUCOYRCFKYMAA-OAHLLOKOSA-N 1 0 341.236 4.442 10 0 EIAERO C[C@H]1CCCC[C@H]1[N@H+](C)CCOc1cccc(Br)c1 ZINC000103973477 219335222 /nfs/dbraw/zinc/33/52/22/219335222.db2.gz KVVYBHARXFPSLB-XJKSGUPXSA-N 1 0 326.278 4.338 10 0 EIAERO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC000068593221 215321270 /nfs/dbraw/zinc/32/12/70/215321270.db2.gz QBFXTPLFVTYROG-KYHPRHEASA-N 1 0 332.488 4.056 10 0 EIAERO C[C@H]([NH3+])Cc1ccccc1N(C)Cc1cc(Br)cs1 ZINC000104271106 219368320 /nfs/dbraw/zinc/36/83/20/219368320.db2.gz DAIQKEKCAGHZKJ-NSHDSACASA-N 1 0 339.302 4.037 10 0 EIAERO C[NH+](C)CCCn1c2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000040389650 213296512 /nfs/dbraw/zinc/29/65/12/213296512.db2.gz BIIMOXJQOPQKAN-UHFFFAOYSA-N 1 0 327.859 4.232 10 0 EIAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H](CN)c2ccc(OCc3ccccc3)cc2)C1 ZINC000039789216 213242582 /nfs/dbraw/zinc/24/25/82/213242582.db2.gz RSWFDWCZDRKHCP-KGVIQGDOSA-N 1 0 338.495 4.243 10 0 EIAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)c(Br)c1 ZINC000037445014 213148382 /nfs/dbraw/zinc/14/83/82/213148382.db2.gz AFSZJPYZHIVISF-HNNXBMFYSA-N 1 0 340.648 4.354 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccccc2Cl)c(Br)c1 ZINC000037444842 213147994 /nfs/dbraw/zinc/14/79/94/213147994.db2.gz IWXGPNJCJRPRCY-CQSZACIVSA-N 1 0 326.621 4.159 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2Cl)c(Br)c1 ZINC000037444983 213148087 /nfs/dbraw/zinc/14/80/87/213148087.db2.gz XSJTUYRTVNSWKH-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO C[C@H]([NH2+][C@@H](C)c1ccc(I)cc1)c1ccco1 ZINC000037260250 213138360 /nfs/dbraw/zinc/13/83/60/213138360.db2.gz ZNZPPWGQZDBICJ-QWRGUYRKSA-N 1 0 341.192 4.296 10 0 EIAERO [NH3+][C@H](Cc1cc(Br)cs1)c1nc2ccccc2s1 ZINC000037239372 213136512 /nfs/dbraw/zinc/13/65/12/213136512.db2.gz STSPFAQPWGEYTH-SNVBAGLBSA-N 1 0 339.283 4.363 10 0 EIAERO NC(=[NH2+])c1ccc(Oc2ccc(Cl)cc2Br)c(F)c1 ZINC000036887984 213124544 /nfs/dbraw/zinc/12/45/44/213124544.db2.gz ZWSKSBULOZEFBR-UHFFFAOYSA-N 1 0 343.583 4.318 10 0 EIAERO CCOc1ccc(Br)cc1[C@@H]([NH2+]C)c1ccsc1 ZINC000035505438 213033423 /nfs/dbraw/zinc/03/34/23/213033423.db2.gz PCQIWPWJMKGHLC-AWEZNQCLSA-N 1 0 326.259 4.218 10 0 EIAERO CC[NH2+][C@@H](c1cc(Cl)cc(Br)c1OC)[C@@H]1C[C@@H]1C ZINC000035509890 213035590 /nfs/dbraw/zinc/03/55/90/213035590.db2.gz LHQWNQUTWNGDSU-IYYTYJHQSA-N 1 0 332.669 4.418 10 0 EIAERO C[NH2+][C@H](c1ccc(F)c(F)c1)c1cc(F)cc(Br)c1 ZINC000035494212 213032128 /nfs/dbraw/zinc/03/21/28/213032128.db2.gz WDVQQXOZRDQMRJ-CQSZACIVSA-N 1 0 330.147 4.175 10 0 EIAERO CCCCC[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Br ZINC000035496623 213032020 /nfs/dbraw/zinc/03/20/20/213032020.db2.gz OTPTTWIYXFKWSR-ZDUSSCGKSA-N 1 0 330.266 4.307 10 0 EIAERO C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(OC)c(Cl)c1 ZINC000035461645 213030211 /nfs/dbraw/zinc/03/02/11/213030211.db2.gz XTUGGXYXZOJQIV-CYBMUJFWSA-N 1 0 330.609 4.013 10 0 EIAERO COc1ccc([C@H]([NH3+])Cc2ccc(Cl)cc2)cc1Br ZINC000036943463 213125805 /nfs/dbraw/zinc/12/58/05/213125805.db2.gz NQRIVLXDPAJRSK-CQSZACIVSA-N 1 0 340.648 4.354 10 0 EIAERO COc1ccc([C@H]([NH3+])c2cc(F)cc(Br)c2)cc1Cl ZINC000037034342 213131934 /nfs/dbraw/zinc/13/19/34/213131934.db2.gz UBGLBFRAPHVUGX-AWEZNQCLSA-N 1 0 344.611 4.298 10 0 EIAERO CC[C@@H]([NH3+])Cc1ccccc1OCc1ccc(Br)s1 ZINC000037724659 213162875 /nfs/dbraw/zinc/16/28/75/213162875.db2.gz BZLDARGTWWSYBD-GFCCVEGCSA-N 1 0 340.286 4.369 10 0 EIAERO CCCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCN2CC)cc1Cl ZINC000020967536 212193844 /nfs/dbraw/zinc/19/38/44/212193844.db2.gz CNCXRDDSSKXBEJ-CQSZACIVSA-N 1 0 345.314 4.356 10 0 EIAERO Cc1nc2scc(-c3ccc(C(C)C)cc3)c2c(NCC[NH3+])n1 ZINC000020325441 212119479 /nfs/dbraw/zinc/11/94/79/212119479.db2.gz XWDKYNMERZTWFZ-UHFFFAOYSA-N 1 0 326.469 4.161 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])CC(F)(F)F ZINC000019967850 212091390 /nfs/dbraw/zinc/09/13/90/212091390.db2.gz LCUHIGFGRMHALW-QMMMGPOBSA-N 1 0 332.547 4.063 10 0 EIAERO [NH3+]C[C@H](Sc1ccc(F)cc1)c1ccccc1Br ZINC000043095814 213560198 /nfs/dbraw/zinc/56/01/98/213560198.db2.gz MKPCRIPEAGRUPF-AWEZNQCLSA-N 1 0 326.234 4.380 10 0 EIAERO CC[C@@H]([NH3+])[C@H](Sc1ccccn1)c1ccccc1Br ZINC000043095882 213560511 /nfs/dbraw/zinc/56/05/11/213560511.db2.gz KVYUIGLUEQUYPB-UKRRQHHQSA-N 1 0 337.286 4.415 10 0 EIAERO COc1cccc(S[C@@H](C[NH3+])c2ccccc2Br)c1 ZINC000043095787 213560743 /nfs/dbraw/zinc/56/07/43/213560743.db2.gz KGJQKYWOFICDKM-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO CCOc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1OC)[C@H]2[NH3+] ZINC000011849238 211257560 /nfs/dbraw/zinc/25/75/60/211257560.db2.gz WYNZJALDBXDNHJ-MOPGFXCFSA-N 1 0 327.424 4.049 10 0 EIAERO Cc1ccc(Cn2c3ccccc3nc2N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000095090029 218279187 /nfs/dbraw/zinc/27/91/87/218279187.db2.gz OVWOQIGXANQAJK-MSOLQXFVSA-N 1 0 334.467 4.075 10 0 EIAERO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000238853141 258001198 /nfs/dbraw/zinc/00/11/98/258001198.db2.gz ILMMOMVUQUFKMT-HTBDUDNFSA-N 1 0 346.515 4.445 10 0 EIAERO COc1cc2c(cc1O)[C@H](CCc1ccc(Cl)cc1)[N@H+](C)CC2 ZINC000001998271 563417659 /nfs/dbraw/zinc/41/76/59/563417659.db2.gz DSTWURHEHMZWEI-KRWDZBQOSA-N 1 0 331.843 4.216 10 0 in-vitro EIAERO CCCC[N@H+]1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251009 564117210 /nfs/dbraw/zinc/11/72/10/564117210.db2.gz LBHUKNFJJPZZNH-UHFFFAOYSA-N 1 0 335.245 4.480 10 0 EIAERO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)s1 ZINC000328603125 564136842 /nfs/dbraw/zinc/13/68/42/564136842.db2.gz DWVREGKMUFOSIY-GFCCVEGCSA-N 1 0 346.500 4.032 10 0 EIAERO O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000079626638 1046264769 /nfs/dbraw/zinc/26/47/69/1046264769.db2.gz UMMLWBWBZGXNBP-UHFFFAOYSA-N 1 0 349.478 4.446 10 0 EIAERO C[NH2+]C[C@H](OC1CCCCCC1)c1ccc(Br)cc1 ZINC000050501040 214057651 /nfs/dbraw/zinc/05/76/51/214057651.db2.gz KBNQFWQEENHYQS-INIZCTEOSA-N 1 0 326.278 4.449 10 0 EIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1ccc(F)cc1Br ZINC000052944888 214156203 /nfs/dbraw/zinc/15/62/03/214156203.db2.gz GMBSWVIVLJFHHH-AWEZNQCLSA-N 1 0 328.612 4.484 10 0 EIAERO COc1ccc([C@H]([NH3+])Cc2cccc(Cl)c2)cc1Br ZINC000052944445 214156465 /nfs/dbraw/zinc/15/64/65/214156465.db2.gz BPPNLWCHZGEIGP-CQSZACIVSA-N 1 0 340.648 4.354 10 0 EIAERO C[C@@H]1CCCC[C@H]1[N@H+](C)CCNCc1cc(Br)cs1 ZINC000053439271 214182725 /nfs/dbraw/zinc/18/27/25/214182725.db2.gz IAXTWWMMLPLAMS-IUODEOHRSA-N 1 0 345.350 4.111 10 0 EIAERO C[NH2+][C@H]1CCCCC[C@@H]1CN(C)Cc1cc(Br)cs1 ZINC000053873549 214202827 /nfs/dbraw/zinc/20/28/27/214202827.db2.gz SSVNVHYKGRCDGF-DOMZBBRYSA-N 1 0 345.350 4.111 10 0 EIAERO [NH3+][C@@H](Cc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000053816753 214200342 /nfs/dbraw/zinc/20/03/42/214200342.db2.gz PMHZLHCZQNHTCT-AWEZNQCLSA-N 1 0 328.612 4.484 10 0 EIAERO CN(CC[C@H]([NH3+])c1cccc(Br)c1)Cc1ccsc1 ZINC000053939772 214206626 /nfs/dbraw/zinc/20/66/26/214206626.db2.gz DCUPAIMWEKOHBV-HNNXBMFYSA-N 1 0 339.302 4.033 10 0 EIAERO COc1ccc(CC(C)(C)C[NH2+]C(C)(C)C)cc1Br ZINC000054638520 214247837 /nfs/dbraw/zinc/24/78/37/214247837.db2.gz TZKKCFKHIPNFJF-UHFFFAOYSA-N 1 0 328.294 4.415 10 0 EIAERO CC[C@@H](C)[N@H+](Cc1cccn1-c1nccs1)Cc1ccncc1 ZINC000055327374 214307940 /nfs/dbraw/zinc/30/79/40/214307940.db2.gz VMJYRGZDKUWTDI-OAHLLOKOSA-N 1 0 326.469 4.130 10 0 EIAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCC[C@@](O)(c1ccccc1)c1ccccn1 ZINC000003873867 210081401 /nfs/dbraw/zinc/08/14/01/210081401.db2.gz APUDBKTWDCXQJA-WOIUINJBSA-N 1 0 338.495 4.361 10 0 in-man EIAERO C[NH2+][C@@H](C)c1ccccc1N(C)Cc1csc(Br)c1 ZINC000042362634 213496803 /nfs/dbraw/zinc/49/68/03/213496803.db2.gz CFUGHOBLMZHNRG-NSHDSACASA-N 1 0 339.302 4.427 10 0 EIAERO C[C@H]1CCC[C@H]([NH2+]CCOc2ccc(Br)cc2F)C1 ZINC000104001354 219337441 /nfs/dbraw/zinc/33/74/41/219337441.db2.gz KOKAEVAUWQLQNA-AAEUAGOBSA-N 1 0 330.241 4.135 10 0 EIAERO CC(C)[NH2+]C[C@H](CCOc1cccc(Br)c1)C(C)C ZINC000104015870 219339031 /nfs/dbraw/zinc/33/90/31/219339031.db2.gz DJWWTASGDSWALR-AWEZNQCLSA-N 1 0 328.294 4.488 10 0 EIAERO CCC[C@](C)(C[NH2+]CC)Cc1ccc(OC)c(Br)c1 ZINC000104012479 219339262 /nfs/dbraw/zinc/33/92/62/219339262.db2.gz HLIOTHKLHWLUMT-INIZCTEOSA-N 1 0 328.294 4.416 10 0 EIAERO CC(C)CCN(C)c1cc(Br)ccc1C[NH2+]C(C)C ZINC000104156570 219354197 /nfs/dbraw/zinc/35/41/97/219354197.db2.gz IVCAMWQNKKGJFD-UHFFFAOYSA-N 1 0 327.310 4.429 10 0 EIAERO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC000068593233 215321873 /nfs/dbraw/zinc/32/18/73/215321873.db2.gz ILMMOMVUQUFKMT-BCDMZGRMSA-N 1 0 346.515 4.445 10 0 EIAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040687582 213368743 /nfs/dbraw/zinc/36/87/43/213368743.db2.gz JYQPSAGXPXQMQF-UHFFFAOYSA-N 1 0 347.209 4.248 10 0 EIAERO C[NH+](C)CCCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040404296 213299434 /nfs/dbraw/zinc/29/94/34/213299434.db2.gz YKALZAAULHPFQX-UHFFFAOYSA-N 1 0 343.858 4.220 10 0 EIAERO CCc1nc2cc(C(F)(F)F)ccc2n1CCC[NH+](CC)CC ZINC000040403509 213299005 /nfs/dbraw/zinc/29/90/05/213299005.db2.gz ZYTSOEKBTAEMNO-UHFFFAOYSA-N 1 0 327.394 4.349 10 0 EIAERO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000038961923 213230643 /nfs/dbraw/zinc/23/06/43/213230643.db2.gz IUDLHQAPFBVUHN-UHFFFAOYSA-N 1 0 337.463 4.075 10 0 EIAERO CCc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(Br)c2)cc1 ZINC000037982281 213182081 /nfs/dbraw/zinc/18/20/81/213182081.db2.gz LPZFBVFSMBLYNC-ACJLOTCBSA-N 1 0 348.284 4.396 10 0 EIAERO CCOc1cc(Br)c([C@@H]([NH3+])[C@@H](C)CC)cc1OCC ZINC000037332796 213140228 /nfs/dbraw/zinc/14/02/28/213140228.db2.gz JTPIYLLFIIYDNG-BONVTDFDSA-N 1 0 330.266 4.292 10 0 EIAERO [NH3+][C@H](c1cc(Br)sc1Br)c1ccccc1 ZINC000036962057 213127571 /nfs/dbraw/zinc/12/75/71/213127571.db2.gz FULSTNYPMRAJMR-JTQLQIEISA-N 1 0 347.075 4.321 10 0 EIAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccccc1Br ZINC000035549096 213037459 /nfs/dbraw/zinc/03/74/59/213037459.db2.gz RAAQRBZOZPYICD-HNNXBMFYSA-N 1 0 326.184 4.426 10 0 EIAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(OC)c(Br)c1 ZINC000035508131 213034407 /nfs/dbraw/zinc/03/44/07/213034407.db2.gz OAUBXVUZWQSYQU-CQSZACIVSA-N 1 0 326.259 4.218 10 0 EIAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccc(OC)c(C)c1 ZINC000035506095 213034153 /nfs/dbraw/zinc/03/41/53/213034153.db2.gz HTFCEZRUFYSPRG-CQSZACIVSA-N 1 0 326.259 4.136 10 0 EIAERO CC[NH2+][C@@H](c1ccsc1)c1cc(Br)ccc1OC ZINC000035508728 213033894 /nfs/dbraw/zinc/03/38/94/213033894.db2.gz WGQJSKFLDBURNW-AWEZNQCLSA-N 1 0 326.259 4.218 10 0 EIAERO C[NH2+][C@H](c1cc(F)cc(Br)c1)c1ccc(F)cc1F ZINC000035491578 213032756 /nfs/dbraw/zinc/03/27/56/213032756.db2.gz TUAMMPWKDPHGTK-CQSZACIVSA-N 1 0 330.147 4.175 10 0 EIAERO CC[NH2+][C@H](c1ccc(Br)cc1)c1cc(F)cc(F)c1 ZINC000035539144 213036238 /nfs/dbraw/zinc/03/62/38/213036238.db2.gz QZBDEQGIAKHXBU-OAHLLOKOSA-N 1 0 326.184 4.426 10 0 EIAERO C[NH2+][C@@H](c1ccsc1)c1cc(Cl)cc(Br)c1OC ZINC000035457931 213030291 /nfs/dbraw/zinc/03/02/91/213030291.db2.gz FBIONMPZXNGSJO-LBPRGKRZSA-N 1 0 346.677 4.481 10 0 EIAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1cc(Br)ccc1OC ZINC000035456687 213030074 /nfs/dbraw/zinc/03/00/74/213030074.db2.gz UGSBQTPGQZTLIF-HNNXBMFYSA-N 1 0 340.648 4.420 10 0 EIAERO C[NH2+][C@H](c1ccc(Br)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462160 213029986 /nfs/dbraw/zinc/02/99/86/213029986.db2.gz OGPATYXFFXXWFD-OAHLLOKOSA-N 1 0 340.648 4.420 10 0 EIAERO [NH3+][C@@H](c1ccc(Br)cc1)c1ccc(OC(F)F)cc1 ZINC000037308786 213139302 /nfs/dbraw/zinc/13/93/02/213139302.db2.gz RINNVTSNUVNFDL-ZDUSSCGKSA-N 1 0 328.156 4.099 10 0 EIAERO [NH3+]CCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000037720788 213163329 /nfs/dbraw/zinc/16/33/29/213163329.db2.gz MGRUJKGDUJJDOC-UHFFFAOYSA-N 1 0 340.648 4.183 10 0 EIAERO Clc1ccc(CCN2CCC[C@H]([NH+]3CCCC3)C2)cc1Cl ZINC000022935722 212338126 /nfs/dbraw/zinc/33/81/26/212338126.db2.gz XZHUMOZFKIRLFW-HNNXBMFYSA-N 1 0 327.299 4.096 10 0 EIAERO Fc1ccccc1CN1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000022853629 212328815 /nfs/dbraw/zinc/32/88/15/212328815.db2.gz QLRVVIILPGOPNF-SFHVURJKSA-N 1 0 338.426 4.326 10 0 EIAERO NC(=[NH2+])c1ccccc1Oc1ccc(Cl)cc1Br ZINC000020076448 212099855 /nfs/dbraw/zinc/09/98/55/212099855.db2.gz YVFBVCGDRXLMAO-UHFFFAOYSA-N 1 0 325.593 4.179 10 0 EIAERO [NH3+][C@@H](c1cc(Br)ccc1F)c1c(F)cc(F)cc1F ZINC000019971827 212092089 /nfs/dbraw/zinc/09/20/89/212092089.db2.gz FWLFQHRCIRHEGC-ZDUSSCGKSA-N 1 0 334.110 4.054 10 0 EIAERO CC(C)[NH+](CCN[C@H](C)c1ccc(Br)cc1)C(C)C ZINC000019901002 212080722 /nfs/dbraw/zinc/08/07/22/212080722.db2.gz WFOSFPYUZASILN-CQSZACIVSA-N 1 0 327.310 4.219 10 0 EIAERO C[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000019777407 212065142 /nfs/dbraw/zinc/06/51/42/212065142.db2.gz NTHDFOVGTBDFEO-UHFFFAOYSA-N 1 0 326.223 4.300 10 0 EIAERO COc1cccc([C@H](C[NH3+])Sc2ccc(Br)cc2)c1 ZINC000043032538 213554608 /nfs/dbraw/zinc/55/46/08/213554608.db2.gz HQFIASLXTJUCHI-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)c1cccs1 ZINC000049598936 214021438 /nfs/dbraw/zinc/02/14/38/214021438.db2.gz QNDUKFCEHDDRLS-LBPRGKRZSA-N 1 0 326.259 4.022 10 0 EIAERO [NH3+][C@H](Cc1ccc(F)c(Br)c1)c1cccc(Cl)c1 ZINC000049598972 214021763 /nfs/dbraw/zinc/02/17/63/214021763.db2.gz GKIIHEKINYPNJV-CQSZACIVSA-N 1 0 328.612 4.484 10 0 EIAERO CC(C)(C)OC(=O)N1CCC2(C[C@H]([NH3+])c3ccc(Cl)cc32)CC1 ZINC000079027386 217176879 /nfs/dbraw/zinc/17/68/79/217176879.db2.gz SLZALFNATPERQB-HNNXBMFYSA-N 1 0 336.863 4.012 10 0 EIAERO CC(C)C[C@H](O)c1ccc2c(c1)C[N@@H+](CCc1ccccc1)CCO2 ZINC000011882474 211264151 /nfs/dbraw/zinc/26/41/51/211264151.db2.gz VVVHJUNQTPTRNW-NRFANRHFSA-N 1 0 339.479 4.203 10 0 EIAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)c1cncc(Br)c1 ZINC000011832141 211254666 /nfs/dbraw/zinc/25/46/66/211254666.db2.gz YGGRHHNXMDWSFO-GFCCVEGCSA-N 1 0 332.028 4.199 10 0 EIAERO C[C@@H]1[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238853145 258001167 /nfs/dbraw/zinc/00/11/67/258001167.db2.gz ILMMOMVUQUFKMT-OREBXVKISA-N 1 0 346.515 4.445 10 0 EIAERO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000036992153 525660798 /nfs/dbraw/zinc/66/07/98/525660798.db2.gz LEAQSEGLMFCMOA-GHMZBOCLSA-N 1 0 343.901 4.217 10 0 EIAERO COCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013722410 563717128 /nfs/dbraw/zinc/71/71/28/563717128.db2.gz JSHROJLSGUGKKB-UHFFFAOYSA-N 1 0 337.822 4.184 10 0 EIAERO COCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000013722668 563717174 /nfs/dbraw/zinc/71/71/74/563717174.db2.gz KWCXIGPJUGJXTG-UHFFFAOYSA-N 1 0 349.858 4.054 10 0 EIAERO Cc1ccc(-c2ccc(C[NH2+]CCCN3CCCC3=O)o2)cc1Cl ZINC000013728008 563719160 /nfs/dbraw/zinc/71/91/60/563719160.db2.gz WBOOOFMATOFAGE-UHFFFAOYSA-N 1 0 346.858 4.011 10 0 EIAERO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1ccccc1Cn1cccn1 ZINC000063844849 563956081 /nfs/dbraw/zinc/95/60/81/563956081.db2.gz BKZMCKPODQNGQS-GOSISDBHSA-N 1 0 334.467 4.127 10 0 EIAERO FC1(F)CCC(CC[NH2+]Cc2ccc(Br)nc2)CC1 ZINC000725269067 563987593 /nfs/dbraw/zinc/98/75/93/563987593.db2.gz JVGKWWNJTRRODG-UHFFFAOYSA-N 1 0 333.220 4.149 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cc(Cl)ccc1Cl ZINC000675055200 564084342 /nfs/dbraw/zinc/08/43/42/564084342.db2.gz RCJSZGCTBFDYBG-BXUZGUMPSA-N 1 0 345.270 4.393 10 0 EIAERO c1ccc(CC[N@@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)cc1 ZINC000065372726 564105593 /nfs/dbraw/zinc/10/55/93/564105593.db2.gz HWGDLRMIRZSFIB-OAQYLSRUSA-N 1 0 329.447 4.176 10 0 EIAERO Cc1cc(C[N@H+]2CCC[C@@H](C)C2)c(C)cc1I ZINC000675075908 564113286 /nfs/dbraw/zinc/11/32/86/564113286.db2.gz WVPIDWLBXDORQJ-LLVKDONJSA-N 1 0 343.252 4.140 10 0 EIAERO C[N@H+](CCC1CCOCC1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000120486812 1032330231 /nfs/dbraw/zinc/33/02/31/1032330231.db2.gz JLVYHMCZKHZDFI-UHFFFAOYSA-N 1 0 334.847 4.244 10 0 EIAERO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788764 1039593069 /nfs/dbraw/zinc/59/30/69/1039593069.db2.gz OLGBBZRWJYSUOP-AWEZNQCLSA-N 1 0 342.443 4.052 10 0 EIAERO CC(C)(C)C1CC[NH+](Cc2ccc(N)cc2Br)CC1 ZINC000050345455 214052771 /nfs/dbraw/zinc/05/27/71/214052771.db2.gz WQSGJXGSQKZMOI-UHFFFAOYSA-N 1 0 325.294 4.289 10 0 EIAERO CC1(C)Cc2nc(-c3ccc(Br)o3)sc2[C@H]([NH3+])C1 ZINC000050335450 214053744 /nfs/dbraw/zinc/05/37/44/214053744.db2.gz SYHRZPUGFKIQAK-SSDOTTSWSA-N 1 0 327.247 4.138 10 0 EIAERO C[NH2+]C[C@H](OC1CCCCCC1)c1cccc(Br)c1 ZINC000050501077 214058390 /nfs/dbraw/zinc/05/83/90/214058390.db2.gz PHQFZYOFEZJFCS-INIZCTEOSA-N 1 0 326.278 4.449 10 0 EIAERO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1Br ZINC000019913072 212083990 /nfs/dbraw/zinc/08/39/90/212083990.db2.gz NNJCMYPCIWDPEG-GJZGRUSLSA-N 1 0 339.321 4.364 10 0 EIAERO C[C@H]1CCCC[C@H]1[NH2+]CCN(C)Cc1cc(Br)cs1 ZINC000053429365 214182155 /nfs/dbraw/zinc/18/21/55/214182155.db2.gz YARPULDCEWXYFT-SWLSCSKDSA-N 1 0 345.350 4.111 10 0 EIAERO CCC(CC)[NH2+]C[C@H](C)N(C)Cc1csc(Br)c1 ZINC000053497378 214185722 /nfs/dbraw/zinc/18/57/22/214185722.db2.gz CVBMEPMQZAOOAM-NSHDSACASA-N 1 0 333.339 4.109 10 0 EIAERO CCCC[N@H+](CC)CC[C@H](NC)c1ccc(Br)cc1 ZINC000053938313 214206886 /nfs/dbraw/zinc/20/68/86/214206886.db2.gz BACNPGCZUJPZBL-INIZCTEOSA-N 1 0 327.310 4.222 10 0 EIAERO CC[N@H+](CC[C@H](O)c1cccc(Br)c1)C1CCCC1 ZINC000053972825 214209139 /nfs/dbraw/zinc/20/91/39/214209139.db2.gz CUBFBTYEQXACJT-INIZCTEOSA-N 1 0 326.278 4.137 10 0 EIAERO CC[C@H]1CCC(=O)[C@@H](C[N@H+](C)Cc2csc(Br)c2)C1 ZINC000053930175 214204505 /nfs/dbraw/zinc/20/45/05/214204505.db2.gz LFJCKJIMCCCFJE-WCQYABFASA-N 1 0 344.318 4.338 10 0 EIAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1cccc(F)c1F ZINC000054205211 214224646 /nfs/dbraw/zinc/22/46/46/214224646.db2.gz XLUSDOMGPZTTPN-CYBMUJFWSA-N 1 0 332.213 4.488 10 0 EIAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1cccc(Br)c1 ZINC000043105221 213561322 /nfs/dbraw/zinc/56/13/22/213561322.db2.gz UQCWENBQGUCQQZ-ABAIWWIYSA-N 1 0 339.302 4.031 10 0 EIAERO C[NH2+][C@H](C)c1ccccc1N(C)Cc1csc(Br)c1 ZINC000042362638 213497223 /nfs/dbraw/zinc/49/72/23/213497223.db2.gz CFUGHOBLMZHNRG-LLVKDONJSA-N 1 0 339.302 4.427 10 0 EIAERO CCC[NH2+][C@H](C)c1oc2c(cccc2I)c1C ZINC000103933188 219330204 /nfs/dbraw/zinc/33/02/04/219330204.db2.gz IYQAAFIPKNLCGB-SNVBAGLBSA-N 1 0 343.208 4.406 10 0 EIAERO CCC[NH2+][C@H](C1=CCCC1)c1ccc(I)cc1 ZINC000104006509 219337937 /nfs/dbraw/zinc/33/79/37/219337937.db2.gz QERVEJIOJFLSIB-OAHLLOKOSA-N 1 0 341.236 4.442 10 0 EIAERO CCC[NH2+]C[C@H](CCOc1ccc(Br)cc1)C(C)C ZINC000104012260 219339210 /nfs/dbraw/zinc/33/92/10/219339210.db2.gz VQPVZQZDZTWMCV-AWEZNQCLSA-N 1 0 328.294 4.490 10 0 EIAERO CCC1(CC)CCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1 ZINC000104160456 219354179 /nfs/dbraw/zinc/35/41/79/219354179.db2.gz NXVWBAYDLQHZRS-ZDUSSCGKSA-N 1 0 345.350 4.413 10 0 EIAERO CC(C)C[NH2+]Cc1ccc(Br)cc1N(C)CC1CC1 ZINC000104167575 219354947 /nfs/dbraw/zinc/35/49/47/219354947.db2.gz QUZNRJFIIKYSLZ-UHFFFAOYSA-N 1 0 325.294 4.041 10 0 EIAERO C[NH2+][C@H](Cc1sccc1Br)c1cc(F)ccc1F ZINC000104239592 219364062 /nfs/dbraw/zinc/36/40/62/219364062.db2.gz XQMVSJRRTYRJNF-GFCCVEGCSA-N 1 0 332.213 4.292 10 0 EIAERO CC[NH2+]Cc1cccc(Br)c1OCCc1cccs1 ZINC000104264802 219366251 /nfs/dbraw/zinc/36/62/51/219366251.db2.gz ZGEHUSHNVAHHJD-UHFFFAOYSA-N 1 0 340.286 4.242 10 0 EIAERO COc1ccc([C@H]([NH3+])c2sccc2Br)c(Cl)c1 ZINC000104291454 219370904 /nfs/dbraw/zinc/37/09/04/219370904.db2.gz RCVBBFGFNNSJCS-NSHDSACASA-N 1 0 332.650 4.221 10 0 EIAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(OCc2ccccc2)cc1 ZINC000039789195 213241732 /nfs/dbraw/zinc/24/17/32/213241732.db2.gz GKKAIATXNXSXMQ-NRFANRHFSA-N 1 0 326.484 4.387 10 0 EIAERO CN(C)[C@H](CC[NH+](C)C)N1c2ccccc2Sc2ccccc21 ZINC000038609725 213217244 /nfs/dbraw/zinc/21/72/44/213217244.db2.gz LHXFABHFWZZULJ-IBGZPJMESA-N 1 0 327.497 4.129 10 0 EIAERO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)o1 ZINC000036098038 213064228 /nfs/dbraw/zinc/06/42/28/213064228.db2.gz IYSHDOGTORKTNV-FQEVSTJZSA-N 1 0 345.483 4.014 10 0 EIAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccc(OC)cc1C ZINC000035468337 213031001 /nfs/dbraw/zinc/03/10/01/213031001.db2.gz IZHNWUFVWHYDJW-CQSZACIVSA-N 1 0 326.259 4.136 10 0 EIAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccc(OC)c(Cl)c1 ZINC000035461653 213030306 /nfs/dbraw/zinc/03/03/06/213030306.db2.gz GKQUGAPNMYLJQF-CYBMUJFWSA-N 1 0 346.677 4.481 10 0 EIAERO Nc1cccc(C[N@H+](Cc2ccc(Br)s2)C2CC2)c1 ZINC000035366287 213023366 /nfs/dbraw/zinc/02/33/66/213023366.db2.gz UXUQKMCHGAXVSB-UHFFFAOYSA-N 1 0 337.286 4.257 10 0 EIAERO CCC[NH2+][C@H](CCC)c1cc(OC)c(OC)cc1Br ZINC000035582970 213039148 /nfs/dbraw/zinc/03/91/48/213039148.db2.gz FNOZNSCKJIMMCW-CYBMUJFWSA-N 1 0 330.266 4.307 10 0 EIAERO C[NH2+]Cc1cc(F)ccc1Oc1ccc(F)cc1Br ZINC000037237465 213135776 /nfs/dbraw/zinc/13/57/76/213135776.db2.gz SVAGYZQANMNLOI-UHFFFAOYSA-N 1 0 328.156 4.239 10 0 EIAERO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(Br)s1)N(C)C ZINC000038002138 213185730 /nfs/dbraw/zinc/18/57/30/213185730.db2.gz VRQPWZGCYSRDBF-NWDGAFQWSA-N 1 0 333.339 4.138 10 0 EIAERO CCCOc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000020925545 212188183 /nfs/dbraw/zinc/18/81/83/212188183.db2.gz FPLQAGRUAXIBHG-UHFFFAOYSA-N 1 0 333.815 4.147 10 0 EIAERO COc1ccc([C@H]([NH3+])Cc2ccc(Br)cc2)cc1Cl ZINC000020521875 212143891 /nfs/dbraw/zinc/14/38/91/212143891.db2.gz IQDMBZJZCYXRRS-CQSZACIVSA-N 1 0 340.648 4.354 10 0 EIAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000020486332 212137497 /nfs/dbraw/zinc/13/74/97/212137497.db2.gz QFWKESBGNGTBBZ-ZDUSSCGKSA-N 1 0 339.302 4.033 10 0 EIAERO CC[NH+](CC)CCN[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000019919550 212083954 /nfs/dbraw/zinc/08/39/54/212083954.db2.gz ORSOSLZAMAJYMM-LBPRGKRZSA-N 1 0 339.277 4.188 10 0 EIAERO CC(C)[NH+](CCN[C@@H](C)c1ccccc1Br)C(C)C ZINC000019901050 212080924 /nfs/dbraw/zinc/08/09/24/212080924.db2.gz YQHIPATXTGWGIV-AWEZNQCLSA-N 1 0 327.310 4.219 10 0 EIAERO [NH3+][C@H]1CN(Cc2ccc(Cl)cc2)c2ccc(Br)cc21 ZINC000019795877 212068861 /nfs/dbraw/zinc/06/88/61/212068861.db2.gz QKJBHRSNQDKLBS-AWEZNQCLSA-N 1 0 337.648 4.123 10 0 EIAERO [NH3+]C[C@@H](Sc1ccc(F)cc1)c1ccccc1Br ZINC000043095812 213560297 /nfs/dbraw/zinc/56/02/97/213560297.db2.gz MKPCRIPEAGRUPF-CQSZACIVSA-N 1 0 326.234 4.380 10 0 EIAERO CC(C)(C)CC(C)(C)N1CC(O)C[N@@H+](C(C)(C)CC(C)(C)C)C1 ZINC000019319469 212015363 /nfs/dbraw/zinc/01/53/63/212015363.db2.gz SITWMFMTHVSDBQ-UHFFFAOYSA-N 1 0 326.569 4.352 10 0 EIAERO C[NH2+][C@@H](Cc1cc(Br)ccc1OC)c1ccsc1 ZINC000049599348 214021581 /nfs/dbraw/zinc/02/15/81/214021581.db2.gz VBYKNZBXDXMEJC-ZDUSSCGKSA-N 1 0 326.259 4.022 10 0 EIAERO [NH3+]CCSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1 ZINC000084619784 217621450 /nfs/dbraw/zinc/62/14/50/217621450.db2.gz ATSHHVDHSHSISM-UHFFFAOYSA-N 1 0 349.499 4.163 10 0 EIAERO C/C=C(\C)C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2 ZINC000012198487 211318680 /nfs/dbraw/zinc/31/86/80/211318680.db2.gz RFGLZYYOHOCSKX-ALPJNHHUSA-N 1 0 346.490 4.088 10 0 EIAERO COc1cccc(C[C@H](C)[NH3+])c1Oc1cc(-c2ccccc2)nc(C)n1 ZINC000011849546 211257955 /nfs/dbraw/zinc/25/79/55/211257955.db2.gz NFBLCJVNEFRFLD-AWEZNQCLSA-N 1 0 349.434 4.143 10 0 EIAERO COCC[NH2+]Cc1c(C)n(Cc2ccccc2Cl)c2ccccc21 ZINC000010315649 211163157 /nfs/dbraw/zinc/16/31/57/211163157.db2.gz SUFSPXKQUWDYFQ-UHFFFAOYSA-N 1 0 342.870 4.387 10 0 EIAERO CC(=O)c1nc2ccccc2n1C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095082704 218275167 /nfs/dbraw/zinc/27/51/67/218275167.db2.gz ZOYOMJJFDUHFQE-LJQANCHMSA-N 1 0 347.462 4.294 10 0 EIAERO Cc1ccc(Cn2c3ccccc3nc2N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000095090026 218279585 /nfs/dbraw/zinc/27/95/85/218279585.db2.gz OVWOQIGXANQAJK-ZWKOTPCHSA-N 1 0 334.467 4.075 10 0 EIAERO C[NH+](C)CCCSc1ccccc1NC(=O)/C=C\c1ccccc1 ZINC000013719795 560220102 /nfs/dbraw/zinc/22/01/02/560220102.db2.gz RSUVYMGADVXGOU-YPKPFQOOSA-N 1 0 340.492 4.382 10 0 in-vitro EIAERO CCCCOCCC[NH2+]Cc1cc(Br)ccc1OCC ZINC000013719840 563716075 /nfs/dbraw/zinc/71/60/75/563716075.db2.gz CHHSCMDPIJNTSF-UHFFFAOYSA-N 1 0 344.293 4.144 10 0 EIAERO CCOc1c(C[NH2+]CCc2ccccc2OC)cc(Cl)cc1OC ZINC000013719354 563716079 /nfs/dbraw/zinc/71/60/79/563716079.db2.gz BQPHBLVUIGXBGV-UHFFFAOYSA-N 1 0 349.858 4.088 10 0 EIAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cc(Cl)ccc1Cl ZINC000675055206 564084357 /nfs/dbraw/zinc/08/43/57/564084357.db2.gz RCJSZGCTBFDYBG-RISCZKNCSA-N 1 0 345.270 4.393 10 0 EIAERO Cc1cc(C(C)(C)C)ccc1O[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616570569 564177363 /nfs/dbraw/zinc/17/73/63/564177363.db2.gz SSWZLSWONKYBQD-GFCCVEGCSA-N 1 0 325.321 4.196 10 0 EIAERO Cc1cnn(CCCCC[NH+]2CCC(c3nc(C)cs3)CC2)c1 ZINC000111211099 1031329828 /nfs/dbraw/zinc/32/98/28/1031329828.db2.gz FYLWAKMVICRIPE-UHFFFAOYSA-N 1 0 332.517 4.006 10 0 EIAERO Cc1csc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000127695099 1031701983 /nfs/dbraw/zinc/70/19/83/1031701983.db2.gz QOCYWERFGPLTNG-INIZCTEOSA-N 1 0 338.480 4.221 10 0 EIAERO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000129107945 1031778675 /nfs/dbraw/zinc/77/86/75/1031778675.db2.gz HARIDRUXVXPYCH-ZBFHGGJFSA-N 1 0 342.468 4.182 10 0 EIAERO C[C@]([NH3+])(Cc1ccc(F)cc1F)c1ccccc1Br ZINC000050885600 214072584 /nfs/dbraw/zinc/07/25/84/214072584.db2.gz MWVPKWJGWQVKPO-HNNXBMFYSA-N 1 0 326.184 4.144 10 0 EIAERO C[NH2+][C@@H](Cc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000050885886 214071967 /nfs/dbraw/zinc/07/19/67/214071967.db2.gz OGUCXSWSUMJYKB-HNNXBMFYSA-N 1 0 326.184 4.231 10 0 EIAERO CC[NH2+][C@H](C)c1ccc(-c2ccccc2I)o1 ZINC000052924338 214155349 /nfs/dbraw/zinc/15/53/49/214155349.db2.gz DGNVSCWBGGSRKT-SNVBAGLBSA-N 1 0 341.192 4.222 10 0 EIAERO C[C@@H]1CCCC[C@H]1[NH2+]CCN(C)Cc1cc(Br)cs1 ZINC000053429362 214183207 /nfs/dbraw/zinc/18/32/07/214183207.db2.gz YARPULDCEWXYFT-IUODEOHRSA-N 1 0 345.350 4.111 10 0 EIAERO CCCC[N@H+](CC[C@H](N)c1cccc(Br)c1)C1CC1 ZINC000053940864 214205487 /nfs/dbraw/zinc/20/54/87/214205487.db2.gz QECNZJVJEWWPOK-INIZCTEOSA-N 1 0 325.294 4.104 10 0 EIAERO C[N@H+](CC[C@@H](N)c1ccccc1Br)C1CCCCC1 ZINC000054016362 214210749 /nfs/dbraw/zinc/21/07/49/214210749.db2.gz LZQCOVZZFOPTLS-MRXNPFEDSA-N 1 0 325.294 4.104 10 0 EIAERO Cc1c([C@@H](C)[NH2+]Cc2ccc3nsnc3c2)cnn1-c1ccccc1 ZINC000055271303 214299421 /nfs/dbraw/zinc/29/94/21/214299421.db2.gz BXJGFDFWOZGRRU-CYBMUJFWSA-N 1 0 349.463 4.036 10 0 EIAERO c1ccc(CCC[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)cc1 ZINC000055282269 214302053 /nfs/dbraw/zinc/30/20/53/214302053.db2.gz SFRDLXKQUUCFRZ-HSZRJFAPSA-N 1 0 349.522 4.002 10 0 EIAERO CC[NH2+][C@H](Cc1ccc(F)c(Br)c1)CC(F)(F)F ZINC000049599963 214021309 /nfs/dbraw/zinc/02/13/09/214021309.db2.gz JHHMXYLTAUWSJC-SECBINFHSA-N 1 0 328.147 4.061 10 0 EIAERO CCn1c2ccc(F)cc2c(C[NH2+]CCOC)c1-c1cccs1 ZINC000049453986 214009261 /nfs/dbraw/zinc/00/92/61/214009261.db2.gz RCEPLHWBBSPVCR-UHFFFAOYSA-N 1 0 332.444 4.265 10 0 EIAERO C[NH+](C)CCCOc1nn(Cc2ccccc2)c2cccc(Cl)c21 ZINC000003643095 210070669 /nfs/dbraw/zinc/07/06/69/210070669.db2.gz WFYZBSNMGVZMJR-UHFFFAOYSA-N 1 0 343.858 4.069 10 0 EIAERO C[C@H]([NH3+])[C@H](SCc1ccco1)c1ccc(Br)cc1 ZINC000042959306 213546133 /nfs/dbraw/zinc/54/61/33/213546133.db2.gz YRUZMYVFGKHEMG-HZMBPMFUSA-N 1 0 326.259 4.364 10 0 EIAERO CC[C@](COCc1ccc(OC)c(OC)c1)(c1cccs1)[NH+](C)C ZINC000067854456 215231968 /nfs/dbraw/zinc/23/19/68/215231968.db2.gz UTDQAOOOPINNRR-IBGZPJMESA-N 1 0 349.496 4.149 10 0 EIAERO CCC[NH2+][C@@H](Cc1cc(Br)ccc1OC)CC(C)C ZINC000103951542 219332270 /nfs/dbraw/zinc/33/22/70/219332270.db2.gz LIXUMJQGIREVNY-OAHLLOKOSA-N 1 0 328.294 4.415 10 0 EIAERO CCCC[N@@H+]([C@@H](CN)c1ccc(Br)cc1)[C@@H](C)CC ZINC000103933458 219330307 /nfs/dbraw/zinc/33/03/07/219330307.db2.gz YHHLAEHTMQFEGR-BBRMVZONSA-N 1 0 327.310 4.350 10 0 EIAERO CCCC(C[NH3+])(CCC)N(C)Cc1cccc(Br)c1 ZINC000103984529 219335961 /nfs/dbraw/zinc/33/59/61/219335961.db2.gz IQNFXBJCOKXWIX-UHFFFAOYSA-N 1 0 327.310 4.179 10 0 EIAERO CC(C)C[NH2+]C[C@H](Oc1ccc(Br)cc1F)C(C)C ZINC000104008728 219338407 /nfs/dbraw/zinc/33/84/07/219338407.db2.gz QJAAGWLPHDKNKM-HNNXBMFYSA-N 1 0 332.257 4.237 10 0 EIAERO Cc1ccc(OCC[NH2+]CC2CCCCC2)c(Br)c1 ZINC000104014867 219339215 /nfs/dbraw/zinc/33/92/15/219339215.db2.gz KHBQOZBSCIJMJJ-UHFFFAOYSA-N 1 0 326.278 4.306 10 0 EIAERO CCC[C@@](C)(C[NH2+]CC)Cc1ccc(OC)c(Br)c1 ZINC000104012484 219339274 /nfs/dbraw/zinc/33/92/74/219339274.db2.gz HLIOTHKLHWLUMT-MRXNPFEDSA-N 1 0 328.294 4.416 10 0 EIAERO CC[NH2+][C@H](c1cccc(I)c1)C1=CCCCC1 ZINC000104011013 219339549 /nfs/dbraw/zinc/33/95/49/219339549.db2.gz PJRHUDHDNMBXGF-HNNXBMFYSA-N 1 0 341.236 4.442 10 0 EIAERO CCC[NH2+][C@@H](CCCOc1ccc(Br)cc1)C1CC1 ZINC000104054766 219342365 /nfs/dbraw/zinc/34/23/65/219342365.db2.gz AFPVEOZWCMIRCT-INIZCTEOSA-N 1 0 326.278 4.386 10 0 EIAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000002476191 209855245 /nfs/dbraw/zinc/85/52/45/209855245.db2.gz GKKRJVCGUHCKPA-MRXNPFEDSA-N 1 0 327.896 4.022 10 0 EIAERO C[C@@H]1C(NC(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592749 215321202 /nfs/dbraw/zinc/32/12/02/215321202.db2.gz YASBDTKCNDHYRQ-SABWUSEZSA-N 1 0 346.515 4.445 10 0 EIAERO CCCCN(CC)c1cc(Br)ccc1C[C@@H]([NH3+])CC ZINC000104256351 219366597 /nfs/dbraw/zinc/36/65/97/219366597.db2.gz AGNXPYVEJLCRQW-HNNXBMFYSA-N 1 0 327.310 4.355 10 0 EIAERO [NH3+]CCc1ccc(Br)cc1Sc1cc(F)ccc1F ZINC000104301000 219372107 /nfs/dbraw/zinc/37/21/07/219372107.db2.gz MNCFGXLISNQJEN-UHFFFAOYSA-N 1 0 344.224 4.380 10 0 EIAERO CC(C)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000040456572 213304946 /nfs/dbraw/zinc/30/49/46/213304946.db2.gz MLYJCHYYPVIGHW-SFHVURJKSA-N 1 0 332.488 4.154 10 0 EIAERO CN(C)[C@@H](CC[NH+](C)C)N1c2ccccc2Sc2ccccc21 ZINC000038609723 213217748 /nfs/dbraw/zinc/21/77/48/213217748.db2.gz LHXFABHFWZZULJ-LJQANCHMSA-N 1 0 327.497 4.129 10 0 EIAERO C[C@]([NH2+]C1CCCCCC1)(C(N)=O)c1cc(Cl)ccc1Cl ZINC000037972323 213177445 /nfs/dbraw/zinc/17/74/45/213177445.db2.gz JGXJTYRFTYZTGK-MRXNPFEDSA-N 1 0 329.271 4.006 10 0 EIAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)c1ccccc1Br ZINC000035549099 213037629 /nfs/dbraw/zinc/03/76/29/213037629.db2.gz RAAQRBZOZPYICD-OAHLLOKOSA-N 1 0 326.184 4.426 10 0 EIAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1cc(Br)ccc1F ZINC000035494428 213032315 /nfs/dbraw/zinc/03/23/15/213032315.db2.gz OCGBODUXHPCOMG-AWEZNQCLSA-N 1 0 330.147 4.175 10 0 EIAERO C[NH2+][C@H](c1ccc(F)c(F)c1)c1cc(Br)ccc1F ZINC000035494431 213032008 /nfs/dbraw/zinc/03/20/08/213032008.db2.gz OCGBODUXHPCOMG-CQSZACIVSA-N 1 0 330.147 4.175 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1cccs1 ZINC000035379857 213024538 /nfs/dbraw/zinc/02/45/38/213024538.db2.gz KDPRQFITYJQIHC-LLVKDONJSA-N 1 0 332.650 4.221 10 0 EIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(Br)ccc1OC ZINC000035456734 213030115 /nfs/dbraw/zinc/03/01/15/213030115.db2.gz YOYOTJNZKUQLBE-OAHLLOKOSA-N 1 0 340.648 4.420 10 0 EIAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(Br)ccc1OC ZINC000035455973 213029731 /nfs/dbraw/zinc/02/97/31/213029731.db2.gz SLRCDOHOUZIIRQ-AWEZNQCLSA-N 1 0 326.259 4.136 10 0 EIAERO [NH3+]CCc1cc(Cl)ccc1OCc1ccccc1Br ZINC000037720974 213162699 /nfs/dbraw/zinc/16/26/99/213162699.db2.gz HCOSVHVPFUPWIO-UHFFFAOYSA-N 1 0 340.648 4.183 10 0 EIAERO Cc1cc(Br)cc(C)c1N[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037772417 213166144 /nfs/dbraw/zinc/16/61/44/213166144.db2.gz FRYYEKJXBKURQJ-KBPBESRZSA-N 1 0 325.294 4.208 10 0 EIAERO C[C@H](Nc1c[nH+]ccc1N(C)C)c1ccc(Br)s1 ZINC000038002507 213187569 /nfs/dbraw/zinc/18/75/69/213187569.db2.gz YKFATGPZMGNGEJ-VIFPVBQESA-N 1 0 326.263 4.145 10 0 EIAERO CC[C@H](CO)[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000073224187 216366638 /nfs/dbraw/zinc/36/66/38/216366638.db2.gz CSJUGIJIZSGDQL-JOCHJYFZSA-N 1 0 331.459 4.339 10 0 EIAERO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000022853626 212329228 /nfs/dbraw/zinc/32/92/28/212329228.db2.gz QLRVVIILPGOPNF-GOSISDBHSA-N 1 0 338.426 4.326 10 0 EIAERO CCCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000020931268 212190191 /nfs/dbraw/zinc/19/01/91/212190191.db2.gz QYHKZODWJSDSFG-UHFFFAOYSA-N 1 0 333.859 4.470 10 0 EIAERO CCCOc1c(C[NH2+]CCC(C)C)cc(Br)cc1OC ZINC000020934456 212190077 /nfs/dbraw/zinc/19/00/77/212190077.db2.gz YDXHNVHEWARWMY-UHFFFAOYSA-N 1 0 344.293 4.382 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@H]([NH3+])c1ccccc1 ZINC000019967883 212091549 /nfs/dbraw/zinc/09/15/49/212091549.db2.gz CBSBWLVIGLZCQX-CYBMUJFWSA-N 1 0 326.621 4.159 10 0 EIAERO [NH3+][C@H]1CN(Cc2cccc(Cl)c2)c2ccc(Br)cc21 ZINC000019795881 212069388 /nfs/dbraw/zinc/06/93/88/212069388.db2.gz KUTKOWKJQBDPLF-AWEZNQCLSA-N 1 0 337.648 4.123 10 0 EIAERO C[NH2+]Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000019777234 212065860 /nfs/dbraw/zinc/06/58/60/212065860.db2.gz HMPUCOJJONVSDW-UHFFFAOYSA-N 1 0 340.648 4.401 10 0 EIAERO CCCCOCCC[NH2+]Cc1ccc(OCC)c(Br)c1 ZINC000013720163 211621138 /nfs/dbraw/zinc/62/11/38/211621138.db2.gz ZWKFTMNQNRFVEK-UHFFFAOYSA-N 1 0 344.293 4.144 10 0 EIAERO CC(C)C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCn1cccn1 ZINC000011770213 211247046 /nfs/dbraw/zinc/24/70/46/211247046.db2.gz SYMSQEWZPYSKKR-FQEVSTJZSA-N 1 0 336.483 4.400 10 0 EIAERO CC(C)C[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCn1cccn1 ZINC000011770206 211246551 /nfs/dbraw/zinc/24/65/51/211246551.db2.gz SYMSQEWZPYSKKR-HXUWFJFHSA-N 1 0 336.483 4.400 10 0 EIAERO CC(=O)c1nc2ccccc2n1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095082703 218274829 /nfs/dbraw/zinc/27/48/29/218274829.db2.gz ZOYOMJJFDUHFQE-IBGZPJMESA-N 1 0 347.462 4.294 10 0 EIAERO CCOC(=O)c1oc2cccc(OCCC[NH2+]C(C)(C)C)c2c1C ZINC000006403601 210629375 /nfs/dbraw/zinc/62/93/75/210629375.db2.gz RIYRHNUSSZPXRM-UHFFFAOYSA-N 1 0 333.428 4.075 10 0 EIAERO C[C@H](C[C@@H](CNC(=O)OC(C)(C)C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238857170 258001213 /nfs/dbraw/zinc/00/12/13/258001213.db2.gz YERZZRPSSPYLCE-NZSAHSFTSA-N 1 0 346.515 4.463 10 0 EIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000036992151 525607304 /nfs/dbraw/zinc/60/73/04/525607304.db2.gz LEAQSEGLMFCMOA-MNOVXSKESA-N 1 0 343.901 4.217 10 0 EIAERO CC(C)[NH2+]CC[C@@H](CNC(=O)OC(C)(C)C)c1c[nH]c2ccccc21 ZINC000725269297 563987634 /nfs/dbraw/zinc/98/76/34/563987634.db2.gz PIGXJRUXMSMXOJ-HNNXBMFYSA-N 1 0 345.487 4.164 10 0 EIAERO C[NH+](C)CC/C=C1/c2ccccc2[S@](=O)c2ccc(Cl)cc21 ZINC000033954582 564001458 /nfs/dbraw/zinc/00/14/58/564001458.db2.gz FIRHWYHHSBEFJB-RRMRZKMGSA-N 1 0 331.868 4.204 10 0 in-vitro EIAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1Cl ZINC000675052405 564052428 /nfs/dbraw/zinc/05/24/28/564052428.db2.gz AAMUWOVBMAXCPT-SMDDNHRTSA-N 1 0 345.270 4.393 10 0 EIAERO O=C(NCC1CC1)[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2ccccc2)C1 ZINC000106610579 564177331 /nfs/dbraw/zinc/17/73/31/564177331.db2.gz YMOSAYYMOZAAQK-VXKWHMMOSA-N 1 0 348.490 4.166 10 0 EIAERO CCc1ccc(O[C@H](C[NH3+])C(F)(F)C(F)(F)F)c(C(C)(C)C)c1 ZINC000616571615 564177369 /nfs/dbraw/zinc/17/73/69/564177369.db2.gz ZOEIPGBBKSMVGP-CYBMUJFWSA-N 1 0 339.348 4.450 10 0 EIAERO Cc1ncc2n1-c1ccc(Cl)cc1[C@H](c1ccccc1F)NC2 ZINC000034020435 568415160 /nfs/dbraw/zinc/41/51/60/568415160.db2.gz HMQYFIKOHHSETE-SFHVURJKSA-N 1 0 327.790 4.166 10 0 in-vitro EIAERO Cc1cccc(C)c1NC(=O)[C@@H](C)N1CC=C(c2cccs2)CC1 ZINC000117895712 1031266193 /nfs/dbraw/zinc/26/61/93/1031266193.db2.gz PEURSTDACZBYNN-MRXNPFEDSA-N 1 0 340.492 4.481 10 0 EIAERO CC(C)[NH2+]C[C@@H](OCC(F)(F)F)c1cccc(Br)c1 ZINC000050502203 214058436 /nfs/dbraw/zinc/05/84/36/214058436.db2.gz ITVIJORYWYGWIY-GFCCVEGCSA-N 1 0 340.183 4.067 10 0 EIAERO CC[NH2+]Cc1ccc(Br)cc1-n1nc(C)c(Cl)c1C ZINC000050587365 214058798 /nfs/dbraw/zinc/05/87/98/214058798.db2.gz DJKBDMXYPLNVOC-UHFFFAOYSA-N 1 0 342.668 4.015 10 0 EIAERO CC[C@@](C)(C[NH2+]C(C)C)CN(C)Cc1csc(Br)c1 ZINC000051256987 214084258 /nfs/dbraw/zinc/08/42/58/214084258.db2.gz AXRIYDKJXFRJKW-HNNXBMFYSA-N 1 0 347.366 4.357 10 0 EIAERO CC[NH2+]Cc1cnc(Oc2cccc(Br)c2)c(Cl)c1 ZINC000051549493 214096455 /nfs/dbraw/zinc/09/64/55/214096455.db2.gz IQCCZZIVRJUDFZ-UHFFFAOYSA-N 1 0 341.636 4.399 10 0 EIAERO CCC[NH2+]C[C@@H](CCCOC)Cc1ccc(Br)cc1 ZINC000052975626 214158863 /nfs/dbraw/zinc/15/88/63/214158863.db2.gz CMACZTFPLNQUCO-HNNXBMFYSA-N 1 0 328.294 4.034 10 0 EIAERO CCCCOCC[C@@H](C[NH2+]C)Cc1ccc(Br)cc1 ZINC000052975564 214158966 /nfs/dbraw/zinc/15/89/66/214158966.db2.gz PGUVJUDAWMJOJH-OAHLLOKOSA-N 1 0 328.294 4.034 10 0 EIAERO C[N@H+](CCNc1ccc(Br)cc1)Cc1ccsc1 ZINC000053381420 214180045 /nfs/dbraw/zinc/18/00/45/214180045.db2.gz BRIWUDPYLHJOHE-UHFFFAOYSA-N 1 0 325.275 4.055 10 0 EIAERO C[C@@H]1CCC[C@H]([NH2+]CCN(C)Cc2cc(Br)cs2)C1 ZINC000053429435 214182317 /nfs/dbraw/zinc/18/23/17/214182317.db2.gz QDXKGSOAXVAJKS-OCCSQVGLSA-N 1 0 345.350 4.111 10 0 EIAERO CCC(C)(C)[NH2+]C[C@@H](C)N(C)Cc1ccc(Br)cc1 ZINC000053498499 214186180 /nfs/dbraw/zinc/18/61/80/214186180.db2.gz GXSTXMVLIQYINW-CYBMUJFWSA-N 1 0 327.310 4.048 10 0 EIAERO CCC[NH2+][C@H](Cc1sccc1Br)c1ccncc1 ZINC000053822648 214200247 /nfs/dbraw/zinc/20/02/47/214200247.db2.gz QXYJSWLUICGAEB-CYBMUJFWSA-N 1 0 325.275 4.189 10 0 EIAERO CN[C@@H](CC[N@H+](C)[C@@H](C)C(C)C)c1ccc(Br)cc1 ZINC000053939943 214206912 /nfs/dbraw/zinc/20/69/12/214206912.db2.gz BKFBZGVOZULEGH-BBRMVZONSA-N 1 0 327.310 4.076 10 0 EIAERO C[N@H+](CC[C@@H](O)c1cccc(Br)c1)C1CCCCC1 ZINC000053972554 214207185 /nfs/dbraw/zinc/20/71/85/214207185.db2.gz IKEAIHLJGCKIQV-MRXNPFEDSA-N 1 0 326.278 4.137 10 0 EIAERO O[C@@H](CC[NH+]1CCCCCCC1)c1cccc(Br)c1 ZINC000053972586 214207830 /nfs/dbraw/zinc/20/78/30/214207830.db2.gz NNMDRBNHRKOROO-INIZCTEOSA-N 1 0 326.278 4.139 10 0 EIAERO CC(C)C[N@H+](CC[C@@H](O)c1cccc(Br)c1)C(C)C ZINC000053973738 214209419 /nfs/dbraw/zinc/20/94/19/214209419.db2.gz XNJMUAOYTHRLNT-MRXNPFEDSA-N 1 0 328.294 4.239 10 0 EIAERO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000055385711 214315876 /nfs/dbraw/zinc/31/58/76/214315876.db2.gz YZSQXZYSESRPTJ-AWEZNQCLSA-N 1 0 328.294 4.287 10 0 EIAERO C[C@H](c1cccs1)N(C)c1cc(Br)ccc1C[NH3+] ZINC000049727890 214030640 /nfs/dbraw/zinc/03/06/40/214030640.db2.gz UHIRUVXJZJAPOZ-SNVBAGLBSA-N 1 0 325.275 4.167 10 0 EIAERO C[NH2+][C@@H](Cc1cc(Br)cs1)Cc1cc(F)cc(F)c1 ZINC000060696333 214646022 /nfs/dbraw/zinc/64/60/22/214646022.db2.gz ZPLMOEHWOXHAJY-CYBMUJFWSA-N 1 0 346.240 4.162 10 0 EIAERO Fc1ccc(-c2csc(C[C@H]3CCC[NH2+]3)n2)cc1Br ZINC000061689324 214671384 /nfs/dbraw/zinc/67/13/84/214671384.db2.gz CDNGWABNFUAECH-SNVBAGLBSA-N 1 0 341.249 4.006 10 0 EIAERO COc1ccc([C@H](C[NH3+])Sc2ccccc2Br)cc1 ZINC000042964936 213547891 /nfs/dbraw/zinc/54/78/91/213547891.db2.gz ABODSXHLWBTEDP-HNNXBMFYSA-N 1 0 338.270 4.250 10 0 EIAERO CC(C)[NH2+][C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C ZINC000067889996 215241750 /nfs/dbraw/zinc/24/17/50/215241750.db2.gz UAKIQGRZCBRFJJ-BEFAXECRSA-N 1 0 328.456 4.209 10 0 EIAERO CC[NH2+][C@@H](C)[C@H](CCOc1ccc(Br)cc1)C(C)C ZINC000103941686 219331051 /nfs/dbraw/zinc/33/10/51/219331051.db2.gz ODCXTEOGPWVISN-XJKSGUPXSA-N 1 0 328.294 4.488 10 0 EIAERO C[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(Br)cc2F)C1 ZINC000104001349 219337285 /nfs/dbraw/zinc/33/72/85/219337285.db2.gz KOKAEVAUWQLQNA-YPMHNXCESA-N 1 0 330.241 4.135 10 0 EIAERO C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc(Br)cc2F)C1 ZINC000104001358 219337497 /nfs/dbraw/zinc/33/74/97/219337497.db2.gz KOKAEVAUWQLQNA-DGCLKSJQSA-N 1 0 330.241 4.135 10 0 EIAERO Fc1ccc(Br)c(CC2(C[NH2+]C3CC3)CCCC2)c1 ZINC000104003543 219338369 /nfs/dbraw/zinc/33/83/69/219338369.db2.gz HKDFGWIAFNTHIT-UHFFFAOYSA-N 1 0 326.253 4.443 10 0 EIAERO CCCCCN(C)c1cc(Br)ccc1C[C@H]([NH3+])CC ZINC000104254383 219365346 /nfs/dbraw/zinc/36/53/46/219365346.db2.gz LZHPVVWAFIDHLL-OAHLLOKOSA-N 1 0 327.310 4.355 10 0 EIAERO CCn1c2ccc(Br)cc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036832 213195057 /nfs/dbraw/zinc/19/50/57/213195057.db2.gz VPJFXUSDUOHJPU-OAHLLOKOSA-N 1 0 336.277 4.399 10 0 EIAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1ccc(Cl)cc1Cl ZINC000038014007 213190315 /nfs/dbraw/zinc/19/03/15/213190315.db2.gz YPPWZCWCNSIABS-IAQYHMDHSA-N 1 0 331.287 4.339 10 0 EIAERO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(Br)c2)cc1 ZINC000038012588 213188539 /nfs/dbraw/zinc/18/85/39/213188539.db2.gz HSNGKDCBYDJPRI-CYBMUJFWSA-N 1 0 347.256 4.047 10 0 EIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC)cc1Br ZINC000037445185 213148400 /nfs/dbraw/zinc/14/84/00/213148400.db2.gz FPVDMWCFXQLVBE-HNNXBMFYSA-N 1 0 340.648 4.420 10 0 EIAERO COc1ccc([C@H]([NH3+])c2ccc(Br)cc2C)cc1Cl ZINC000036829672 213121804 /nfs/dbraw/zinc/12/18/04/213121804.db2.gz PNPXWTJUQXKLPB-HNNXBMFYSA-N 1 0 340.648 4.468 10 0 EIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OC)c(Br)c1 ZINC000035508128 213034246 /nfs/dbraw/zinc/03/42/46/213034246.db2.gz OAUBXVUZWQSYQU-AWEZNQCLSA-N 1 0 326.259 4.218 10 0 EIAERO COc1ccc(-c2ccc([C@H](O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000033755234 212963128 /nfs/dbraw/zinc/96/31/28/212963128.db2.gz NHPCBTVKHULSEJ-OAQYLSRUSA-N 1 0 325.452 4.272 10 0 EIAERO C[NH2+][C@@H](c1cccc(Br)c1)c1ccc(OC)c(Cl)c1 ZINC000035461866 213029993 /nfs/dbraw/zinc/02/99/93/213029993.db2.gz ZYTJENFGMPBDIZ-HNNXBMFYSA-N 1 0 340.648 4.420 10 0 EIAERO CC[C@H]([NH3+])Cc1cc(Br)ccc1OCc1ccsc1 ZINC000037725572 213163929 /nfs/dbraw/zinc/16/39/29/213163929.db2.gz KAKYTZSYGXKWKV-AWEZNQCLSA-N 1 0 340.286 4.369 10 0 EIAERO COc1cc(Br)cc(C[NH2+]C2CCCCCC2)c1OC ZINC000020933850 212190314 /nfs/dbraw/zinc/19/03/14/212190314.db2.gz DAMZMUWTGQWUJB-UHFFFAOYSA-N 1 0 342.277 4.279 10 0 EIAERO COc1ccc([C@@H]([NH3+])c2ccccc2Br)cc1Cl ZINC000020521912 212143590 /nfs/dbraw/zinc/14/35/90/212143590.db2.gz MYAUWWISVANSFA-CQSZACIVSA-N 1 0 326.621 4.159 10 0 EIAERO Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)[nH]c(=O)c1-c1ccccc1 ZINC000020149396 212106662 /nfs/dbraw/zinc/10/66/62/212106662.db2.gz MKVHHRANSRPGGA-UHFFFAOYSA-N 1 0 345.446 4.008 10 0 EIAERO COc1c(Br)cc(Cl)cc1[C@@H]([NH3+])c1ccccc1 ZINC000019967882 212091308 /nfs/dbraw/zinc/09/13/08/212091308.db2.gz CBSBWLVIGLZCQX-ZDUSSCGKSA-N 1 0 326.621 4.159 10 0 EIAERO NC(=[NH2+])c1ccc(Oc2ccc(Cl)cc2Br)cc1 ZINC000019866151 212077106 /nfs/dbraw/zinc/07/71/06/212077106.db2.gz SZTKMGIBHQSGTG-UHFFFAOYSA-N 1 0 325.593 4.179 10 0 EIAERO CC[C@@H](C)C[NH2+][C@H]1CCCN(c2nc(C)c3ccc(C)cc3n2)CC1 ZINC000014961424 211778608 /nfs/dbraw/zinc/77/86/08/211778608.db2.gz HFKLXQZALCVFKD-QAPCUYQASA-N 1 0 340.515 4.241 10 0 EIAERO Cc1nc[nH]c1C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012305233 211339575 /nfs/dbraw/zinc/33/95/75/211339575.db2.gz MEDUQBWOGAPOBG-SFHVURJKSA-N 1 0 349.482 4.016 10 0 EIAERO CCOc1ccc2c(c1)OC(C)(C)[C@@H](c1ccc(OC)cc1)[C@H]2[NH3+] ZINC000011849244 211257893 /nfs/dbraw/zinc/25/78/93/211257893.db2.gz DEXGTLNAPMYXGF-OALUTQOASA-N 1 0 327.424 4.049 10 0 EIAERO Cc1ccccc1Cn1nc(-c2ccc(Cl)cc2)c2c1C[NH2+]CC2 ZINC000117954832 221102489 /nfs/dbraw/zinc/10/24/89/221102489.db2.gz BFEIHVMKVIJYDO-UHFFFAOYSA-N 1 0 337.854 4.206 10 0 EIAERO Fc1ccc(C[N@@H+]2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)cc1 ZINC000503716614 257831998 /nfs/dbraw/zinc/83/19/98/257831998.db2.gz INXLQNBGBSRBNY-FGZHOGPDSA-N 1 0 339.454 4.438 10 0 EIAERO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000238854646 258001193 /nfs/dbraw/zinc/00/11/93/258001193.db2.gz ORBLPFKGRVVFDQ-MUQADHOPSA-N 1 0 332.488 4.199 10 0 EIAERO Clc1ccc2nccc(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000040175334 132399248 /nfs/dbraw/zinc/39/92/48/132399248.db2.gz HFBHCVFIXOEDQC-UHFFFAOYSA-N 1 0 337.854 4.210 10 0 EIAERO COCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000013722620 563717148 /nfs/dbraw/zinc/71/71/48/563717148.db2.gz GCYZKFLQWQTNAR-UHFFFAOYSA-N 1 0 338.245 4.144 10 0 EIAERO COCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000013722217 563716813 /nfs/dbraw/zinc/71/68/13/563716813.db2.gz BFAWSKSEKIGXGC-UHFFFAOYSA-N 1 0 349.858 4.054 10 0 EIAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000675055706 564111871 /nfs/dbraw/zinc/11/18/71/564111871.db2.gz WUHYLLHABIQYBM-SMDDNHRTSA-N 1 0 345.270 4.311 10 0 EIAERO CC[N@@H+](Cc1cc(C)c(I)cc1C)CC(C)C ZINC000675075876 564113304 /nfs/dbraw/zinc/11/33/04/564113304.db2.gz WGHMOGFFKBNSNI-UHFFFAOYSA-N 1 0 345.268 4.386 10 0 EIAERO