smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Cl)cc3)n2)c1 ZINC000000881183 551556009 /nfs/dbraw/zinc/55/60/09/551556009.db2.gz VFPZQLPJFJUWEV-UHFFFAOYSA-N 1 2 502.036 4.850 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000925730 551579086 /nfs/dbraw/zinc/57/90/86/551579086.db2.gz PGMDDTLYXRIRCB-UHFFFAOYSA-N 1 2 516.646 4.590 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000925730 551579083 /nfs/dbraw/zinc/57/90/83/551579083.db2.gz PGMDDTLYXRIRCB-UHFFFAOYSA-N 1 2 516.646 4.590 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000925949 551579150 /nfs/dbraw/zinc/57/91/50/551579150.db2.gz OQBNXJVYLNEDAL-UHFFFAOYSA-N 1 2 530.673 4.844 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000925949 551579147 /nfs/dbraw/zinc/57/91/47/551579147.db2.gz OQBNXJVYLNEDAL-UHFFFAOYSA-N 1 2 530.673 4.844 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000000926137 551579537 /nfs/dbraw/zinc/57/95/37/551579537.db2.gz SJGBPTQKPYWHGA-UHFFFAOYSA-N 1 2 516.646 4.590 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000000926137 551579536 /nfs/dbraw/zinc/57/95/36/551579536.db2.gz SJGBPTQKPYWHGA-UHFFFAOYSA-N 1 2 516.646 4.590 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000000926329 551579504 /nfs/dbraw/zinc/57/95/04/551579504.db2.gz XFAZDIVUGFATNG-UHFFFAOYSA-N 1 2 516.646 4.590 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000000926329 551579503 /nfs/dbraw/zinc/57/95/03/551579503.db2.gz XFAZDIVUGFATNG-UHFFFAOYSA-N 1 2 516.646 4.590 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926497 551579588 /nfs/dbraw/zinc/57/95/88/551579588.db2.gz GETUFJVVDFOPEM-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000926497 551579586 /nfs/dbraw/zinc/57/95/86/551579586.db2.gz GETUFJVVDFOPEM-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000926523 551579583 /nfs/dbraw/zinc/57/95/83/551579583.db2.gz FBDKAHALCZLDPI-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000926523 551579581 /nfs/dbraw/zinc/57/95/81/551579581.db2.gz FBDKAHALCZLDPI-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000926551 551579514 /nfs/dbraw/zinc/57/95/14/551579514.db2.gz KCAKBSSCECYQSN-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000926551 551579513 /nfs/dbraw/zinc/57/95/13/551579513.db2.gz KCAKBSSCECYQSN-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926719 551579532 /nfs/dbraw/zinc/57/95/32/551579532.db2.gz QVCFKSSBKWTUEO-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926719 551579530 /nfs/dbraw/zinc/57/95/30/551579530.db2.gz QVCFKSSBKWTUEO-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000000926745 551580011 /nfs/dbraw/zinc/58/00/11/551580011.db2.gz LDCPCKXOSRORMK-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000000926745 551580007 /nfs/dbraw/zinc/58/00/07/551580007.db2.gz LDCPCKXOSRORMK-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000000926773 551579858 /nfs/dbraw/zinc/57/98/58/551579858.db2.gz QOUPCCLQSBOKLN-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000000926773 551579854 /nfs/dbraw/zinc/57/98/54/551579854.db2.gz QOUPCCLQSBOKLN-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000926919 551579910 /nfs/dbraw/zinc/57/99/10/551579910.db2.gz IIKJFKIKVPPFQC-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000926919 551579907 /nfs/dbraw/zinc/57/99/07/551579907.db2.gz IIKJFKIKVPPFQC-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000926947 551579849 /nfs/dbraw/zinc/57/98/49/551579849.db2.gz MNOTWABJEFGBGP-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000926947 551579848 /nfs/dbraw/zinc/57/98/48/551579848.db2.gz MNOTWABJEFGBGP-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000926975 551579922 /nfs/dbraw/zinc/57/99/22/551579922.db2.gz PBLMLHRWBUAURE-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000926975 551579920 /nfs/dbraw/zinc/57/99/20/551579920.db2.gz PBLMLHRWBUAURE-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927111 551579886 /nfs/dbraw/zinc/57/98/86/551579886.db2.gz STVLMJLZLOLFGP-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927111 551579883 /nfs/dbraw/zinc/57/98/83/551579883.db2.gz STVLMJLZLOLFGP-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000000927132 551579877 /nfs/dbraw/zinc/57/98/77/551579877.db2.gz DAYBAFBAHXTNSW-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000000927132 551579875 /nfs/dbraw/zinc/57/98/75/551579875.db2.gz DAYBAFBAHXTNSW-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000000927156 551579937 /nfs/dbraw/zinc/57/99/37/551579937.db2.gz PZZAAFPQEOHKGH-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000000927156 551579934 /nfs/dbraw/zinc/57/99/34/551579934.db2.gz PZZAAFPQEOHKGH-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927312 551580264 /nfs/dbraw/zinc/58/02/64/551580264.db2.gz JCJZOFZDWIERCS-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000927312 551580263 /nfs/dbraw/zinc/58/02/63/551580263.db2.gz JCJZOFZDWIERCS-UHFFFAOYSA-N 1 2 518.662 4.539 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000000927334 551580231 /nfs/dbraw/zinc/58/02/31/551580231.db2.gz MEVTWZWKBZMZHE-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000000927334 551580229 /nfs/dbraw/zinc/58/02/29/551580229.db2.gz MEVTWZWKBZMZHE-UHFFFAOYSA-N 1 2 516.646 4.509 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000000927360 551580304 /nfs/dbraw/zinc/58/03/04/551580304.db2.gz QOIPDDHHOOHTJB-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000000927360 551580302 /nfs/dbraw/zinc/58/03/02/551580302.db2.gz QOIPDDHHOOHTJB-UHFFFAOYSA-N 1 2 530.673 4.899 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000928002 551580622 /nfs/dbraw/zinc/58/06/22/551580622.db2.gz ZAANXPLJRJODRQ-UHFFFAOYSA-N 1 2 546.672 4.681 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000000928002 551580619 /nfs/dbraw/zinc/58/06/19/551580619.db2.gz ZAANXPLJRJODRQ-UHFFFAOYSA-N 1 2 546.672 4.681 40 0 KJABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(Br)cc3)n2)cc1 ZINC000000929206 551581284 /nfs/dbraw/zinc/58/12/84/551581284.db2.gz WBGQIHFMEPTJSE-UHFFFAOYSA-N 1 2 516.461 4.950 40 0 KJABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)COc3ccc(Cl)cc3)n2)cc1 ZINC000000929209 551581204 /nfs/dbraw/zinc/58/12/04/551581204.db2.gz BUVVDOKXJHZUOP-UHFFFAOYSA-N 1 2 502.036 4.606 40 0 KJABLO Cc1ccc(S[C@@]2(C[NH+]3CCOCC3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000001102009 551608940 /nfs/dbraw/zinc/60/89/40/551608940.db2.gz JVLSADOYBKCNGP-NRFANRHFSA-N 1 2 527.278 4.958 40 0 KJABLO Cc1ccc(S[C@]2(C[NH+]3CCOCC3)COc3c(Br)cc(Br)cc3C2=O)cc1 ZINC000001102010 551608810 /nfs/dbraw/zinc/60/88/10/551608810.db2.gz JVLSADOYBKCNGP-OAQYLSRUSA-N 1 2 527.278 4.958 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325139 551642792 /nfs/dbraw/zinc/64/27/92/551642792.db2.gz HYDIIOWCTRFBBR-QHCPKHFHSA-N 1 2 520.609 4.724 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325139 551642789 /nfs/dbraw/zinc/64/27/89/551642789.db2.gz HYDIIOWCTRFBBR-QHCPKHFHSA-N 1 2 520.609 4.724 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325141 551642723 /nfs/dbraw/zinc/64/27/23/551642723.db2.gz HYDIIOWCTRFBBR-HSZRJFAPSA-N 1 2 520.609 4.724 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325141 551642719 /nfs/dbraw/zinc/64/27/19/551642719.db2.gz HYDIIOWCTRFBBR-HSZRJFAPSA-N 1 2 520.609 4.724 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325165 551642713 /nfs/dbraw/zinc/64/27/13/551642713.db2.gz YICCLZSAHCBJOU-DEOSSOPVSA-N 1 2 500.603 4.554 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325165 551642711 /nfs/dbraw/zinc/64/27/11/551642711.db2.gz YICCLZSAHCBJOU-DEOSSOPVSA-N 1 2 500.603 4.554 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325167 551642814 /nfs/dbraw/zinc/64/28/14/551642814.db2.gz YICCLZSAHCBJOU-XMMPIXPASA-N 1 2 500.603 4.554 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325167 551642811 /nfs/dbraw/zinc/64/28/11/551642811.db2.gz YICCLZSAHCBJOU-XMMPIXPASA-N 1 2 500.603 4.554 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325186 551642747 /nfs/dbraw/zinc/64/27/47/551642747.db2.gz FRDOTJYZAYJQBE-DEOSSOPVSA-N 1 2 518.593 4.694 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325186 551642745 /nfs/dbraw/zinc/64/27/45/551642745.db2.gz FRDOTJYZAYJQBE-DEOSSOPVSA-N 1 2 518.593 4.694 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325189 551642870 /nfs/dbraw/zinc/64/28/70/551642870.db2.gz FRDOTJYZAYJQBE-XMMPIXPASA-N 1 2 518.593 4.694 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325189 551642867 /nfs/dbraw/zinc/64/28/67/551642867.db2.gz FRDOTJYZAYJQBE-XMMPIXPASA-N 1 2 518.593 4.694 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325208 551642783 /nfs/dbraw/zinc/64/27/83/551642783.db2.gz UVHUUAQVHNIBOB-QFIPXVFZSA-N 1 2 506.632 4.616 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325208 551642780 /nfs/dbraw/zinc/64/27/80/551642780.db2.gz UVHUUAQVHNIBOB-QFIPXVFZSA-N 1 2 506.632 4.616 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325211 551642823 /nfs/dbraw/zinc/64/28/23/551642823.db2.gz UVHUUAQVHNIBOB-JOCHJYFZSA-N 1 2 506.632 4.616 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325211 551642821 /nfs/dbraw/zinc/64/28/21/551642821.db2.gz UVHUUAQVHNIBOB-JOCHJYFZSA-N 1 2 506.632 4.616 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326032 551643075 /nfs/dbraw/zinc/64/30/75/551643075.db2.gz LERDCQVCHYQURE-SANMLTNESA-N 1 2 540.599 4.627 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326032 551643072 /nfs/dbraw/zinc/64/30/72/551643072.db2.gz LERDCQVCHYQURE-SANMLTNESA-N 1 2 540.599 4.627 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326034 551643177 /nfs/dbraw/zinc/64/31/77/551643177.db2.gz LERDCQVCHYQURE-AREMUKBSSA-N 1 2 540.599 4.627 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326034 551643174 /nfs/dbraw/zinc/64/31/74/551643174.db2.gz LERDCQVCHYQURE-AREMUKBSSA-N 1 2 540.599 4.627 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326042 551643161 /nfs/dbraw/zinc/64/31/61/551643161.db2.gz GSYLLYDMAXBTMZ-DEOSSOPVSA-N 1 2 528.638 4.549 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326042 551643157 /nfs/dbraw/zinc/64/31/57/551643157.db2.gz GSYLLYDMAXBTMZ-DEOSSOPVSA-N 1 2 528.638 4.549 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326045 551643152 /nfs/dbraw/zinc/64/31/52/551643152.db2.gz GSYLLYDMAXBTMZ-XMMPIXPASA-N 1 2 528.638 4.549 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326045 551643149 /nfs/dbraw/zinc/64/31/49/551643149.db2.gz GSYLLYDMAXBTMZ-XMMPIXPASA-N 1 2 528.638 4.549 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2ccccc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000001334153 551644952 /nfs/dbraw/zinc/64/49/52/551644952.db2.gz AWWPQZQDBLRTNE-LJAQVGFWSA-N 1 2 538.652 4.980 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@H+](Cc2ccccc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000001334153 551644950 /nfs/dbraw/zinc/64/49/50/551644950.db2.gz AWWPQZQDBLRTNE-LJAQVGFWSA-N 1 2 538.652 4.980 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[N@@H+](Cc2ccccc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000001334155 551644988 /nfs/dbraw/zinc/64/49/88/551644988.db2.gz AWWPQZQDBLRTNE-GDLZYMKVSA-N 1 2 538.652 4.980 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[N@H+](Cc2ccccc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000001334155 551644985 /nfs/dbraw/zinc/64/49/85/551644985.db2.gz AWWPQZQDBLRTNE-GDLZYMKVSA-N 1 2 538.652 4.980 40 0 KJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000001334243 551644923 /nfs/dbraw/zinc/64/49/23/551644923.db2.gz VECKAESOSYLRRL-PMERELPUSA-N 1 2 566.662 4.894 40 0 KJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000001334243 551644921 /nfs/dbraw/zinc/64/49/21/551644921.db2.gz VECKAESOSYLRRL-PMERELPUSA-N 1 2 566.662 4.894 40 0 KJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000001334244 551644998 /nfs/dbraw/zinc/64/49/98/551644998.db2.gz VECKAESOSYLRRL-SSEXGKCCSA-N 1 2 566.662 4.894 40 0 KJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000001334244 551644996 /nfs/dbraw/zinc/64/49/96/551644996.db2.gz VECKAESOSYLRRL-SSEXGKCCSA-N 1 2 566.662 4.894 40 0 KJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334402 551645027 /nfs/dbraw/zinc/64/50/27/551645027.db2.gz DBMCZKHNPYNSGW-HHHXNRCGSA-N 1 2 546.672 4.839 40 0 KJABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334402 551645025 /nfs/dbraw/zinc/64/50/25/551645025.db2.gz DBMCZKHNPYNSGW-HHHXNRCGSA-N 1 2 546.672 4.839 40 0 KJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334403 551644981 /nfs/dbraw/zinc/64/49/81/551644981.db2.gz DBMCZKHNPYNSGW-MHZLTWQESA-N 1 2 546.672 4.839 40 0 KJABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334403 551644978 /nfs/dbraw/zinc/64/49/78/551644978.db2.gz DBMCZKHNPYNSGW-MHZLTWQESA-N 1 2 546.672 4.839 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2ccc(OC)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001334413 551644973 /nfs/dbraw/zinc/64/49/73/551644973.db2.gz HAUGHMKRRJIIQL-HKBQPEDESA-N 1 2 596.688 4.751 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@H+](Cc2ccc(OC)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001334413 551644970 /nfs/dbraw/zinc/64/49/70/551644970.db2.gz HAUGHMKRRJIIQL-HKBQPEDESA-N 1 2 596.688 4.751 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001334420 551645053 /nfs/dbraw/zinc/64/50/53/551645053.db2.gz PGDCCUCWBJGVKN-NDEPHWFRSA-N 1 2 572.691 4.804 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@H+](Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001334420 551645052 /nfs/dbraw/zinc/64/50/52/551645052.db2.gz PGDCCUCWBJGVKN-NDEPHWFRSA-N 1 2 572.691 4.804 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[N@@H+](Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001334421 551644958 /nfs/dbraw/zinc/64/49/58/551644958.db2.gz PGDCCUCWBJGVKN-MUUNZHRXSA-N 1 2 572.691 4.804 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[N@H+](Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001334421 551644957 /nfs/dbraw/zinc/64/49/57/551644957.db2.gz PGDCCUCWBJGVKN-MUUNZHRXSA-N 1 2 572.691 4.804 40 0 KJABLO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334490 551645314 /nfs/dbraw/zinc/64/53/14/551645314.db2.gz QIJZKRWZPXSHSL-NDEPHWFRSA-N 1 2 556.692 4.990 40 0 KJABLO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334490 551645312 /nfs/dbraw/zinc/64/53/12/551645312.db2.gz QIJZKRWZPXSHSL-NDEPHWFRSA-N 1 2 556.692 4.990 40 0 KJABLO CC(C)[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334493 551645354 /nfs/dbraw/zinc/64/53/54/551645354.db2.gz QIJZKRWZPXSHSL-MUUNZHRXSA-N 1 2 556.692 4.990 40 0 KJABLO CC(C)[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334493 551645353 /nfs/dbraw/zinc/64/53/53/551645353.db2.gz QIJZKRWZPXSHSL-MUUNZHRXSA-N 1 2 556.692 4.990 40 0 KJABLO COc1cc2cc(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1OC ZINC000001334517 551645349 /nfs/dbraw/zinc/64/53/49/551645349.db2.gz MILYUANDTBKLSM-PMERELPUSA-N 1 2 582.661 4.708 40 0 KJABLO COc1cc2cc(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1OC ZINC000001334517 551645347 /nfs/dbraw/zinc/64/53/47/551645347.db2.gz MILYUANDTBKLSM-PMERELPUSA-N 1 2 582.661 4.708 40 0 KJABLO COc1cc2cc(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1OC ZINC000001334519 551645329 /nfs/dbraw/zinc/64/53/29/551645329.db2.gz MILYUANDTBKLSM-SSEXGKCCSA-N 1 2 582.661 4.708 40 0 KJABLO COc1cc2cc(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1OC ZINC000001334519 551645327 /nfs/dbraw/zinc/64/53/27/551645327.db2.gz MILYUANDTBKLSM-SSEXGKCCSA-N 1 2 582.661 4.708 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2cccnc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000001335053 551645343 /nfs/dbraw/zinc/64/53/43/551645343.db2.gz RRDUGGGWXWSAGM-LJAQVGFWSA-N 1 2 537.668 4.983 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@H+](Cc2cccnc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000001335053 551645341 /nfs/dbraw/zinc/64/53/41/551645341.db2.gz RRDUGGGWXWSAGM-LJAQVGFWSA-N 1 2 537.668 4.983 40 0 KJABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335590 551645408 /nfs/dbraw/zinc/64/54/08/551645408.db2.gz GHFSRYZPGNPQNF-MHZLTWQESA-N 1 2 594.672 4.801 40 0 KJABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335590 551645407 /nfs/dbraw/zinc/64/54/07/551645407.db2.gz GHFSRYZPGNPQNF-MHZLTWQESA-N 1 2 594.672 4.801 40 0 KJABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335591 551645575 /nfs/dbraw/zinc/64/55/75/551645575.db2.gz GHFSRYZPGNPQNF-HHHXNRCGSA-N 1 2 594.672 4.801 40 0 KJABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001335591 551645571 /nfs/dbraw/zinc/64/55/71/551645571.db2.gz GHFSRYZPGNPQNF-HHHXNRCGSA-N 1 2 594.672 4.801 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001336701 551646171 /nfs/dbraw/zinc/64/61/71/551646171.db2.gz SLJHQQHOJCGIJH-LJAQVGFWSA-N 1 2 552.635 4.700 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@H+](Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001336701 551646169 /nfs/dbraw/zinc/64/61/69/551646169.db2.gz SLJHQQHOJCGIJH-LJAQVGFWSA-N 1 2 552.635 4.700 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[N@@H+](Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001336743 551646178 /nfs/dbraw/zinc/64/61/78/551646178.db2.gz ILADYWYDEBWTAP-GDLZYMKVSA-N 1 2 570.625 4.839 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](C(C)C)[N@H+](Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001336743 551646176 /nfs/dbraw/zinc/64/61/76/551646176.db2.gz ILADYWYDEBWTAP-GDLZYMKVSA-N 1 2 570.625 4.839 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001336745 551646152 /nfs/dbraw/zinc/64/61/52/551646152.db2.gz ILADYWYDEBWTAP-LJAQVGFWSA-N 1 2 570.625 4.839 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@H+](Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001336745 551646149 /nfs/dbraw/zinc/64/61/49/551646149.db2.gz ILADYWYDEBWTAP-LJAQVGFWSA-N 1 2 570.625 4.839 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3OC)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000001336872 551646069 /nfs/dbraw/zinc/64/60/69/551646069.db2.gz WGESJMXTXKOKIY-NDEPHWFRSA-N 1 2 542.640 4.963 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3OC)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000001336872 551646067 /nfs/dbraw/zinc/64/60/67/551646067.db2.gz WGESJMXTXKOKIY-NDEPHWFRSA-N 1 2 542.640 4.963 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000001373005 551651517 /nfs/dbraw/zinc/65/15/17/551651517.db2.gz VKHYPQCGSKBUNF-UHFFFAOYSA-N 1 2 556.642 4.581 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000001373005 551651516 /nfs/dbraw/zinc/65/15/16/551651516.db2.gz VKHYPQCGSKBUNF-UHFFFAOYSA-N 1 2 556.642 4.581 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000001373007 551651495 /nfs/dbraw/zinc/65/14/95/551651495.db2.gz OKZZYIKOEXCETA-UHFFFAOYSA-N 1 2 556.642 4.581 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000001373007 551651493 /nfs/dbraw/zinc/65/14/93/551651493.db2.gz OKZZYIKOEXCETA-UHFFFAOYSA-N 1 2 556.642 4.581 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000001373009 551651460 /nfs/dbraw/zinc/65/14/60/551651460.db2.gz QEMCVZYQKXLJDS-UHFFFAOYSA-N 1 2 556.642 4.581 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000001373009 551651457 /nfs/dbraw/zinc/65/14/57/551651457.db2.gz QEMCVZYQKXLJDS-UHFFFAOYSA-N 1 2 556.642 4.581 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000001373319 551651839 /nfs/dbraw/zinc/65/18/39/551651839.db2.gz NPDXKUWJUGOWGO-UHFFFAOYSA-N 1 2 552.679 4.636 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000001373319 551651834 /nfs/dbraw/zinc/65/18/34/551651834.db2.gz NPDXKUWJUGOWGO-UHFFFAOYSA-N 1 2 552.679 4.636 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374071 551653134 /nfs/dbraw/zinc/65/31/34/551653134.db2.gz HHTGJWJCPXVRFO-MHZLTWQESA-N 1 2 512.614 4.880 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374071 551653133 /nfs/dbraw/zinc/65/31/33/551653133.db2.gz HHTGJWJCPXVRFO-MHZLTWQESA-N 1 2 512.614 4.880 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374073 551653120 /nfs/dbraw/zinc/65/31/20/551653120.db2.gz HHTGJWJCPXVRFO-HHHXNRCGSA-N 1 2 512.614 4.880 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374073 551653119 /nfs/dbraw/zinc/65/31/19/551653119.db2.gz HHTGJWJCPXVRFO-HHHXNRCGSA-N 1 2 512.614 4.880 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374124 551653057 /nfs/dbraw/zinc/65/30/57/551653057.db2.gz CEQDQIWWQSOOGY-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374124 551653056 /nfs/dbraw/zinc/65/30/56/551653056.db2.gz CEQDQIWWQSOOGY-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374125 551653093 /nfs/dbraw/zinc/65/30/93/551653093.db2.gz CEQDQIWWQSOOGY-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374125 551653092 /nfs/dbraw/zinc/65/30/92/551653092.db2.gz CEQDQIWWQSOOGY-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374181 551653107 /nfs/dbraw/zinc/65/31/07/551653107.db2.gz JMGHCBGAGACAAC-SANMLTNESA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374181 551653105 /nfs/dbraw/zinc/65/31/05/551653105.db2.gz JMGHCBGAGACAAC-SANMLTNESA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374182 551653039 /nfs/dbraw/zinc/65/30/39/551653039.db2.gz JMGHCBGAGACAAC-AREMUKBSSA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374182 551653038 /nfs/dbraw/zinc/65/30/38/551653038.db2.gz JMGHCBGAGACAAC-AREMUKBSSA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374277 551653548 /nfs/dbraw/zinc/65/35/48/551653548.db2.gz PPPYWZLVDKLJCM-SANMLTNESA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374277 551653547 /nfs/dbraw/zinc/65/35/47/551653547.db2.gz PPPYWZLVDKLJCM-SANMLTNESA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374278 551653478 /nfs/dbraw/zinc/65/34/78/551653478.db2.gz PPPYWZLVDKLJCM-AREMUKBSSA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374278 551653477 /nfs/dbraw/zinc/65/34/77/551653477.db2.gz PPPYWZLVDKLJCM-AREMUKBSSA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374336 551653542 /nfs/dbraw/zinc/65/35/42/551653542.db2.gz ARCFJHXMQIZOSD-MHZLTWQESA-N 1 2 536.636 4.948 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374336 551653541 /nfs/dbraw/zinc/65/35/41/551653541.db2.gz ARCFJHXMQIZOSD-MHZLTWQESA-N 1 2 536.636 4.948 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374337 551653599 /nfs/dbraw/zinc/65/35/99/551653599.db2.gz ARCFJHXMQIZOSD-HHHXNRCGSA-N 1 2 536.636 4.948 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374337 551653595 /nfs/dbraw/zinc/65/35/95/551653595.db2.gz ARCFJHXMQIZOSD-HHHXNRCGSA-N 1 2 536.636 4.948 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374382 551653561 /nfs/dbraw/zinc/65/35/61/551653561.db2.gz AOAVAGZABRZYSW-VWLOTQADSA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374382 551653557 /nfs/dbraw/zinc/65/35/57/551653557.db2.gz AOAVAGZABRZYSW-VWLOTQADSA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374383 551653763 /nfs/dbraw/zinc/65/37/63/551653763.db2.gz AOAVAGZABRZYSW-RUZDIDTESA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374383 551653761 /nfs/dbraw/zinc/65/37/61/551653761.db2.gz AOAVAGZABRZYSW-RUZDIDTESA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374386 551653741 /nfs/dbraw/zinc/65/37/41/551653741.db2.gz UKAKHGVZMODTLY-QHCPKHFHSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374386 551653739 /nfs/dbraw/zinc/65/37/39/551653739.db2.gz UKAKHGVZMODTLY-QHCPKHFHSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374387 551653723 /nfs/dbraw/zinc/65/37/23/551653723.db2.gz UKAKHGVZMODTLY-HSZRJFAPSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374387 551653721 /nfs/dbraw/zinc/65/37/21/551653721.db2.gz UKAKHGVZMODTLY-HSZRJFAPSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374402 551653697 /nfs/dbraw/zinc/65/36/97/551653697.db2.gz XBQJCXRODOFLSW-DEOSSOPVSA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374402 551653694 /nfs/dbraw/zinc/65/36/94/551653694.db2.gz XBQJCXRODOFLSW-DEOSSOPVSA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374403 551653688 /nfs/dbraw/zinc/65/36/88/551653688.db2.gz XBQJCXRODOFLSW-XMMPIXPASA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374403 551653684 /nfs/dbraw/zinc/65/36/84/551653684.db2.gz XBQJCXRODOFLSW-XMMPIXPASA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374419 551653662 /nfs/dbraw/zinc/65/36/62/551653662.db2.gz DVRWIGPIQDZUGP-MHZLTWQESA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374419 551653660 /nfs/dbraw/zinc/65/36/60/551653660.db2.gz DVRWIGPIQDZUGP-MHZLTWQESA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374420 551653653 /nfs/dbraw/zinc/65/36/53/551653653.db2.gz DVRWIGPIQDZUGP-HHHXNRCGSA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374420 551653651 /nfs/dbraw/zinc/65/36/51/551653651.db2.gz DVRWIGPIQDZUGP-HHHXNRCGSA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374423 551653639 /nfs/dbraw/zinc/65/36/39/551653639.db2.gz JUFQKWUUHAZGMG-NDEPHWFRSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374423 551653638 /nfs/dbraw/zinc/65/36/38/551653638.db2.gz JUFQKWUUHAZGMG-NDEPHWFRSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374425 551653770 /nfs/dbraw/zinc/65/37/70/551653770.db2.gz JUFQKWUUHAZGMG-MUUNZHRXSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374425 551653768 /nfs/dbraw/zinc/65/37/68/551653768.db2.gz JUFQKWUUHAZGMG-MUUNZHRXSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374434 551653732 /nfs/dbraw/zinc/65/37/32/551653732.db2.gz OBAYEQYQUBHGFR-VWLOTQADSA-N 1 2 500.628 4.787 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374434 551653729 /nfs/dbraw/zinc/65/37/29/551653729.db2.gz OBAYEQYQUBHGFR-VWLOTQADSA-N 1 2 500.628 4.787 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374435 551653632 /nfs/dbraw/zinc/65/36/32/551653632.db2.gz OBAYEQYQUBHGFR-RUZDIDTESA-N 1 2 500.628 4.787 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374435 551653628 /nfs/dbraw/zinc/65/36/28/551653628.db2.gz OBAYEQYQUBHGFR-RUZDIDTESA-N 1 2 500.628 4.787 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374446 551653751 /nfs/dbraw/zinc/65/37/51/551653751.db2.gz CMGPPVWKILFGFY-NDEPHWFRSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374446 551653750 /nfs/dbraw/zinc/65/37/50/551653750.db2.gz CMGPPVWKILFGFY-NDEPHWFRSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374447 551653569 /nfs/dbraw/zinc/65/35/69/551653569.db2.gz CMGPPVWKILFGFY-MUUNZHRXSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374447 551653568 /nfs/dbraw/zinc/65/35/68/551653568.db2.gz CMGPPVWKILFGFY-MUUNZHRXSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374454 551653677 /nfs/dbraw/zinc/65/36/77/551653677.db2.gz RDNMDCPUDUEGLD-NDEPHWFRSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374454 551653676 /nfs/dbraw/zinc/65/36/76/551653676.db2.gz RDNMDCPUDUEGLD-NDEPHWFRSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374455 551653707 /nfs/dbraw/zinc/65/37/07/551653707.db2.gz RDNMDCPUDUEGLD-MUUNZHRXSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374455 551653706 /nfs/dbraw/zinc/65/37/06/551653706.db2.gz RDNMDCPUDUEGLD-MUUNZHRXSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374503 551654020 /nfs/dbraw/zinc/65/40/20/551654020.db2.gz JPZXULLUHVDAHN-MHZLTWQESA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374503 551654019 /nfs/dbraw/zinc/65/40/19/551654019.db2.gz JPZXULLUHVDAHN-MHZLTWQESA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374504 551654060 /nfs/dbraw/zinc/65/40/60/551654060.db2.gz JPZXULLUHVDAHN-HHHXNRCGSA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374504 551654059 /nfs/dbraw/zinc/65/40/59/551654059.db2.gz JPZXULLUHVDAHN-HHHXNRCGSA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374514 551654042 /nfs/dbraw/zinc/65/40/42/551654042.db2.gz HHVZGVUSUGGAAA-NDEPHWFRSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374514 551654041 /nfs/dbraw/zinc/65/40/41/551654041.db2.gz HHVZGVUSUGGAAA-NDEPHWFRSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374515 551654057 /nfs/dbraw/zinc/65/40/57/551654057.db2.gz HHVZGVUSUGGAAA-MUUNZHRXSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374515 551654056 /nfs/dbraw/zinc/65/40/56/551654056.db2.gz HHVZGVUSUGGAAA-MUUNZHRXSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374524 551654069 /nfs/dbraw/zinc/65/40/69/551654069.db2.gz CAVGZRROZXLMGZ-VWLOTQADSA-N 1 2 518.618 4.926 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374524 551654068 /nfs/dbraw/zinc/65/40/68/551654068.db2.gz CAVGZRROZXLMGZ-VWLOTQADSA-N 1 2 518.618 4.926 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374525 551654030 /nfs/dbraw/zinc/65/40/30/551654030.db2.gz CAVGZRROZXLMGZ-RUZDIDTESA-N 1 2 518.618 4.926 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374525 551654029 /nfs/dbraw/zinc/65/40/29/551654029.db2.gz CAVGZRROZXLMGZ-RUZDIDTESA-N 1 2 518.618 4.926 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374576 551654501 /nfs/dbraw/zinc/65/45/01/551654501.db2.gz KOCYQFITVRGDDU-NDEPHWFRSA-N 1 2 508.626 4.919 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374576 551654500 /nfs/dbraw/zinc/65/45/00/551654500.db2.gz KOCYQFITVRGDDU-NDEPHWFRSA-N 1 2 508.626 4.919 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374577 551654340 /nfs/dbraw/zinc/65/43/40/551654340.db2.gz KOCYQFITVRGDDU-MUUNZHRXSA-N 1 2 508.626 4.919 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374577 551654338 /nfs/dbraw/zinc/65/43/38/551654338.db2.gz KOCYQFITVRGDDU-MUUNZHRXSA-N 1 2 508.626 4.919 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374583 551654521 /nfs/dbraw/zinc/65/45/21/551654521.db2.gz GOJVCDDNMUGQNU-LJAQVGFWSA-N 1 2 538.652 4.928 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374583 551654519 /nfs/dbraw/zinc/65/45/19/551654519.db2.gz GOJVCDDNMUGQNU-LJAQVGFWSA-N 1 2 538.652 4.928 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374585 551654444 /nfs/dbraw/zinc/65/44/44/551654444.db2.gz GOJVCDDNMUGQNU-GDLZYMKVSA-N 1 2 538.652 4.928 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374585 551654443 /nfs/dbraw/zinc/65/44/43/551654443.db2.gz GOJVCDDNMUGQNU-GDLZYMKVSA-N 1 2 538.652 4.928 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374586 551654390 /nfs/dbraw/zinc/65/43/90/551654390.db2.gz UXOIMVOGVPOFGY-MHZLTWQESA-N 1 2 552.635 4.648 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374586 551654386 /nfs/dbraw/zinc/65/43/86/551654386.db2.gz UXOIMVOGVPOFGY-MHZLTWQESA-N 1 2 552.635 4.648 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374587 551654486 /nfs/dbraw/zinc/65/44/86/551654486.db2.gz UXOIMVOGVPOFGY-HHHXNRCGSA-N 1 2 552.635 4.648 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374587 551654483 /nfs/dbraw/zinc/65/44/83/551654483.db2.gz UXOIMVOGVPOFGY-HHHXNRCGSA-N 1 2 552.635 4.648 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374598 551654360 /nfs/dbraw/zinc/65/43/60/551654360.db2.gz WRCCSOCYHPMAGR-SANMLTNESA-N 1 2 514.655 4.981 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374598 551654356 /nfs/dbraw/zinc/65/43/56/551654356.db2.gz WRCCSOCYHPMAGR-SANMLTNESA-N 1 2 514.655 4.981 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374599 551654494 /nfs/dbraw/zinc/65/44/94/551654494.db2.gz WRCCSOCYHPMAGR-AREMUKBSSA-N 1 2 514.655 4.981 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374599 551654492 /nfs/dbraw/zinc/65/44/92/551654492.db2.gz WRCCSOCYHPMAGR-AREMUKBSSA-N 1 2 514.655 4.981 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374634 551654428 /nfs/dbraw/zinc/65/44/28/551654428.db2.gz ZCTKJDHRBBEXMN-VWLOTQADSA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374634 551654425 /nfs/dbraw/zinc/65/44/25/551654425.db2.gz ZCTKJDHRBBEXMN-VWLOTQADSA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374636 551654379 /nfs/dbraw/zinc/65/43/79/551654379.db2.gz ZCTKJDHRBBEXMN-RUZDIDTESA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374636 551654376 /nfs/dbraw/zinc/65/43/76/551654376.db2.gz ZCTKJDHRBBEXMN-RUZDIDTESA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374637 551654325 /nfs/dbraw/zinc/65/43/25/551654325.db2.gz FKPFCALTLYWZDE-QHCPKHFHSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374637 551654322 /nfs/dbraw/zinc/65/43/22/551654322.db2.gz FKPFCALTLYWZDE-QHCPKHFHSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374638 551654464 /nfs/dbraw/zinc/65/44/64/551654464.db2.gz FKPFCALTLYWZDE-HSZRJFAPSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374638 551654462 /nfs/dbraw/zinc/65/44/62/551654462.db2.gz FKPFCALTLYWZDE-HSZRJFAPSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374651 551654306 /nfs/dbraw/zinc/65/43/06/551654306.db2.gz BPVINAQQAJJGSQ-DEOSSOPVSA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374651 551654302 /nfs/dbraw/zinc/65/43/02/551654302.db2.gz BPVINAQQAJJGSQ-DEOSSOPVSA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374652 551654348 /nfs/dbraw/zinc/65/43/48/551654348.db2.gz BPVINAQQAJJGSQ-XMMPIXPASA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374652 551654345 /nfs/dbraw/zinc/65/43/45/551654345.db2.gz BPVINAQQAJJGSQ-XMMPIXPASA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374664 551654654 /nfs/dbraw/zinc/65/46/54/551654654.db2.gz DSNMSGLOBGMIDH-MHZLTWQESA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374664 551654652 /nfs/dbraw/zinc/65/46/52/551654652.db2.gz DSNMSGLOBGMIDH-MHZLTWQESA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374665 551654574 /nfs/dbraw/zinc/65/45/74/551654574.db2.gz DSNMSGLOBGMIDH-HHHXNRCGSA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374665 551654573 /nfs/dbraw/zinc/65/45/73/551654573.db2.gz DSNMSGLOBGMIDH-HHHXNRCGSA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374668 551654587 /nfs/dbraw/zinc/65/45/87/551654587.db2.gz VXOLLTATQRUYFS-NDEPHWFRSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374668 551654586 /nfs/dbraw/zinc/65/45/86/551654586.db2.gz VXOLLTATQRUYFS-NDEPHWFRSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374670 551654671 /nfs/dbraw/zinc/65/46/71/551654671.db2.gz VXOLLTATQRUYFS-MUUNZHRXSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374670 551654668 /nfs/dbraw/zinc/65/46/68/551654668.db2.gz VXOLLTATQRUYFS-MUUNZHRXSA-N 1 2 524.625 4.734 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374674 551654539 /nfs/dbraw/zinc/65/45/39/551654539.db2.gz WUBPHZABLOJCPW-VWLOTQADSA-N 1 2 500.628 4.787 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374674 551654537 /nfs/dbraw/zinc/65/45/37/551654537.db2.gz WUBPHZABLOJCPW-VWLOTQADSA-N 1 2 500.628 4.787 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374675 551654634 /nfs/dbraw/zinc/65/46/34/551654634.db2.gz WUBPHZABLOJCPW-RUZDIDTESA-N 1 2 500.628 4.787 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374675 551654632 /nfs/dbraw/zinc/65/46/32/551654632.db2.gz WUBPHZABLOJCPW-RUZDIDTESA-N 1 2 500.628 4.787 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374686 551654640 /nfs/dbraw/zinc/65/46/40/551654640.db2.gz FYGPYQMVRZPEHQ-NDEPHWFRSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374686 551654639 /nfs/dbraw/zinc/65/46/39/551654639.db2.gz FYGPYQMVRZPEHQ-NDEPHWFRSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374688 551654699 /nfs/dbraw/zinc/65/46/99/551654699.db2.gz FYGPYQMVRZPEHQ-MUUNZHRXSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374688 551654696 /nfs/dbraw/zinc/65/46/96/551654696.db2.gz FYGPYQMVRZPEHQ-MUUNZHRXSA-N 1 2 542.615 4.873 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374689 551654648 /nfs/dbraw/zinc/65/46/48/551654648.db2.gz WWGFJHBDPSNOSF-SANMLTNESA-N 1 2 530.654 4.795 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374689 551654645 /nfs/dbraw/zinc/65/46/45/551654645.db2.gz WWGFJHBDPSNOSF-SANMLTNESA-N 1 2 530.654 4.795 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374690 551654684 /nfs/dbraw/zinc/65/46/84/551654684.db2.gz WWGFJHBDPSNOSF-AREMUKBSSA-N 1 2 530.654 4.795 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374690 551654683 /nfs/dbraw/zinc/65/46/83/551654683.db2.gz WWGFJHBDPSNOSF-AREMUKBSSA-N 1 2 530.654 4.795 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374725 551654551 /nfs/dbraw/zinc/65/45/51/551654551.db2.gz HMDHMENGRKUULG-MHZLTWQESA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374725 551654549 /nfs/dbraw/zinc/65/45/49/551654549.db2.gz HMDHMENGRKUULG-MHZLTWQESA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374726 551654558 /nfs/dbraw/zinc/65/45/58/551654558.db2.gz HMDHMENGRKUULG-HHHXNRCGSA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374726 551654557 /nfs/dbraw/zinc/65/45/57/551654557.db2.gz HMDHMENGRKUULG-HHHXNRCGSA-N 1 2 512.589 4.864 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374741 551654980 /nfs/dbraw/zinc/65/49/80/551654980.db2.gz NUDMCCDFABBUMJ-VWLOTQADSA-N 1 2 518.618 4.926 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374741 551654979 /nfs/dbraw/zinc/65/49/79/551654979.db2.gz NUDMCCDFABBUMJ-VWLOTQADSA-N 1 2 518.618 4.926 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374742 551655016 /nfs/dbraw/zinc/65/50/16/551655016.db2.gz NUDMCCDFABBUMJ-RUZDIDTESA-N 1 2 518.618 4.926 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374742 551655014 /nfs/dbraw/zinc/65/50/14/551655014.db2.gz NUDMCCDFABBUMJ-RUZDIDTESA-N 1 2 518.618 4.926 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374779 551654889 /nfs/dbraw/zinc/65/48/89/551654889.db2.gz VJYRTGCJWHVVHI-LJAQVGFWSA-N 1 2 538.652 4.928 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374779 551654887 /nfs/dbraw/zinc/65/48/87/551654887.db2.gz VJYRTGCJWHVVHI-LJAQVGFWSA-N 1 2 538.652 4.928 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374780 551654943 /nfs/dbraw/zinc/65/49/43/551654943.db2.gz VJYRTGCJWHVVHI-GDLZYMKVSA-N 1 2 538.652 4.928 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374780 551654942 /nfs/dbraw/zinc/65/49/42/551654942.db2.gz VJYRTGCJWHVVHI-GDLZYMKVSA-N 1 2 538.652 4.928 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374782 551654951 /nfs/dbraw/zinc/65/49/51/551654951.db2.gz CJBNZHIFMNWQCU-SANMLTNESA-N 1 2 514.655 4.981 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374782 551654949 /nfs/dbraw/zinc/65/49/49/551654949.db2.gz CJBNZHIFMNWQCU-SANMLTNESA-N 1 2 514.655 4.981 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374783 551655034 /nfs/dbraw/zinc/65/50/34/551655034.db2.gz CJBNZHIFMNWQCU-AREMUKBSSA-N 1 2 514.655 4.981 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374783 551655032 /nfs/dbraw/zinc/65/50/32/551655032.db2.gz CJBNZHIFMNWQCU-AREMUKBSSA-N 1 2 514.655 4.981 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374825 551655401 /nfs/dbraw/zinc/65/54/01/551655401.db2.gz SXDJITBAGQBLRU-VWLOTQADSA-N 1 2 514.630 4.863 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374825 551655399 /nfs/dbraw/zinc/65/53/99/551655399.db2.gz SXDJITBAGQBLRU-VWLOTQADSA-N 1 2 514.630 4.863 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374826 551655283 /nfs/dbraw/zinc/65/52/83/551655283.db2.gz SXDJITBAGQBLRU-RUZDIDTESA-N 1 2 514.630 4.863 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374826 551655280 /nfs/dbraw/zinc/65/52/80/551655280.db2.gz SXDJITBAGQBLRU-RUZDIDTESA-N 1 2 514.630 4.863 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374828 551655416 /nfs/dbraw/zinc/65/54/16/551655416.db2.gz NKEXTTSGFKDINO-MHZLTWQESA-N 1 2 536.636 4.796 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374828 551655414 /nfs/dbraw/zinc/65/54/14/551655414.db2.gz NKEXTTSGFKDINO-MHZLTWQESA-N 1 2 536.636 4.796 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374829 551655394 /nfs/dbraw/zinc/65/53/94/551655394.db2.gz NKEXTTSGFKDINO-HHHXNRCGSA-N 1 2 536.636 4.796 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374829 551655392 /nfs/dbraw/zinc/65/53/92/551655392.db2.gz NKEXTTSGFKDINO-HHHXNRCGSA-N 1 2 536.636 4.796 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374832 551655357 /nfs/dbraw/zinc/65/53/57/551655357.db2.gz AVMRYEQPBBJVFL-SANMLTNESA-N 1 2 540.599 4.627 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374832 551655353 /nfs/dbraw/zinc/65/53/53/551655353.db2.gz AVMRYEQPBBJVFL-SANMLTNESA-N 1 2 540.599 4.627 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374833 551655262 /nfs/dbraw/zinc/65/52/62/551655262.db2.gz AVMRYEQPBBJVFL-AREMUKBSSA-N 1 2 540.599 4.627 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374833 551655260 /nfs/dbraw/zinc/65/52/60/551655260.db2.gz AVMRYEQPBBJVFL-AREMUKBSSA-N 1 2 540.599 4.627 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374840 551655438 /nfs/dbraw/zinc/65/54/38/551655438.db2.gz ZZJBUPQOWAWSRN-DEOSSOPVSA-N 1 2 546.628 4.688 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374840 551655436 /nfs/dbraw/zinc/65/54/36/551655436.db2.gz ZZJBUPQOWAWSRN-DEOSSOPVSA-N 1 2 546.628 4.688 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374841 551655433 /nfs/dbraw/zinc/65/54/33/551655433.db2.gz ZZJBUPQOWAWSRN-XMMPIXPASA-N 1 2 546.628 4.688 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374841 551655431 /nfs/dbraw/zinc/65/54/31/551655431.db2.gz ZZJBUPQOWAWSRN-XMMPIXPASA-N 1 2 546.628 4.688 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374884 551655346 /nfs/dbraw/zinc/65/53/46/551655346.db2.gz QBGZYZOZILQKHQ-MHZLTWQESA-N 1 2 554.626 4.821 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374884 551655341 /nfs/dbraw/zinc/65/53/41/551655341.db2.gz QBGZYZOZILQKHQ-MHZLTWQESA-N 1 2 554.626 4.821 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374885 551655610 /nfs/dbraw/zinc/65/56/10/551655610.db2.gz QBGZYZOZILQKHQ-HHHXNRCGSA-N 1 2 554.626 4.821 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374885 551655608 /nfs/dbraw/zinc/65/56/08/551655608.db2.gz QBGZYZOZILQKHQ-HHHXNRCGSA-N 1 2 554.626 4.821 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374892 551655577 /nfs/dbraw/zinc/65/55/77/551655577.db2.gz AIJWEAXCPLQIJQ-VWLOTQADSA-N 1 2 542.665 4.744 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374892 551655575 /nfs/dbraw/zinc/65/55/75/551655575.db2.gz AIJWEAXCPLQIJQ-VWLOTQADSA-N 1 2 542.665 4.744 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374893 551655551 /nfs/dbraw/zinc/65/55/51/551655551.db2.gz AIJWEAXCPLQIJQ-RUZDIDTESA-N 1 2 542.665 4.744 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374893 551655550 /nfs/dbraw/zinc/65/55/50/551655550.db2.gz AIJWEAXCPLQIJQ-RUZDIDTESA-N 1 2 542.665 4.744 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374908 551655584 /nfs/dbraw/zinc/65/55/84/551655584.db2.gz PDGAJRSWJQDKMP-QHCPKHFHSA-N 1 2 522.625 4.970 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374908 551655582 /nfs/dbraw/zinc/65/55/82/551655582.db2.gz PDGAJRSWJQDKMP-QHCPKHFHSA-N 1 2 522.625 4.970 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374909 551655616 /nfs/dbraw/zinc/65/56/16/551655616.db2.gz PDGAJRSWJQDKMP-HSZRJFAPSA-N 1 2 522.625 4.970 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374909 551655615 /nfs/dbraw/zinc/65/56/15/551655615.db2.gz PDGAJRSWJQDKMP-HSZRJFAPSA-N 1 2 522.625 4.970 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374912 551655633 /nfs/dbraw/zinc/65/56/33/551655633.db2.gz FJVQUYITSISPDB-DEOSSOPVSA-N 1 2 534.661 4.839 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374912 551655631 /nfs/dbraw/zinc/65/56/31/551655631.db2.gz FJVQUYITSISPDB-DEOSSOPVSA-N 1 2 534.661 4.839 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374913 551655519 /nfs/dbraw/zinc/65/55/19/551655519.db2.gz FJVQUYITSISPDB-XMMPIXPASA-N 1 2 534.661 4.839 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374913 551655517 /nfs/dbraw/zinc/65/55/17/551655517.db2.gz FJVQUYITSISPDB-XMMPIXPASA-N 1 2 534.661 4.839 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374916 551655488 /nfs/dbraw/zinc/65/54/88/551655488.db2.gz GMXACRQBHGJWIC-QFIPXVFZSA-N 1 2 548.644 4.559 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374916 551655485 /nfs/dbraw/zinc/65/54/85/551655485.db2.gz GMXACRQBHGJWIC-QFIPXVFZSA-N 1 2 548.644 4.559 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374917 551655637 /nfs/dbraw/zinc/65/56/37/551655637.db2.gz GMXACRQBHGJWIC-JOCHJYFZSA-N 1 2 548.644 4.559 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374917 551655636 /nfs/dbraw/zinc/65/56/36/551655636.db2.gz 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ZINC000001374989 551656056 /nfs/dbraw/zinc/65/60/56/551656056.db2.gz GJVTWAYIWGIJHD-AREMUKBSSA-N 1 2 582.661 4.657 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374989 551656054 /nfs/dbraw/zinc/65/60/54/551656054.db2.gz GJVTWAYIWGIJHD-AREMUKBSSA-N 1 2 582.661 4.657 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374992 551655919 /nfs/dbraw/zinc/65/59/19/551655919.db2.gz HWZAEOIPNURTSP-VWLOTQADSA-N 1 2 544.681 4.990 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374992 551655916 /nfs/dbraw/zinc/65/59/16/551655916.db2.gz HWZAEOIPNURTSP-VWLOTQADSA-N 1 2 544.681 4.990 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374993 551656028 /nfs/dbraw/zinc/65/60/28/551656028.db2.gz HWZAEOIPNURTSP-RUZDIDTESA-N 1 2 544.681 4.990 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374993 551656027 /nfs/dbraw/zinc/65/60/27/551656027.db2.gz HWZAEOIPNURTSP-RUZDIDTESA-N 1 2 544.681 4.990 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375008 551655952 /nfs/dbraw/zinc/65/59/52/551655952.db2.gz QZRADRXBXNUSHR-QHCPKHFHSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375008 551655950 /nfs/dbraw/zinc/65/59/50/551655950.db2.gz QZRADRXBXNUSHR-QHCPKHFHSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375009 551655969 /nfs/dbraw/zinc/65/59/69/551655969.db2.gz QZRADRXBXNUSHR-HSZRJFAPSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375009 551655967 /nfs/dbraw/zinc/65/59/67/551655967.db2.gz QZRADRXBXNUSHR-HSZRJFAPSA-N 1 2 502.619 4.769 40 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551657229 /nfs/dbraw/zinc/65/72/29/551657229.db2.gz PEOXBMIYQBNPMY-DEOSSOPVSA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375505 551657228 /nfs/dbraw/zinc/65/72/28/551657228.db2.gz PEOXBMIYQBNPMY-DEOSSOPVSA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375506 551657369 /nfs/dbraw/zinc/65/73/69/551657369.db2.gz PEOXBMIYQBNPMY-XMMPIXPASA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375506 551657366 /nfs/dbraw/zinc/65/73/66/551657366.db2.gz PEOXBMIYQBNPMY-XMMPIXPASA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375552 551657297 /nfs/dbraw/zinc/65/72/97/551657297.db2.gz VEDBQLGOVFGQIB-QFIPXVFZSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375552 551657295 /nfs/dbraw/zinc/65/72/95/551657295.db2.gz VEDBQLGOVFGQIB-QFIPXVFZSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375553 551657223 /nfs/dbraw/zinc/65/72/23/551657223.db2.gz VEDBQLGOVFGQIB-JOCHJYFZSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375553 551657221 /nfs/dbraw/zinc/65/72/21/551657221.db2.gz VEDBQLGOVFGQIB-JOCHJYFZSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375631 551657429 /nfs/dbraw/zinc/65/74/29/551657429.db2.gz YMKQTRZDDKGKAM-SANMLTNESA-N 1 2 512.614 4.935 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375631 551657427 /nfs/dbraw/zinc/65/74/27/551657427.db2.gz YMKQTRZDDKGKAM-SANMLTNESA-N 1 2 512.614 4.935 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375632 551657417 /nfs/dbraw/zinc/65/74/17/551657417.db2.gz YMKQTRZDDKGKAM-AREMUKBSSA-N 1 2 512.614 4.935 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375632 551657413 /nfs/dbraw/zinc/65/74/13/551657413.db2.gz YMKQTRZDDKGKAM-AREMUKBSSA-N 1 2 512.614 4.935 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375635 551657532 /nfs/dbraw/zinc/65/75/32/551657532.db2.gz WYMHXUVRKJVQKJ-DEOSSOPVSA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375635 551657528 /nfs/dbraw/zinc/65/75/28/551657528.db2.gz WYMHXUVRKJVQKJ-DEOSSOPVSA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375636 551657542 /nfs/dbraw/zinc/65/75/42/551657542.db2.gz WYMHXUVRKJVQKJ-XMMPIXPASA-N 1 2 526.597 4.655 40 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40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375887 551657813 /nfs/dbraw/zinc/65/78/13/551657813.db2.gz HUNYCQYHGVCJCK-XMMPIXPASA-N 1 2 544.637 4.515 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375887 551657811 /nfs/dbraw/zinc/65/78/11/551657811.db2.gz HUNYCQYHGVCJCK-XMMPIXPASA-N 1 2 544.637 4.515 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375888 551657830 /nfs/dbraw/zinc/65/78/30/551657830.db2.gz HUNYCQYHGVCJCK-DEOSSOPVSA-N 1 2 544.637 4.515 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375888 551657829 /nfs/dbraw/zinc/65/78/29/551657829.db2.gz HUNYCQYHGVCJCK-DEOSSOPVSA-N 1 2 544.637 4.515 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375892 551657901 /nfs/dbraw/zinc/65/79/01/551657901.db2.gz YMKFXONULMGDNC-XMMPIXPASA-N 1 2 528.638 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CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006149190 552549933 /nfs/dbraw/zinc/54/99/33/552549933.db2.gz WZDSAGMZFRVKDF-AREMUKBSSA-N 1 2 500.647 4.712 40 0 KJABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006149383 552550351 /nfs/dbraw/zinc/55/03/51/552550351.db2.gz MZYPUBJWTJDBFX-MHZLTWQESA-N 1 2 530.673 4.721 40 0 KJABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006149476 552550535 /nfs/dbraw/zinc/55/05/35/552550535.db2.gz WZDSAGMZFRVKDF-SANMLTNESA-N 1 2 500.647 4.712 40 0 KJABLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1 ZINC000006173205 552559031 /nfs/dbraw/zinc/55/90/31/552559031.db2.gz XWEWQWRKEFJYDP-UHFFFAOYSA-N 1 2 530.675 4.558 40 0 KJABLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1 ZINC000006173205 552559030 /nfs/dbraw/zinc/55/90/30/552559030.db2.gz XWEWQWRKEFJYDP-UHFFFAOYSA-N 1 2 530.675 4.558 40 0 KJABLO Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000006173207 552559026 /nfs/dbraw/zinc/55/90/26/552559026.db2.gz NKLRIWBLQWSJGP-UHFFFAOYSA-N 1 2 544.702 4.867 40 0 KJABLO Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3C2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000006173207 552559025 /nfs/dbraw/zinc/55/90/25/552559025.db2.gz NKLRIWBLQWSJGP-UHFFFAOYSA-N 1 2 544.702 4.867 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000006196880 552569163 /nfs/dbraw/zinc/56/91/63/552569163.db2.gz GFZPFIMXLANEKY-LJAQVGFWSA-N 1 2 536.611 4.979 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000006196880 552569162 /nfs/dbraw/zinc/56/91/62/552569162.db2.gz GFZPFIMXLANEKY-LJAQVGFWSA-N 1 2 536.611 4.979 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000006197030 552569333 /nfs/dbraw/zinc/56/93/33/552569333.db2.gz GFZPFIMXLANEKY-GDLZYMKVSA-N 1 2 536.611 4.979 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000006197030 552569332 /nfs/dbraw/zinc/56/93/32/552569332.db2.gz GFZPFIMXLANEKY-GDLZYMKVSA-N 1 2 536.611 4.979 40 0 KJABLO COc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239464 552572730 /nfs/dbraw/zinc/57/27/30/552572730.db2.gz XZZMRGBVKJCBGT-NDEPHWFRSA-N 1 2 528.657 4.691 40 0 KJABLO COc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239507 552572933 /nfs/dbraw/zinc/57/29/33/552572933.db2.gz XZZMRGBVKJCBGT-MUUNZHRXSA-N 1 2 528.657 4.691 40 0 KJABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282639 552577707 /nfs/dbraw/zinc/57/77/07/552577707.db2.gz SYGXAWHQTPUJOG-LJAQVGFWSA-N 1 2 538.627 4.755 40 0 KJABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282648 552577766 /nfs/dbraw/zinc/57/77/66/552577766.db2.gz OMHOQFBRSZMERL-LJAQVGFWSA-N 1 2 520.637 4.616 40 0 KJABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282726 552577926 /nfs/dbraw/zinc/57/79/26/552577926.db2.gz SYGXAWHQTPUJOG-GDLZYMKVSA-N 1 2 538.627 4.755 40 0 KJABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282736 552577974 /nfs/dbraw/zinc/57/79/74/552577974.db2.gz OMHOQFBRSZMERL-GDLZYMKVSA-N 1 2 520.637 4.616 40 0 KJABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282876 552578186 /nfs/dbraw/zinc/57/81/86/552578186.db2.gz YIKMMBAALNTOCS-LJAQVGFWSA-N 1 2 520.637 4.616 40 0 KJABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282940 552578201 /nfs/dbraw/zinc/57/82/01/552578201.db2.gz YIKMMBAALNTOCS-GDLZYMKVSA-N 1 2 520.637 4.616 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006321051 552580766 /nfs/dbraw/zinc/58/07/66/552580766.db2.gz ZJNNTHZYCGNOCR-LJAQVGFWSA-N 1 2 540.643 4.751 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006321051 552580764 /nfs/dbraw/zinc/58/07/64/552580764.db2.gz ZJNNTHZYCGNOCR-LJAQVGFWSA-N 1 2 540.643 4.751 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006321286 552581104 /nfs/dbraw/zinc/58/11/04/552581104.db2.gz ZJNNTHZYCGNOCR-GDLZYMKVSA-N 1 2 540.643 4.751 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006321286 552581103 /nfs/dbraw/zinc/58/11/03/552581103.db2.gz ZJNNTHZYCGNOCR-GDLZYMKVSA-N 1 2 540.643 4.751 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006322104 552581499 /nfs/dbraw/zinc/58/14/99/552581499.db2.gz FPKBLHWKRZVGEN-LJAQVGFWSA-N 1 2 540.643 4.751 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006322104 552581497 /nfs/dbraw/zinc/58/14/97/552581497.db2.gz FPKBLHWKRZVGEN-LJAQVGFWSA-N 1 2 540.643 4.751 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006405632 552582295 /nfs/dbraw/zinc/58/22/95/552582295.db2.gz FPKBLHWKRZVGEN-GDLZYMKVSA-N 1 2 540.643 4.751 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000006405632 552582293 /nfs/dbraw/zinc/58/22/93/552582293.db2.gz FPKBLHWKRZVGEN-GDLZYMKVSA-N 1 2 540.643 4.751 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006408739 552582957 /nfs/dbraw/zinc/58/29/57/552582957.db2.gz ANMYSNUGOPZHOD-FIBWVYCGSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006408739 552582956 /nfs/dbraw/zinc/58/29/56/552582956.db2.gz ANMYSNUGOPZHOD-FIBWVYCGSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006408742 552582977 /nfs/dbraw/zinc/58/29/77/552582977.db2.gz ZQGUXUJMXRFJBL-CUBQBAPOSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006408742 552582976 /nfs/dbraw/zinc/58/29/76/552582976.db2.gz ZQGUXUJMXRFJBL-CUBQBAPOSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006408784 552582942 /nfs/dbraw/zinc/58/29/42/552582942.db2.gz ANMYSNUGOPZHOD-OFSOJUDTSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006408784 552582940 /nfs/dbraw/zinc/58/29/40/552582940.db2.gz ANMYSNUGOPZHOD-OFSOJUDTSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006408786 552582963 /nfs/dbraw/zinc/58/29/63/552582963.db2.gz ZQGUXUJMXRFJBL-YWEHKCAJSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006408786 552582962 /nfs/dbraw/zinc/58/29/62/552582962.db2.gz ZQGUXUJMXRFJBL-YWEHKCAJSA-N 1 2 540.693 4.898 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006408872 552582947 /nfs/dbraw/zinc/58/29/47/552582947.db2.gz XKKMFKJPRQKXBH-PMERELPUSA-N 1 2 534.664 4.924 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006408908 552583228 /nfs/dbraw/zinc/58/32/28/552583228.db2.gz MTUBWTSOACSLIQ-LJAQVGFWSA-N 1 2 504.638 4.915 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006409181 552583182 /nfs/dbraw/zinc/58/31/82/552583182.db2.gz ANMYSNUGOPZHOD-BHBYDHKZSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006409181 552583180 /nfs/dbraw/zinc/58/31/80/552583180.db2.gz ANMYSNUGOPZHOD-BHBYDHKZSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006409183 552583171 /nfs/dbraw/zinc/58/31/71/552583171.db2.gz ZQGUXUJMXRFJBL-RBJSKKJNSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006409183 552583170 /nfs/dbraw/zinc/58/31/70/552583170.db2.gz ZQGUXUJMXRFJBL-RBJSKKJNSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006409237 552583166 /nfs/dbraw/zinc/58/31/66/552583166.db2.gz ANMYSNUGOPZHOD-POURPWNDSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000006409237 552583165 /nfs/dbraw/zinc/58/31/65/552583165.db2.gz ANMYSNUGOPZHOD-POURPWNDSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006409239 552583207 /nfs/dbraw/zinc/58/32/07/552583207.db2.gz ZQGUXUJMXRFJBL-UFHPHHKVSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)cc2c1 ZINC000006409239 552583204 /nfs/dbraw/zinc/58/32/04/552583204.db2.gz ZQGUXUJMXRFJBL-UFHPHHKVSA-N 1 2 540.693 4.898 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000006409322 552583398 /nfs/dbraw/zinc/58/33/98/552583398.db2.gz XKKMFKJPRQKXBH-SSEXGKCCSA-N 1 2 534.664 4.924 40 0 KJABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006409353 552583349 /nfs/dbraw/zinc/58/33/49/552583349.db2.gz MTUBWTSOACSLIQ-GDLZYMKVSA-N 1 2 504.638 4.915 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006409860 552583743 /nfs/dbraw/zinc/58/37/43/552583743.db2.gz MIBKPXMYTKFBKW-NDEPHWFRSA-N 1 2 543.071 4.957 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006409860 552583742 /nfs/dbraw/zinc/58/37/42/552583742.db2.gz MIBKPXMYTKFBKW-NDEPHWFRSA-N 1 2 543.071 4.957 40 0 KJABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409877 552583754 /nfs/dbraw/zinc/58/37/54/552583754.db2.gz FYOBLUPWYNLWDP-CUBQBAPOSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409877 552583753 /nfs/dbraw/zinc/58/37/53/552583753.db2.gz FYOBLUPWYNLWDP-CUBQBAPOSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409890 552583786 /nfs/dbraw/zinc/58/37/86/552583786.db2.gz FYOBLUPWYNLWDP-YWEHKCAJSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006409890 552583784 /nfs/dbraw/zinc/58/37/84/552583784.db2.gz FYOBLUPWYNLWDP-YWEHKCAJSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006409931 552583814 /nfs/dbraw/zinc/58/38/14/552583814.db2.gz QJHZQKLNKHFLSS-LJAQVGFWSA-N 1 2 504.638 4.915 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006410016 552584113 /nfs/dbraw/zinc/58/41/13/552584113.db2.gz MIBKPXMYTKFBKW-MUUNZHRXSA-N 1 2 543.071 4.957 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006410016 552584112 /nfs/dbraw/zinc/58/41/12/552584112.db2.gz MIBKPXMYTKFBKW-MUUNZHRXSA-N 1 2 543.071 4.957 40 0 KJABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006410040 552584100 /nfs/dbraw/zinc/58/41/00/552584100.db2.gz FYOBLUPWYNLWDP-RBJSKKJNSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006410040 552584099 /nfs/dbraw/zinc/58/40/99/552584099.db2.gz FYOBLUPWYNLWDP-RBJSKKJNSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006410061 552584106 /nfs/dbraw/zinc/58/41/06/552584106.db2.gz FYOBLUPWYNLWDP-UFHPHHKVSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c2c1 ZINC000006410061 552584105 /nfs/dbraw/zinc/58/41/05/552584105.db2.gz FYOBLUPWYNLWDP-UFHPHHKVSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006410123 552584214 /nfs/dbraw/zinc/58/42/14/552584214.db2.gz QJHZQKLNKHFLSS-GDLZYMKVSA-N 1 2 504.638 4.915 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006443687 552585726 /nfs/dbraw/zinc/58/57/26/552585726.db2.gz LGJSVEUMTOPIEL-NDEPHWFRSA-N 1 2 543.071 4.957 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006443687 552585725 /nfs/dbraw/zinc/58/57/25/552585725.db2.gz LGJSVEUMTOPIEL-NDEPHWFRSA-N 1 2 543.071 4.957 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006443730 552585965 /nfs/dbraw/zinc/58/59/65/552585965.db2.gz AWIAWYZYPVBTFB-FIBWVYCGSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006443730 552585963 /nfs/dbraw/zinc/58/59/63/552585963.db2.gz AWIAWYZYPVBTFB-FIBWVYCGSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000006443732 552585951 /nfs/dbraw/zinc/58/59/51/552585951.db2.gz KZXDPPGZSAVNEA-CUBQBAPOSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000006443732 552585948 /nfs/dbraw/zinc/58/59/48/552585948.db2.gz KZXDPPGZSAVNEA-CUBQBAPOSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006443762 552585863 /nfs/dbraw/zinc/58/58/63/552585863.db2.gz AWIAWYZYPVBTFB-OFSOJUDTSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006443762 552585861 /nfs/dbraw/zinc/58/58/61/552585861.db2.gz AWIAWYZYPVBTFB-OFSOJUDTSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000006443764 552585886 /nfs/dbraw/zinc/58/58/86/552585886.db2.gz KZXDPPGZSAVNEA-YWEHKCAJSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000006443764 552585883 /nfs/dbraw/zinc/58/58/83/552585883.db2.gz KZXDPPGZSAVNEA-YWEHKCAJSA-N 1 2 540.693 4.898 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000006443821 552585904 /nfs/dbraw/zinc/58/59/04/552585904.db2.gz AAYGVXBDOBOZQR-LJAQVGFWSA-N 1 2 536.611 4.898 40 0 KJABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000006443821 552585901 /nfs/dbraw/zinc/58/59/01/552585901.db2.gz AAYGVXBDOBOZQR-LJAQVGFWSA-N 1 2 536.611 4.898 40 0 KJABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000006443861 552586113 /nfs/dbraw/zinc/58/61/13/552586113.db2.gz JVWUQIQCGUAYPW-LJAQVGFWSA-N 1 2 504.638 4.915 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006443992 552586374 /nfs/dbraw/zinc/58/63/74/552586374.db2.gz LGJSVEUMTOPIEL-MUUNZHRXSA-N 1 2 543.071 4.957 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000006443992 552586372 /nfs/dbraw/zinc/58/63/72/552586372.db2.gz LGJSVEUMTOPIEL-MUUNZHRXSA-N 1 2 543.071 4.957 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006444029 552586512 /nfs/dbraw/zinc/58/65/12/552586512.db2.gz AWIAWYZYPVBTFB-BHBYDHKZSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006444029 552586510 /nfs/dbraw/zinc/58/65/10/552586510.db2.gz AWIAWYZYPVBTFB-BHBYDHKZSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000006444031 552586465 /nfs/dbraw/zinc/58/64/65/552586465.db2.gz KZXDPPGZSAVNEA-RBJSKKJNSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000006444031 552586464 /nfs/dbraw/zinc/58/64/64/552586464.db2.gz KZXDPPGZSAVNEA-RBJSKKJNSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006444053 552586489 /nfs/dbraw/zinc/58/64/89/552586489.db2.gz AWIAWYZYPVBTFB-POURPWNDSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12 ZINC000006444053 552586487 /nfs/dbraw/zinc/58/64/87/552586487.db2.gz AWIAWYZYPVBTFB-POURPWNDSA-N 1 2 534.664 4.836 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000006444055 552586531 /nfs/dbraw/zinc/58/65/31/552586531.db2.gz KZXDPPGZSAVNEA-UFHPHHKVSA-N 1 2 540.693 4.898 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000006444055 552586529 /nfs/dbraw/zinc/58/65/29/552586529.db2.gz KZXDPPGZSAVNEA-UFHPHHKVSA-N 1 2 540.693 4.898 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000006444105 552586762 /nfs/dbraw/zinc/58/67/62/552586762.db2.gz AAYGVXBDOBOZQR-GDLZYMKVSA-N 1 2 536.611 4.898 40 0 KJABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000006444105 552586760 /nfs/dbraw/zinc/58/67/60/552586760.db2.gz AAYGVXBDOBOZQR-GDLZYMKVSA-N 1 2 536.611 4.898 40 0 KJABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000006444132 552586750 /nfs/dbraw/zinc/58/67/50/552586750.db2.gz JVWUQIQCGUAYPW-GDLZYMKVSA-N 1 2 504.638 4.915 40 0 KJABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446388 552589056 /nfs/dbraw/zinc/58/90/56/552589056.db2.gz XKIGEJOVLNHRIA-NDEPHWFRSA-N 1 2 526.641 4.793 40 0 KJABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446395 552589059 /nfs/dbraw/zinc/58/90/59/552589059.db2.gz XKIGEJOVLNHRIA-MUUNZHRXSA-N 1 2 526.641 4.793 40 0 KJABLO CCC(CC)c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2cccs2)nc(-c2ccncc2)n1 ZINC000008623021 560209824 /nfs/dbraw/zinc/20/98/24/560209824.db2.gz RJXJONPQVMRFIV-BDTNDASRSA-N 1 2 511.717 4.660 40 0 biogenic,in-vitro KJABLO COC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccccc1Cl)CCCC2 ZINC000008677184 553111768 /nfs/dbraw/zinc/11/17/68/553111768.db2.gz GDRUMFWNIHIXJX-UHFFFAOYSA-N 1 2 514.032 4.927 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000009281705 553233590 /nfs/dbraw/zinc/23/35/90/553233590.db2.gz RHERRZJDVNWUSM-MCPPRULHSA-N 1 2 512.672 4.729 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000009281705 553233587 /nfs/dbraw/zinc/23/35/87/553233587.db2.gz RHERRZJDVNWUSM-MCPPRULHSA-N 1 2 512.672 4.729 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000009281707 553233627 /nfs/dbraw/zinc/23/36/27/553233627.db2.gz RHERRZJDVNWUSM-LQCMOVKCSA-N 1 2 512.672 4.729 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000009281707 553233624 /nfs/dbraw/zinc/23/36/24/553233624.db2.gz RHERRZJDVNWUSM-LQCMOVKCSA-N 1 2 512.672 4.729 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000009281708 553233601 /nfs/dbraw/zinc/23/36/01/553233601.db2.gz RHERRZJDVNWUSM-ZNFSXRAMSA-N 1 2 512.672 4.729 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000009281708 553233599 /nfs/dbraw/zinc/23/35/99/553233599.db2.gz RHERRZJDVNWUSM-ZNFSXRAMSA-N 1 2 512.672 4.729 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000009303334 553236592 /nfs/dbraw/zinc/23/65/92/553236592.db2.gz BZEBSKPDAZNBEI-MHLNXUHPSA-N 1 2 500.636 4.859 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000009303334 553236590 /nfs/dbraw/zinc/23/65/90/553236590.db2.gz BZEBSKPDAZNBEI-MHLNXUHPSA-N 1 2 500.636 4.859 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000009318297 553241152 /nfs/dbraw/zinc/24/11/52/553241152.db2.gz RHERRZJDVNWUSM-QLADTWODSA-N 1 2 512.672 4.729 40 0 KJABLO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000009318297 553241150 /nfs/dbraw/zinc/24/11/50/553241150.db2.gz RHERRZJDVNWUSM-QLADTWODSA-N 1 2 512.672 4.729 40 0 KJABLO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009319387 553241621 /nfs/dbraw/zinc/24/16/21/553241621.db2.gz ZKJXRHVXXVVYBF-JBXUNAHCSA-N 1 2 506.002 4.631 40 0 KJABLO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009319387 553241620 /nfs/dbraw/zinc/24/16/20/553241620.db2.gz ZKJXRHVXXVVYBF-JBXUNAHCSA-N 1 2 506.002 4.631 40 0 KJABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009319388 553241615 /nfs/dbraw/zinc/24/16/15/553241615.db2.gz ZKJXRHVXXVVYBF-CXSMSNRLSA-N 1 2 506.002 4.631 40 0 KJABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009319388 553241612 /nfs/dbraw/zinc/24/16/12/553241612.db2.gz ZKJXRHVXXVVYBF-CXSMSNRLSA-N 1 2 506.002 4.631 40 0 KJABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccc(C)c(C)c1)CCC2 ZINC000012643269 553408614 /nfs/dbraw/zinc/40/86/14/553408614.db2.gz GWQJSNULBSHBGD-UHFFFAOYSA-N 1 2 507.641 4.890 40 0 KJABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccccc1Cl)CCC2 ZINC000012643416 553408639 /nfs/dbraw/zinc/40/86/39/553408639.db2.gz OKSJHRDNUMFPEY-UHFFFAOYSA-N 1 2 514.032 4.927 40 0 KJABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccc(OC)cc1)CCCC2 ZINC000012643570 553408673 /nfs/dbraw/zinc/40/86/73/553408673.db2.gz DIGLFDKUJNRABG-UHFFFAOYSA-N 1 2 523.640 4.672 40 0 KJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494290 553460096 /nfs/dbraw/zinc/46/00/96/553460096.db2.gz BETAXOYBPFTYCD-UHFFFAOYSA-N 1 2 506.654 4.927 40 0 KJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494290 553460094 /nfs/dbraw/zinc/46/00/94/553460094.db2.gz BETAXOYBPFTYCD-UHFFFAOYSA-N 1 2 506.654 4.927 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494461 553460046 /nfs/dbraw/zinc/46/00/46/553460046.db2.gz GMWSLHAGNUYHRM-VWLOTQADSA-N 1 2 504.635 4.830 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494461 553460044 /nfs/dbraw/zinc/46/00/44/553460044.db2.gz GMWSLHAGNUYHRM-VWLOTQADSA-N 1 2 504.635 4.830 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494462 553460086 /nfs/dbraw/zinc/46/00/86/553460086.db2.gz GMWSLHAGNUYHRM-RUZDIDTESA-N 1 2 504.635 4.830 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494462 553460085 /nfs/dbraw/zinc/46/00/85/553460085.db2.gz GMWSLHAGNUYHRM-RUZDIDTESA-N 1 2 504.635 4.830 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494479 553460072 /nfs/dbraw/zinc/46/00/72/553460072.db2.gz XCVWEDLNDMVXSU-JOCHJYFZSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494479 553460070 /nfs/dbraw/zinc/46/00/70/553460070.db2.gz XCVWEDLNDMVXSU-JOCHJYFZSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494480 553460082 /nfs/dbraw/zinc/46/00/82/553460082.db2.gz XCVWEDLNDMVXSU-QFIPXVFZSA-N 1 2 502.619 4.769 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494480 553460080 /nfs/dbraw/zinc/46/00/80/553460080.db2.gz XCVWEDLNDMVXSU-QFIPXVFZSA-N 1 2 502.619 4.769 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494482 553460029 /nfs/dbraw/zinc/46/00/29/553460029.db2.gz QYMRFGNLLGZBQP-QHCPKHFHSA-N 1 2 518.618 4.551 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494482 553460028 /nfs/dbraw/zinc/46/00/28/553460028.db2.gz QYMRFGNLLGZBQP-QHCPKHFHSA-N 1 2 518.618 4.551 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494484 553460364 /nfs/dbraw/zinc/46/03/64/553460364.db2.gz QYMRFGNLLGZBQP-HSZRJFAPSA-N 1 2 518.618 4.551 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494484 553460362 /nfs/dbraw/zinc/46/03/62/553460362.db2.gz QYMRFGNLLGZBQP-HSZRJFAPSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494827 553460637 /nfs/dbraw/zinc/46/06/37/553460637.db2.gz FCECFBPQSOJGKN-IZZNHLLZSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494827 553460636 /nfs/dbraw/zinc/46/06/36/553460636.db2.gz FCECFBPQSOJGKN-IZZNHLLZSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494828 553460666 /nfs/dbraw/zinc/46/06/66/553460666.db2.gz FCECFBPQSOJGKN-UIOOFZCWSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494828 553460664 /nfs/dbraw/zinc/46/06/64/553460664.db2.gz FCECFBPQSOJGKN-UIOOFZCWSA-N 1 2 500.647 4.772 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013494859 553460864 /nfs/dbraw/zinc/46/08/64/553460864.db2.gz XPVMHRXQXGGDEF-BDYUSTAISA-N 1 2 516.646 4.554 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013494859 553460862 /nfs/dbraw/zinc/46/08/62/553460862.db2.gz XPVMHRXQXGGDEF-BDYUSTAISA-N 1 2 516.646 4.554 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013494861 553460871 /nfs/dbraw/zinc/46/08/71/553460871.db2.gz XPVMHRXQXGGDEF-AHKZPQOWSA-N 1 2 516.646 4.554 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013494861 553460870 /nfs/dbraw/zinc/46/08/70/553460870.db2.gz XPVMHRXQXGGDEF-AHKZPQOWSA-N 1 2 516.646 4.554 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494871 553460835 /nfs/dbraw/zinc/46/08/35/553460835.db2.gz IQLZLMRDKZLMQQ-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494871 553460833 /nfs/dbraw/zinc/46/08/33/553460833.db2.gz IQLZLMRDKZLMQQ-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494873 553460820 /nfs/dbraw/zinc/46/08/20/553460820.db2.gz IQLZLMRDKZLMQQ-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494873 553460818 /nfs/dbraw/zinc/46/08/18/553460818.db2.gz IQLZLMRDKZLMQQ-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494875 553460815 /nfs/dbraw/zinc/46/08/15/553460815.db2.gz JPTFFYUOVCCBHV-XMMPIXPASA-N 1 2 500.603 4.820 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494875 553460814 /nfs/dbraw/zinc/46/08/14/553460814.db2.gz JPTFFYUOVCCBHV-XMMPIXPASA-N 1 2 500.603 4.820 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494877 553460793 /nfs/dbraw/zinc/46/07/93/553460793.db2.gz JPTFFYUOVCCBHV-DEOSSOPVSA-N 1 2 500.603 4.820 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494877 553460791 /nfs/dbraw/zinc/46/07/91/553460791.db2.gz JPTFFYUOVCCBHV-DEOSSOPVSA-N 1 2 500.603 4.820 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494883 553460850 /nfs/dbraw/zinc/46/08/50/553460850.db2.gz GUIUCXMYXQHQOP-AREMUKBSSA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494883 553460848 /nfs/dbraw/zinc/46/08/48/553460848.db2.gz GUIUCXMYXQHQOP-AREMUKBSSA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494885 553460811 /nfs/dbraw/zinc/46/08/11/553460811.db2.gz GUIUCXMYXQHQOP-SANMLTNESA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494885 553460809 /nfs/dbraw/zinc/46/08/09/553460809.db2.gz GUIUCXMYXQHQOP-SANMLTNESA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495037 553461172 /nfs/dbraw/zinc/46/11/72/553461172.db2.gz FVJINTRGXNXVRC-LOSJGSFVSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495037 553461171 /nfs/dbraw/zinc/46/11/71/553461171.db2.gz FVJINTRGXNXVRC-LOSJGSFVSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495039 553461028 /nfs/dbraw/zinc/46/10/28/553461028.db2.gz FVJINTRGXNXVRC-DQEYMECFSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495039 553461026 /nfs/dbraw/zinc/46/10/26/553461026.db2.gz FVJINTRGXNXVRC-DQEYMECFSA-N 1 2 504.610 4.603 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495073 553461337 /nfs/dbraw/zinc/46/13/37/553461337.db2.gz INOSTHBRCVTSHZ-SANMLTNESA-N 1 2 516.577 4.847 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495073 553461336 /nfs/dbraw/zinc/46/13/36/553461336.db2.gz INOSTHBRCVTSHZ-SANMLTNESA-N 1 2 516.577 4.847 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495075 553461402 /nfs/dbraw/zinc/46/14/02/553461402.db2.gz INOSTHBRCVTSHZ-AREMUKBSSA-N 1 2 516.577 4.847 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495075 553461400 /nfs/dbraw/zinc/46/14/00/553461400.db2.gz INOSTHBRCVTSHZ-AREMUKBSSA-N 1 2 516.577 4.847 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495081 553461370 /nfs/dbraw/zinc/46/13/70/553461370.db2.gz IGOVKSYUDMDRIL-JOCHJYFZSA-N 1 2 506.582 4.681 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495081 553461369 /nfs/dbraw/zinc/46/13/69/553461369.db2.gz IGOVKSYUDMDRIL-JOCHJYFZSA-N 1 2 506.582 4.681 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495083 553461290 /nfs/dbraw/zinc/46/12/90/553461290.db2.gz IGOVKSYUDMDRIL-QFIPXVFZSA-N 1 2 506.582 4.681 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495083 553461289 /nfs/dbraw/zinc/46/12/89/553461289.db2.gz IGOVKSYUDMDRIL-QFIPXVFZSA-N 1 2 506.582 4.681 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495180 553461687 /nfs/dbraw/zinc/46/16/87/553461687.db2.gz AQHFERYIAFMFMT-AREMUKBSSA-N 1 2 512.614 4.935 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495180 553461686 /nfs/dbraw/zinc/46/16/86/553461686.db2.gz AQHFERYIAFMFMT-AREMUKBSSA-N 1 2 512.614 4.935 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495182 553461579 /nfs/dbraw/zinc/46/15/79/553461579.db2.gz AQHFERYIAFMFMT-SANMLTNESA-N 1 2 512.614 4.935 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495182 553461578 /nfs/dbraw/zinc/46/15/78/553461578.db2.gz AQHFERYIAFMFMT-SANMLTNESA-N 1 2 512.614 4.935 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495203 553461976 /nfs/dbraw/zinc/46/19/76/553461976.db2.gz IHCLVJJDKYOZPI-MHZLTWQESA-N 1 2 528.613 4.717 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495203 553461975 /nfs/dbraw/zinc/46/19/75/553461975.db2.gz IHCLVJJDKYOZPI-MHZLTWQESA-N 1 2 528.613 4.717 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495205 553461950 /nfs/dbraw/zinc/46/19/50/553461950.db2.gz IHCLVJJDKYOZPI-HHHXNRCGSA-N 1 2 528.613 4.717 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495205 553461948 /nfs/dbraw/zinc/46/19/48/553461948.db2.gz IHCLVJJDKYOZPI-HHHXNRCGSA-N 1 2 528.613 4.717 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495207 553461970 /nfs/dbraw/zinc/46/19/70/553461970.db2.gz GFZOZWMCRTUITJ-HSZRJFAPSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495207 553461969 /nfs/dbraw/zinc/46/19/69/553461969.db2.gz GFZOZWMCRTUITJ-HSZRJFAPSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495209 553461973 /nfs/dbraw/zinc/46/19/73/553461973.db2.gz GFZOZWMCRTUITJ-QHCPKHFHSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495209 553461972 /nfs/dbraw/zinc/46/19/72/553461972.db2.gz GFZOZWMCRTUITJ-QHCPKHFHSA-N 1 2 518.618 4.551 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495211 553461895 /nfs/dbraw/zinc/46/18/95/553461895.db2.gz VHFGIUBTZMHLSR-XMMPIXPASA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495211 553461892 /nfs/dbraw/zinc/46/18/92/553461892.db2.gz VHFGIUBTZMHLSR-XMMPIXPASA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495213 553461997 /nfs/dbraw/zinc/46/19/97/553461997.db2.gz VHFGIUBTZMHLSR-DEOSSOPVSA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495213 553461996 /nfs/dbraw/zinc/46/19/96/553461996.db2.gz VHFGIUBTZMHLSR-DEOSSOPVSA-N 1 2 516.602 4.521 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495215 553462009 /nfs/dbraw/zinc/46/20/09/553462009.db2.gz CHNCXHUOLQMLSB-RUZDIDTESA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495215 553462008 /nfs/dbraw/zinc/46/20/08/553462008.db2.gz CHNCXHUOLQMLSB-RUZDIDTESA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495217 553461961 /nfs/dbraw/zinc/46/19/61/553461961.db2.gz CHNCXHUOLQMLSB-VWLOTQADSA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495217 553461960 /nfs/dbraw/zinc/46/19/60/553461960.db2.gz CHNCXHUOLQMLSB-VWLOTQADSA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495223 553461964 /nfs/dbraw/zinc/46/19/64/553461964.db2.gz RWBKQMLFZPGFJN-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495223 553461963 /nfs/dbraw/zinc/46/19/63/553461963.db2.gz RWBKQMLFZPGFJN-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495225 553461944 /nfs/dbraw/zinc/46/19/44/553461944.db2.gz RWBKQMLFZPGFJN-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495225 553461942 /nfs/dbraw/zinc/46/19/42/553461942.db2.gz RWBKQMLFZPGFJN-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495226 553462003 /nfs/dbraw/zinc/46/20/03/553462003.db2.gz CCQICPYIUZXEQL-XMMPIXPASA-N 1 2 500.603 4.820 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495226 553462002 /nfs/dbraw/zinc/46/20/02/553462002.db2.gz CCQICPYIUZXEQL-XMMPIXPASA-N 1 2 500.603 4.820 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495228 553461921 /nfs/dbraw/zinc/46/19/21/553461921.db2.gz CCQICPYIUZXEQL-DEOSSOPVSA-N 1 2 500.603 4.820 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495228 553461920 /nfs/dbraw/zinc/46/19/20/553461920.db2.gz CCQICPYIUZXEQL-DEOSSOPVSA-N 1 2 500.603 4.820 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495234 553461904 /nfs/dbraw/zinc/46/19/04/553461904.db2.gz AFAITWUGRAULDF-AREMUKBSSA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495234 553461901 /nfs/dbraw/zinc/46/19/01/553461901.db2.gz AFAITWUGRAULDF-AREMUKBSSA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495236 553461957 /nfs/dbraw/zinc/46/19/57/553461957.db2.gz AFAITWUGRAULDF-SANMLTNESA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495236 553461955 /nfs/dbraw/zinc/46/19/55/553461955.db2.gz AFAITWUGRAULDF-SANMLTNESA-N 1 2 522.609 4.754 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495259 553462146 /nfs/dbraw/zinc/46/21/46/553462146.db2.gz BSCCJDIWJMHSNK-XMMPIXPASA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495259 553462143 /nfs/dbraw/zinc/46/21/43/553462143.db2.gz BSCCJDIWJMHSNK-XMMPIXPASA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495261 553462122 /nfs/dbraw/zinc/46/21/22/553462122.db2.gz BSCCJDIWJMHSNK-DEOSSOPVSA-N 1 2 526.597 4.655 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495261 553462119 /nfs/dbraw/zinc/46/21/19/553462119.db2.gz BSCCJDIWJMHSNK-DEOSSOPVSA-N 1 2 526.597 4.655 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495263 553462174 /nfs/dbraw/zinc/46/21/74/553462174.db2.gz AQSNCMNTZGSBQG-DEOSSOPVSA-N 1 2 532.645 4.941 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495263 553462172 /nfs/dbraw/zinc/46/21/72/553462172.db2.gz AQSNCMNTZGSBQG-DEOSSOPVSA-N 1 2 532.645 4.941 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495265 553462205 /nfs/dbraw/zinc/46/22/05/553462205.db2.gz AQSNCMNTZGSBQG-XMMPIXPASA-N 1 2 532.645 4.941 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013495265 553462202 /nfs/dbraw/zinc/46/22/02/553462202.db2.gz AQSNCMNTZGSBQG-XMMPIXPASA-N 1 2 532.645 4.941 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495267 553462108 /nfs/dbraw/zinc/46/21/08/553462108.db2.gz QPZPHJNEQDZWSE-VWLOTQADSA-N 1 2 530.629 4.911 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495267 553462105 /nfs/dbraw/zinc/46/21/05/553462105.db2.gz QPZPHJNEQDZWSE-VWLOTQADSA-N 1 2 530.629 4.911 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495269 553462197 /nfs/dbraw/zinc/46/21/97/553462197.db2.gz QPZPHJNEQDZWSE-RUZDIDTESA-N 1 2 530.629 4.911 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495269 553462195 /nfs/dbraw/zinc/46/21/95/553462195.db2.gz QPZPHJNEQDZWSE-RUZDIDTESA-N 1 2 530.629 4.911 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495788 553462539 /nfs/dbraw/zinc/46/25/39/553462539.db2.gz XHRUWQXLFYEANF-DEOSSOPVSA-N 1 2 504.616 4.770 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495788 553462537 /nfs/dbraw/zinc/46/25/37/553462537.db2.gz XHRUWQXLFYEANF-DEOSSOPVSA-N 1 2 504.616 4.770 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495789 553462850 /nfs/dbraw/zinc/46/28/50/553462850.db2.gz XHRUWQXLFYEANF-XMMPIXPASA-N 1 2 504.616 4.770 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495789 553462849 /nfs/dbraw/zinc/46/28/49/553462849.db2.gz XHRUWQXLFYEANF-XMMPIXPASA-N 1 2 504.616 4.770 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498480 553464728 /nfs/dbraw/zinc/46/47/28/553464728.db2.gz DINHMJZPGIBFOJ-XCZPVHLTSA-N 1 2 514.674 4.698 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498480 553464724 /nfs/dbraw/zinc/46/47/24/553464724.db2.gz DINHMJZPGIBFOJ-XCZPVHLTSA-N 1 2 514.674 4.698 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498481 553464692 /nfs/dbraw/zinc/46/46/92/553464692.db2.gz DINHMJZPGIBFOJ-IAPPQJPRSA-N 1 2 514.674 4.698 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498481 553464689 /nfs/dbraw/zinc/46/46/89/553464689.db2.gz DINHMJZPGIBFOJ-IAPPQJPRSA-N 1 2 514.674 4.698 40 0 KJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498676 553464836 /nfs/dbraw/zinc/46/48/36/553464836.db2.gz ONRFEOMKXDZNID-SANMLTNESA-N 1 2 516.577 4.703 40 0 KJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498676 553464834 /nfs/dbraw/zinc/46/48/34/553464834.db2.gz ONRFEOMKXDZNID-SANMLTNESA-N 1 2 516.577 4.703 40 0 KJABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498677 553464847 /nfs/dbraw/zinc/46/48/47/553464847.db2.gz ONRFEOMKXDZNID-AREMUKBSSA-N 1 2 516.577 4.703 40 0 KJABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498677 553464845 /nfs/dbraw/zinc/46/48/45/553464845.db2.gz ONRFEOMKXDZNID-AREMUKBSSA-N 1 2 516.577 4.703 40 0 KJABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498742 553464806 /nfs/dbraw/zinc/46/48/06/553464806.db2.gz ZNSMUIMNMJUXJV-NDEPHWFRSA-N 1 2 508.626 4.971 40 0 KJABLO COc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498742 553464803 /nfs/dbraw/zinc/46/48/03/553464803.db2.gz ZNSMUIMNMJUXJV-NDEPHWFRSA-N 1 2 508.626 4.971 40 0 KJABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498743 553464830 /nfs/dbraw/zinc/46/48/30/553464830.db2.gz ZNSMUIMNMJUXJV-MUUNZHRXSA-N 1 2 508.626 4.971 40 0 KJABLO COc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498743 553464827 /nfs/dbraw/zinc/46/48/27/553464827.db2.gz ZNSMUIMNMJUXJV-MUUNZHRXSA-N 1 2 508.626 4.971 40 0 KJABLO COc1ccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498760 553464797 /nfs/dbraw/zinc/46/47/97/553464797.db2.gz SGBCLXDPZGVQCI-SANMLTNESA-N 1 2 516.577 4.703 40 0 KJABLO COc1ccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498760 553464795 /nfs/dbraw/zinc/46/47/95/553464795.db2.gz SGBCLXDPZGVQCI-SANMLTNESA-N 1 2 516.577 4.703 40 0 KJABLO COc1ccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498761 553464864 /nfs/dbraw/zinc/46/48/64/553464864.db2.gz SGBCLXDPZGVQCI-AREMUKBSSA-N 1 2 516.577 4.703 40 0 KJABLO COc1ccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013498761 553464863 /nfs/dbraw/zinc/46/48/63/553464863.db2.gz SGBCLXDPZGVQCI-AREMUKBSSA-N 1 2 516.577 4.703 40 0 KJABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013498778 553464679 /nfs/dbraw/zinc/46/46/79/553464679.db2.gz XLVKVLNWTJRLPK-RUZDIDTESA-N 1 2 520.609 4.579 40 0 KJABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013498778 553464677 /nfs/dbraw/zinc/46/46/77/553464677.db2.gz XLVKVLNWTJRLPK-RUZDIDTESA-N 1 2 520.609 4.579 40 0 KJABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013498779 553464672 /nfs/dbraw/zinc/46/46/72/553464672.db2.gz XLVKVLNWTJRLPK-VWLOTQADSA-N 1 2 520.609 4.579 40 0 KJABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013498779 553464669 /nfs/dbraw/zinc/46/46/69/553464669.db2.gz XLVKVLNWTJRLPK-VWLOTQADSA-N 1 2 520.609 4.579 40 0 KJABLO COc1cc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1OC ZINC000013498824 553464936 /nfs/dbraw/zinc/46/49/36/553464936.db2.gz YVNFIJMTGRYWDM-QHCPKHFHSA-N 1 2 510.664 4.748 40 0 KJABLO COc1cc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1OC ZINC000013498824 553464935 /nfs/dbraw/zinc/46/49/35/553464935.db2.gz YVNFIJMTGRYWDM-QHCPKHFHSA-N 1 2 510.664 4.748 40 0 KJABLO COc1cc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1OC ZINC000013498825 553464967 /nfs/dbraw/zinc/46/49/67/553464967.db2.gz YVNFIJMTGRYWDM-HSZRJFAPSA-N 1 2 510.664 4.748 40 0 KJABLO COc1cc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1OC ZINC000013498825 553464965 /nfs/dbraw/zinc/46/49/65/553464965.db2.gz YVNFIJMTGRYWDM-HSZRJFAPSA-N 1 2 510.664 4.748 40 0 KJABLO COc1ccccc1C[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013498826 553465053 /nfs/dbraw/zinc/46/50/53/553465053.db2.gz ZAQSCIVIFWQXDC-SANMLTNESA-N 1 2 534.661 4.695 40 0 KJABLO COc1ccccc1C[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013498826 553465050 /nfs/dbraw/zinc/46/50/50/553465050.db2.gz ZAQSCIVIFWQXDC-SANMLTNESA-N 1 2 534.661 4.695 40 0 KJABLO COc1ccccc1C[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013498827 553465037 /nfs/dbraw/zinc/46/50/37/553465037.db2.gz ZAQSCIVIFWQXDC-AREMUKBSSA-N 1 2 534.661 4.695 40 0 KJABLO COc1ccccc1C[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)[C@@H](c1nnnn1C(C)(C)C)C(C)C ZINC000013498827 553465035 /nfs/dbraw/zinc/46/50/35/553465035.db2.gz ZAQSCIVIFWQXDC-AREMUKBSSA-N 1 2 534.661 4.695 40 0 KJABLO COc1cc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1OC ZINC000013498830 553465013 /nfs/dbraw/zinc/46/50/13/553465013.db2.gz QXNQKRWSXJEXIE-MHZLTWQESA-N 1 2 528.613 4.573 40 0 KJABLO COc1cc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1OC ZINC000013498830 553465011 /nfs/dbraw/zinc/46/50/11/553465011.db2.gz QXNQKRWSXJEXIE-MHZLTWQESA-N 1 2 528.613 4.573 40 0 KJABLO COc1cc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1OC ZINC000013498831 553464990 /nfs/dbraw/zinc/46/49/90/553464990.db2.gz QXNQKRWSXJEXIE-HHHXNRCGSA-N 1 2 528.613 4.573 40 0 KJABLO COc1cc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2cc1OC ZINC000013498831 553464988 /nfs/dbraw/zinc/46/49/88/553464988.db2.gz QXNQKRWSXJEXIE-HHHXNRCGSA-N 1 2 528.613 4.573 40 0 KJABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498898 553464917 /nfs/dbraw/zinc/46/49/17/553464917.db2.gz QANBNVHNDPMCTR-AHKZPQOWSA-N 1 2 500.647 4.710 40 0 KJABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498898 553464916 /nfs/dbraw/zinc/46/49/16/553464916.db2.gz QANBNVHNDPMCTR-AHKZPQOWSA-N 1 2 500.647 4.710 40 0 KJABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498899 553464925 /nfs/dbraw/zinc/46/49/25/553464925.db2.gz QANBNVHNDPMCTR-BDYUSTAISA-N 1 2 500.647 4.710 40 0 KJABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498899 553464924 /nfs/dbraw/zinc/46/49/24/553464924.db2.gz QANBNVHNDPMCTR-BDYUSTAISA-N 1 2 500.647 4.710 40 0 KJABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013499046 553464995 /nfs/dbraw/zinc/46/49/95/553464995.db2.gz UKTVVEPWLROSCO-RPLLCQBOSA-N 1 2 518.637 4.849 40 0 KJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013499046 553464993 /nfs/dbraw/zinc/46/49/93/553464993.db2.gz UKTVVEPWLROSCO-RPLLCQBOSA-N 1 2 518.637 4.849 40 0 KJABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013499047 553464931 /nfs/dbraw/zinc/46/49/31/553464931.db2.gz UKTVVEPWLROSCO-IGKIAQTJSA-N 1 2 518.637 4.849 40 0 KJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013499047 553464929 /nfs/dbraw/zinc/46/49/29/553464929.db2.gz UKTVVEPWLROSCO-IGKIAQTJSA-N 1 2 518.637 4.849 40 0 KJABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499052 553465007 /nfs/dbraw/zinc/46/50/07/553465007.db2.gz UGRXPZWMBUOEKA-MUUNZHRXSA-N 1 2 507.642 4.974 40 0 KJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499052 553465006 /nfs/dbraw/zinc/46/50/06/553465006.db2.gz UGRXPZWMBUOEKA-MUUNZHRXSA-N 1 2 507.642 4.974 40 0 KJABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499053 553465022 /nfs/dbraw/zinc/46/50/22/553465022.db2.gz UGRXPZWMBUOEKA-NDEPHWFRSA-N 1 2 507.642 4.974 40 0 KJABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499053 553465019 /nfs/dbraw/zinc/46/50/19/553465019.db2.gz UGRXPZWMBUOEKA-NDEPHWFRSA-N 1 2 507.642 4.974 40 0 KJABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1C ZINC000013499152 553465343 /nfs/dbraw/zinc/46/53/43/553465343.db2.gz COJZACONECMOFN-AHKZPQOWSA-N 1 2 518.637 4.697 40 0 KJABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1C ZINC000013499152 553465342 /nfs/dbraw/zinc/46/53/42/553465342.db2.gz COJZACONECMOFN-AHKZPQOWSA-N 1 2 518.637 4.697 40 0 KJABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1C ZINC000013499153 553465330 /nfs/dbraw/zinc/46/53/30/553465330.db2.gz COJZACONECMOFN-BDYUSTAISA-N 1 2 518.637 4.697 40 0 KJABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1C ZINC000013499153 553465329 /nfs/dbraw/zinc/46/53/29/553465329.db2.gz COJZACONECMOFN-BDYUSTAISA-N 1 2 518.637 4.697 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499253 553465340 /nfs/dbraw/zinc/46/53/40/553465340.db2.gz MTIJPHKRDJAOIX-XTEPFMGCSA-N 1 2 530.673 4.808 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499253 553465339 /nfs/dbraw/zinc/46/53/39/553465339.db2.gz MTIJPHKRDJAOIX-XTEPFMGCSA-N 1 2 530.673 4.808 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499254 553465258 /nfs/dbraw/zinc/46/52/58/553465258.db2.gz MTIJPHKRDJAOIX-XCZPVHLTSA-N 1 2 530.673 4.808 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499254 553465254 /nfs/dbraw/zinc/46/52/54/553465254.db2.gz MTIJPHKRDJAOIX-XCZPVHLTSA-N 1 2 530.673 4.808 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499301 553465352 /nfs/dbraw/zinc/46/53/52/553465352.db2.gz CHEDUFQRLCUMNA-AZGAKELHSA-N 1 2 504.610 4.685 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499301 553465351 /nfs/dbraw/zinc/46/53/51/553465351.db2.gz CHEDUFQRLCUMNA-AZGAKELHSA-N 1 2 504.610 4.685 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499302 553465346 /nfs/dbraw/zinc/46/53/46/553465346.db2.gz CHEDUFQRLCUMNA-AHWVRZQESA-N 1 2 504.610 4.685 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499302 553465345 /nfs/dbraw/zinc/46/53/45/553465345.db2.gz CHEDUFQRLCUMNA-AHWVRZQESA-N 1 2 504.610 4.685 40 0 KJABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499355 553465364 /nfs/dbraw/zinc/46/53/64/553465364.db2.gz YTBVUMMCHXIPIO-AREMUKBSSA-N 1 2 516.577 4.847 40 0 KJABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499355 553465363 /nfs/dbraw/zinc/46/53/63/553465363.db2.gz YTBVUMMCHXIPIO-AREMUKBSSA-N 1 2 516.577 4.847 40 0 KJABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499356 553465286 /nfs/dbraw/zinc/46/52/86/553465286.db2.gz YTBVUMMCHXIPIO-SANMLTNESA-N 1 2 516.577 4.847 40 0 KJABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499356 553465284 /nfs/dbraw/zinc/46/52/84/553465284.db2.gz YTBVUMMCHXIPIO-SANMLTNESA-N 1 2 516.577 4.847 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499367 553465321 /nfs/dbraw/zinc/46/53/21/553465321.db2.gz UZDUCEIUGLBESB-XMMPIXPASA-N 1 2 532.645 4.941 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499367 553465320 /nfs/dbraw/zinc/46/53/20/553465320.db2.gz UZDUCEIUGLBESB-XMMPIXPASA-N 1 2 532.645 4.941 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499368 553465361 /nfs/dbraw/zinc/46/53/61/553465361.db2.gz UZDUCEIUGLBESB-DEOSSOPVSA-N 1 2 532.645 4.941 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499368 553465360 /nfs/dbraw/zinc/46/53/60/553465360.db2.gz UZDUCEIUGLBESB-DEOSSOPVSA-N 1 2 532.645 4.941 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499383 553465576 /nfs/dbraw/zinc/46/55/76/553465576.db2.gz ISDAOSNIPIAPJJ-HSZRJFAPSA-N 1 2 520.609 4.724 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499383 553465573 /nfs/dbraw/zinc/46/55/73/553465573.db2.gz ISDAOSNIPIAPJJ-HSZRJFAPSA-N 1 2 520.609 4.724 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499384 553465549 /nfs/dbraw/zinc/46/55/49/553465549.db2.gz ISDAOSNIPIAPJJ-QHCPKHFHSA-N 1 2 520.609 4.724 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499384 553465547 /nfs/dbraw/zinc/46/55/47/553465547.db2.gz ISDAOSNIPIAPJJ-QHCPKHFHSA-N 1 2 520.609 4.724 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499387 553465461 /nfs/dbraw/zinc/46/54/61/553465461.db2.gz KVAZGFQHNZNMGO-XMMPIXPASA-N 1 2 516.646 4.975 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499387 553465459 /nfs/dbraw/zinc/46/54/59/553465459.db2.gz KVAZGFQHNZNMGO-XMMPIXPASA-N 1 2 516.646 4.975 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499388 553465606 /nfs/dbraw/zinc/46/56/06/553465606.db2.gz KVAZGFQHNZNMGO-DEOSSOPVSA-N 1 2 516.646 4.975 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499388 553465603 /nfs/dbraw/zinc/46/56/03/553465603.db2.gz KVAZGFQHNZNMGO-DEOSSOPVSA-N 1 2 516.646 4.975 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499641 553465764 /nfs/dbraw/zinc/46/57/64/553465764.db2.gz BJOSLKZTPRAMLK-IZZNHLLZSA-N 1 2 500.647 4.854 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499641 553465763 /nfs/dbraw/zinc/46/57/63/553465763.db2.gz BJOSLKZTPRAMLK-IZZNHLLZSA-N 1 2 500.647 4.854 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499642 553465768 /nfs/dbraw/zinc/46/57/68/553465768.db2.gz BJOSLKZTPRAMLK-UIOOFZCWSA-N 1 2 500.647 4.854 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499642 553465767 /nfs/dbraw/zinc/46/57/67/553465767.db2.gz BJOSLKZTPRAMLK-UIOOFZCWSA-N 1 2 500.647 4.854 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499643 553465725 /nfs/dbraw/zinc/46/57/25/553465725.db2.gz BQSHPHHXTYJSJC-LADGPHEKSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499643 553465724 /nfs/dbraw/zinc/46/57/24/553465724.db2.gz BQSHPHHXTYJSJC-LADGPHEKSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499644 553465717 /nfs/dbraw/zinc/46/57/17/553465717.db2.gz BQSHPHHXTYJSJC-UPVQGACJSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499644 553465716 /nfs/dbraw/zinc/46/57/16/553465716.db2.gz BQSHPHHXTYJSJC-UPVQGACJSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499667 553465788 /nfs/dbraw/zinc/46/57/88/553465788.db2.gz BGCADYZZJCUZRK-XUZZJYLKSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499667 553465786 /nfs/dbraw/zinc/46/57/86/553465786.db2.gz BGCADYZZJCUZRK-XUZZJYLKSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499668 553465738 /nfs/dbraw/zinc/46/57/38/553465738.db2.gz BGCADYZZJCUZRK-URXFXBBRSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499668 553465737 /nfs/dbraw/zinc/46/57/37/553465737.db2.gz BGCADYZZJCUZRK-URXFXBBRSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500706 553466123 /nfs/dbraw/zinc/46/61/23/553466123.db2.gz FIWUAICFGNBJSA-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500706 553466121 /nfs/dbraw/zinc/46/61/21/553466121.db2.gz FIWUAICFGNBJSA-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500707 553466080 /nfs/dbraw/zinc/46/60/80/553466080.db2.gz FIWUAICFGNBJSA-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500707 553466078 /nfs/dbraw/zinc/46/60/78/553466078.db2.gz FIWUAICFGNBJSA-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500726 553466261 /nfs/dbraw/zinc/46/62/61/553466261.db2.gz OLMCQUFDKRSOEX-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500726 553466259 /nfs/dbraw/zinc/46/62/59/553466259.db2.gz OLMCQUFDKRSOEX-HSZRJFAPSA-N 1 2 502.619 4.850 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500727 553466175 /nfs/dbraw/zinc/46/61/75/553466175.db2.gz OLMCQUFDKRSOEX-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500727 553466174 /nfs/dbraw/zinc/46/61/74/553466174.db2.gz OLMCQUFDKRSOEX-QHCPKHFHSA-N 1 2 502.619 4.850 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500802 553466312 /nfs/dbraw/zinc/46/63/12/553466312.db2.gz RLSXJGKTJUJHTB-AHKZPQOWSA-N 1 2 516.646 4.636 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500802 553466309 /nfs/dbraw/zinc/46/63/09/553466309.db2.gz RLSXJGKTJUJHTB-AHKZPQOWSA-N 1 2 516.646 4.636 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500803 553466244 /nfs/dbraw/zinc/46/62/44/553466244.db2.gz RLSXJGKTJUJHTB-BDYUSTAISA-N 1 2 516.646 4.636 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500803 553466241 /nfs/dbraw/zinc/46/62/41/553466241.db2.gz RLSXJGKTJUJHTB-BDYUSTAISA-N 1 2 516.646 4.636 40 0 KJABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500872 553466537 /nfs/dbraw/zinc/46/65/37/553466537.db2.gz VIQAPDIHYVQBSY-IZZNHLLZSA-N 1 2 500.647 4.588 40 0 KJABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500872 553466536 /nfs/dbraw/zinc/46/65/36/553466536.db2.gz VIQAPDIHYVQBSY-IZZNHLLZSA-N 1 2 500.647 4.588 40 0 KJABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500873 553466542 /nfs/dbraw/zinc/46/65/42/553466542.db2.gz VIQAPDIHYVQBSY-UIOOFZCWSA-N 1 2 500.647 4.588 40 0 KJABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500873 553466541 /nfs/dbraw/zinc/46/65/41/553466541.db2.gz VIQAPDIHYVQBSY-UIOOFZCWSA-N 1 2 500.647 4.588 40 0 KJABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1ccco1)C1(c2nnnn2C2CCCC2)CCCCC1)OCO3 ZINC000013501247 553466519 /nfs/dbraw/zinc/46/65/19/553466519.db2.gz MFMOOHLRYSEXOQ-UHFFFAOYSA-N 1 2 516.602 4.813 40 0 KJABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1ccco1)C1(c2nnnn2C2CCCC2)CCCCC1)OCO3 ZINC000013501247 553466517 /nfs/dbraw/zinc/46/65/17/553466517.db2.gz MFMOOHLRYSEXOQ-UHFFFAOYSA-N 1 2 516.602 4.813 40 0 KJABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3CCc3ccccc3)c3ccc4ncccc4c3)CC2)c1C ZINC000013511851 553467496 /nfs/dbraw/zinc/46/74/96/553467496.db2.gz AZWFGRRZNNXPIE-PMERELPUSA-N 1 2 503.654 4.992 40 0 KJABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3CCc3ccccc3)c3ccc4ncccc4c3)CC2)c1C ZINC000013511854 553467567 /nfs/dbraw/zinc/46/75/67/553467567.db2.gz AZWFGRRZNNXPIE-SSEXGKCCSA-N 1 2 503.654 4.992 40 0 KJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)COc4ccccc4C)cc3n2)cc1 ZINC000014275834 553508959 /nfs/dbraw/zinc/50/89/59/553508959.db2.gz BEKLREPHOQWLFZ-UHFFFAOYSA-N 1 2 502.644 4.776 40 0 KJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)COc4ccccc4)cc3n2)c(C)c1 ZINC000014275852 553508936 /nfs/dbraw/zinc/50/89/36/553508936.db2.gz NYRUDXPXPSGMKX-UHFFFAOYSA-N 1 2 502.644 4.776 40 0 KJABLO O=C1c2cc(Br)cc(Br)c2OC[C@@]1(C[NH+]1CCOCC1)Sc1ccccc1 ZINC000015229098 553529702 /nfs/dbraw/zinc/52/97/02/553529702.db2.gz RTZKFNDKDBPCCC-HXUWFJFHSA-N 1 2 513.251 4.650 40 0 KJABLO O=C1c2cc(Br)cc(Br)c2OC[C@]1(C[NH+]1CCOCC1)Sc1ccccc1 ZINC000015229100 553529715 /nfs/dbraw/zinc/52/97/15/553529715.db2.gz RTZKFNDKDBPCCC-FQEVSTJZSA-N 1 2 513.251 4.650 40 0 KJABLO C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CC[N@H+]([C@H]13)[C@H]6[C@@H]1OC1(C)C ZINC000017545522 553597713 /nfs/dbraw/zinc/59/77/13/553597713.db2.gz XZFSMUXVAYCHFO-WARZXKATSA-N 1 2 508.666 4.692 40 0 biogenic,in-vitro KJABLO C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CC[N@@H+]([C@H]13)[C@H]6[C@@H]1OC1(C)C ZINC000017545522 553597711 /nfs/dbraw/zinc/59/77/11/553597711.db2.gz XZFSMUXVAYCHFO-WARZXKATSA-N 1 2 508.666 4.692 40 0 biogenic,in-vitro KJABLO FC(F)(F)c1ccc2c(c1)N(CCC[NH+]1CCN(CCN3CCOCC3)CC1)c1ccccc1S2 ZINC000019366289 553614199 /nfs/dbraw/zinc/61/41/99/553614199.db2.gz KXYSYSJXECFHRI-UHFFFAOYSA-N 1 2 506.638 4.648 40 0 KJABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c2)cc1 ZINC000019934110 553635977 /nfs/dbraw/zinc/63/59/77/553635977.db2.gz OAVOCADYGMAZGW-VMPITWQZSA-N 1 2 510.059 4.920 40 0 KJABLO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000019934248 553636104 /nfs/dbraw/zinc/63/61/04/553636104.db2.gz MQDQOFXIKGXENG-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000019934391 553636021 /nfs/dbraw/zinc/63/60/21/553636021.db2.gz YHRUTYSRICOKJQ-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019941377 553644049 /nfs/dbraw/zinc/64/40/49/553644049.db2.gz IRQYBEKTALLQJO-MUUNZHRXSA-N 1 2 508.626 4.745 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019941377 553644047 /nfs/dbraw/zinc/64/40/47/553644047.db2.gz IRQYBEKTALLQJO-MUUNZHRXSA-N 1 2 508.626 4.745 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019941378 553644019 /nfs/dbraw/zinc/64/40/19/553644019.db2.gz IRQYBEKTALLQJO-NDEPHWFRSA-N 1 2 508.626 4.745 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019941378 553644016 /nfs/dbraw/zinc/64/40/16/553644016.db2.gz IRQYBEKTALLQJO-NDEPHWFRSA-N 1 2 508.626 4.745 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000019973240 553651780 /nfs/dbraw/zinc/65/17/80/553651780.db2.gz QGEPBTUADDOLMI-MHZLTWQESA-N 1 2 528.682 4.674 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000019973240 553651779 /nfs/dbraw/zinc/65/17/79/553651779.db2.gz QGEPBTUADDOLMI-MHZLTWQESA-N 1 2 528.682 4.674 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000019973241 553651751 /nfs/dbraw/zinc/65/17/51/553651751.db2.gz QGEPBTUADDOLMI-HHHXNRCGSA-N 1 2 528.682 4.674 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000019973241 553651748 /nfs/dbraw/zinc/65/17/48/553651748.db2.gz QGEPBTUADDOLMI-HHHXNRCGSA-N 1 2 528.682 4.674 40 0 KJABLO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020039659 553668549 /nfs/dbraw/zinc/66/85/49/553668549.db2.gz NCNSLOIDIXQQFP-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2cccc(Cl)c2C)cc1 ZINC000020044320 553669509 /nfs/dbraw/zinc/66/95/09/553669509.db2.gz MVKCGJPARKOKBA-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020046071 553669853 /nfs/dbraw/zinc/66/98/53/553669853.db2.gz RAYAAPMCTWXJFU-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020048731 553670444 /nfs/dbraw/zinc/67/04/44/553670444.db2.gz XPAATAVHZSJVJH-UHFFFAOYSA-N 1 2 500.020 4.534 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080427 553678539 /nfs/dbraw/zinc/67/85/39/553678539.db2.gz QERSGJSOLKRHMI-MUUNZHRXSA-N 1 2 524.625 4.582 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080427 553678537 /nfs/dbraw/zinc/67/85/37/553678537.db2.gz QERSGJSOLKRHMI-MUUNZHRXSA-N 1 2 524.625 4.582 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080430 553678594 /nfs/dbraw/zinc/67/85/94/553678594.db2.gz QERSGJSOLKRHMI-NDEPHWFRSA-N 1 2 524.625 4.582 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080430 553678592 /nfs/dbraw/zinc/67/85/92/553678592.db2.gz QERSGJSOLKRHMI-NDEPHWFRSA-N 1 2 524.625 4.582 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080433 553678576 /nfs/dbraw/zinc/67/85/76/553678576.db2.gz IJVMQEHYQBAWFY-HHHXNRCGSA-N 1 2 512.589 4.712 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080433 553678573 /nfs/dbraw/zinc/67/85/73/553678573.db2.gz IJVMQEHYQBAWFY-HHHXNRCGSA-N 1 2 512.589 4.712 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080437 553678623 /nfs/dbraw/zinc/67/86/23/553678623.db2.gz IJVMQEHYQBAWFY-MHZLTWQESA-N 1 2 512.589 4.712 40 0 KJABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080437 553678622 /nfs/dbraw/zinc/67/86/22/553678622.db2.gz IJVMQEHYQBAWFY-MHZLTWQESA-N 1 2 512.589 4.712 40 0 KJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080602 553679122 /nfs/dbraw/zinc/67/91/22/553679122.db2.gz OTULQNBAAILLAA-AREMUKBSSA-N 1 2 502.619 4.649 40 0 KJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080602 553679120 /nfs/dbraw/zinc/67/91/20/553679120.db2.gz OTULQNBAAILLAA-AREMUKBSSA-N 1 2 502.619 4.649 40 0 KJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080605 553679177 /nfs/dbraw/zinc/67/91/77/553679177.db2.gz OTULQNBAAILLAA-SANMLTNESA-N 1 2 502.619 4.649 40 0 KJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080605 553679175 /nfs/dbraw/zinc/67/91/75/553679175.db2.gz OTULQNBAAILLAA-SANMLTNESA-N 1 2 502.619 4.649 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082337 553681578 /nfs/dbraw/zinc/68/15/78/553681578.db2.gz AXOVTFOXGAMIKL-GDLZYMKVSA-N 1 2 522.653 4.558 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082337 553681576 /nfs/dbraw/zinc/68/15/76/553681576.db2.gz AXOVTFOXGAMIKL-GDLZYMKVSA-N 1 2 522.653 4.558 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)[N@@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082340 553681571 /nfs/dbraw/zinc/68/15/71/553681571.db2.gz AXOVTFOXGAMIKL-LJAQVGFWSA-N 1 2 522.653 4.558 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)[N@H+](CCc3ccccc3)Cc3ccccc3)cc2c1 ZINC000020082340 553681570 /nfs/dbraw/zinc/68/15/70/553681570.db2.gz AXOVTFOXGAMIKL-LJAQVGFWSA-N 1 2 522.653 4.558 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000020082520 553681940 /nfs/dbraw/zinc/68/19/40/553681940.db2.gz RAKXRMNRHHHBGB-HHHXNRCGSA-N 1 2 532.092 4.753 40 0 KJABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000020082523 553681910 /nfs/dbraw/zinc/68/19/10/553681910.db2.gz RAKXRMNRHHHBGB-MHZLTWQESA-N 1 2 532.092 4.753 40 0 KJABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020083200 553683682 /nfs/dbraw/zinc/68/36/82/553683682.db2.gz XOFULKUNRMBENM-SANMLTNESA-N 1 2 534.108 4.837 40 0 KJABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020083204 553683704 /nfs/dbraw/zinc/68/37/04/553683704.db2.gz XOFULKUNRMBENM-AREMUKBSSA-N 1 2 534.108 4.837 40 0 KJABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000020083215 553683688 /nfs/dbraw/zinc/68/36/88/553683688.db2.gz UYYFOIRUXSVGTC-HHHXNRCGSA-N 1 2 532.092 4.807 40 0 KJABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000020083219 553683727 /nfs/dbraw/zinc/68/37/27/553683727.db2.gz UYYFOIRUXSVGTC-MHZLTWQESA-N 1 2 532.092 4.807 40 0 KJABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020083223 553683743 /nfs/dbraw/zinc/68/37/43/553683743.db2.gz PZPRXHQENBTDIO-SANMLTNESA-N 1 2 534.108 4.837 40 0 KJABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020083226 553683738 /nfs/dbraw/zinc/68/37/38/553683738.db2.gz PZPRXHQENBTDIO-AREMUKBSSA-N 1 2 534.108 4.837 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020083259 553683692 /nfs/dbraw/zinc/68/36/92/553683692.db2.gz QIZQLTYTLKELHY-LJAQVGFWSA-N 1 2 522.653 4.612 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020083259 553683691 /nfs/dbraw/zinc/68/36/91/553683691.db2.gz QIZQLTYTLKELHY-LJAQVGFWSA-N 1 2 522.653 4.612 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020083262 553683750 /nfs/dbraw/zinc/68/37/50/553683750.db2.gz QIZQLTYTLKELHY-GDLZYMKVSA-N 1 2 522.653 4.612 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020083262 553683748 /nfs/dbraw/zinc/68/37/48/553683748.db2.gz QIZQLTYTLKELHY-GDLZYMKVSA-N 1 2 522.653 4.612 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020083615 553684517 /nfs/dbraw/zinc/68/45/17/553684517.db2.gz PEAYRXDQTQSAJL-LJAQVGFWSA-N 1 2 522.653 4.612 40 0 KJABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020083615 553684515 /nfs/dbraw/zinc/68/45/15/553684515.db2.gz PEAYRXDQTQSAJL-LJAQVGFWSA-N 1 2 522.653 4.612 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020083619 553684498 /nfs/dbraw/zinc/68/44/98/553684498.db2.gz PEAYRXDQTQSAJL-GDLZYMKVSA-N 1 2 522.653 4.612 40 0 KJABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020083619 553684496 /nfs/dbraw/zinc/68/44/96/553684496.db2.gz PEAYRXDQTQSAJL-GDLZYMKVSA-N 1 2 522.653 4.612 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(C(C)C)cc2)cc1 ZINC000020106099 553689940 /nfs/dbraw/zinc/68/99/40/553689940.db2.gz LXFDZLRVDLQIJQ-UHFFFAOYSA-N 1 2 502.640 4.816 40 0 KJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109434 553692923 /nfs/dbraw/zinc/69/29/23/553692923.db2.gz IBTJPXKPGQMBSZ-UHFFFAOYSA-N 1 2 510.617 4.872 40 0 KJABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109434 553692920 /nfs/dbraw/zinc/69/29/20/553692920.db2.gz IBTJPXKPGQMBSZ-UHFFFAOYSA-N 1 2 510.617 4.872 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109435 553692964 /nfs/dbraw/zinc/69/29/64/553692964.db2.gz ATIHDSSTQMDQSB-UHFFFAOYSA-N 1 2 526.616 4.654 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109435 553692962 /nfs/dbraw/zinc/69/29/62/553692962.db2.gz ATIHDSSTQMDQSB-UHFFFAOYSA-N 1 2 526.616 4.654 40 0 KJABLO Cc1cccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000020109436 553692956 /nfs/dbraw/zinc/69/29/56/553692956.db2.gz YTAGAWIKYHZIGE-UHFFFAOYSA-N 1 2 510.617 4.872 40 0 KJABLO Cc1cccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000020109436 553692955 /nfs/dbraw/zinc/69/29/55/553692955.db2.gz YTAGAWIKYHZIGE-UHFFFAOYSA-N 1 2 510.617 4.872 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3cccc(C)c3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109437 553692877 /nfs/dbraw/zinc/69/28/77/553692877.db2.gz PIBXPOLTALCCJH-UHFFFAOYSA-N 1 2 526.616 4.654 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3cccc(C)c3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109437 553692875 /nfs/dbraw/zinc/69/28/75/553692875.db2.gz PIBXPOLTALCCJH-UHFFFAOYSA-N 1 2 526.616 4.654 40 0 KJABLO O=C(Nc1ccc(I)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241827 553626728 /nfs/dbraw/zinc/62/67/28/553626728.db2.gz TVAOLLRFWZXLPW-UHFFFAOYSA-N 1 2 511.407 4.861 40 0 KJABLO COC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000020242032 553626820 /nfs/dbraw/zinc/62/68/20/553626820.db2.gz SAFYFYRALJLBBT-SANMLTNESA-N 1 2 521.664 4.549 40 0 KJABLO COC(=O)c1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CC[N@H+](C)C2 ZINC000020242032 553626817 /nfs/dbraw/zinc/62/68/17/553626817.db2.gz SAFYFYRALJLBBT-SANMLTNESA-N 1 2 521.664 4.549 40 0 KJABLO COC(=O)c1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000020242034 553627033 /nfs/dbraw/zinc/62/70/33/553627033.db2.gz SAFYFYRALJLBBT-AREMUKBSSA-N 1 2 521.664 4.549 40 0 KJABLO COC(=O)c1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)sc2c1CC[N@H+](C)C2 ZINC000020242034 553627032 /nfs/dbraw/zinc/62/70/32/553627032.db2.gz SAFYFYRALJLBBT-AREMUKBSSA-N 1 2 521.664 4.549 40 0 KJABLO COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020353409 553640493 /nfs/dbraw/zinc/64/04/93/553640493.db2.gz NTLNAXJMPCNJMS-UHFFFAOYSA-N 1 2 514.445 4.570 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cccc(Cl)c2C)cc1 ZINC000020452205 553651676 /nfs/dbraw/zinc/65/16/76/553651676.db2.gz AFCXIWUWJFUPRG-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020455316 553652628 /nfs/dbraw/zinc/65/26/28/553652628.db2.gz HPNPTSMVXXDIMN-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000020461627 553656121 /nfs/dbraw/zinc/65/61/21/553656121.db2.gz DRYMKELOKJRLRD-VMPITWQZSA-N 1 2 510.059 4.920 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020484131 553658559 /nfs/dbraw/zinc/65/85/59/553658559.db2.gz DCNVKHMNNOETRF-UHFFFAOYSA-N 1 2 520.438 4.879 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(C)c(Cl)c2)cc1 ZINC000020487317 553659272 /nfs/dbraw/zinc/65/92/72/553659272.db2.gz FQRJWVHRMVXNSX-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO CCN(c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000020493066 553666025 /nfs/dbraw/zinc/66/60/25/553666025.db2.gz BUNIYSDDJRGALO-UHFFFAOYSA-N 1 2 506.653 4.739 40 0 KJABLO O=C(Nc1ccc(Cl)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccccc3C[NH+]3CCOCC3)ccc12 ZINC000020503626 291880508 /nfs/dbraw/zinc/88/05/08/291880508.db2.gz KEOATFFITLNUAL-RBBKRZOGSA-N 1 2 519.045 4.652 40 0 biogenic,in-vitro KJABLO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022429045 553739489 /nfs/dbraw/zinc/73/94/89/553739489.db2.gz WMJFHNWCQIRBQY-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022429859 553740322 /nfs/dbraw/zinc/74/03/22/553740322.db2.gz GGMDSDGWFZIXAW-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000022429971 553740313 /nfs/dbraw/zinc/74/03/13/553740313.db2.gz MQRCFUFXXGYXFT-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022429974 553740283 /nfs/dbraw/zinc/74/02/83/553740283.db2.gz IFQKYROKHMNVGH-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(C(C)C)cc2)cc1 ZINC000022430720 553740458 /nfs/dbraw/zinc/74/04/58/553740458.db2.gz MEVSPTPJZGRMSK-UHFFFAOYSA-N 1 2 502.640 4.816 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(Cl)cc2C)cc1 ZINC000022431789 553741876 /nfs/dbraw/zinc/74/18/76/553741876.db2.gz MJDFJWCRKKHJHT-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(Cl)cc2C)cc1 ZINC000022431795 553741859 /nfs/dbraw/zinc/74/18/59/553741859.db2.gz FKIVWMHYNGYGQV-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cc(Cl)ccc2C)cc1 ZINC000022431845 553741951 /nfs/dbraw/zinc/74/19/51/553741951.db2.gz WNFADZRLJVFJKI-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000022431849 553741828 /nfs/dbraw/zinc/74/18/28/553741828.db2.gz KEJCXKBXOAUUAK-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000022431933 553741913 /nfs/dbraw/zinc/74/19/13/553741913.db2.gz RHVMKWTYYDGBTM-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022511290 553743036 /nfs/dbraw/zinc/74/30/36/553743036.db2.gz LTRAIRPJRNZORB-UHFFFAOYSA-N 1 2 520.438 4.879 40 0 KJABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2Cl)cc1 ZINC000022532273 553745402 /nfs/dbraw/zinc/74/54/02/553745402.db2.gz BMGXSHGOLXRTDU-VMPITWQZSA-N 1 2 510.059 4.920 40 0 KJABLO Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2)n1 ZINC000022534178 553745868 /nfs/dbraw/zinc/74/58/68/553745868.db2.gz KPCKAUZGMMBVSZ-UHFFFAOYSA-N 1 2 527.650 4.705 40 0 KJABLO Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)n1 ZINC000022534178 553745866 /nfs/dbraw/zinc/74/58/66/553745866.db2.gz KPCKAUZGMMBVSZ-UHFFFAOYSA-N 1 2 527.650 4.705 40 0 KJABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C1=O)CC2 ZINC000022609246 553747891 /nfs/dbraw/zinc/74/78/91/553747891.db2.gz XOHBZWLCNYTEBR-HSZRJFAPSA-N 1 2 513.619 4.979 40 0 KJABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C1=O)CC2 ZINC000022609246 553747890 /nfs/dbraw/zinc/74/78/90/553747890.db2.gz XOHBZWLCNYTEBR-HSZRJFAPSA-N 1 2 513.619 4.979 40 0 KJABLO COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022834373 553756245 /nfs/dbraw/zinc/75/62/45/553756245.db2.gz FDVHWUYVTQLIRE-QPJJXVBHSA-N 1 2 510.226 4.704 40 0 KJABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000022869760 553764679 /nfs/dbraw/zinc/76/46/79/553764679.db2.gz PFYZFIHHGCDQHS-LJAQVGFWSA-N 1 2 541.700 4.552 40 0 KJABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000022869839 553765014 /nfs/dbraw/zinc/76/50/14/553765014.db2.gz PFYZFIHHGCDQHS-GDLZYMKVSA-N 1 2 541.700 4.552 40 0 KJABLO Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CC[NH+](C/C=C/c5ccccc5)CC4)cc3C[C@H]2C)cc1 ZINC000025767384 553813608 /nfs/dbraw/zinc/81/36/08/553813608.db2.gz NFSATFGPTOILDZ-CCWPHWCFSA-N 1 2 515.679 4.606 40 0 KJABLO Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)N4CC[NH+](C/C=C/c5ccccc5)CC4)cc3C[C@@H]2C)cc1 ZINC000025767388 553813522 /nfs/dbraw/zinc/81/35/22/553813522.db2.gz NFSATFGPTOILDZ-OKHPUOTASA-N 1 2 515.679 4.606 40 0 KJABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026919549 553821876 /nfs/dbraw/zinc/82/18/76/553821876.db2.gz ZKJXRHVXXVVYBF-ZYQDXHPFSA-N 1 2 506.002 4.631 40 0 KJABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026919549 553821875 /nfs/dbraw/zinc/82/18/75/553821875.db2.gz ZKJXRHVXXVVYBF-ZYQDXHPFSA-N 1 2 506.002 4.631 40 0 KJABLO CN(c1ccc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209174 553838710 /nfs/dbraw/zinc/83/87/10/553838710.db2.gz VVFNUKNCTWQNSB-UHFFFAOYSA-N 1 2 523.655 4.824 40 0 KJABLO COc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Br ZINC000028358376 553841939 /nfs/dbraw/zinc/84/19/39/553841939.db2.gz XQWHRVJYLQAKNY-UHFFFAOYSA-N 1 2 501.446 4.554 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000028617766 553843094 /nfs/dbraw/zinc/84/30/94/553843094.db2.gz VCYHMSFWCZEIAD-UHFFFAOYSA-N 1 2 520.438 4.879 40 0 KJABLO CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1C[C@H](OC(=O)C[NH+](C)C)C2 ZINC000028763156 553843658 /nfs/dbraw/zinc/84/36/58/553843658.db2.gz ZAQUAOCBNXNKTP-SFHVURJKSA-N 1 2 583.513 4.761 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030753987 553856269 /nfs/dbraw/zinc/85/62/69/553856269.db2.gz WSTLBEARBOMUFY-UHFFFAOYSA-N 1 2 519.545 4.591 40 0 KJABLO Cc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000030858520 553858899 /nfs/dbraw/zinc/85/88/99/553858899.db2.gz BIZRAEYLZAKMSB-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO O=S1(=O)C[C@H]2[C@@H](C1)[NH+]=C(SCc1ccc(Br)cc1F)N2Cc1ccc(Cl)cc1 ZINC000032508721 553869374 /nfs/dbraw/zinc/86/93/74/553869374.db2.gz XLKGQLLAPPHKCP-MSOLQXFVSA-N 1 2 503.846 4.512 40 0 KJABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccc(Br)cc3F)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508722 553869222 /nfs/dbraw/zinc/86/92/22/553869222.db2.gz XLKGQLLAPPHKCP-ROUUACIJSA-N 1 2 503.846 4.512 40 0 KJABLO O=S1(=O)C[C@H]2[NH+]=C(SCc3ccc(Br)cc3F)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508723 553869238 /nfs/dbraw/zinc/86/92/38/553869238.db2.gz XLKGQLLAPPHKCP-QZTJIDSGSA-N 1 2 503.846 4.512 40 0 KJABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccc(Br)cc3F)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508724 553869211 /nfs/dbraw/zinc/86/92/11/553869211.db2.gz XLKGQLLAPPHKCP-ZWKOTPCHSA-N 1 2 503.846 4.512 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937027 553978256 /nfs/dbraw/zinc/97/82/56/553978256.db2.gz QZTLTDIYTJIZNL-RSXGOPAZSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937027 553978253 /nfs/dbraw/zinc/97/82/53/553978253.db2.gz QZTLTDIYTJIZNL-RSXGOPAZSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937028 553978227 /nfs/dbraw/zinc/97/82/27/553978227.db2.gz QZTLTDIYTJIZNL-AOYPEHQESA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937028 553978223 /nfs/dbraw/zinc/97/82/23/553978223.db2.gz QZTLTDIYTJIZNL-AOYPEHQESA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937044 553978276 /nfs/dbraw/zinc/97/82/76/553978276.db2.gz FKSOKZAAMMWVOU-BVAGGSTKSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937044 553978272 /nfs/dbraw/zinc/97/82/72/553978272.db2.gz FKSOKZAAMMWVOU-BVAGGSTKSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937045 553978192 /nfs/dbraw/zinc/97/81/92/553978192.db2.gz FKSOKZAAMMWVOU-ZEQKJWHPSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937045 553978190 /nfs/dbraw/zinc/97/81/90/553978190.db2.gz FKSOKZAAMMWVOU-ZEQKJWHPSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937057 553978622 /nfs/dbraw/zinc/97/86/22/553978622.db2.gz WIFVBSAEACWIDT-SQHAQQRYSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937057 553978619 /nfs/dbraw/zinc/97/86/19/553978619.db2.gz WIFVBSAEACWIDT-SQHAQQRYSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937058 553978692 /nfs/dbraw/zinc/97/86/92/553978692.db2.gz WIFVBSAEACWIDT-SHQCIBLASA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937058 553978690 /nfs/dbraw/zinc/97/86/90/553978690.db2.gz WIFVBSAEACWIDT-SHQCIBLASA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937065 553978605 /nfs/dbraw/zinc/97/86/05/553978605.db2.gz DNWQLFGALYAEMW-NOZRDPDXSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937065 553978602 /nfs/dbraw/zinc/97/86/02/553978602.db2.gz DNWQLFGALYAEMW-NOZRDPDXSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937066 553978668 /nfs/dbraw/zinc/97/86/68/553978668.db2.gz DNWQLFGALYAEMW-ILBGXUMGSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937066 553978666 /nfs/dbraw/zinc/97/86/66/553978666.db2.gz DNWQLFGALYAEMW-ILBGXUMGSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937075 553978614 /nfs/dbraw/zinc/97/86/14/553978614.db2.gz DPBDIVYVCAJUDD-RSXGOPAZSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937075 553978611 /nfs/dbraw/zinc/97/86/11/553978611.db2.gz DPBDIVYVCAJUDD-RSXGOPAZSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937076 553978555 /nfs/dbraw/zinc/97/85/55/553978555.db2.gz DPBDIVYVCAJUDD-AOYPEHQESA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937076 553978553 /nfs/dbraw/zinc/97/85/53/553978553.db2.gz DPBDIVYVCAJUDD-AOYPEHQESA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937091 553978587 /nfs/dbraw/zinc/97/85/87/553978587.db2.gz FCECFBPQSOJGKN-FTJBHMTQSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937091 553978584 /nfs/dbraw/zinc/97/85/84/553978584.db2.gz FCECFBPQSOJGKN-FTJBHMTQSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937092 553978539 /nfs/dbraw/zinc/97/85/39/553978539.db2.gz FCECFBPQSOJGKN-CLJLJLNGSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937092 553978537 /nfs/dbraw/zinc/97/85/37/553978537.db2.gz FCECFBPQSOJGKN-CLJLJLNGSA-N 1 2 500.647 4.772 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937093 553978547 /nfs/dbraw/zinc/97/85/47/553978547.db2.gz XPVMHRXQXGGDEF-VPUSJEBWSA-N 1 2 516.646 4.554 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937093 553978545 /nfs/dbraw/zinc/97/85/45/553978545.db2.gz XPVMHRXQXGGDEF-VPUSJEBWSA-N 1 2 516.646 4.554 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937094 553978596 /nfs/dbraw/zinc/97/85/96/553978596.db2.gz XPVMHRXQXGGDEF-XNMGPUDCSA-N 1 2 516.646 4.554 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937094 553978594 /nfs/dbraw/zinc/97/85/94/553978594.db2.gz XPVMHRXQXGGDEF-XNMGPUDCSA-N 1 2 516.646 4.554 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937105 553978518 /nfs/dbraw/zinc/97/85/18/553978518.db2.gz FVJINTRGXNXVRC-RPBOFIJWSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937105 553978517 /nfs/dbraw/zinc/97/85/17/553978517.db2.gz FVJINTRGXNXVRC-RPBOFIJWSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937106 553978499 /nfs/dbraw/zinc/97/84/99/553978499.db2.gz FVJINTRGXNXVRC-JWQCQUIFSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937106 553978497 /nfs/dbraw/zinc/97/84/97/553978497.db2.gz FVJINTRGXNXVRC-JWQCQUIFSA-N 1 2 504.610 4.603 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000033937222 553979362 /nfs/dbraw/zinc/97/93/62/553979362.db2.gz DINHMJZPGIBFOJ-XTEPFMGCSA-N 1 2 514.674 4.698 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000033937222 553979359 /nfs/dbraw/zinc/97/93/59/553979359.db2.gz DINHMJZPGIBFOJ-XTEPFMGCSA-N 1 2 514.674 4.698 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000033937223 553979300 /nfs/dbraw/zinc/97/93/00/553979300.db2.gz DINHMJZPGIBFOJ-IXCJQBJRSA-N 1 2 514.674 4.698 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000033937223 553979297 /nfs/dbraw/zinc/97/92/97/553979297.db2.gz DINHMJZPGIBFOJ-IXCJQBJRSA-N 1 2 514.674 4.698 40 0 KJABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1C ZINC000033937257 553979247 /nfs/dbraw/zinc/97/92/47/553979247.db2.gz COJZACONECMOFN-XNMGPUDCSA-N 1 2 518.637 4.697 40 0 KJABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1C ZINC000033937257 553979244 /nfs/dbraw/zinc/97/92/44/553979244.db2.gz COJZACONECMOFN-XNMGPUDCSA-N 1 2 518.637 4.697 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000033937259 553979323 /nfs/dbraw/zinc/97/93/23/553979323.db2.gz MTIJPHKRDJAOIX-IAPPQJPRSA-N 1 2 530.673 4.808 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000033937259 553979320 /nfs/dbraw/zinc/97/93/20/553979320.db2.gz MTIJPHKRDJAOIX-IAPPQJPRSA-N 1 2 530.673 4.808 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000033937260 553979229 /nfs/dbraw/zinc/97/92/29/553979229.db2.gz MTIJPHKRDJAOIX-IXCJQBJRSA-N 1 2 530.673 4.808 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000033937260 553979225 /nfs/dbraw/zinc/97/92/25/553979225.db2.gz MTIJPHKRDJAOIX-IXCJQBJRSA-N 1 2 530.673 4.808 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033937263 553979618 /nfs/dbraw/zinc/97/96/18/553979618.db2.gz CHEDUFQRLCUMNA-RSXGOPAZSA-N 1 2 504.610 4.685 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033937263 553979617 /nfs/dbraw/zinc/97/96/17/553979617.db2.gz CHEDUFQRLCUMNA-RSXGOPAZSA-N 1 2 504.610 4.685 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033937264 553979551 /nfs/dbraw/zinc/97/95/51/553979551.db2.gz CHEDUFQRLCUMNA-AOYPEHQESA-N 1 2 504.610 4.685 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033937264 553979548 /nfs/dbraw/zinc/97/95/48/553979548.db2.gz CHEDUFQRLCUMNA-AOYPEHQESA-N 1 2 504.610 4.685 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033937285 553979532 /nfs/dbraw/zinc/97/95/32/553979532.db2.gz BJOSLKZTPRAMLK-FTJBHMTQSA-N 1 2 500.647 4.854 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033937285 553979531 /nfs/dbraw/zinc/97/95/31/553979531.db2.gz BJOSLKZTPRAMLK-FTJBHMTQSA-N 1 2 500.647 4.854 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033937286 553979602 /nfs/dbraw/zinc/97/96/02/553979602.db2.gz BJOSLKZTPRAMLK-CLJLJLNGSA-N 1 2 500.647 4.854 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033937286 553979600 /nfs/dbraw/zinc/97/96/00/553979600.db2.gz BJOSLKZTPRAMLK-CLJLJLNGSA-N 1 2 500.647 4.854 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033937287 553979631 /nfs/dbraw/zinc/97/96/31/553979631.db2.gz BQSHPHHXTYJSJC-VWNXMTODSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033937287 553979630 /nfs/dbraw/zinc/97/96/30/553979630.db2.gz BQSHPHHXTYJSJC-VWNXMTODSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033937288 553979660 /nfs/dbraw/zinc/97/96/60/553979660.db2.gz BQSHPHHXTYJSJC-ISKFKSNPSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000033937288 553979657 /nfs/dbraw/zinc/97/96/57/553979657.db2.gz BQSHPHHXTYJSJC-ISKFKSNPSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937289 553979613 /nfs/dbraw/zinc/97/96/13/553979613.db2.gz BGCADYZZJCUZRK-QPPBQGQZSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937289 553979612 /nfs/dbraw/zinc/97/96/12/553979612.db2.gz BGCADYZZJCUZRK-QPPBQGQZSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937290 553979668 /nfs/dbraw/zinc/97/96/68/553979668.db2.gz BGCADYZZJCUZRK-ZJSXRUAMSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937290 553979666 /nfs/dbraw/zinc/97/96/66/553979666.db2.gz BGCADYZZJCUZRK-ZJSXRUAMSA-N 1 2 506.676 4.916 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000033937348 553979540 /nfs/dbraw/zinc/97/95/40/553979540.db2.gz RLSXJGKTJUJHTB-VPUSJEBWSA-N 1 2 516.646 4.636 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000033937348 553979537 /nfs/dbraw/zinc/97/95/37/553979537.db2.gz RLSXJGKTJUJHTB-VPUSJEBWSA-N 1 2 516.646 4.636 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000033937349 553979595 /nfs/dbraw/zinc/97/95/95/553979595.db2.gz RLSXJGKTJUJHTB-XNMGPUDCSA-N 1 2 516.646 4.636 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000033937349 553979593 /nfs/dbraw/zinc/97/95/93/553979593.db2.gz RLSXJGKTJUJHTB-XNMGPUDCSA-N 1 2 516.646 4.636 40 0 KJABLO C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CC[N@H+]([C@H]13)[C@H]6[C@H]1OC1(C)C ZINC000038139761 554261401 /nfs/dbraw/zinc/26/14/01/554261401.db2.gz XZFSMUXVAYCHFO-CMYCEKQTSA-N 1 2 508.666 4.692 40 0 biogenic,in-vitro KJABLO C/C=C/C=C/C(=O)N1CC[C@]23c4ccccc4N[C@H]4N(C)c5cccc6c5[C@]42CC[N@@H+]([C@H]13)[C@H]6[C@H]1OC1(C)C ZINC000038139761 554261397 /nfs/dbraw/zinc/26/13/97/554261397.db2.gz XZFSMUXVAYCHFO-CMYCEKQTSA-N 1 2 508.666 4.692 40 0 biogenic,in-vitro KJABLO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)cc1Cl ZINC000038752595 554275410 /nfs/dbraw/zinc/27/54/10/554275410.db2.gz AVPQBBRTTQCZTQ-UHFFFAOYSA-N 1 2 500.020 4.534 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038753496 554275724 /nfs/dbraw/zinc/27/57/24/554275724.db2.gz ATZRGACMOANVGH-UHFFFAOYSA-N 1 2 520.438 4.879 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000038755545 554276336 /nfs/dbraw/zinc/27/63/36/554276336.db2.gz ZFDUQOQEVIJDFV-UHFFFAOYSA-N 1 2 501.608 4.725 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039755650 554280170 /nfs/dbraw/zinc/28/01/70/554280170.db2.gz WWNQMABOXGGTFL-UHFFFAOYSA-N 1 2 509.028 4.587 40 0 KJABLO CCOc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1Br ZINC000041091741 554294934 /nfs/dbraw/zinc/29/49/34/554294934.db2.gz HYTLGMQMYIBIGD-UHFFFAOYSA-N 1 2 515.473 4.944 40 0 KJABLO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000044900981 554308842 /nfs/dbraw/zinc/30/88/42/554308842.db2.gz WGLXHWMMRVAHTI-UHFFFAOYSA-N 1 2 515.422 4.691 40 0 KJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)cc4OC)cc3n2)cc1 ZINC000057313072 554353781 /nfs/dbraw/zinc/35/37/81/554353781.db2.gz NZOCWHGPRSFQSR-UHFFFAOYSA-N 1 2 518.643 4.719 40 0 KJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057589890 554357718 /nfs/dbraw/zinc/35/77/18/554357718.db2.gz HCHMGOFEEKWLOV-NDEPHWFRSA-N 1 2 508.626 4.800 40 0 KJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057589890 554357715 /nfs/dbraw/zinc/35/77/15/554357715.db2.gz HCHMGOFEEKWLOV-NDEPHWFRSA-N 1 2 508.626 4.800 40 0 KJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057589892 554357829 /nfs/dbraw/zinc/35/78/29/554357829.db2.gz HCHMGOFEEKWLOV-MUUNZHRXSA-N 1 2 508.626 4.800 40 0 KJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057589892 554357826 /nfs/dbraw/zinc/35/78/26/554357826.db2.gz HCHMGOFEEKWLOV-MUUNZHRXSA-N 1 2 508.626 4.800 40 0 KJABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057589914 554357685 /nfs/dbraw/zinc/35/76/85/554357685.db2.gz LCJBIROBHPCNAI-NDEPHWFRSA-N 1 2 508.626 4.800 40 0 KJABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057589914 554357682 /nfs/dbraw/zinc/35/76/82/554357682.db2.gz LCJBIROBHPCNAI-NDEPHWFRSA-N 1 2 508.626 4.800 40 0 KJABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057589916 554358057 /nfs/dbraw/zinc/35/80/57/554358057.db2.gz LCJBIROBHPCNAI-MUUNZHRXSA-N 1 2 508.626 4.800 40 0 KJABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057589916 554358051 /nfs/dbraw/zinc/35/80/51/554358051.db2.gz LCJBIROBHPCNAI-MUUNZHRXSA-N 1 2 508.626 4.800 40 0 KJABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057594679 554358066 /nfs/dbraw/zinc/35/80/66/554358066.db2.gz OBDGLBMYLPNENZ-NDEPHWFRSA-N 1 2 522.584 4.589 40 0 KJABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057594679 554358063 /nfs/dbraw/zinc/35/80/63/554358063.db2.gz OBDGLBMYLPNENZ-NDEPHWFRSA-N 1 2 522.584 4.589 40 0 KJABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057594683 554358042 /nfs/dbraw/zinc/35/80/42/554358042.db2.gz OBDGLBMYLPNENZ-MUUNZHRXSA-N 1 2 522.584 4.589 40 0 KJABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057594683 554358038 /nfs/dbraw/zinc/35/80/38/554358038.db2.gz OBDGLBMYLPNENZ-MUUNZHRXSA-N 1 2 522.584 4.589 40 0 KJABLO COc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000057594945 554358507 /nfs/dbraw/zinc/35/85/07/554358507.db2.gz YWHRMPIBRKLKKC-MHZLTWQESA-N 1 2 530.604 4.665 40 0 KJABLO COc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000057594945 554358502 /nfs/dbraw/zinc/35/85/02/554358502.db2.gz YWHRMPIBRKLKKC-MHZLTWQESA-N 1 2 530.604 4.665 40 0 KJABLO COc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000057594950 554358670 /nfs/dbraw/zinc/35/86/70/554358670.db2.gz YWHRMPIBRKLKKC-HHHXNRCGSA-N 1 2 530.604 4.665 40 0 KJABLO COc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1OC ZINC000057594950 554358665 /nfs/dbraw/zinc/35/86/65/554358665.db2.gz YWHRMPIBRKLKKC-HHHXNRCGSA-N 1 2 530.604 4.665 40 0 KJABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000057595040 554358537 /nfs/dbraw/zinc/35/85/37/554358537.db2.gz SLXLRMPLGPZMHV-MHZLTWQESA-N 1 2 528.588 4.766 40 0 KJABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000057595040 554358530 /nfs/dbraw/zinc/35/85/30/554358530.db2.gz SLXLRMPLGPZMHV-MHZLTWQESA-N 1 2 528.588 4.766 40 0 KJABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[N@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000057595046 554358566 /nfs/dbraw/zinc/35/85/66/554358566.db2.gz SLXLRMPLGPZMHV-HHHXNRCGSA-N 1 2 528.588 4.766 40 0 KJABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000057595046 554358561 /nfs/dbraw/zinc/35/85/61/554358561.db2.gz SLXLRMPLGPZMHV-HHHXNRCGSA-N 1 2 528.588 4.766 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057640676 554361163 /nfs/dbraw/zinc/36/11/63/554361163.db2.gz ASNYCLQAIFMNIY-BDYUSTAISA-N 1 2 500.647 4.718 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057640676 554361161 /nfs/dbraw/zinc/36/11/61/554361161.db2.gz ASNYCLQAIFMNIY-BDYUSTAISA-N 1 2 500.647 4.718 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057640679 554361057 /nfs/dbraw/zinc/36/10/57/554361057.db2.gz ASNYCLQAIFMNIY-AHKZPQOWSA-N 1 2 500.647 4.718 40 0 KJABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000057640679 554361053 /nfs/dbraw/zinc/36/10/53/554361053.db2.gz ASNYCLQAIFMNIY-AHKZPQOWSA-N 1 2 500.647 4.718 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640891 554361157 /nfs/dbraw/zinc/36/11/57/554361157.db2.gz UERTWRVMGGGLMF-SANMLTNESA-N 1 2 502.619 4.800 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640891 554361155 /nfs/dbraw/zinc/36/11/55/554361155.db2.gz UERTWRVMGGGLMF-SANMLTNESA-N 1 2 502.619 4.800 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640894 554361326 /nfs/dbraw/zinc/36/13/26/554361326.db2.gz UERTWRVMGGGLMF-AREMUKBSSA-N 1 2 502.619 4.800 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640894 554361322 /nfs/dbraw/zinc/36/13/22/554361322.db2.gz UERTWRVMGGGLMF-AREMUKBSSA-N 1 2 502.619 4.800 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640952 554361436 /nfs/dbraw/zinc/36/14/36/554361436.db2.gz WXLBGDZXKHFUTL-VWLOTQADSA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640952 554361433 /nfs/dbraw/zinc/36/14/33/554361433.db2.gz WXLBGDZXKHFUTL-VWLOTQADSA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640954 554361315 /nfs/dbraw/zinc/36/13/15/554361315.db2.gz WXLBGDZXKHFUTL-RUZDIDTESA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640954 554361310 /nfs/dbraw/zinc/36/13/10/554361310.db2.gz WXLBGDZXKHFUTL-RUZDIDTESA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641113 554361492 /nfs/dbraw/zinc/36/14/92/554361492.db2.gz IGGRSDBFXWRGQG-SANMLTNESA-N 1 2 502.619 4.800 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641113 554361489 /nfs/dbraw/zinc/36/14/89/554361489.db2.gz IGGRSDBFXWRGQG-SANMLTNESA-N 1 2 502.619 4.800 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641117 554361279 /nfs/dbraw/zinc/36/12/79/554361279.db2.gz IGGRSDBFXWRGQG-AREMUKBSSA-N 1 2 502.619 4.800 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641117 554361275 /nfs/dbraw/zinc/36/12/75/554361275.db2.gz IGGRSDBFXWRGQG-AREMUKBSSA-N 1 2 502.619 4.800 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641149 554361338 /nfs/dbraw/zinc/36/13/38/554361338.db2.gz CRDFGYUIBRZKLK-VWLOTQADSA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641149 554361333 /nfs/dbraw/zinc/36/13/33/554361333.db2.gz CRDFGYUIBRZKLK-VWLOTQADSA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641154 554361867 /nfs/dbraw/zinc/36/18/67/554361867.db2.gz CRDFGYUIBRZKLK-RUZDIDTESA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641154 554361865 /nfs/dbraw/zinc/36/18/65/554361865.db2.gz CRDFGYUIBRZKLK-RUZDIDTESA-N 1 2 530.629 4.911 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641242 554361790 /nfs/dbraw/zinc/36/17/90/554361790.db2.gz DAXSUOUQXSYTNM-VWLOTQADSA-N 1 2 530.629 4.563 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641242 554361788 /nfs/dbraw/zinc/36/17/88/554361788.db2.gz DAXSUOUQXSYTNM-VWLOTQADSA-N 1 2 530.629 4.563 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641245 554361764 /nfs/dbraw/zinc/36/17/64/554361764.db2.gz DAXSUOUQXSYTNM-RUZDIDTESA-N 1 2 530.629 4.563 40 0 KJABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641245 554361762 /nfs/dbraw/zinc/36/17/62/554361762.db2.gz DAXSUOUQXSYTNM-RUZDIDTESA-N 1 2 530.629 4.563 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641253 554361810 /nfs/dbraw/zinc/36/18/10/554361810.db2.gz KKKAKXDRPYEFTC-VWLOTQADSA-N 1 2 514.630 4.945 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641253 554361807 /nfs/dbraw/zinc/36/18/07/554361807.db2.gz KKKAKXDRPYEFTC-VWLOTQADSA-N 1 2 514.630 4.945 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641258 554361737 /nfs/dbraw/zinc/36/17/37/554361737.db2.gz KKKAKXDRPYEFTC-RUZDIDTESA-N 1 2 514.630 4.945 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641258 554361736 /nfs/dbraw/zinc/36/17/36/554361736.db2.gz KKKAKXDRPYEFTC-RUZDIDTESA-N 1 2 514.630 4.945 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641500 554362356 /nfs/dbraw/zinc/36/23/56/554362356.db2.gz QZTLTDIYTJIZNL-AHWVRZQESA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641500 554362354 /nfs/dbraw/zinc/36/23/54/554362354.db2.gz QZTLTDIYTJIZNL-AHWVRZQESA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641502 554362104 /nfs/dbraw/zinc/36/21/04/554362104.db2.gz QZTLTDIYTJIZNL-AZGAKELHSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641502 554362100 /nfs/dbraw/zinc/36/21/00/554362100.db2.gz QZTLTDIYTJIZNL-AZGAKELHSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641598 554362718 /nfs/dbraw/zinc/36/27/18/554362718.db2.gz BGAYMDHOALSRMW-BDYUSTAISA-N 1 2 500.647 4.506 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641598 554362715 /nfs/dbraw/zinc/36/27/15/554362715.db2.gz BGAYMDHOALSRMW-BDYUSTAISA-N 1 2 500.647 4.506 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641600 554362506 /nfs/dbraw/zinc/36/25/06/554362506.db2.gz BGAYMDHOALSRMW-AHKZPQOWSA-N 1 2 500.647 4.506 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641600 554362502 /nfs/dbraw/zinc/36/25/02/554362502.db2.gz BGAYMDHOALSRMW-AHKZPQOWSA-N 1 2 500.647 4.506 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641780 554362545 /nfs/dbraw/zinc/36/25/45/554362545.db2.gz FKSOKZAAMMWVOU-OZXSUGGESA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641780 554362541 /nfs/dbraw/zinc/36/25/41/554362541.db2.gz FKSOKZAAMMWVOU-OZXSUGGESA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641782 554362747 /nfs/dbraw/zinc/36/27/47/554362747.db2.gz FKSOKZAAMMWVOU-JYFHCDHNSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641782 554362744 /nfs/dbraw/zinc/36/27/44/554362744.db2.gz FKSOKZAAMMWVOU-JYFHCDHNSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641870 554362709 /nfs/dbraw/zinc/36/27/09/554362709.db2.gz WIFVBSAEACWIDT-IGKIAQTJSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641870 554362705 /nfs/dbraw/zinc/36/27/05/554362705.db2.gz WIFVBSAEACWIDT-IGKIAQTJSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641874 554362661 /nfs/dbraw/zinc/36/26/61/554362661.db2.gz WIFVBSAEACWIDT-RPLLCQBOSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641874 554362657 /nfs/dbraw/zinc/36/26/57/554362657.db2.gz WIFVBSAEACWIDT-RPLLCQBOSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642128 554363493 /nfs/dbraw/zinc/36/34/93/554363493.db2.gz DHYHCTKFJQNOFM-UIOOFZCWSA-N 1 2 500.647 4.506 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642128 554363488 /nfs/dbraw/zinc/36/34/88/554363488.db2.gz DHYHCTKFJQNOFM-UIOOFZCWSA-N 1 2 500.647 4.506 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642132 554363365 /nfs/dbraw/zinc/36/33/65/554363365.db2.gz DHYHCTKFJQNOFM-IZZNHLLZSA-N 1 2 500.647 4.506 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642132 554363361 /nfs/dbraw/zinc/36/33/61/554363361.db2.gz DHYHCTKFJQNOFM-IZZNHLLZSA-N 1 2 500.647 4.506 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642263 554363386 /nfs/dbraw/zinc/36/33/86/554363386.db2.gz DNWQLFGALYAEMW-ZCYQVOJMSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642263 554363383 /nfs/dbraw/zinc/36/33/83/554363383.db2.gz DNWQLFGALYAEMW-ZCYQVOJMSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642267 554363438 /nfs/dbraw/zinc/36/34/38/554363438.db2.gz DNWQLFGALYAEMW-UKILVPOCSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642267 554363434 /nfs/dbraw/zinc/36/34/34/554363434.db2.gz DNWQLFGALYAEMW-UKILVPOCSA-N 1 2 504.610 4.603 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642382 554363620 /nfs/dbraw/zinc/36/36/20/554363620.db2.gz DPBDIVYVCAJUDD-AHWVRZQESA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642382 554363615 /nfs/dbraw/zinc/36/36/15/554363615.db2.gz DPBDIVYVCAJUDD-AHWVRZQESA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642385 554363705 /nfs/dbraw/zinc/36/37/05/554363705.db2.gz DPBDIVYVCAJUDD-AZGAKELHSA-N 1 2 500.647 4.772 40 0 KJABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642385 554363703 /nfs/dbraw/zinc/36/37/03/554363703.db2.gz DPBDIVYVCAJUDD-AZGAKELHSA-N 1 2 500.647 4.772 40 0 KJABLO COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3n2Cc2[nH+]ccc(OCCCOC)c2C)c1C ZINC000059024178 1067209347 /nfs/dbraw/zinc/20/93/47/1067209347.db2.gz GPEBYGLKBPIFHI-LDLOPFEMSA-N 1 2 552.697 4.630 40 0 KJABLO COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3n2Cc2[nH+]ccc(OCCCOC)c2C)c1C ZINC000059024180 1067209277 /nfs/dbraw/zinc/20/92/77/1067209277.db2.gz GPEBYGLKBPIFHI-KDXMTYKHSA-N 1 2 552.697 4.630 40 0 KJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c(OC)c4)cc3n2)cc1 ZINC000059331602 554389738 /nfs/dbraw/zinc/38/97/38/554389738.db2.gz HCBNINZEYXQRBC-UHFFFAOYSA-N 1 2 518.643 4.719 40 0 KJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 ZINC000059331609 554389800 /nfs/dbraw/zinc/38/98/00/554389800.db2.gz WULFQGVSXOIBHG-UHFFFAOYSA-N 1 2 518.643 4.719 40 0 KJABLO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000059853726 554454999 /nfs/dbraw/zinc/45/49/99/554454999.db2.gz WIVVONFJCKQFMY-UHFFFAOYSA-N 1 2 536.679 4.505 40 0 KJABLO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000059853737 554454872 /nfs/dbraw/zinc/45/48/72/554454872.db2.gz XCSHTYXZLKQICT-UHFFFAOYSA-N 1 2 536.679 4.505 40 0 KJABLO CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000059928622 554476663 /nfs/dbraw/zinc/47/66/63/554476663.db2.gz JQBVOYJIQCEAMP-VMPITWQZSA-N 1 2 554.112 4.543 40 0 KJABLO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000059929016 554477303 /nfs/dbraw/zinc/47/73/03/554477303.db2.gz QVFKIWHQHUXLPV-JXMROGBWSA-N 1 2 554.112 4.543 40 0 KJABLO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000059929306 554477867 /nfs/dbraw/zinc/47/78/67/554477867.db2.gz AJKBBTCCKYHGDR-WKMHLBOISA-N 1 2 558.531 4.741 40 0 KJABLO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000059929309 554477819 /nfs/dbraw/zinc/47/78/19/554477819.db2.gz AJKBBTCCKYHGDR-PATFTRMSSA-N 1 2 558.531 4.741 40 0 KJABLO COc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000059930952 554480795 /nfs/dbraw/zinc/48/07/95/554480795.db2.gz MXQTVZHWEWXWRQ-JXMROGBWSA-N 1 2 584.138 4.795 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000060016441 554487569 /nfs/dbraw/zinc/48/75/69/554487569.db2.gz NYMKYSXMEYLQNJ-UHFFFAOYSA-N 1 2 528.556 4.711 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000060016536 554487875 /nfs/dbraw/zinc/48/78/75/554487875.db2.gz KTCPXOLZJPYZQZ-UHFFFAOYSA-N 1 2 529.449 4.999 40 0 KJABLO CCOc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000060061109 554501923 /nfs/dbraw/zinc/50/19/23/554501923.db2.gz GVXLFEUADLUQLF-UHFFFAOYSA-N 1 2 536.679 4.505 40 0 KJABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4cc(OC)c(OC)c(OC)c4)n3)cn2)cc1 ZINC000067879656 554534631 /nfs/dbraw/zinc/53/46/31/554534631.db2.gz RIPJGMSTFXKJEO-QFIPXVFZSA-N 1 2 545.596 4.755 40 0 biogenic,in-vitro KJABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4cc(OC)c(OC)c(OC)c4)n3)cn2)cc1 ZINC000067879656 554534628 /nfs/dbraw/zinc/53/46/28/554534628.db2.gz RIPJGMSTFXKJEO-QFIPXVFZSA-N 1 2 545.596 4.755 40 0 biogenic,in-vitro KJABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000067889502 554534475 /nfs/dbraw/zinc/53/44/75/554534475.db2.gz UVHIWXBWBQIWHJ-FQEVSTJZSA-N 1 2 542.474 4.867 40 0 biogenic,in-vitro KJABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000067889502 554534471 /nfs/dbraw/zinc/53/44/71/554534471.db2.gz UVHIWXBWBQIWHJ-FQEVSTJZSA-N 1 2 542.474 4.867 40 0 biogenic,in-vitro KJABLO COc1cccc(NC(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2C(C)C)c1 ZINC000067890455 291874996 /nfs/dbraw/zinc/87/49/96/291874996.db2.gz IWBALQAVASMYOI-DPZBCOQUSA-N 1 2 519.690 4.805 40 0 biogenic,in-vitro KJABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[C@@]2(C)Cc3sc(CSc4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000067898846 554535247 /nfs/dbraw/zinc/53/52/47/554535247.db2.gz DXXLDFGKLGFPBE-SOXPOPMXSA-N 1 2 543.799 4.573 40 0 biogenic,in-vitro KJABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[C@@]2(C)Cc3sc(CSc4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000067898847 291875889 /nfs/dbraw/zinc/87/58/89/291875889.db2.gz DXXLDFGKLGFPBE-PTIPFFTOSA-N 1 2 543.799 4.573 40 0 biogenic,in-vitro KJABLO COC(=O)[C@@H]([NH3+])Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 ZINC000085480901 553682214 /nfs/dbraw/zinc/68/22/14/553682214.db2.gz ZTSGDCMQRKBJKC-ZDUSSCGKSA-N 1 2 790.899 4.646 40 0 in-vitro KJABLO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956562 553839834 /nfs/dbraw/zinc/83/98/34/553839834.db2.gz IQUHXFHRBYUFTH-JKVWPPNKSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956562 553839832 /nfs/dbraw/zinc/83/98/32/553839832.db2.gz IQUHXFHRBYUFTH-JKVWPPNKSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956563 553839780 /nfs/dbraw/zinc/83/97/80/553839780.db2.gz IQUHXFHRBYUFTH-RRRZJGRGSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956563 553839777 /nfs/dbraw/zinc/83/97/77/553839777.db2.gz IQUHXFHRBYUFTH-RRRZJGRGSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956564 553839793 /nfs/dbraw/zinc/83/97/93/553839793.db2.gz IQUHXFHRBYUFTH-FXPZQQRVSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956564 553839789 /nfs/dbraw/zinc/83/97/89/553839789.db2.gz IQUHXFHRBYUFTH-FXPZQQRVSA-N 1 2 528.008 4.753 40 0 KJABLO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000098045983 554135026 /nfs/dbraw/zinc/13/50/26/554135026.db2.gz MRCVPURLSJDNLA-UHFFFAOYSA-N 1 2 525.403 4.555 40 0 KJABLO COc1c(Br)cc(Br)cc1/C=C/C(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000100321977 554306048 /nfs/dbraw/zinc/30/60/48/554306048.db2.gz XHAZPZBUTUXZFQ-QPJJXVBHSA-N 1 2 569.319 4.579 40 0 KJABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000100346528 554330290 /nfs/dbraw/zinc/33/02/90/554330290.db2.gz RKQPSJOUTBNWFD-UHFFFAOYSA-N 1 2 557.101 4.811 40 0 KJABLO CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3[nH+]cnc4c3cnn4-c3ccc(Cl)cc3)cc2)CC1 ZINC000100346625 554330312 /nfs/dbraw/zinc/33/03/12/554330312.db2.gz CEZHCBTWEWIQLD-UHFFFAOYSA-N 1 2 557.101 4.620 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370494 554356183 /nfs/dbraw/zinc/35/61/83/554356183.db2.gz NDMRXVRRWPDKCF-SANMLTNESA-N 1 2 544.656 4.953 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370494 554356181 /nfs/dbraw/zinc/35/61/81/554356181.db2.gz NDMRXVRRWPDKCF-SANMLTNESA-N 1 2 544.656 4.953 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370497 554356161 /nfs/dbraw/zinc/35/61/61/554356161.db2.gz NDMRXVRRWPDKCF-AREMUKBSSA-N 1 2 544.656 4.953 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370497 554356160 /nfs/dbraw/zinc/35/61/60/554356160.db2.gz NDMRXVRRWPDKCF-AREMUKBSSA-N 1 2 544.656 4.953 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370503 554356157 /nfs/dbraw/zinc/35/61/57/554356157.db2.gz COBUHENRDHSYNL-DEOSSOPVSA-N 1 2 558.639 4.673 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370503 554356156 /nfs/dbraw/zinc/35/61/56/554356156.db2.gz COBUHENRDHSYNL-DEOSSOPVSA-N 1 2 558.639 4.673 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370506 554356080 /nfs/dbraw/zinc/35/60/80/554356080.db2.gz COBUHENRDHSYNL-XMMPIXPASA-N 1 2 558.639 4.673 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370506 554356077 /nfs/dbraw/zinc/35/60/77/554356077.db2.gz COBUHENRDHSYNL-XMMPIXPASA-N 1 2 558.639 4.673 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370975 554356339 /nfs/dbraw/zinc/35/63/39/554356339.db2.gz LDWOWEXRHVZBGR-NDEPHWFRSA-N 1 2 568.678 4.937 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370975 554356336 /nfs/dbraw/zinc/35/63/36/554356336.db2.gz LDWOWEXRHVZBGR-NDEPHWFRSA-N 1 2 568.678 4.937 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370979 554356421 /nfs/dbraw/zinc/35/64/21/554356421.db2.gz LDWOWEXRHVZBGR-MUUNZHRXSA-N 1 2 568.678 4.937 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370979 554356418 /nfs/dbraw/zinc/35/64/18/554356418.db2.gz LDWOWEXRHVZBGR-MUUNZHRXSA-N 1 2 568.678 4.937 40 0 KJABLO COc1ccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000100373704 554358386 /nfs/dbraw/zinc/35/83/86/554358386.db2.gz CKRCYZJCKBYSGO-UHFFFAOYSA-N 1 2 552.679 4.636 40 0 KJABLO COc1ccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1OC ZINC000100373704 554358382 /nfs/dbraw/zinc/35/83/82/554358382.db2.gz CKRCYZJCKBYSGO-UHFFFAOYSA-N 1 2 552.679 4.636 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374559 554358837 /nfs/dbraw/zinc/35/88/37/554358837.db2.gz PLHVZRSOICOQQH-SANMLTNESA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374559 554358836 /nfs/dbraw/zinc/35/88/36/554358836.db2.gz PLHVZRSOICOQQH-SANMLTNESA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374562 554358831 /nfs/dbraw/zinc/35/88/31/554358831.db2.gz PLHVZRSOICOQQH-AREMUKBSSA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374562 554358830 /nfs/dbraw/zinc/35/88/30/554358830.db2.gz PLHVZRSOICOQQH-AREMUKBSSA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374939 554359260 /nfs/dbraw/zinc/35/92/60/554359260.db2.gz OAGVAFQDSPZDIO-VWLOTQADSA-N 1 2 544.562 4.723 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374939 554359257 /nfs/dbraw/zinc/35/92/57/554359257.db2.gz OAGVAFQDSPZDIO-VWLOTQADSA-N 1 2 544.562 4.723 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374943 554359232 /nfs/dbraw/zinc/35/92/32/554359232.db2.gz OAGVAFQDSPZDIO-RUZDIDTESA-N 1 2 544.562 4.723 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374943 554359230 /nfs/dbraw/zinc/35/92/30/554359230.db2.gz OAGVAFQDSPZDIO-RUZDIDTESA-N 1 2 544.562 4.723 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374960 554359240 /nfs/dbraw/zinc/35/92/40/554359240.db2.gz MANFEUKITLQSSW-SANMLTNESA-N 1 2 540.599 4.779 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374960 554359239 /nfs/dbraw/zinc/35/92/39/554359239.db2.gz MANFEUKITLQSSW-SANMLTNESA-N 1 2 540.599 4.779 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374964 554359202 /nfs/dbraw/zinc/35/92/02/554359202.db2.gz MANFEUKITLQSSW-AREMUKBSSA-N 1 2 540.599 4.779 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100374964 554359199 /nfs/dbraw/zinc/35/91/99/554359199.db2.gz MANFEUKITLQSSW-AREMUKBSSA-N 1 2 540.599 4.779 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375201 554359473 /nfs/dbraw/zinc/35/94/73/554359473.db2.gz IZFQSGNFMWGSSC-SANMLTNESA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375201 554359470 /nfs/dbraw/zinc/35/94/70/554359470.db2.gz IZFQSGNFMWGSSC-SANMLTNESA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375206 554359444 /nfs/dbraw/zinc/35/94/44/554359444.db2.gz IZFQSGNFMWGSSC-AREMUKBSSA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375206 554359442 /nfs/dbraw/zinc/35/94/42/554359442.db2.gz IZFQSGNFMWGSSC-AREMUKBSSA-N 1 2 540.599 4.893 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375215 554359488 /nfs/dbraw/zinc/35/94/88/554359488.db2.gz VLUSVDPRNJANAM-MHZLTWQESA-N 1 2 552.635 4.762 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375215 554359485 /nfs/dbraw/zinc/35/94/85/554359485.db2.gz VLUSVDPRNJANAM-MHZLTWQESA-N 1 2 552.635 4.762 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375220 554359593 /nfs/dbraw/zinc/35/95/93/554359593.db2.gz VLUSVDPRNJANAM-HHHXNRCGSA-N 1 2 552.635 4.762 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375220 554359589 /nfs/dbraw/zinc/35/95/89/554359589.db2.gz VLUSVDPRNJANAM-HHHXNRCGSA-N 1 2 552.635 4.762 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375231 554359507 /nfs/dbraw/zinc/35/95/07/554359507.db2.gz FQNLPPHJHDJDPR-MHZLTWQESA-N 1 2 536.636 4.948 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375231 554359504 /nfs/dbraw/zinc/35/95/04/554359504.db2.gz FQNLPPHJHDJDPR-MHZLTWQESA-N 1 2 536.636 4.948 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375235 554359480 /nfs/dbraw/zinc/35/94/80/554359480.db2.gz FQNLPPHJHDJDPR-HHHXNRCGSA-N 1 2 536.636 4.948 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100375235 554359478 /nfs/dbraw/zinc/35/94/78/554359478.db2.gz FQNLPPHJHDJDPR-HHHXNRCGSA-N 1 2 536.636 4.948 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100375319 554359635 /nfs/dbraw/zinc/35/96/35/554359635.db2.gz MWPAIHAWGQIBMD-MHZLTWQESA-N 1 2 552.635 4.844 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100375319 554359630 /nfs/dbraw/zinc/35/96/30/554359630.db2.gz MWPAIHAWGQIBMD-MHZLTWQESA-N 1 2 552.635 4.844 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100375324 554359540 /nfs/dbraw/zinc/35/95/40/554359540.db2.gz MWPAIHAWGQIBMD-HHHXNRCGSA-N 1 2 552.635 4.844 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000100375324 554359538 /nfs/dbraw/zinc/35/95/38/554359538.db2.gz MWPAIHAWGQIBMD-HHHXNRCGSA-N 1 2 552.635 4.844 40 0 KJABLO CC(C)[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100387717 554365189 /nfs/dbraw/zinc/36/51/89/554365189.db2.gz BQVPPRRGBVFFCP-NDEPHWFRSA-N 1 2 558.639 4.877 40 0 KJABLO CC(C)[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100387717 554365185 /nfs/dbraw/zinc/36/51/85/554365185.db2.gz BQVPPRRGBVFFCP-NDEPHWFRSA-N 1 2 558.639 4.877 40 0 KJABLO CC(C)[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100387723 554365159 /nfs/dbraw/zinc/36/51/59/554365159.db2.gz BQVPPRRGBVFFCP-MUUNZHRXSA-N 1 2 558.639 4.877 40 0 KJABLO CC(C)[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100387723 554365155 /nfs/dbraw/zinc/36/51/55/554365155.db2.gz BQVPPRRGBVFFCP-MUUNZHRXSA-N 1 2 558.639 4.877 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3OC)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000100387779 554365147 /nfs/dbraw/zinc/36/51/47/554365147.db2.gz WGESJMXTXKOKIY-MUUNZHRXSA-N 1 2 542.640 4.963 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3OC)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000100387779 554365143 /nfs/dbraw/zinc/36/51/43/554365143.db2.gz WGESJMXTXKOKIY-MUUNZHRXSA-N 1 2 542.640 4.963 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100389329 554365818 /nfs/dbraw/zinc/36/58/18/554365818.db2.gz QRQQMPIOWPIFNN-DQEYMECFSA-N 1 2 544.656 4.583 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100389329 554365815 /nfs/dbraw/zinc/36/58/15/554365815.db2.gz QRQQMPIOWPIFNN-DQEYMECFSA-N 1 2 544.656 4.583 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100389332 554365801 /nfs/dbraw/zinc/36/58/01/554365801.db2.gz QRQQMPIOWPIFNN-LOSJGSFVSA-N 1 2 544.656 4.583 40 0 KJABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100389332 554365799 /nfs/dbraw/zinc/36/57/99/554365799.db2.gz QRQQMPIOWPIFNN-LOSJGSFVSA-N 1 2 544.656 4.583 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100389336 554365841 /nfs/dbraw/zinc/36/58/41/554365841.db2.gz QRQQMPIOWPIFNN-RPBOFIJWSA-N 1 2 544.656 4.583 40 0 KJABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100389336 554365837 /nfs/dbraw/zinc/36/58/37/554365837.db2.gz QRQQMPIOWPIFNN-RPBOFIJWSA-N 1 2 544.656 4.583 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100389339 554366133 /nfs/dbraw/zinc/36/61/33/554366133.db2.gz QRQQMPIOWPIFNN-JWQCQUIFSA-N 1 2 544.656 4.583 40 0 KJABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100389339 554366126 /nfs/dbraw/zinc/36/61/26/554366126.db2.gz QRQQMPIOWPIFNN-JWQCQUIFSA-N 1 2 544.656 4.583 40 0 KJABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389355 554366058 /nfs/dbraw/zinc/36/60/58/554366058.db2.gz GLTGXPRXIRYJIV-SANMLTNESA-N 1 2 580.645 4.758 40 0 KJABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389355 554366054 /nfs/dbraw/zinc/36/60/54/554366054.db2.gz GLTGXPRXIRYJIV-SANMLTNESA-N 1 2 580.645 4.758 40 0 KJABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389359 554366078 /nfs/dbraw/zinc/36/60/78/554366078.db2.gz GLTGXPRXIRYJIV-AREMUKBSSA-N 1 2 580.645 4.758 40 0 KJABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100389359 554366074 /nfs/dbraw/zinc/36/60/74/554366074.db2.gz GLTGXPRXIRYJIV-AREMUKBSSA-N 1 2 580.645 4.758 40 0 KJABLO COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]c4ccc(N5CCOCC5)cc4)cc23)cc1OC ZINC000100468118 554398160 /nfs/dbraw/zinc/39/81/60/554398160.db2.gz ULIIXVIPVJMBPF-UHFFFAOYSA-N 1 2 537.620 4.847 40 0 KJABLO O=c1c2c(nc3cc([C@@H]4CCC[NH+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000100493059 554403526 /nfs/dbraw/zinc/40/35/26/554403526.db2.gz PXDBXMRSFQXFHT-LJQANCHMSA-N 1 2 525.550 4.929 40 0 KJABLO O=c1c2c(nc3cc([C@@H]4CCC[NH+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000100493059 554403524 /nfs/dbraw/zinc/40/35/24/554403524.db2.gz PXDBXMRSFQXFHT-LJQANCHMSA-N 1 2 525.550 4.929 40 0 KJABLO O=c1c2c(nc3cc([C@@H]4CCC[N@H+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000100493059 554403522 /nfs/dbraw/zinc/40/35/22/554403522.db2.gz PXDBXMRSFQXFHT-LJQANCHMSA-N 1 2 525.550 4.929 40 0 KJABLO O=c1c2c(nc3cc([C@@H]4CCC[N@@H+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000100493059 554403520 /nfs/dbraw/zinc/40/35/20/554403520.db2.gz PXDBXMRSFQXFHT-LJQANCHMSA-N 1 2 525.550 4.929 40 0 KJABLO O=c1c2c(nc3cc([C@H]4CCC[NH+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000100493062 554403467 /nfs/dbraw/zinc/40/34/67/554403467.db2.gz PXDBXMRSFQXFHT-IBGZPJMESA-N 1 2 525.550 4.929 40 0 KJABLO O=c1c2c(nc3cc([C@H]4CCC[NH+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000100493062 554403466 /nfs/dbraw/zinc/40/34/66/554403466.db2.gz PXDBXMRSFQXFHT-IBGZPJMESA-N 1 2 525.550 4.929 40 0 KJABLO O=c1c2c(nc3cc([C@H]4CCC[N@H+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000100493062 554403464 /nfs/dbraw/zinc/40/34/64/554403464.db2.gz PXDBXMRSFQXFHT-IBGZPJMESA-N 1 2 525.550 4.929 40 0 KJABLO O=c1c2c(nc3cc([C@H]4CCC[N@@H+](Cc5ccc(F)c(F)c5)C4)[n-]n31)CC[NH+](Cc1ccc(F)c(F)c1)C2 ZINC000100493062 554403462 /nfs/dbraw/zinc/40/34/62/554403462.db2.gz PXDBXMRSFQXFHT-IBGZPJMESA-N 1 2 525.550 4.929 40 0 KJABLO Cc1ccc(S[C@]2(C[NH+]3CCOCC3)COc3c(Br)cc(Br)cc3[C@@H]2O)cc1 ZINC000100954832 554538883 /nfs/dbraw/zinc/53/88/83/554538883.db2.gz HSCDDZQBOFWQRM-LEWJYISDSA-N 1 2 529.294 4.809 40 0 KJABLO Cc1ccc(S[C@@]2(C[NH+]3CCOCC3)COc3c(Br)cc(Br)cc3[C@@H]2O)cc1 ZINC000100954833 554538925 /nfs/dbraw/zinc/53/89/25/554538925.db2.gz HSCDDZQBOFWQRM-SFTDATJTSA-N 1 2 529.294 4.809 40 0 KJABLO Cc1ccc(S[C@]2(C[NH+]3CCOCC3)COc3c(Br)cc(Br)cc3[C@H]2O)cc1 ZINC000100954837 554538989 /nfs/dbraw/zinc/53/89/89/554538989.db2.gz HSCDDZQBOFWQRM-NHCUHLMSSA-N 1 2 529.294 4.809 40 0 KJABLO Cc1ccc(S[C@@]2(C[NH+]3CCOCC3)COc3c(Br)cc(Br)cc3[C@H]2O)cc1 ZINC000100954840 554539007 /nfs/dbraw/zinc/53/90/07/554539007.db2.gz HSCDDZQBOFWQRM-RTWAWAEBSA-N 1 2 529.294 4.809 40 0 KJABLO Cc1c(Br)cc2c(c1Br)OC[C@@](C[NH+]1CCOCC1)(Sc1ccccc1)C2=O ZINC000100972298 554544281 /nfs/dbraw/zinc/54/42/81/554544281.db2.gz RULPNKKFKXDSDL-OAQYLSRUSA-N 1 2 527.278 4.958 40 0 KJABLO Cc1c(Br)cc2c(c1Br)OC[C@](C[NH+]1CCOCC1)(Sc1ccccc1)C2=O ZINC000100972299 554544464 /nfs/dbraw/zinc/54/44/64/554544464.db2.gz RULPNKKFKXDSDL-NRFANRHFSA-N 1 2 527.278 4.958 40 0 KJABLO Cc1cc(OC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)c(C)cc1C[NH+]1CCOCC1 ZINC000101055805 554569496 /nfs/dbraw/zinc/56/94/96/554569496.db2.gz WTTYCBKTWKCQHX-UHFFFAOYSA-N 1 2 551.231 4.986 40 0 KJABLO O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000101210214 554678974 /nfs/dbraw/zinc/67/89/74/554678974.db2.gz FBHQTRXWYFBQNO-DAXSKMNVSA-N 1 2 532.232 4.789 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274756 554702426 /nfs/dbraw/zinc/70/24/26/554702426.db2.gz ODIIDJFISNHRAN-OOWRYOQSSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274756 554702424 /nfs/dbraw/zinc/70/24/24/554702424.db2.gz ODIIDJFISNHRAN-OOWRYOQSSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274758 554702404 /nfs/dbraw/zinc/70/24/04/554702404.db2.gz ODIIDJFISNHRAN-YXUAIILISA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274758 554702402 /nfs/dbraw/zinc/70/24/02/554702402.db2.gz ODIIDJFISNHRAN-YXUAIILISA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274761 554702339 /nfs/dbraw/zinc/70/23/39/554702339.db2.gz ODIIDJFISNHRAN-FVDHQCDJSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274761 554702337 /nfs/dbraw/zinc/70/23/37/554702337.db2.gz ODIIDJFISNHRAN-FVDHQCDJSA-N 1 2 528.008 4.753 40 0 KJABLO CCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000101313016 554721427 /nfs/dbraw/zinc/72/14/27/554721427.db2.gz QKOFMTLJPLTORY-UHFFFAOYSA-N 1 2 553.128 4.897 40 0 KJABLO CCOC(=O)c1c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000101313016 554721426 /nfs/dbraw/zinc/72/14/26/554721426.db2.gz QKOFMTLJPLTORY-UHFFFAOYSA-N 1 2 553.128 4.897 40 0 KJABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589895 554802278 /nfs/dbraw/zinc/80/22/78/554802278.db2.gz INYHJVWLZRVBPT-GCZHVTBPSA-N 1 2 555.590 4.989 40 0 KJABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589895 554802276 /nfs/dbraw/zinc/80/22/76/554802276.db2.gz INYHJVWLZRVBPT-GCZHVTBPSA-N 1 2 555.590 4.989 40 0 KJABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101589900 554802298 /nfs/dbraw/zinc/80/22/98/554802298.db2.gz INYHJVWLZRVBPT-YCHSVXFSSA-N 1 2 555.590 4.989 40 0 KJABLO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101589900 554802296 /nfs/dbraw/zinc/80/22/96/554802296.db2.gz INYHJVWLZRVBPT-YCHSVXFSSA-N 1 2 555.590 4.989 40 0 KJABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101589903 554802234 /nfs/dbraw/zinc/80/22/34/554802234.db2.gz INYHJVWLZRVBPT-NIKYWZLZSA-N 1 2 555.590 4.989 40 0 KJABLO CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101589903 554802232 /nfs/dbraw/zinc/80/22/32/554802232.db2.gz INYHJVWLZRVBPT-NIKYWZLZSA-N 1 2 555.590 4.989 40 0 KJABLO CC[N@@H+](CCCNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NC4CCCC4)sc(=S)n3c2c1)c1ccccc1 ZINC000102742663 555032413 /nfs/dbraw/zinc/03/24/13/555032413.db2.gz JEXBPUUMFDPVKS-UHFFFAOYSA-N 1 2 549.722 4.891 40 0 KJABLO CC[N@H+](CCCNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NC4CCCC4)sc(=S)n3c2c1)c1ccccc1 ZINC000102742663 555032407 /nfs/dbraw/zinc/03/24/07/555032407.db2.gz JEXBPUUMFDPVKS-UHFFFAOYSA-N 1 2 549.722 4.891 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776627 555062867 /nfs/dbraw/zinc/06/28/67/555062867.db2.gz IQUHXFHRBYUFTH-VBVMOUJJSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776627 555062863 /nfs/dbraw/zinc/06/28/63/555062863.db2.gz IQUHXFHRBYUFTH-VBVMOUJJSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776630 555062903 /nfs/dbraw/zinc/06/29/03/555062903.db2.gz IQUHXFHRBYUFTH-UFVIZZQYSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776630 555062899 /nfs/dbraw/zinc/06/28/99/555062899.db2.gz IQUHXFHRBYUFTH-UFVIZZQYSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776632 555062964 /nfs/dbraw/zinc/06/29/64/555062964.db2.gz IQUHXFHRBYUFTH-MMWYEGISSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776632 555062960 /nfs/dbraw/zinc/06/29/60/555062960.db2.gz IQUHXFHRBYUFTH-MMWYEGISSA-N 1 2 528.008 4.753 40 0 KJABLO COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530983 555431194 /nfs/dbraw/zinc/43/11/94/555431194.db2.gz XEXABDNAKDLJKS-RGAOYJLTSA-N 1 2 558.034 4.680 40 0 KJABLO COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530983 555431192 /nfs/dbraw/zinc/43/11/92/555431192.db2.gz XEXABDNAKDLJKS-RGAOYJLTSA-N 1 2 558.034 4.680 40 0 KJABLO COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530987 555431119 /nfs/dbraw/zinc/43/11/19/555431119.db2.gz XEXABDNAKDLJKS-IBDHLNCTSA-N 1 2 558.034 4.680 40 0 KJABLO COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530987 555431117 /nfs/dbraw/zinc/43/11/17/555431117.db2.gz XEXABDNAKDLJKS-IBDHLNCTSA-N 1 2 558.034 4.680 40 0 KJABLO CC(=O)N1C=CN(c2ccc(OC[C@H]3CO[C@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000103550235 555443460 /nfs/dbraw/zinc/44/34/60/555443460.db2.gz GHVFISLXKPKRQU-OZXSUGGESA-N 1 2 529.424 4.677 40 0 in-vitro KJABLO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821959 571386476 /nfs/dbraw/zinc/38/64/76/571386476.db2.gz ODIIDJFISNHRAN-IORAELEFSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821959 571386474 /nfs/dbraw/zinc/38/64/74/571386474.db2.gz ODIIDJFISNHRAN-IORAELEFSA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821962 571386543 /nfs/dbraw/zinc/38/65/43/571386543.db2.gz ODIIDJFISNHRAN-WJDQBISISA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821962 571386542 /nfs/dbraw/zinc/38/65/42/571386542.db2.gz ODIIDJFISNHRAN-WJDQBISISA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821964 571386513 /nfs/dbraw/zinc/38/65/13/571386513.db2.gz ODIIDJFISNHRAN-MYUSXISISA-N 1 2 528.008 4.753 40 0 KJABLO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821964 571386511 /nfs/dbraw/zinc/38/65/11/571386511.db2.gz ODIIDJFISNHRAN-MYUSXISISA-N 1 2 528.008 4.753 40 0 KJABLO O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cc1)N1CCN(c2ccccn2)CC1 ZINC000104823257 571386650 /nfs/dbraw/zinc/38/66/50/571386650.db2.gz MYYKZLJIZUWNSS-UHFFFAOYSA-N 1 2 576.705 4.776 40 0 KJABLO O=c1c2ccccc2nc(-c2ccccc2)n1CCN1CC[NH+](CCn2c(=O)c3ccccc3nc2-c2ccccc2)CC1 ZINC000104849742 571386941 /nfs/dbraw/zinc/38/69/41/571386941.db2.gz ZBKDHURZFJMOGA-UHFFFAOYSA-N 1 2 582.708 4.758 40 0 KJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(OC)c(OC)c(OC)c4)cc3n2)cc1 ZINC000105025978 571389747 /nfs/dbraw/zinc/38/97/47/571389747.db2.gz OZAWCNYCDNFCSP-UHFFFAOYSA-N 1 2 548.669 4.728 40 0 KJABLO COC(=O)c1cc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(=O)OC)c1 ZINC000105294540 571392594 /nfs/dbraw/zinc/39/25/94/571392594.db2.gz ZOLLARKPPATDLG-UHFFFAOYSA-N 1 2 539.604 4.642 40 0 KJABLO COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000105294546 571392583 /nfs/dbraw/zinc/39/25/83/571392583.db2.gz AEWIOECRHGTGFH-UHFFFAOYSA-N 1 2 539.604 4.642 40 0 KJABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3n2)c(C)c1 ZINC000105314146 571398210 /nfs/dbraw/zinc/39/82/10/571398210.db2.gz VWCXWQVKVVRRSD-UHFFFAOYSA-N 1 2 530.654 4.782 40 0 KJABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C1=O)CC2 ZINC000105930401 571409430 /nfs/dbraw/zinc/40/94/30/571409430.db2.gz XOHBZWLCNYTEBR-QHCPKHFHSA-N 1 2 513.619 4.979 40 0 KJABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(-c4nc5ccc(C)cc5s4)cc3)C1=O)CC2 ZINC000105930401 571409429 /nfs/dbraw/zinc/40/94/29/571409429.db2.gz XOHBZWLCNYTEBR-QHCPKHFHSA-N 1 2 513.619 4.979 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000106577369 571413094 /nfs/dbraw/zinc/41/30/94/571413094.db2.gz MLQRKOMNYXFWDE-UHFFFAOYSA-N 1 2 576.502 4.570 40 0 KJABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000112253625 571436799 /nfs/dbraw/zinc/43/67/99/571436799.db2.gz OOYBTOXHBPIZFT-UHFFFAOYSA-N 1 2 584.138 4.529 40 0 KJABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000112256179 571437410 /nfs/dbraw/zinc/43/74/10/571437410.db2.gz OHTQMEHWQLCWNU-UHFFFAOYSA-N 1 2 547.721 4.663 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F)c1ccc(Cl)cc1Cl ZINC000113510913 571439455 /nfs/dbraw/zinc/43/94/55/571439455.db2.gz DEYQAZMDYOXIIZ-UHFFFAOYSA-N 1 2 522.429 4.891 40 0 KJABLO CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000139688839 571453476 /nfs/dbraw/zinc/45/34/76/571453476.db2.gz QFSSOFYVRBHUKN-UHFFFAOYSA-N 1 2 536.679 4.505 40 0 KJABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(I)cc(I)c1Br ZINC000150472503 571509945 /nfs/dbraw/zinc/50/99/45/571509945.db2.gz LTADULWAONNFMH-UHFFFAOYSA-N 1 2 627.058 4.743 40 0 KJABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(I)cc(I)c1Br ZINC000150474314 571510506 /nfs/dbraw/zinc/51/05/06/571510506.db2.gz NPIIQIVIOTXKAW-UHFFFAOYSA-N 1 2 686.151 4.617 40 0 KJABLO COc1ccccc1N1CC[NH+](CCN(C(=O)C2CCC(COS(=O)(=O)c3ccc(C)cc3)CC2)c2ccccn2)CC1 ZINC000200096453 1067214807 /nfs/dbraw/zinc/21/48/07/1067214807.db2.gz GHAWBFXGLGSLAB-UHFFFAOYSA-N 1 2 606.789 4.766 40 0 KJABLO O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CC[NH+](/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000211411439 571576149 /nfs/dbraw/zinc/57/61/49/571576149.db2.gz HIIHDHQGPVNGPB-RVPACIEWSA-N 1 2 588.755 4.575 40 0 KJABLO CC(=O)N1C=CN(c2ccc(OC[C@@H]3CO[C@@](Cn4cc[nH+]c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000212597359 571577032 /nfs/dbraw/zinc/57/70/32/571577032.db2.gz GHVFISLXKPKRQU-ZEQKJWHPSA-N 1 2 529.424 4.677 40 0 KJABLO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000215912222 571587352 /nfs/dbraw/zinc/58/73/52/571587352.db2.gz ZXTHKRDZLQAMCB-UHFFFAOYSA-N 1 2 569.481 4.545 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000215939825 571588648 /nfs/dbraw/zinc/58/86/48/571588648.db2.gz UNZRTWWVFGHCOQ-UHFFFAOYSA-N 1 2 528.556 4.711 40 0 KJABLO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000215955398 571589361 /nfs/dbraw/zinc/58/93/61/571589361.db2.gz RSQZGVDYKLVURY-UHFFFAOYSA-N 1 2 569.481 4.545 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000215959017 571589363 /nfs/dbraw/zinc/58/93/63/571589363.db2.gz NVZVPZACYWGGLX-UHFFFAOYSA-N 1 2 529.449 4.999 40 0 KJABLO Cc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000216311157 571594615 /nfs/dbraw/zinc/59/46/15/571594615.db2.gz BUCFSUXYXCLTBQ-UHFFFAOYSA-N 1 2 509.031 4.654 40 0 KJABLO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000216359911 571595252 /nfs/dbraw/zinc/59/52/52/571595252.db2.gz GLRFSRJIZGPCSW-UHFFFAOYSA-N 1 2 500.020 4.534 40 0 KJABLO CCN(c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000216428957 571596157 /nfs/dbraw/zinc/59/61/57/571596157.db2.gz FIWGEPWILQXQGU-UHFFFAOYSA-N 1 2 506.653 4.739 40 0 KJABLO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000216519800 571597389 /nfs/dbraw/zinc/59/73/89/571597389.db2.gz HDZPSJSUWHTVTL-UHFFFAOYSA-N 1 2 613.736 4.842 40 0 KJABLO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000216526535 571597678 /nfs/dbraw/zinc/59/76/78/571597678.db2.gz KGBUJMPVXRAFEK-UHFFFAOYSA-N 1 2 553.084 4.826 40 0 KJABLO Cc1cccc(C)c1N(Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000222604209 571375782 /nfs/dbraw/zinc/37/57/82/571375782.db2.gz CKWVRAUAULJFTM-MDWZMJQESA-N 1 2 517.695 4.741 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223090602 571430068 /nfs/dbraw/zinc/43/00/68/571430068.db2.gz YWMBNOVIDCBMGY-UMSFTDKQSA-N 1 2 709.240 4.747 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223090662 571430088 /nfs/dbraw/zinc/43/00/88/571430088.db2.gz YWMBNOVIDCBMGY-UUWRZZSWSA-N 1 2 709.240 4.747 40 0 KJABLO Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223128283 571434491 /nfs/dbraw/zinc/43/44/91/571434491.db2.gz JEUOARSSUVOJJP-CLJLJLNGSA-N 1 2 510.107 4.756 40 0 KJABLO Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223128351 571434438 /nfs/dbraw/zinc/43/44/38/571434438.db2.gz JEUOARSSUVOJJP-FTJBHMTQSA-N 1 2 510.107 4.756 40 0 KJABLO Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223128406 571434472 /nfs/dbraw/zinc/43/44/72/571434472.db2.gz JEUOARSSUVOJJP-IZZNHLLZSA-N 1 2 510.107 4.756 40 0 KJABLO Cc1c(C)n(-c2cccc(Cl)c2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC[NH+]1CCOCC1 ZINC000223128460 571434399 /nfs/dbraw/zinc/43/43/99/571434399.db2.gz JEUOARSSUVOJJP-UIOOFZCWSA-N 1 2 510.107 4.756 40 0 KJABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223144945 571436032 /nfs/dbraw/zinc/43/60/32/571436032.db2.gz ULZNXCLTSROBFX-NDEPHWFRSA-N 1 2 554.518 4.624 40 0 KJABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223145000 571436058 /nfs/dbraw/zinc/43/60/58/571436058.db2.gz ULZNXCLTSROBFX-MUUNZHRXSA-N 1 2 554.518 4.624 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1CC[NH+]1CCOCC1 ZINC000223156239 571437756 /nfs/dbraw/zinc/43/77/56/571437756.db2.gz ZBKDYYYSBHWVJB-XZOQPEGZSA-N 1 2 501.077 4.784 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1CC[NH+]1CCOCC1 ZINC000223156294 571437769 /nfs/dbraw/zinc/43/77/69/571437769.db2.gz ZBKDYYYSBHWVJB-DHIUTWEWSA-N 1 2 501.077 4.784 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1CC[NH+]1CCOCC1 ZINC000223156360 571437754 /nfs/dbraw/zinc/43/77/54/571437754.db2.gz ZBKDYYYSBHWVJB-GOTSBHOMSA-N 1 2 501.077 4.784 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccc(Cl)cc3)o2)N1CC[NH+]1CCOCC1 ZINC000223156417 571437750 /nfs/dbraw/zinc/43/77/50/571437750.db2.gz ZBKDYYYSBHWVJB-PKTZIBPZSA-N 1 2 501.077 4.784 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CC[NH+]1CCOCC1 ZINC000223158762 571438198 /nfs/dbraw/zinc/43/81/98/571438198.db2.gz MKQJVBXUXOFDIL-XZOQPEGZSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CC[NH+]1CCOCC1 ZINC000223158806 571438210 /nfs/dbraw/zinc/43/82/10/571438210.db2.gz MKQJVBXUXOFDIL-DHIUTWEWSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CC[NH+]1CCOCC1 ZINC000223158863 571438229 /nfs/dbraw/zinc/43/82/29/571438229.db2.gz MKQJVBXUXOFDIL-GOTSBHOMSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)N1CC[NH+]1CCOCC1 ZINC000223158915 571438156 /nfs/dbraw/zinc/43/81/56/571438156.db2.gz MKQJVBXUXOFDIL-PKTZIBPZSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CC[NH+]1CCOCC1 ZINC000223159003 571438148 /nfs/dbraw/zinc/43/81/48/571438148.db2.gz ZVQKPJOMJJGYNF-XZOQPEGZSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CC[NH+]1CCOCC1 ZINC000223159052 571438226 /nfs/dbraw/zinc/43/82/26/571438226.db2.gz ZVQKPJOMJJGYNF-DHIUTWEWSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CC[NH+]1CCOCC1 ZINC000223159108 571438319 /nfs/dbraw/zinc/43/83/19/571438319.db2.gz ZVQKPJOMJJGYNF-GOTSBHOMSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N1CC[NH+]1CCOCC1 ZINC000223159159 571438293 /nfs/dbraw/zinc/43/82/93/571438293.db2.gz ZVQKPJOMJJGYNF-PKTZIBPZSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CC[NH+]1CCOCC1 ZINC000223159236 571438329 /nfs/dbraw/zinc/43/83/29/571438329.db2.gz KZCIKSAGOIZWBI-XZOQPEGZSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CC[NH+]1CCOCC1 ZINC000223159289 571438268 /nfs/dbraw/zinc/43/82/68/571438268.db2.gz KZCIKSAGOIZWBI-DHIUTWEWSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CC[NH+]1CCOCC1 ZINC000223159334 571438299 /nfs/dbraw/zinc/43/82/99/571438299.db2.gz KZCIKSAGOIZWBI-GOTSBHOMSA-N 1 2 503.455 4.953 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1CC[NH+]1CCOCC1 ZINC000223159393 571438343 /nfs/dbraw/zinc/43/83/43/571438343.db2.gz KZCIKSAGOIZWBI-PKTZIBPZSA-N 1 2 503.455 4.953 40 0 KJABLO Fc1cc(Br)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223160030 571438397 /nfs/dbraw/zinc/43/83/97/571438397.db2.gz PFHAZIDOGGDKHO-DHIUTWEWSA-N 1 2 531.451 4.548 40 0 KJABLO Fc1cc(Br)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223160080 571438436 /nfs/dbraw/zinc/43/84/36/571438436.db2.gz PFHAZIDOGGDKHO-PKTZIBPZSA-N 1 2 531.451 4.548 40 0 KJABLO Fc1cc(Br)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223160144 571438488 /nfs/dbraw/zinc/43/84/88/571438488.db2.gz PFHAZIDOGGDKHO-XZOQPEGZSA-N 1 2 531.451 4.548 40 0 KJABLO Fc1cc(Br)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)o1 ZINC000223160213 571438482 /nfs/dbraw/zinc/43/84/82/571438482.db2.gz PFHAZIDOGGDKHO-GOTSBHOMSA-N 1 2 531.451 4.548 40 0 KJABLO Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223160301 571438508 /nfs/dbraw/zinc/43/85/08/571438508.db2.gz VBUXNHOKDDHEKD-DNQXCXABSA-N 1 2 527.488 4.717 40 0 KJABLO Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223160352 571438554 /nfs/dbraw/zinc/43/85/54/571438554.db2.gz VBUXNHOKDDHEKD-RPWUZVMVSA-N 1 2 527.488 4.717 40 0 KJABLO Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223160416 571438511 /nfs/dbraw/zinc/43/85/11/571438511.db2.gz VBUXNHOKDDHEKD-BJKOFHAPSA-N 1 2 527.488 4.717 40 0 KJABLO Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223160477 571438524 /nfs/dbraw/zinc/43/85/24/571438524.db2.gz VBUXNHOKDDHEKD-ZEQRLZLVSA-N 1 2 527.488 4.717 40 0 KJABLO Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223160571 571438567 /nfs/dbraw/zinc/43/85/67/571438567.db2.gz SBPJYUKHBYVEMA-DHIUTWEWSA-N 1 2 531.451 4.548 40 0 KJABLO Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223160639 571438647 /nfs/dbraw/zinc/43/86/47/571438647.db2.gz SBPJYUKHBYVEMA-PKTZIBPZSA-N 1 2 531.451 4.548 40 0 KJABLO Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223160688 571438666 /nfs/dbraw/zinc/43/86/66/571438666.db2.gz SBPJYUKHBYVEMA-XZOQPEGZSA-N 1 2 531.451 4.548 40 0 KJABLO Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223160738 571438616 /nfs/dbraw/zinc/43/86/16/571438616.db2.gz SBPJYUKHBYVEMA-GOTSBHOMSA-N 1 2 531.451 4.548 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CCC[NH+]1CCOCC1 ZINC000223175588 571441093 /nfs/dbraw/zinc/44/10/93/571441093.db2.gz ALDIJGCZZLVBEA-BJKOFHAPSA-N 1 2 516.498 4.874 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CCC[NH+]1CCOCC1 ZINC000223175650 571441082 /nfs/dbraw/zinc/44/10/82/571441082.db2.gz ALDIJGCZZLVBEA-DNQXCXABSA-N 1 2 516.498 4.874 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CCC[NH+]1CCOCC1 ZINC000223175725 571441070 /nfs/dbraw/zinc/44/10/70/571441070.db2.gz ALDIJGCZZLVBEA-ZEQRLZLVSA-N 1 2 516.498 4.874 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CCC[NH+]1CCOCC1 ZINC000223175780 571441065 /nfs/dbraw/zinc/44/10/65/571441065.db2.gz ALDIJGCZZLVBEA-RPWUZVMVSA-N 1 2 516.498 4.874 40 0 KJABLO FC(F)(F)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223194248 571443379 /nfs/dbraw/zinc/44/33/79/571443379.db2.gz OXWNUDYTABGDKG-DNQXCXABSA-N 1 2 515.605 4.586 40 0 KJABLO FC(F)(F)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223194297 571443432 /nfs/dbraw/zinc/44/34/32/571443432.db2.gz OXWNUDYTABGDKG-RPWUZVMVSA-N 1 2 515.605 4.586 40 0 KJABLO FC(F)(F)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223194356 571443412 /nfs/dbraw/zinc/44/34/12/571443412.db2.gz OXWNUDYTABGDKG-BJKOFHAPSA-N 1 2 515.605 4.586 40 0 KJABLO FC(F)(F)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223194407 571443386 /nfs/dbraw/zinc/44/33/86/571443386.db2.gz OXWNUDYTABGDKG-ZEQRLZLVSA-N 1 2 515.605 4.586 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223200110 571443955 /nfs/dbraw/zinc/44/39/55/571443955.db2.gz SNKSRAXJGRSNDL-BJKOFHAPSA-N 1 2 527.488 4.799 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223200169 571443931 /nfs/dbraw/zinc/44/39/31/571443931.db2.gz SNKSRAXJGRSNDL-DNQXCXABSA-N 1 2 527.488 4.799 40 0 KJABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223200221 571443948 /nfs/dbraw/zinc/44/39/48/571443948.db2.gz SNKSRAXJGRSNDL-ZEQRLZLVSA-N 1 2 527.488 4.799 40 0 KJABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1CCC[NH+]1CCOCC1 ZINC000223200276 571443995 /nfs/dbraw/zinc/44/39/95/571443995.db2.gz SNKSRAXJGRSNDL-RPWUZVMVSA-N 1 2 527.488 4.799 40 0 KJABLO Fc1cc(Br)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223202891 571444371 /nfs/dbraw/zinc/44/43/71/571444371.db2.gz UMGODAWQZRPDQW-DNQXCXABSA-N 1 2 545.478 4.938 40 0 KJABLO Fc1cc(Br)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223202945 571444384 /nfs/dbraw/zinc/44/43/84/571444384.db2.gz UMGODAWQZRPDQW-RPWUZVMVSA-N 1 2 545.478 4.938 40 0 KJABLO Fc1cc(Br)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223203000 571444334 /nfs/dbraw/zinc/44/43/34/571444334.db2.gz UMGODAWQZRPDQW-BJKOFHAPSA-N 1 2 545.478 4.938 40 0 KJABLO Fc1cc(Br)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223203059 571444363 /nfs/dbraw/zinc/44/43/63/571444363.db2.gz UMGODAWQZRPDQW-ZEQRLZLVSA-N 1 2 545.478 4.938 40 0 KJABLO Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223203420 571444438 /nfs/dbraw/zinc/44/44/38/571444438.db2.gz QMWZXDZBQCCEDY-DNQXCXABSA-N 1 2 545.478 4.938 40 0 KJABLO Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223203475 571444516 /nfs/dbraw/zinc/44/45/16/571444516.db2.gz QMWZXDZBQCCEDY-RPWUZVMVSA-N 1 2 545.478 4.938 40 0 KJABLO Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223203534 571444495 /nfs/dbraw/zinc/44/44/95/571444495.db2.gz QMWZXDZBQCCEDY-BJKOFHAPSA-N 1 2 545.478 4.938 40 0 KJABLO Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c(Br)c1 ZINC000223203604 571444512 /nfs/dbraw/zinc/44/45/12/571444512.db2.gz QMWZXDZBQCCEDY-ZEQRLZLVSA-N 1 2 545.478 4.938 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223380392 571468406 /nfs/dbraw/zinc/46/84/06/571468406.db2.gz SCQSSEXXFPXKGJ-UUWRZZSWSA-N 1 2 695.213 4.877 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223380441 571468430 /nfs/dbraw/zinc/46/84/30/571468430.db2.gz SCQSSEXXFPXKGJ-UMSFTDKQSA-N 1 2 695.213 4.877 40 0 KJABLO O=C(COc1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223391771 571470409 /nfs/dbraw/zinc/47/04/09/571470409.db2.gz GSWSCXSYINTRSF-MUUNZHRXSA-N 1 2 556.490 4.591 40 0 KJABLO O=C(COc1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223391835 571470380 /nfs/dbraw/zinc/47/03/80/571470380.db2.gz GSWSCXSYINTRSF-NDEPHWFRSA-N 1 2 556.490 4.591 40 0 KJABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223432797 571475707 /nfs/dbraw/zinc/47/57/07/571475707.db2.gz OVPHTOBXARXIAL-MUUNZHRXSA-N 1 2 540.491 4.754 40 0 KJABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223432854 571475842 /nfs/dbraw/zinc/47/58/42/571475842.db2.gz OVPHTOBXARXIAL-NDEPHWFRSA-N 1 2 540.491 4.754 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223943106 571580403 /nfs/dbraw/zinc/58/04/03/571580403.db2.gz OASNFCNUOHTRMD-FQLXRVMXSA-N 1 2 524.694 4.952 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223943163 571580367 /nfs/dbraw/zinc/58/03/67/571580367.db2.gz OASNFCNUOHTRMD-WDYNHAJCSA-N 1 2 524.694 4.952 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223943222 571580304 /nfs/dbraw/zinc/58/03/04/571580304.db2.gz OASNFCNUOHTRMD-URLMMPGGSA-N 1 2 524.694 4.952 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)cc1 ZINC000223943278 571580399 /nfs/dbraw/zinc/58/03/99/571580399.db2.gz OASNFCNUOHTRMD-VMPREFPWSA-N 1 2 524.694 4.952 40 0 KJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224209755 571497450 /nfs/dbraw/zinc/49/74/50/571497450.db2.gz MLRJERHBRDDRAZ-UHFFFAOYSA-N 1 2 509.002 4.923 40 0 KJABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cc(C)cc(C)c1C ZINC000224281895 571512788 /nfs/dbraw/zinc/51/27/88/571512788.db2.gz VQGGXZKIJDQBTK-UHFFFAOYSA-N 1 2 502.611 4.886 40 0 KJABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cc(C)cc(C)c1 ZINC000224536641 571569124 /nfs/dbraw/zinc/56/91/24/571569124.db2.gz HQJPVXNWTLQJEZ-UHFFFAOYSA-N 1 2 502.611 4.968 40 0 KJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2Cl)c1C ZINC000224557968 571573984 /nfs/dbraw/zinc/57/39/84/571573984.db2.gz VPKSRKGJXYDVTG-UHFFFAOYSA-N 1 2 528.074 4.520 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2Cl)c(C)c1 ZINC000224558042 571574003 /nfs/dbraw/zinc/57/40/03/571574003.db2.gz CUVLQNMYCVFMJR-UHFFFAOYSA-N 1 2 528.074 4.520 40 0 KJABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2Cl)c1 ZINC000224558110 571574154 /nfs/dbraw/zinc/57/41/54/571574154.db2.gz HCWSFYNARIDFJC-UHFFFAOYSA-N 1 2 528.074 4.520 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2Cl)cc1C ZINC000224558176 571574145 /nfs/dbraw/zinc/57/41/45/571574145.db2.gz PFFRAADVGSTBHQ-UHFFFAOYSA-N 1 2 528.074 4.520 40 0 KJABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(C)c(C)c1 ZINC000224625049 571589483 /nfs/dbraw/zinc/58/94/83/571589483.db2.gz YDKNUQOGLWLIAO-UHFFFAOYSA-N 1 2 502.611 4.968 40 0 KJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2Cl)c1C ZINC000224723728 571610955 /nfs/dbraw/zinc/61/09/55/571610955.db2.gz AXSWISGUHHFHNH-UHFFFAOYSA-N 1 2 528.074 4.520 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2Cl)c(C)c1 ZINC000224723789 571610970 /nfs/dbraw/zinc/61/09/70/571610970.db2.gz HZOGFAMFMNGJAI-UHFFFAOYSA-N 1 2 528.074 4.520 40 0 KJABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2Cl)c1 ZINC000224723855 571610943 /nfs/dbraw/zinc/61/09/43/571610943.db2.gz INXKJTXDXVWAOU-UHFFFAOYSA-N 1 2 528.074 4.520 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2Cl)cc1C ZINC000224723921 571610950 /nfs/dbraw/zinc/61/09/50/571610950.db2.gz WBDZQJTZRZHOPD-UHFFFAOYSA-N 1 2 528.074 4.520 40 0 KJABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224797208 571618055 /nfs/dbraw/zinc/61/80/55/571618055.db2.gz DQMDNSWATGBAQL-RMKNXTFCSA-N 1 2 554.112 4.641 40 0 KJABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224808067 571619042 /nfs/dbraw/zinc/61/90/42/571619042.db2.gz WZRQPGSEJJKVCN-JXMROGBWSA-N 1 2 551.684 4.662 40 0 KJABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224829497 571621197 /nfs/dbraw/zinc/62/11/97/571621197.db2.gz DVYGFERWRGPNNY-DHZHZOJOSA-N 1 2 547.721 4.686 40 0 KJABLO COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)c(OC)c1 ZINC000224936851 571631750 /nfs/dbraw/zinc/63/17/50/571631750.db2.gz LHVHYJWRLBTGPA-UHFFFAOYSA-N 1 2 527.577 4.713 40 0 KJABLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225221670 571659485 /nfs/dbraw/zinc/65/94/85/571659485.db2.gz GBHVMNSSGCGBCW-NSOVKSMOSA-N 1 2 526.666 4.700 40 0 KJABLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225221707 571659460 /nfs/dbraw/zinc/65/94/60/571659460.db2.gz GBHVMNSSGCGBCW-IZLXSDGUSA-N 1 2 526.666 4.700 40 0 KJABLO COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225221743 571659491 /nfs/dbraw/zinc/65/94/91/571659491.db2.gz GBHVMNSSGCGBCW-WUFINQPMSA-N 1 2 526.666 4.700 40 0 KJABLO COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225221777 571659519 /nfs/dbraw/zinc/65/95/19/571659519.db2.gz GBHVMNSSGCGBCW-VSGBNLITSA-N 1 2 526.666 4.700 40 0 KJABLO COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1OC ZINC000225301902 571668733 /nfs/dbraw/zinc/66/87/33/571668733.db2.gz HBWFNCILBFKMCV-VMPREFPWSA-N 1 2 556.692 4.709 40 0 KJABLO COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1OC ZINC000225301937 571668740 /nfs/dbraw/zinc/66/87/40/571668740.db2.gz HBWFNCILBFKMCV-WDYNHAJCSA-N 1 2 556.692 4.709 40 0 KJABLO COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1OC ZINC000225301964 571668779 /nfs/dbraw/zinc/66/87/79/571668779.db2.gz HBWFNCILBFKMCV-URLMMPGGSA-N 1 2 556.692 4.709 40 0 KJABLO COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1OC ZINC000225302008 571668760 /nfs/dbraw/zinc/66/87/60/571668760.db2.gz HBWFNCILBFKMCV-FQLXRVMXSA-N 1 2 556.692 4.709 40 0 KJABLO Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NS(C)(=O)=O ZINC000225460249 571832221 /nfs/dbraw/zinc/83/22/21/571832221.db2.gz PVJVXDUHLWVDCX-SVBPBHIXSA-N 1 2 546.722 4.795 40 0 KJABLO Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NS(C)(=O)=O ZINC000225460280 571832243 /nfs/dbraw/zinc/83/22/43/571832243.db2.gz PVJVXDUHLWVDCX-SXOMAYOGSA-N 1 2 546.722 4.795 40 0 KJABLO Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NS(C)(=O)=O ZINC000225460316 571832161 /nfs/dbraw/zinc/83/21/61/571832161.db2.gz PVJVXDUHLWVDCX-RRPNLBNLSA-N 1 2 546.722 4.795 40 0 KJABLO Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NS(C)(=O)=O ZINC000225460354 571832182 /nfs/dbraw/zinc/83/21/82/571832182.db2.gz PVJVXDUHLWVDCX-KAYWLYCHSA-N 1 2 546.722 4.795 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225533063 571899374 /nfs/dbraw/zinc/89/93/74/571899374.db2.gz GWTIBRQKPYOZKN-VSGBNLITSA-N 1 2 510.667 4.940 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225533092 571899422 /nfs/dbraw/zinc/89/94/22/571899422.db2.gz GWTIBRQKPYOZKN-IZLXSDGUSA-N 1 2 510.667 4.940 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225533120 571899185 /nfs/dbraw/zinc/89/91/85/571899185.db2.gz GWTIBRQKPYOZKN-WUFINQPMSA-N 1 2 510.667 4.940 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)cc1 ZINC000225533151 571899409 /nfs/dbraw/zinc/89/94/09/571899409.db2.gz GWTIBRQKPYOZKN-NSOVKSMOSA-N 1 2 510.667 4.940 40 0 KJABLO COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225671660 572012764 /nfs/dbraw/zinc/01/27/64/572012764.db2.gz FZQJTWFHMRJHDN-VMPREFPWSA-N 1 2 540.693 4.948 40 0 KJABLO COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225671688 572012876 /nfs/dbraw/zinc/01/28/76/572012876.db2.gz FZQJTWFHMRJHDN-WDYNHAJCSA-N 1 2 540.693 4.948 40 0 KJABLO COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225671716 572012873 /nfs/dbraw/zinc/01/28/73/572012873.db2.gz FZQJTWFHMRJHDN-URLMMPGGSA-N 1 2 540.693 4.948 40 0 KJABLO COc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000225671748 572012853 /nfs/dbraw/zinc/01/28/53/572012853.db2.gz FZQJTWFHMRJHDN-FQLXRVMXSA-N 1 2 540.693 4.948 40 0 KJABLO CC(C)n1c2ccc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2sc1=O ZINC000225708432 572038536 /nfs/dbraw/zinc/03/85/36/572038536.db2.gz KHKSWHJUNWIFSM-UHFFFAOYSA-N 1 2 507.681 4.740 40 0 KJABLO CCCn1c2ccc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2sc1=O ZINC000225726139 572049251 /nfs/dbraw/zinc/04/92/51/572049251.db2.gz IOIXZBISRICWFQ-UHFFFAOYSA-N 1 2 507.681 4.569 40 0 KJABLO O=C(Cn1ccc(=O)c2cc(Br)ccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225730152 572051441 /nfs/dbraw/zinc/05/14/41/572051441.db2.gz DEHNKRXJCNMFTN-UHFFFAOYSA-N 1 2 516.439 4.698 40 0 KJABLO O=C(Cn1ccc(=O)c2ccc(Br)cc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225741308 572057131 /nfs/dbraw/zinc/05/71/31/572057131.db2.gz MXFIDYMFIZIBME-UHFFFAOYSA-N 1 2 516.439 4.698 40 0 KJABLO Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)S(C)(=O)=O)c1 ZINC000225744197 572058339 /nfs/dbraw/zinc/05/83/39/572058339.db2.gz GGDKWUVXAZNXHA-JXMROGBWSA-N 1 2 517.695 4.741 40 0 KJABLO CN(c1ccc2sc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1)S(C)(=O)=O ZINC000225852175 572077198 /nfs/dbraw/zinc/07/71/98/572077198.db2.gz BAQQLAWQYZMWDZ-UHFFFAOYSA-N 1 2 519.692 4.845 40 0 KJABLO CCOc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000231430012 572186974 /nfs/dbraw/zinc/18/69/74/572186974.db2.gz IVIZDQPOVZWQAT-UHFFFAOYSA-N 1 2 515.473 4.944 40 0 KJABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000253399059 572284703 /nfs/dbraw/zinc/28/47/03/572284703.db2.gz ICHKGMDCEJALFE-YQOCYVMFSA-N 1 2 623.672 4.506 40 0 KJABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000253399059 572284702 /nfs/dbraw/zinc/28/47/02/572284702.db2.gz ICHKGMDCEJALFE-YQOCYVMFSA-N 1 2 623.672 4.506 40 0 KJABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253407378 572286651 /nfs/dbraw/zinc/28/66/51/572286651.db2.gz WFHBUSOKHSDIKK-OLAVNICZSA-N 1 2 675.553 4.715 40 0 KJABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccc(Cl)c(Cl)c2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253407378 572286650 /nfs/dbraw/zinc/28/66/50/572286650.db2.gz WFHBUSOKHSDIKK-OLAVNICZSA-N 1 2 675.553 4.715 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500306 572294100 /nfs/dbraw/zinc/29/41/00/572294100.db2.gz BGAYMDHOALSRMW-VPUSJEBWSA-N 1 2 500.647 4.919 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500306 572294098 /nfs/dbraw/zinc/29/40/98/572294098.db2.gz BGAYMDHOALSRMW-VPUSJEBWSA-N 1 2 500.647 4.919 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500307 572294183 /nfs/dbraw/zinc/29/41/83/572294183.db2.gz BGAYMDHOALSRMW-XNMGPUDCSA-N 1 2 500.647 4.919 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500307 572294180 /nfs/dbraw/zinc/29/41/80/572294180.db2.gz BGAYMDHOALSRMW-XNMGPUDCSA-N 1 2 500.647 4.919 40 0 KJABLO COc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C[C@H]2CCCO2)C(C)C)cc1 ZINC000253500308 572294322 /nfs/dbraw/zinc/29/43/22/572294322.db2.gz BGRGKEALAHTUKD-VPUSJEBWSA-N 1 2 516.646 4.822 40 0 KJABLO COc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C[C@H]2CCCO2)C(C)C)cc1 ZINC000253500308 572294320 /nfs/dbraw/zinc/29/43/20/572294320.db2.gz BGRGKEALAHTUKD-VPUSJEBWSA-N 1 2 516.646 4.822 40 0 KJABLO COc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C[C@H]2CCCO2)C(C)C)cc1 ZINC000253500309 572294334 /nfs/dbraw/zinc/29/43/34/572294334.db2.gz BGRGKEALAHTUKD-XNMGPUDCSA-N 1 2 516.646 4.822 40 0 KJABLO COc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C[C@H]2CCCO2)C(C)C)cc1 ZINC000253500309 572294333 /nfs/dbraw/zinc/29/43/33/572294333.db2.gz BGRGKEALAHTUKD-XNMGPUDCSA-N 1 2 516.646 4.822 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500312 572294344 /nfs/dbraw/zinc/29/43/44/572294344.db2.gz BJAVAVWVRKHJQL-JWQCQUIFSA-N 1 2 504.610 4.863 40 0 KJABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500312 572294343 /nfs/dbraw/zinc/29/43/43/572294343.db2.gz BJAVAVWVRKHJQL-JWQCQUIFSA-N 1 2 504.610 4.863 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500313 572294298 /nfs/dbraw/zinc/29/42/98/572294298.db2.gz BJAVAVWVRKHJQL-RPBOFIJWSA-N 1 2 504.610 4.863 40 0 KJABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500313 572294297 /nfs/dbraw/zinc/29/42/97/572294297.db2.gz BJAVAVWVRKHJQL-RPBOFIJWSA-N 1 2 504.610 4.863 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500339 572294362 /nfs/dbraw/zinc/29/43/62/572294362.db2.gz DHYHCTKFJQNOFM-CLJLJLNGSA-N 1 2 500.647 4.919 40 0 KJABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500339 572294361 /nfs/dbraw/zinc/29/43/61/572294361.db2.gz DHYHCTKFJQNOFM-CLJLJLNGSA-N 1 2 500.647 4.919 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500340 572294227 /nfs/dbraw/zinc/29/42/27/572294227.db2.gz DHYHCTKFJQNOFM-FTJBHMTQSA-N 1 2 500.647 4.919 40 0 KJABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500340 572294225 /nfs/dbraw/zinc/29/42/25/572294225.db2.gz DHYHCTKFJQNOFM-FTJBHMTQSA-N 1 2 500.647 4.919 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500341 572294239 /nfs/dbraw/zinc/29/42/39/572294239.db2.gz DLWSMLQDQQJQLJ-FYYLOGMGSA-N 1 2 510.639 4.582 40 0 KJABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500341 572294237 /nfs/dbraw/zinc/29/42/37/572294237.db2.gz DLWSMLQDQQJQLJ-FYYLOGMGSA-N 1 2 510.639 4.582 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500342 572294295 /nfs/dbraw/zinc/29/42/95/572294295.db2.gz DLWSMLQDQQJQLJ-GGAORHGYSA-N 1 2 510.639 4.582 40 0 KJABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500342 572294293 /nfs/dbraw/zinc/29/42/93/572294293.db2.gz DLWSMLQDQQJQLJ-GGAORHGYSA-N 1 2 510.639 4.582 40 0 KJABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000253500345 572294232 /nfs/dbraw/zinc/29/42/32/572294232.db2.gz DXFTYWBZYWTBCU-XNMGPUDCSA-N 1 2 516.646 4.701 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/nfs/dbraw/zinc/30/86/02/572308602.db2.gz DWOJZYCVGQZEAY-GDLZYMKVSA-N 1 2 587.786 4.979 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4cc(C)ccc4F)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257229519 572309026 /nfs/dbraw/zinc/30/90/26/572309026.db2.gz FYJVPKGMRCJHFA-AREMUKBSSA-N 1 2 565.711 4.548 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4nc5ccc(F)cc5s4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257230256 572309148 /nfs/dbraw/zinc/30/91/48/572309148.db2.gz GBLZYKCPMNAHSG-RUZDIDTESA-N 1 2 608.761 4.849 40 0 KJABLO CC(=O)Nc1ccc2nc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3cccc(F)c3)C4)sc2c1 ZINC000257230356 572309243 /nfs/dbraw/zinc/30/92/43/572309243.db2.gz GBYCGHOTLNLBGJ-UHFFFAOYSA-N 1 2 587.743 4.678 40 0 KJABLO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)CO2)C1 ZINC000257232019 572309508 /nfs/dbraw/zinc/30/95/08/572309508.db2.gz GJAWTGJITNASPC-GMCHKSTQSA-N 1 2 561.748 4.663 40 0 KJABLO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)CO2)C1 ZINC000257232019 572309507 /nfs/dbraw/zinc/30/95/07/572309507.db2.gz GJAWTGJITNASPC-GMCHKSTQSA-N 1 2 561.748 4.663 40 0 KJABLO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)CO2)C1 ZINC000257232020 572309420 /nfs/dbraw/zinc/30/94/20/572309420.db2.gz GJAWTGJITNASPC-IUDBTDONSA-N 1 2 561.748 4.663 40 0 KJABLO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)CO2)C1 ZINC000257232020 572309418 /nfs/dbraw/zinc/30/94/18/572309418.db2.gz GJAWTGJITNASPC-IUDBTDONSA-N 1 2 561.748 4.663 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@@H+](CC(=O)Nc4ccccc4C(F)(F)F)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257232810 572309414 /nfs/dbraw/zinc/30/94/14/572309414.db2.gz GMNDBCJGTTZQKP-OUTSHDOLSA-N 1 2 587.664 4.729 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@H+](CC(=O)Nc4ccccc4C(F)(F)F)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257232810 572309412 /nfs/dbraw/zinc/30/94/12/572309412.db2.gz GMNDBCJGTTZQKP-OUTSHDOLSA-N 1 2 587.664 4.729 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1nc3ccc(Cl)cc3s1)CC2 ZINC000257232905 572309434 /nfs/dbraw/zinc/30/94/34/572309434.db2.gz GMYGKCMYXLNGMT-UHFFFAOYSA-N 1 2 547.146 4.985 40 0 KJABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CN(S(=O)(=O)c3cccc(Cl)c3)C(C)(C)C2)CC1 ZINC000257233443 572309498 /nfs/dbraw/zinc/30/94/98/572309498.db2.gz GPHBQYMTLIQDBK-UHFFFAOYSA-N 1 2 504.096 4.851 40 0 KJABLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)Cc5ccccc5)C(C)(C)C4)CC3)n2)cc1 ZINC000257233691 572309588 /nfs/dbraw/zinc/30/95/88/572309588.db2.gz GQFZMLFIWBTDIJ-UHFFFAOYSA-N 1 2 568.765 4.854 40 0 KJABLO CC(=O)Nc1ccc2nc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)c5cccc(Cl)c5)C(C)(C)C4)CC3)sc2c1 ZINC000257234619 572309679 /nfs/dbraw/zinc/30/96/79/572309679.db2.gz GUKCYCRYFULSCT-UHFFFAOYSA-N 1 2 590.171 4.802 40 0 KJABLO CCc1ccccc1NC(=O)C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(C)cc1)[C@H](Cc1ccccc1)CO2 ZINC000257236884 572309854 /nfs/dbraw/zinc/30/98/54/572309854.db2.gz HEEJQORAHVAIFH-MUUNZHRXSA-N 1 2 561.748 4.663 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257237838 572309974 /nfs/dbraw/zinc/30/99/74/572309974.db2.gz HIKMZNKIQHWLST-DHIFEGFHSA-N 1 2 565.711 4.548 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257237838 572309973 /nfs/dbraw/zinc/30/99/73/572309973.db2.gz HIKMZNKIQHWLST-DHIFEGFHSA-N 1 2 565.711 4.548 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257237839 572309941 /nfs/dbraw/zinc/30/99/41/572309941.db2.gz HIKMZNKIQHWLST-JTSJOTPCSA-N 1 2 565.711 4.548 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257237839 572309939 /nfs/dbraw/zinc/30/99/39/572309939.db2.gz HIKMZNKIQHWLST-JTSJOTPCSA-N 1 2 565.711 4.548 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1cccc(C(F)(F)F)c1)CC2 ZINC000257238513 572309969 /nfs/dbraw/zinc/30/99/69/572309969.db2.gz HLJGSEXREOBHHN-UHFFFAOYSA-N 1 2 523.621 4.740 40 0 KJABLO Cc1c(F)cccc1NC(=O)C[NH+]1CCC2(CC1)CCC(C)(C)N(S(=O)(=O)c1cccc(F)c1)C2 ZINC000257238589 572310015 /nfs/dbraw/zinc/31/00/15/572310015.db2.gz HLRWIUIZBYSVGA-UHFFFAOYSA-N 1 2 505.631 4.557 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccc(C)c(F)c4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257240868 572310241 /nfs/dbraw/zinc/31/02/41/572310241.db2.gz HVMYPIHRFKVGBG-HHHXNRCGSA-N 1 2 565.711 4.548 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc5c(c4)CCCC5)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257240984 572310204 /nfs/dbraw/zinc/31/02/04/572310204.db2.gz HWBLDDJLMKVVDR-IZEXYCQBSA-N 1 2 553.769 4.783 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc5c(c4)CCCC5)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257240984 572310202 /nfs/dbraw/zinc/31/02/02/572310202.db2.gz HWBLDDJLMKVVDR-IZEXYCQBSA-N 1 2 553.769 4.783 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc5c(c4)CCCC5)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257240985 572310237 /nfs/dbraw/zinc/31/02/37/572310237.db2.gz HWBLDDJLMKVVDR-QCENPCRXSA-N 1 2 553.769 4.783 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc5c(c4)CCCC5)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257240985 572310236 /nfs/dbraw/zinc/31/02/36/572310236.db2.gz HWBLDDJLMKVVDR-QCENPCRXSA-N 1 2 553.769 4.783 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@@H+](CC(=O)Nc4ccc(C(F)(F)F)cc4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257243821 572310501 /nfs/dbraw/zinc/31/05/01/572310501.db2.gz IIRTUXYQKLUWKN-WNJJXGMVSA-N 1 2 587.664 4.729 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@H+](CC(=O)Nc4ccc(C(F)(F)F)cc4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257243821 572310500 /nfs/dbraw/zinc/31/05/00/572310500.db2.gz IIRTUXYQKLUWKN-WNJJXGMVSA-N 1 2 587.664 4.729 40 0 KJABLO CN(Cc1ccccc1)C(=O)C[C@]1(COc2cccc(Cl)c2)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257243978 572310482 /nfs/dbraw/zinc/31/04/82/572310482.db2.gz IJJYTQQWGGTZNU-MUUNZHRXSA-N 1 2 509.050 4.663 40 0 KJABLO CN(Cc1ccccc1)C(=O)C[C@@]1(COc2cccc(Cl)c2)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257243979 572310516 /nfs/dbraw/zinc/31/05/16/572310516.db2.gz IJJYTQQWGGTZNU-NDEPHWFRSA-N 1 2 509.050 4.663 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000257245005 572310583 /nfs/dbraw/zinc/31/05/83/572310583.db2.gz INSLABPTVREZJH-UHFFFAOYSA-N 1 2 554.938 4.996 40 0 KJABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CCC1(C)C ZINC000257247370 572310700 /nfs/dbraw/zinc/31/07/00/572310700.db2.gz IYSGDCPDFDRCCM-UHFFFAOYSA-N 1 2 503.631 4.586 40 0 KJABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)CC2)CCC1(C)C ZINC000257247966 572310879 /nfs/dbraw/zinc/31/08/79/572310879.db2.gz JBKRCKKZMUHDRO-UHFFFAOYSA-N 1 2 536.739 4.830 40 0 KJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257249122 572310899 /nfs/dbraw/zinc/31/08/99/572310899.db2.gz JGWXFXQRJXYGTE-JYFHCDHNSA-N 1 2 501.599 4.957 40 0 KJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257249122 572310898 /nfs/dbraw/zinc/31/08/98/572310898.db2.gz JGWXFXQRJXYGTE-JYFHCDHNSA-N 1 2 501.599 4.957 40 0 KJABLO Cc1ccc(F)c(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)c4cccc(Cl)c4)C(C)(C)C3)CC2)c1 ZINC000257249329 572310928 /nfs/dbraw/zinc/31/09/28/572310928.db2.gz JHSRSNOEFXHQIN-UHFFFAOYSA-N 1 2 508.059 4.681 40 0 KJABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257249401 572310810 /nfs/dbraw/zinc/31/08/10/572310810.db2.gz JIDOUSLQTKISDZ-UHFFFAOYSA-N 1 2 539.620 4.711 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ccc(Oc3cccnc3)cc1)CC2 ZINC000257255660 572311591 /nfs/dbraw/zinc/31/15/91/572311591.db2.gz KIJJKRKQPCMONZ-UHFFFAOYSA-N 1 2 548.709 4.909 40 0 KJABLO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2cccc(F)c2)C3)cc1F ZINC000257256785 572311695 /nfs/dbraw/zinc/31/16/95/572311695.db2.gz KMXCALCTIBICRE-UHFFFAOYSA-N 1 2 505.631 4.557 40 0 KJABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)sc2c1 ZINC000257257050 572311728 /nfs/dbraw/zinc/31/17/28/572311728.db2.gz KNWQBGDICRCBNY-JYFHCDHNSA-N 1 2 501.624 4.703 40 0 KJABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)sc2c1 ZINC000257257050 572311727 /nfs/dbraw/zinc/31/17/27/572311727.db2.gz KNWQBGDICRCBNY-JYFHCDHNSA-N 1 2 501.624 4.703 40 0 KJABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257257766 572311843 /nfs/dbraw/zinc/31/18/43/572311843.db2.gz KQZLBDQZZNRTLO-UHFFFAOYSA-N 1 2 521.630 4.572 40 0 KJABLO Cc1ccc(F)c(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2cccc(F)c2)C3)c1 ZINC000257258841 572311949 /nfs/dbraw/zinc/31/19/49/572311949.db2.gz KVTDHQYYAUVCHH-UHFFFAOYSA-N 1 2 505.631 4.557 40 0 KJABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3ncc(Cc4ccccc4F)s3)CC2)CCC1(C)C ZINC000257259992 572312083 /nfs/dbraw/zinc/31/20/83/572312083.db2.gz LAXYVTNNHZVODZ-UHFFFAOYSA-N 1 2 550.766 4.754 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4cccc(F)c4C)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257261344 572312235 /nfs/dbraw/zinc/31/22/35/572312235.db2.gz LGXHVGHUUSTGGB-AREMUKBSSA-N 1 2 565.711 4.548 40 0 KJABLO CCCc1ccc(C[N@H+]2CCO[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)o1 ZINC000257262501 572312189 /nfs/dbraw/zinc/31/21/89/572312189.db2.gz LLRBNSUCHBCJBA-MUUNZHRXSA-N 1 2 519.082 4.526 40 0 KJABLO CCCc1ccc(C[N@@H+]2CCO[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)o1 ZINC000257262501 572312187 /nfs/dbraw/zinc/31/21/87/572312187.db2.gz LLRBNSUCHBCJBA-MUUNZHRXSA-N 1 2 519.082 4.526 40 0 KJABLO CCCc1ccc(C[N@H+]2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)o1 ZINC000257262502 572312239 /nfs/dbraw/zinc/31/22/39/572312239.db2.gz LLRBNSUCHBCJBA-NDEPHWFRSA-N 1 2 519.082 4.526 40 0 KJABLO CCCc1ccc(C[N@@H+]2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(O)CC3)C2)o1 ZINC000257262502 572312238 /nfs/dbraw/zinc/31/22/38/572312238.db2.gz LLRBNSUCHBCJBA-NDEPHWFRSA-N 1 2 519.082 4.526 40 0 KJABLO Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)C3)nc(C)n2)n[nH]1 ZINC000257263301 572312262 /nfs/dbraw/zinc/31/22/62/572312262.db2.gz LPEJSCCTTOQPTO-NRFANRHFSA-N 1 2 500.651 4.590 40 0 KJABLO Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)Cn4c5ccccc5[nH+]c4CC(C)C)C3)nc(C)n2)n[nH]1 ZINC000257263302 572312309 /nfs/dbraw/zinc/31/23/09/572312309.db2.gz LPEJSCCTTOQPTO-OAQYLSRUSA-N 1 2 500.651 4.590 40 0 KJABLO CCc1ccccc1NC(=O)C[NH+]1CCC2(CN(S(=O)(=O)c3cccc(Cl)c3)C(C)(C)C2)CC1 ZINC000257265096 572312417 /nfs/dbraw/zinc/31/24/17/572312417.db2.gz LXIAFEJMXINAKF-UHFFFAOYSA-N 1 2 504.096 4.796 40 0 KJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cc(Br)ccc2F)C1 ZINC000257266841 572312583 /nfs/dbraw/zinc/31/25/83/572312583.db2.gz METYQVUPELSWFS-JWQCQUIFSA-N 1 2 513.407 4.972 40 0 KJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2cc(Br)ccc2F)C1 ZINC000257266841 572312582 /nfs/dbraw/zinc/31/25/82/572312582.db2.gz METYQVUPELSWFS-JWQCQUIFSA-N 1 2 513.407 4.972 40 0 KJABLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(CN(S(=O)(=O)c3cccc(Cl)c3)C(C)(C)C2)CC1 ZINC000257267911 572312668 /nfs/dbraw/zinc/31/26/68/572312668.db2.gz MJJZFCOCZXWOAC-UHFFFAOYSA-N 1 2 520.095 4.551 40 0 KJABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3ccccc3)C4)sc2c1 ZINC000257268567 572312680 /nfs/dbraw/zinc/31/26/80/572312680.db2.gz MMGGKJZRVBKMDG-UHFFFAOYSA-N 1 2 556.754 4.979 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccc(OC(F)F)cc1)CC2 ZINC000257273482 572313284 /nfs/dbraw/zinc/31/32/84/572313284.db2.gz NGTRHMXDZACPMN-UHFFFAOYSA-N 1 2 542.048 4.835 40 0 KJABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CCCn3c4ccccc4nc3C(C)C)C2)c2cnccc2[nH+]1 ZINC000257274449 572313207 /nfs/dbraw/zinc/31/32/07/572313207.db2.gz NLBZKXLLJZOWSI-PMERELPUSA-N 1 2 514.674 4.681 40 0 KJABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CCCn3c4ccccc4nc3C(C)C)C2)c2cnccc2[nH+]1 ZINC000257274450 572313262 /nfs/dbraw/zinc/31/32/62/572313262.db2.gz NLBZKXLLJZOWSI-SSEXGKCCSA-N 1 2 514.674 4.681 40 0 KJABLO CCCCOc1ccc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)Cc4ccccc4)C(C)(C)C3)CC2)cc1 ZINC000257279159 572313816 /nfs/dbraw/zinc/31/38/16/572313816.db2.gz OFFZGDWPCDPSKO-UHFFFAOYSA-N 1 2 527.731 4.901 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccccc4OC(F)F)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257281077 572313926 /nfs/dbraw/zinc/31/39/26/572313926.db2.gz ONMPZVNGLJWPNE-RUZDIDTESA-N 1 2 599.700 4.702 40 0 KJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257281813 572314099 /nfs/dbraw/zinc/31/40/99/572314099.db2.gz ORCQMEJXNMDMEF-RPLLCQBOSA-N 1 2 515.626 4.881 40 0 KJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257281813 572314097 /nfs/dbraw/zinc/31/40/97/572314097.db2.gz ORCQMEJXNMDMEF-RPLLCQBOSA-N 1 2 515.626 4.881 40 0 KJABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257282603 572314016 /nfs/dbraw/zinc/31/40/16/572314016.db2.gz OULPKIDIJZADJC-UHFFFAOYSA-N 1 2 534.520 4.733 40 0 KJABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1Cl ZINC000257288495 572314724 /nfs/dbraw/zinc/31/47/24/572314724.db2.gz PUKBTAQVGFIPFC-FIPFOOKPSA-N 1 2 564.148 4.566 40 0 KJABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1Cl ZINC000257288495 572314723 /nfs/dbraw/zinc/31/47/23/572314723.db2.gz PUKBTAQVGFIPFC-FIPFOOKPSA-N 1 2 564.148 4.566 40 0 KJABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1Cl ZINC000257288496 572314703 /nfs/dbraw/zinc/31/47/03/572314703.db2.gz PUKBTAQVGFIPFC-NEKDWFFYSA-N 1 2 564.148 4.566 40 0 KJABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1Cl ZINC000257288496 572314701 /nfs/dbraw/zinc/31/47/01/572314701.db2.gz PUKBTAQVGFIPFC-NEKDWFFYSA-N 1 2 564.148 4.566 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc(Br)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257290258 572314859 /nfs/dbraw/zinc/31/48/59/572314859.db2.gz QCEQOHMZPBVIMQ-IGKIAQTJSA-N 1 2 578.573 4.666 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc(Br)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257290258 572314858 /nfs/dbraw/zinc/31/48/58/572314858.db2.gz QCEQOHMZPBVIMQ-IGKIAQTJSA-N 1 2 578.573 4.666 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc(Br)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257290259 572314884 /nfs/dbraw/zinc/31/48/84/572314884.db2.gz QCEQOHMZPBVIMQ-RPLLCQBOSA-N 1 2 578.573 4.666 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc(Br)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257290259 572314883 /nfs/dbraw/zinc/31/48/83/572314883.db2.gz QCEQOHMZPBVIMQ-RPLLCQBOSA-N 1 2 578.573 4.666 40 0 KJABLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)CC(C)C)C3)nc1-c1ccccc1 ZINC000257292471 572315205 /nfs/dbraw/zinc/31/52/05/572315205.db2.gz QLQQMOMFUJHNJQ-UHFFFAOYSA-N 1 2 532.776 4.999 40 0 KJABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)Cc5ccccc5)C(C)(C)C4)CC3)sc2c1 ZINC000257298988 572315723 /nfs/dbraw/zinc/31/57/23/572315723.db2.gz ROEWZCWEAYQVPJ-UHFFFAOYSA-N 1 2 556.754 4.730 40 0 KJABLO Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)C[N@@H+](Cc3cccc(Cl)c3)CCO2)cc(C)c1Cl ZINC000257300640 572315934 /nfs/dbraw/zinc/31/59/34/572315934.db2.gz RVDZKLKKMKUUST-HHHXNRCGSA-N 1 2 521.485 4.634 40 0 KJABLO Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)C[N@H+](Cc3cccc(Cl)c3)CCO2)cc(C)c1Cl ZINC000257300640 572315933 /nfs/dbraw/zinc/31/59/33/572315933.db2.gz RVDZKLKKMKUUST-HHHXNRCGSA-N 1 2 521.485 4.634 40 0 KJABLO Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)C[N@@H+](Cc3cccc(Cl)c3)CCO2)cc(C)c1Cl ZINC000257300641 572315905 /nfs/dbraw/zinc/31/59/05/572315905.db2.gz RVDZKLKKMKUUST-MHZLTWQESA-N 1 2 521.485 4.634 40 0 KJABLO Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)C[N@H+](Cc3cccc(Cl)c3)CCO2)cc(C)c1Cl ZINC000257300641 572315904 /nfs/dbraw/zinc/31/59/04/572315904.db2.gz RVDZKLKKMKUUST-MHZLTWQESA-N 1 2 521.485 4.634 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)CC2 ZINC000257300731 572315931 /nfs/dbraw/zinc/31/59/31/572315931.db2.gz RVMFQZIJTSZVOY-UHFFFAOYSA-N 1 2 556.729 4.984 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccc(OC(F)F)cc4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257302007 572316042 /nfs/dbraw/zinc/31/60/42/572316042.db2.gz SAYNRVOIOUBGQX-AREMUKBSSA-N 1 2 599.700 4.702 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4c(C)cccc4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257302382 572316019 /nfs/dbraw/zinc/31/60/19/572316019.db2.gz SCSKBPWHOYOUJR-ABYGYWHVSA-N 1 2 527.731 4.521 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4c(C)cccc4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257302382 572316018 /nfs/dbraw/zinc/31/60/18/572316018.db2.gz SCSKBPWHOYOUJR-ABYGYWHVSA-N 1 2 527.731 4.521 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4c(C)cccc4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257302383 572316033 /nfs/dbraw/zinc/31/60/33/572316033.db2.gz SCSKBPWHOYOUJR-SVEHJYQDSA-N 1 2 527.731 4.521 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4c(C)cccc4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257302383 572316032 /nfs/dbraw/zinc/31/60/32/572316032.db2.gz SCSKBPWHOYOUJR-SVEHJYQDSA-N 1 2 527.731 4.521 40 0 KJABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)CC2)C1 ZINC000257303779 572316151 /nfs/dbraw/zinc/31/61/51/572316151.db2.gz SIRNYTDSIXKFPP-UHFFFAOYSA-N 1 2 550.766 4.611 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4c(C)cccc4C)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257306880 572316499 /nfs/dbraw/zinc/31/64/99/572316499.db2.gz SWJTUJWAKFOHRJ-MUUNZHRXSA-N 1 2 561.748 4.717 40 0 KJABLO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)CN(S(=O)(=O)c2ccc(C)cc2)[C@H](Cc2ccccc2)CO3)cc1Cl ZINC000257308987 572316697 /nfs/dbraw/zinc/31/66/97/572316697.db2.gz TZBDQDBDZASBBH-AREMUKBSSA-N 1 2 598.165 4.763 40 0 KJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(Br)cc2F)C1 ZINC000257309018 572316708 /nfs/dbraw/zinc/31/67/08/572316708.db2.gz TZFHAGYUGHTCMP-JWQCQUIFSA-N 1 2 513.407 4.972 40 0 KJABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccc(Br)cc2F)C1 ZINC000257309018 572316707 /nfs/dbraw/zinc/31/67/07/572316707.db2.gz TZFHAGYUGHTCMP-JWQCQUIFSA-N 1 2 513.407 4.972 40 0 KJABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3nc4ccc(Cl)cc4s3)CC2)C1 ZINC000257309107 572316738 /nfs/dbraw/zinc/31/67/38/572316738.db2.gz TZOIRDYJQWKMHM-UHFFFAOYSA-N 1 2 527.156 4.688 40 0 KJABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3nc4ccc(Cl)cc4s3)CC2)CCC1(C)C ZINC000257309230 572316765 /nfs/dbraw/zinc/31/67/65/572316765.db2.gz UACFFIZYGCUFKU-UHFFFAOYSA-N 1 2 527.156 4.831 40 0 KJABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3nc4ccc(F)cc4s3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257311444 572317005 /nfs/dbraw/zinc/31/70/05/572317005.db2.gz UJMGPNLQNXWUIB-UHFFFAOYSA-N 1 2 548.681 4.859 40 0 KJABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)CC(C)C)C4)sc2c1 ZINC000257314115 572317260 /nfs/dbraw/zinc/31/72/60/572317260.db2.gz UVJZSYYXQAJMOT-UHFFFAOYSA-N 1 2 536.764 4.576 40 0 KJABLO Cc1ccc(F)cc1NC(=O)C[NH+]1CCC2(CN(S(=O)(=O)c3cccc(Cl)c3)C(C)(C)C2)CC1 ZINC000257314560 572317294 /nfs/dbraw/zinc/31/72/94/572317294.db2.gz UXMDFMMTZVSNSI-UHFFFAOYSA-N 1 2 508.059 4.681 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4cccc5c4CCCC5)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257315795 572317335 /nfs/dbraw/zinc/31/73/35/572317335.db2.gz VCUFZGXKFSIVPE-DODOAAEWSA-N 1 2 587.786 4.979 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4cccc5c4CCCC5)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257315795 572317334 /nfs/dbraw/zinc/31/73/34/572317334.db2.gz VCUFZGXKFSIVPE-DODOAAEWSA-N 1 2 587.786 4.979 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4cccc5c4CCCC5)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257315796 572317344 /nfs/dbraw/zinc/31/73/44/572317344.db2.gz VCUFZGXKFSIVPE-ZBWWXOROSA-N 1 2 587.786 4.979 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4cccc5c4CCCC5)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257315796 572317343 /nfs/dbraw/zinc/31/73/43/572317343.db2.gz VCUFZGXKFSIVPE-ZBWWXOROSA-N 1 2 587.786 4.979 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccccc1OC(F)F)CC2 ZINC000257316134 572317381 /nfs/dbraw/zinc/31/73/81/572317381.db2.gz VEHOINRDDXGJMW-UHFFFAOYSA-N 1 2 542.048 4.835 40 0 KJABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257316863 572317489 /nfs/dbraw/zinc/31/74/89/572317489.db2.gz VHICCRMMJDURDQ-UHFFFAOYSA-N 1 2 508.059 4.763 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc(C(F)(F)F)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257319189 572317840 /nfs/dbraw/zinc/31/78/40/572317840.db2.gz VREGLNJLQKYGKV-IGKIAQTJSA-N 1 2 567.674 4.923 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc(C(F)(F)F)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257319189 572317838 /nfs/dbraw/zinc/31/78/38/572317838.db2.gz VREGLNJLQKYGKV-IGKIAQTJSA-N 1 2 567.674 4.923 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc(C(F)(F)F)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257319190 572317889 /nfs/dbraw/zinc/31/78/89/572317889.db2.gz VREGLNJLQKYGKV-RPLLCQBOSA-N 1 2 567.674 4.923 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc(C(F)(F)F)cc4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257319190 572317888 /nfs/dbraw/zinc/31/78/88/572317888.db2.gz VREGLNJLQKYGKV-RPLLCQBOSA-N 1 2 567.674 4.923 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4cccc(C(F)(F)F)c4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257319756 572317951 /nfs/dbraw/zinc/31/79/51/572317951.db2.gz VTYLMJADAFCCGI-IGKIAQTJSA-N 1 2 567.674 4.923 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4cccc(C(F)(F)F)c4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257319756 572317950 /nfs/dbraw/zinc/31/79/50/572317950.db2.gz VTYLMJADAFCCGI-IGKIAQTJSA-N 1 2 567.674 4.923 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4cccc(C(F)(F)F)c4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257319757 572317913 /nfs/dbraw/zinc/31/79/13/572317913.db2.gz VTYLMJADAFCCGI-RPLLCQBOSA-N 1 2 567.674 4.923 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4cccc(C(F)(F)F)c4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257319757 572317911 /nfs/dbraw/zinc/31/79/11/572317911.db2.gz VTYLMJADAFCCGI-RPLLCQBOSA-N 1 2 567.674 4.923 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1nc3ccc(F)cc3s1)CC2 ZINC000257321090 572318070 /nfs/dbraw/zinc/31/80/70/572318070.db2.gz WABBTPSVCVFYMA-UHFFFAOYSA-N 1 2 551.109 4.983 40 0 KJABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257321238 572318031 /nfs/dbraw/zinc/31/80/31/572318031.db2.gz WATCPYDZXYDUGC-UHFFFAOYSA-N 1 2 552.510 4.872 40 0 KJABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)CCC1(C)C ZINC000257323518 572318208 /nfs/dbraw/zinc/31/82/08/572318208.db2.gz WKOPMKPRRVSFEC-UHFFFAOYSA-N 1 2 503.631 4.586 40 0 KJABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)CCC1(C)C ZINC000257325395 572318321 /nfs/dbraw/zinc/31/83/21/572318321.db2.gz WSTSPRNBJCETJO-UHFFFAOYSA-N 1 2 528.719 4.755 40 0 KJABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)CCC1(C)C ZINC000257326029 572318552 /nfs/dbraw/zinc/31/85/52/572318552.db2.gz WVMGGSIMHBWGQL-UHFFFAOYSA-N 1 2 503.631 4.586 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4cc(F)ccc4C)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257326584 572318562 /nfs/dbraw/zinc/31/85/62/572318562.db2.gz WXTJCWFHBSVQMY-HHHXNRCGSA-N 1 2 565.711 4.548 40 0 KJABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257328818 572318789 /nfs/dbraw/zinc/31/87/89/572318789.db2.gz XHFUROFBAYLHIJ-IGKIAQTJSA-N 1 2 510.660 4.658 40 0 KJABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257328818 572318788 /nfs/dbraw/zinc/31/87/88/572318788.db2.gz XHFUROFBAYLHIJ-IGKIAQTJSA-N 1 2 510.660 4.658 40 0 KJABLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)CC(C)C)C4)n2)cc1 ZINC000257329186 572318781 /nfs/dbraw/zinc/31/87/81/572318781.db2.gz XIVUCGBDTLGFFA-UHFFFAOYSA-N 1 2 548.775 4.700 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4cc(C)ccc4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257329331 572318729 /nfs/dbraw/zinc/31/87/29/572318729.db2.gz XJLLWBQCEYDBQY-ABYGYWHVSA-N 1 2 527.731 4.521 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4cc(C)ccc4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257329331 572318728 /nfs/dbraw/zinc/31/87/28/572318728.db2.gz XJLLWBQCEYDBQY-ABYGYWHVSA-N 1 2 527.731 4.521 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4cc(C)ccc4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257329332 572318771 /nfs/dbraw/zinc/31/87/71/572318771.db2.gz XJLLWBQCEYDBQY-SVEHJYQDSA-N 1 2 527.731 4.521 40 0 KJABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4cc(C)ccc4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257329332 572318770 /nfs/dbraw/zinc/31/87/70/572318770.db2.gz XJLLWBQCEYDBQY-SVEHJYQDSA-N 1 2 527.731 4.521 40 0 KJABLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)CC(C)C)C4)n2)cc1 ZINC000257330330 572318859 /nfs/dbraw/zinc/31/88/59/572318859.db2.gz XNXMYFDZBBGTCR-UHFFFAOYSA-N 1 2 532.776 4.999 40 0 KJABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257331465 572318854 /nfs/dbraw/zinc/31/88/54/572318854.db2.gz XSZOWRYHFFQEBL-UHFFFAOYSA-N 1 2 523.621 4.989 40 0 KJABLO Cc1ccc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)c4cccc(Cl)c4)C(C)(C)C3)CC2)cc1F ZINC000257336399 572319513 /nfs/dbraw/zinc/31/95/13/572319513.db2.gz YOFWNJGFACTSDO-UHFFFAOYSA-N 1 2 508.059 4.681 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4cc(C)ccc4C)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257336625 572319484 /nfs/dbraw/zinc/31/94/84/572319484.db2.gz YPGMOJZZGGUUMZ-MUUNZHRXSA-N 1 2 561.748 4.717 40 0 KJABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)n2)cc1 ZINC000257337961 572319631 /nfs/dbraw/zinc/31/96/31/572319631.db2.gz YVFRPKFFQOLRNB-RPLLCQBOSA-N 1 2 513.635 4.827 40 0 KJABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)n2)cc1 ZINC000257337961 572319630 /nfs/dbraw/zinc/31/96/30/572319630.db2.gz YVFRPKFFQOLRNB-RPLLCQBOSA-N 1 2 513.635 4.827 40 0 KJABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257338800 572319688 /nfs/dbraw/zinc/31/96/88/572319688.db2.gz YZAIPLLGNCQXAR-RPLLCQBOSA-N 1 2 515.626 4.881 40 0 KJABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257338800 572319685 /nfs/dbraw/zinc/31/96/85/572319685.db2.gz YZAIPLLGNCQXAR-RPLLCQBOSA-N 1 2 515.626 4.881 40 0 KJABLO CCN(C(=O)C[N@H+]1CCC[C@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO2)C1)c1cccc(C)c1 ZINC000257342831 572319973 /nfs/dbraw/zinc/31/99/73/572319973.db2.gz ZQIBSISMANXERS-BHBYDHKZSA-N 1 2 541.758 4.627 40 0 KJABLO CCN(C(=O)C[N@@H+]1CCC[C@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO2)C1)c1cccc(C)c1 ZINC000257342831 572319972 /nfs/dbraw/zinc/31/99/72/572319972.db2.gz ZQIBSISMANXERS-BHBYDHKZSA-N 1 2 541.758 4.627 40 0 KJABLO CCN(C(=O)C[N@H+]1CCC[C@@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO2)C1)c1cccc(C)c1 ZINC000257342832 572320077 /nfs/dbraw/zinc/32/00/77/572320077.db2.gz ZQIBSISMANXERS-FIBWVYCGSA-N 1 2 541.758 4.627 40 0 KJABLO CCN(C(=O)C[N@@H+]1CCC[C@@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO2)C1)c1cccc(C)c1 ZINC000257342832 572320074 /nfs/dbraw/zinc/32/00/74/572320074.db2.gz ZQIBSISMANXERS-FIBWVYCGSA-N 1 2 541.758 4.627 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccc(Cl)cc4)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257343014 572319999 /nfs/dbraw/zinc/31/99/99/572319999.db2.gz ZRBJZVXWJUGQDJ-HHHXNRCGSA-N 1 2 568.139 4.754 40 0 KJABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ncc(Cc3ccccc3F)s1)CC2 ZINC000257343476 572320190 /nfs/dbraw/zinc/32/01/90/572320190.db2.gz ZTELYURFDLIACH-UHFFFAOYSA-N 1 2 570.756 4.908 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Br)c(O)c(OCC)c1 ZINC000261361685 572103811 /nfs/dbraw/zinc/10/38/11/572103811.db2.gz ANIBDAZGPFHYPO-FQEVSTJZSA-O 1 2 504.430 4.868 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Br)c(O)c(OCC)c1 ZINC000261361687 572103676 /nfs/dbraw/zinc/10/36/76/572103676.db2.gz ANIBDAZGPFHYPO-HXUWFJFHSA-O 1 2 504.430 4.868 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccccc1Br ZINC000261361994 572103721 /nfs/dbraw/zinc/10/37/21/572103721.db2.gz BQWFSRDFWCSALL-JOCHJYFZSA-O 1 2 506.405 4.828 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccccc1Br ZINC000261361998 572103864 /nfs/dbraw/zinc/10/38/64/572103864.db2.gz BQWFSRDFWCSALL-QFIPXVFZSA-O 1 2 506.405 4.828 40 0 KJABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc(I)c1O ZINC000261362116 572103875 /nfs/dbraw/zinc/10/38/75/572103875.db2.gz FXCLMZSNNIBTDF-JOCHJYFZSA-O 1 2 571.420 4.720 40 0 KJABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc(I)c1O ZINC000261362120 572103896 /nfs/dbraw/zinc/10/38/96/572103896.db2.gz FXCLMZSNNIBTDF-QFIPXVFZSA-O 1 2 571.420 4.720 40 0 KJABLO CCC(=O)Oc1cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Br)c1OC(=O)CC ZINC000261362269 572104305 /nfs/dbraw/zinc/10/43/05/572104305.db2.gz COVNMVZVTXYMSQ-RUZDIDTESA-O 1 2 602.487 4.555 40 0 KJABLO CCC(=O)Oc1cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Br)c1OC(=O)CC ZINC000261362270 572104292 /nfs/dbraw/zinc/10/42/92/572104292.db2.gz COVNMVZVTXYMSQ-VWLOTQADSA-O 1 2 602.487 4.555 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(Br)s1 ZINC000261362294 572104248 /nfs/dbraw/zinc/10/42/48/572104248.db2.gz CRBBSSZZWLFLSA-FQEVSTJZSA-O 1 2 512.434 4.890 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(Br)s1 ZINC000261362295 572104263 /nfs/dbraw/zinc/10/42/63/572104263.db2.gz CRBBSSZZWLFLSA-HXUWFJFHSA-O 1 2 512.434 4.890 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000261362374 572104207 /nfs/dbraw/zinc/10/42/07/572104207.db2.gz IXMWBHJTEWIREX-JOCHJYFZSA-O 1 2 510.393 4.795 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 ZINC000261362375 572104300 /nfs/dbraw/zinc/10/43/00/572104300.db2.gz IXMWBHJTEWIREX-QFIPXVFZSA-O 1 2 510.393 4.795 40 0 KJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261362422 572104277 /nfs/dbraw/zinc/10/42/77/572104277.db2.gz KATDCFVJSLEHKC-KRWDZBQOSA-O 1 2 525.246 4.842 40 0 KJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261362423 572104233 /nfs/dbraw/zinc/10/42/33/572104233.db2.gz KATDCFVJSLEHKC-QGZVFWFLSA-O 1 2 525.246 4.842 40 0 KJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c(OC)c1OC ZINC000261362465 572104170 /nfs/dbraw/zinc/10/41/70/572104170.db2.gz DDZMYYLEYBKAGW-AREMUKBSSA-O 1 2 525.651 4.748 40 0 KJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(OC)c1OC ZINC000261362466 572104140 /nfs/dbraw/zinc/10/41/40/572104140.db2.gz DDZMYYLEYBKAGW-SANMLTNESA-O 1 2 525.651 4.748 40 0 KJABLO COc1cc([C@H]2N(C(=O)c3ccccc3)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(I)c1OC ZINC000261362483 572104243 /nfs/dbraw/zinc/10/42/43/572104243.db2.gz DIRWJFUZMMZDKT-DEOSSOPVSA-O 1 2 613.457 4.688 40 0 KJABLO COc1cc([C@@H]2N(C(=O)c3ccccc3)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(I)c1OC ZINC000261362484 572104317 /nfs/dbraw/zinc/10/43/17/572104317.db2.gz DIRWJFUZMMZDKT-XMMPIXPASA-O 1 2 613.457 4.688 40 0 KJABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc(Br)c1O ZINC000261362617 572104178 /nfs/dbraw/zinc/10/41/78/572104178.db2.gz MGYWGDMYKXJJNA-JOCHJYFZSA-O 1 2 524.420 4.878 40 0 KJABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc(Br)c1O ZINC000261362619 572104268 /nfs/dbraw/zinc/10/42/68/572104268.db2.gz MGYWGDMYKXJJNA-QFIPXVFZSA-O 1 2 524.420 4.878 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccc(OC(=O)CC)c(Cl)c1 ZINC000261362755 572104801 /nfs/dbraw/zinc/10/48/01/572104801.db2.gz FANGUZYUFRQQAG-HSZRJFAPSA-O 1 2 500.000 4.521 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1ccc(OC(=O)CC)c(Cl)c1 ZINC000261362757 572104880 /nfs/dbraw/zinc/10/48/80/572104880.db2.gz FANGUZYUFRQQAG-QHCPKHFHSA-O 1 2 500.000 4.521 40 0 KJABLO COC(=O)c1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc1 ZINC000261362806 572104593 /nfs/dbraw/zinc/10/45/93/572104593.db2.gz FFBQCHJHWYZCKI-RUZDIDTESA-O 1 2 534.017 4.782 40 0 KJABLO COC(=O)c1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc1 ZINC000261362807 572104741 /nfs/dbraw/zinc/10/47/41/572104741.db2.gz FFBQCHJHWYZCKI-VWLOTQADSA-O 1 2 534.017 4.782 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)c(OC)c(Br)c1 ZINC000261362997 572104792 /nfs/dbraw/zinc/10/47/92/572104792.db2.gz ODLLIWKRIWFXQE-FQEVSTJZSA-O 1 2 567.283 4.696 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)c(OC)c(Br)c1 ZINC000261363000 572104761 /nfs/dbraw/zinc/10/47/61/572104761.db2.gz ODLLIWKRIWFXQE-HXUWFJFHSA-O 1 2 567.283 4.696 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC(C)=O)c1Cl ZINC000261363065 572104886 /nfs/dbraw/zinc/10/48/86/572104886.db2.gz FTWHFSGWSRNOAI-HSZRJFAPSA-O 1 2 500.000 4.521 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC(C)=O)c1Cl ZINC000261363066 572104846 /nfs/dbraw/zinc/10/48/46/572104846.db2.gz FTWHFSGWSRNOAI-QHCPKHFHSA-O 1 2 500.000 4.521 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)cc(OC)c1OC(C)=O ZINC000261363183 572105073 /nfs/dbraw/zinc/10/50/73/572105073.db2.gz PTMZQUSZWRRJRU-DEOSSOPVSA-O 1 2 530.026 4.530 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)cc(OC)c1OC(C)=O ZINC000261363185 572105380 /nfs/dbraw/zinc/10/53/80/572105380.db2.gz PTMZQUSZWRRJRU-XMMPIXPASA-O 1 2 530.026 4.530 40 0 KJABLO CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SCC)n[n+]32)cc(Cl)c1O ZINC000261363192 572105277 /nfs/dbraw/zinc/10/52/77/572105277.db2.gz GKDSDQUVIPLMSG-GOSISDBHSA-O 1 2 510.821 4.741 40 0 KJABLO CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SCC)n[n+]32)cc(Cl)c1O ZINC000261363195 572105091 /nfs/dbraw/zinc/10/50/91/572105091.db2.gz GKDSDQUVIPLMSG-SFHVURJKSA-O 1 2 510.821 4.741 40 0 KJABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc(OC)c1O ZINC000261363565 572105013 /nfs/dbraw/zinc/10/50/13/572105013.db2.gz HOALEBGSUQGTRC-HSZRJFAPSA-O 1 2 509.995 4.778 40 0 KJABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)cc(OC)c1O ZINC000261363566 572105288 /nfs/dbraw/zinc/10/52/88/572105288.db2.gz HOALEBGSUQGTRC-QHCPKHFHSA-O 1 2 509.995 4.778 40 0 KJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000261363610 572105692 /nfs/dbraw/zinc/10/56/92/572105692.db2.gz UEDOGHVNCFRWNP-FQEVSTJZSA-O 1 2 504.430 4.868 40 0 KJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000261363611 572105805 /nfs/dbraw/zinc/10/58/05/572105805.db2.gz UEDOGHVNCFRWNP-HXUWFJFHSA-O 1 2 504.430 4.868 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)cc(Br)c1OC(C)=O ZINC000261363678 572105982 /nfs/dbraw/zinc/10/59/82/572105982.db2.gz VRMSGLIPJBEAKP-DEOSSOPVSA-O 1 2 574.477 4.639 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)cc(Br)c1OC(C)=O ZINC000261363679 572105852 /nfs/dbraw/zinc/10/58/52/572105852.db2.gz VRMSGLIPJBEAKP-XMMPIXPASA-O 1 2 574.477 4.639 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000261363686 572105929 /nfs/dbraw/zinc/10/59/29/572105929.db2.gz VVDWGBLVWJMMME-DEOSSOPVSA-O 1 2 564.441 4.754 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000261363687 572105905 /nfs/dbraw/zinc/10/59/05/572105905.db2.gz VVDWGBLVWJMMME-XMMPIXPASA-O 1 2 564.441 4.754 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cc(Cl)ccc1OC(C)=O ZINC000261363786 572105970 /nfs/dbraw/zinc/10/59/70/572105970.db2.gz IFRAIDCBVBIXMC-NRFANRHFSA-O 1 2 550.842 4.503 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cc(Cl)ccc1OC(C)=O ZINC000261363787 572105883 /nfs/dbraw/zinc/10/58/83/572105883.db2.gz IFRAIDCBVBIXMC-OAQYLSRUSA-O 1 2 550.842 4.503 40 0 KJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cc(OC)c(O)cc1Cl ZINC000261363839 572105935 /nfs/dbraw/zinc/10/59/35/572105935.db2.gz XBRRTECZVCEMLP-GOSISDBHSA-O 1 2 510.821 4.741 40 0 KJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cc(OC)c(O)cc1Cl ZINC000261363840 572105911 /nfs/dbraw/zinc/10/59/11/572105911.db2.gz XBRRTECZVCEMLP-SFHVURJKSA-O 1 2 510.821 4.741 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(I)c(O)c(OCC)c1 ZINC000261363841 572105714 /nfs/dbraw/zinc/10/57/14/572105714.db2.gz XDBCOXJOCNUTDD-FQEVSTJZSA-O 1 2 551.430 4.710 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(I)c(O)c(OCC)c1 ZINC000261363842 572105828 /nfs/dbraw/zinc/10/58/28/572105828.db2.gz XDBCOXJOCNUTDD-HXUWFJFHSA-O 1 2 551.430 4.710 40 0 KJABLO CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SCC)n[n+]32)cc(Br)c1O ZINC000261364068 572106373 /nfs/dbraw/zinc/10/63/73/572106373.db2.gz JBBCJKOZDUUSBK-GOSISDBHSA-O 1 2 555.272 4.850 40 0 KJABLO CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SCC)n[n+]32)cc(Br)c1O ZINC000261364069 572106313 /nfs/dbraw/zinc/10/63/13/572106313.db2.gz JBBCJKOZDUUSBK-SFHVURJKSA-O 1 2 555.272 4.850 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(O)c(OCC)c1 ZINC000261364145 572106577 /nfs/dbraw/zinc/10/65/77/572106577.db2.gz JNJKRVVRHNPIRQ-FQEVSTJZSA-O 1 2 504.430 4.868 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1ccc(O)c(OCC)c1 ZINC000261364146 572106590 /nfs/dbraw/zinc/10/65/90/572106590.db2.gz JNJKRVVRHNPIRQ-HXUWFJFHSA-O 1 2 504.430 4.868 40 0 KJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC)cc1OC ZINC000261364151 572106390 /nfs/dbraw/zinc/10/63/90/572106390.db2.gz JNOHNTHWQYSISK-AREMUKBSSA-O 1 2 525.651 4.748 40 0 KJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000261364152 572106353 /nfs/dbraw/zinc/10/63/53/572106353.db2.gz JNOHNTHWQYSISK-SANMLTNESA-O 1 2 525.651 4.748 40 0 KJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000261364272 572106473 /nfs/dbraw/zinc/10/64/73/572106473.db2.gz KIOQJNUVOMXSDI-AREMUKBSSA-O 1 2 531.614 4.989 40 0 KJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000261364273 572106419 /nfs/dbraw/zinc/10/64/19/572106419.db2.gz KIOQJNUVOMXSDI-SANMLTNESA-O 1 2 531.614 4.989 40 0 KJABLO CCC(=O)Oc1c(Cl)cc(Cl)cc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364286 572106363 /nfs/dbraw/zinc/10/63/63/572106363.db2.gz KMBWINNITQNCLB-JOCHJYFZSA-O 1 2 520.418 4.784 40 0 KJABLO CCC(=O)Oc1c(Cl)cc(Cl)cc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364287 572106468 /nfs/dbraw/zinc/10/64/68/572106468.db2.gz KMBWINNITQNCLB-QFIPXVFZSA-O 1 2 520.418 4.784 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC(C)=O)ccc1Br ZINC000261364294 572106517 /nfs/dbraw/zinc/10/65/17/572106517.db2.gz KMUXFIHJFCAFKY-HSZRJFAPSA-O 1 2 544.451 4.630 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC(C)=O)ccc1Br ZINC000261364295 572106548 /nfs/dbraw/zinc/10/65/48/572106548.db2.gz KMUXFIHJFCAFKY-QHCPKHFHSA-O 1 2 544.451 4.630 40 0 KJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(I)c(OC(C)=O)c(I)c1 ZINC000261364362 572106414 /nfs/dbraw/zinc/10/64/14/572106414.db2.gz LCGYXAQRPIGQJH-JOCHJYFZSA-O 1 2 703.320 4.687 40 0 KJABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(I)c(OC(C)=O)c(I)c1 ZINC000261364363 572106409 /nfs/dbraw/zinc/10/64/09/572106409.db2.gz LCGYXAQRPIGQJH-QFIPXVFZSA-O 1 2 703.320 4.687 40 0 KJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cn(C(C)=O)c2ccccc12 ZINC000261364389 572106455 /nfs/dbraw/zinc/10/64/55/572106455.db2.gz LFJLWICUICAMQG-AREMUKBSSA-O 1 2 502.620 4.947 40 0 KJABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cn(C(C)=O)c2ccccc12 ZINC000261364390 572106524 /nfs/dbraw/zinc/10/65/24/572106524.db2.gz LFJLWICUICAMQG-SANMLTNESA-O 1 2 502.620 4.947 40 0 KJABLO CCC(=O)Oc1c(Br)cc(Cl)cc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364565 572106812 /nfs/dbraw/zinc/10/68/12/572106812.db2.gz MFNINIINELEAEK-JOCHJYFZSA-O 1 2 564.869 4.893 40 0 KJABLO CCC(=O)Oc1c(Br)cc(Cl)cc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364566 572106976 /nfs/dbraw/zinc/10/69/76/572106976.db2.gz MFNINIINELEAEK-QFIPXVFZSA-O 1 2 564.869 4.893 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC)cc1Cl ZINC000261364567 572106889 /nfs/dbraw/zinc/10/68/89/572106889.db2.gz MFXQMMCVQZLDJJ-HSZRJFAPSA-O 1 2 502.016 4.613 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC)cc1Cl ZINC000261364568 572106933 /nfs/dbraw/zinc/10/69/33/572106933.db2.gz MFXQMMCVQZLDJJ-QHCPKHFHSA-O 1 2 502.016 4.613 40 0 KJABLO COc1cc(Br)cc([C@H]2N(C(=O)c3ccccc3)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000261364630 572106825 /nfs/dbraw/zinc/10/68/25/572106825.db2.gz MPMLKJGYNBSNFC-DEOSSOPVSA-O 1 2 566.457 4.846 40 0 KJABLO COc1cc(Br)cc([C@@H]2N(C(=O)c3ccccc3)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000261364631 572106807 /nfs/dbraw/zinc/10/68/07/572106807.db2.gz MPMLKJGYNBSNFC-XMMPIXPASA-O 1 2 566.457 4.846 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1c(C)nn(-c2ccccc2)c1Cl ZINC000261364709 572106879 /nfs/dbraw/zinc/10/68/79/572106879.db2.gz NBWIWPPQBCXILR-JOCHJYFZSA-O 1 2 558.869 4.682 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1c(C)nn(-c2ccccc2)c1Cl ZINC000261364710 572106969 /nfs/dbraw/zinc/10/69/69/572106969.db2.gz NBWIWPPQBCXILR-QFIPXVFZSA-O 1 2 558.869 4.682 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(Cl)ccc1OC(=O)CC ZINC000261364713 572106848 /nfs/dbraw/zinc/10/68/48/572106848.db2.gz NCGBIDNFLZHOTC-HSZRJFAPSA-O 1 2 500.000 4.521 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(Cl)ccc1OC(=O)CC ZINC000261364714 572107012 /nfs/dbraw/zinc/10/70/12/572107012.db2.gz NCGBIDNFLZHOTC-QHCPKHFHSA-O 1 2 500.000 4.521 40 0 KJABLO CCOc1cc(Br)cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC(=O)CC ZINC000261364827 572107225 /nfs/dbraw/zinc/10/72/25/572107225.db2.gz NYVXYONTLLUCHJ-DEOSSOPVSA-O 1 2 574.477 4.639 40 0 KJABLO CCOc1cc(Br)cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC(=O)CC ZINC000261364828 572107383 /nfs/dbraw/zinc/10/73/83/572107383.db2.gz NYVXYONTLLUCHJ-XMMPIXPASA-O 1 2 574.477 4.639 40 0 KJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1c(C)nn(-c2ccccc2)c1Cl ZINC000261364889 572107185 /nfs/dbraw/zinc/10/71/85/572107185.db2.gz OMKPQVFUNFYFTR-DEOSSOPVSA-O 1 2 508.027 4.700 40 0 KJABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl ZINC000261364890 572107223 /nfs/dbraw/zinc/10/72/23/572107223.db2.gz OMKPQVFUNFYFTR-XMMPIXPASA-O 1 2 508.027 4.700 40 0 KJABLO CCCC(=O)Oc1ccc([C@@H]2N(C(=O)CCC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OCC ZINC000261365214 572108105 /nfs/dbraw/zinc/10/81/05/572108105.db2.gz QTIUSJUNUMDORS-AREMUKBSSA-O 1 2 523.635 4.656 40 0 KJABLO CCCC(=O)Oc1ccc([C@H]2N(C(=O)CCC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OCC ZINC000261365215 572107991 /nfs/dbraw/zinc/10/79/91/572107991.db2.gz QTIUSJUNUMDORS-SANMLTNESA-O 1 2 523.635 4.656 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cc(Br)ccc1OC ZINC000261365503 572107806 /nfs/dbraw/zinc/10/78/06/572107806.db2.gz SUCUTZCZCXCASM-FQEVSTJZSA-O 1 2 567.283 4.696 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cc(Br)ccc1OC ZINC000261365504 572108004 /nfs/dbraw/zinc/10/80/04/572108004.db2.gz SUCUTZCZCXCASM-HXUWFJFHSA-O 1 2 567.283 4.696 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cccc(Cl)c1Cl ZINC000261365667 572108059 /nfs/dbraw/zinc/10/80/59/572108059.db2.gz UMXYGLVCYPGQAT-GOSISDBHSA-O 1 2 513.224 4.841 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cccc(Cl)c1Cl ZINC000261365668 572107951 /nfs/dbraw/zinc/10/79/51/572107951.db2.gz UMXYGLVCYPGQAT-SFHVURJKSA-O 1 2 513.224 4.841 40 0 KJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000261365743 572108493 /nfs/dbraw/zinc/10/84/93/572108493.db2.gz VAHQXYZSLBNLAL-HHHXNRCGSA-O 1 2 553.661 4.665 40 0 KJABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000261365744 572108297 /nfs/dbraw/zinc/10/82/97/572108297.db2.gz VAHQXYZSLBNLAL-MHZLTWQESA-O 1 2 553.661 4.665 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(C)=O)c(Cl)c1 ZINC000261365779 572108486 /nfs/dbraw/zinc/10/84/86/572108486.db2.gz VFGWYFPFPSVGLN-HSZRJFAPSA-O 1 2 500.000 4.521 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)=O)c(Cl)c1 ZINC000261365780 572108565 /nfs/dbraw/zinc/10/85/65/572108565.db2.gz VFGWYFPFPSVGLN-QHCPKHFHSA-O 1 2 500.000 4.521 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000261366085 572108559 /nfs/dbraw/zinc/10/85/59/572108559.db2.gz XHNOMZLLFCSPEO-JOCHJYFZSA-O 1 2 506.405 4.828 40 0 KJABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(Br)cc1 ZINC000261366086 572109046 /nfs/dbraw/zinc/10/90/46/572109046.db2.gz XHNOMZLLFCSPEO-QFIPXVFZSA-O 1 2 506.405 4.828 40 0 KJABLO CCCC(=O)Oc1c(OC)cc(Cl)cc1[C@@H]1N(C(=O)CCC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261366223 572109214 /nfs/dbraw/zinc/10/92/14/572109214.db2.gz YCCLPHKXSNCKRI-RUZDIDTESA-O 1 2 544.053 4.920 40 0 KJABLO CCCC(=O)Oc1c(OC)cc(Cl)cc1[C@H]1N(C(=O)CCC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261366224 572109248 /nfs/dbraw/zinc/10/92/48/572109248.db2.gz YCCLPHKXSNCKRI-VWLOTQADSA-O 1 2 544.053 4.920 40 0 KJABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(Br)c(OC)c(Br)c1 ZINC000261366239 572109153 /nfs/dbraw/zinc/10/91/53/572109153.db2.gz YFSJWVHRDLZYGT-FQEVSTJZSA-O 1 2 567.283 4.696 40 0 KJABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(Br)c(OC)c(Br)c1 ZINC000261366240 572109189 /nfs/dbraw/zinc/10/91/89/572109189.db2.gz YFSJWVHRDLZYGT-HXUWFJFHSA-O 1 2 567.283 4.696 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC(C)=O)cc1Cl ZINC000261366267 572109276 /nfs/dbraw/zinc/10/92/76/572109276.db2.gz YKVQGOWZGRIJES-DEOSSOPVSA-O 1 2 530.026 4.530 40 0 KJABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC(C)=O)cc1Cl ZINC000261366268 572109079 /nfs/dbraw/zinc/10/90/79/572109079.db2.gz YKVQGOWZGRIJES-XMMPIXPASA-O 1 2 530.026 4.530 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(Cl)cc(Br)c1OC ZINC000261366354 572109100 /nfs/dbraw/zinc/10/91/00/572109100.db2.gz ZBYIUIYPCZOSJD-NRFANRHFSA-O 1 2 536.859 4.977 40 0 KJABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(Cl)cc(Br)c1OC ZINC000261366355 572109291 /nfs/dbraw/zinc/10/92/91/572109291.db2.gz ZBYIUIYPCZOSJD-OAQYLSRUSA-O 1 2 536.859 4.977 40 0 KJABLO OCCCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329026208 572149707 /nfs/dbraw/zinc/14/97/07/572149707.db2.gz PKRCZNJQCLILTE-UHFFFAOYSA-N 1 2 522.833 4.976 40 0 KJABLO O=C(CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408546783 572224129 /nfs/dbraw/zinc/22/41/29/572224129.db2.gz GKDQPSPFJOMPMB-UHFFFAOYSA-N 1 2 585.682 4.747 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408559457 572246717 /nfs/dbraw/zinc/24/67/17/572246717.db2.gz VOVRSTKSMHJZHD-UHFFFAOYSA-N 1 2 534.465 4.517 40 0 KJABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408562221 572248738 /nfs/dbraw/zinc/24/87/38/572248738.db2.gz YGZFWZBYLZCCEJ-UHFFFAOYSA-N 1 2 534.465 4.761 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408562281 572248702 /nfs/dbraw/zinc/24/87/02/572248702.db2.gz YQQQFRXOJBRUQR-UHFFFAOYSA-N 1 2 534.465 4.517 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408563504 572249252 /nfs/dbraw/zinc/24/92/52/572249252.db2.gz NRZKQGTZZMBARQ-UHFFFAOYSA-N 1 2 582.531 4.972 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408563504 572249250 /nfs/dbraw/zinc/24/92/50/572249250.db2.gz NRZKQGTZZMBARQ-UHFFFAOYSA-N 1 2 582.531 4.972 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408564332 572250392 /nfs/dbraw/zinc/25/03/92/572250392.db2.gz WIHXHGKQVUOXPG-UHFFFAOYSA-N 1 2 568.504 4.663 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408564332 572250389 /nfs/dbraw/zinc/25/03/89/572250389.db2.gz WIHXHGKQVUOXPG-UHFFFAOYSA-N 1 2 568.504 4.663 40 0 KJABLO CCc1ccccc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408564602 572250592 /nfs/dbraw/zinc/25/05/92/572250592.db2.gz YEOULDSKMMNXOC-FMIVXFBMSA-N 1 2 517.695 4.610 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408574614 572259758 /nfs/dbraw/zinc/25/97/58/572259758.db2.gz AIKBEAMTPQZGBL-UHFFFAOYSA-N 1 2 582.531 4.972 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408574614 572259757 /nfs/dbraw/zinc/25/97/57/572259757.db2.gz AIKBEAMTPQZGBL-UHFFFAOYSA-N 1 2 582.531 4.972 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408575763 572260654 /nfs/dbraw/zinc/26/06/54/572260654.db2.gz QQNUQDOALXLGID-UHFFFAOYSA-N 1 2 582.531 4.972 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408575763 572260652 /nfs/dbraw/zinc/26/06/52/572260652.db2.gz QQNUQDOALXLGID-UHFFFAOYSA-N 1 2 582.531 4.972 40 0 KJABLO CCOC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OCC ZINC000408587201 572266549 /nfs/dbraw/zinc/26/65/49/572266549.db2.gz SFNGKHLRBSURBV-UHFFFAOYSA-N 1 2 523.655 4.750 40 0 KJABLO CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408587405 572266558 /nfs/dbraw/zinc/26/65/58/572266558.db2.gz BRKSAOZBOGHUEM-UHFFFAOYSA-N 1 2 506.672 4.560 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408588555 572266960 /nfs/dbraw/zinc/26/69/60/572266960.db2.gz DCOKEKXJUIFLBQ-QPJJXVBHSA-N 1 2 544.048 4.516 40 0 KJABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)c(Cl)c1 ZINC000408589482 572267196 /nfs/dbraw/zinc/26/71/96/572267196.db2.gz FULHCRAGEZAQBE-UHFFFAOYSA-N 1 2 606.528 4.579 40 0 KJABLO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1)c1ccccc1 ZINC000408590091 572267597 /nfs/dbraw/zinc/26/75/97/572267597.db2.gz GYRQYPPWQWVXSK-HDFUYHJRSA-N 1 2 554.112 4.616 40 0 KJABLO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1)c1ccccc1 ZINC000408590379 572267734 /nfs/dbraw/zinc/26/77/34/572267734.db2.gz GYRQYPPWQWVXSK-OXHGWOFKSA-N 1 2 554.112 4.616 40 0 KJABLO CCN(CC)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408590660 572267827 /nfs/dbraw/zinc/26/78/27/572267827.db2.gz KHFBMPZZKZBZDP-UHFFFAOYSA-N 1 2 506.672 4.656 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCCC1 ZINC000408591415 572268282 /nfs/dbraw/zinc/26/82/82/572268282.db2.gz MCAXSUMOYAYHMZ-UHFFFAOYSA-N 1 2 518.683 4.800 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408593222 572269113 /nfs/dbraw/zinc/26/91/13/572269113.db2.gz NAHZJRZZYLXUNG-UXBLZVDNSA-N 1 2 566.123 4.718 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000408594321 572269654 /nfs/dbraw/zinc/26/96/54/572269654.db2.gz OKUZINIDSIUQLA-VMPITWQZSA-N 1 2 503.668 4.586 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408597047 572271366 /nfs/dbraw/zinc/27/13/66/572271366.db2.gz VXUHAUHZSORWHW-VMPITWQZSA-N 1 2 559.610 4.743 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000408597458 572271533 /nfs/dbraw/zinc/27/15/33/572271533.db2.gz WMGRHRSPXDLVIY-VMPITWQZSA-N 1 2 540.085 4.686 40 0 KJABLO C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)c1ccccc1 ZINC000408598258 572272044 /nfs/dbraw/zinc/27/20/44/572272044.db2.gz YMXXXMUHMNDEOZ-FPVCCHAOSA-N 1 2 517.695 4.516 40 0 KJABLO C[C@H](NS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)c1ccccc1 ZINC000408598259 572272020 /nfs/dbraw/zinc/27/20/20/572272020.db2.gz YMXXXMUHMNDEOZ-HGJFNOKFSA-N 1 2 517.695 4.516 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408601493 572272927 /nfs/dbraw/zinc/27/29/27/572272927.db2.gz ADFHGEZRSJVAHK-UHFFFAOYSA-N 1 2 568.504 4.663 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408601493 572272925 /nfs/dbraw/zinc/27/29/25/572272925.db2.gz ADFHGEZRSJVAHK-UHFFFAOYSA-N 1 2 568.504 4.663 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2Cl)cc1 ZINC000408602020 572273146 /nfs/dbraw/zinc/27/31/46/572273146.db2.gz BSWNDDZUJKDJLM-JXMROGBWSA-N 1 2 524.086 4.701 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408602816 572273378 /nfs/dbraw/zinc/27/33/78/572273378.db2.gz JAZGZDRQOHKPRU-UHFFFAOYSA-N 1 2 612.026 4.612 40 0 KJABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c1)C[N@H+](C)CC2 ZINC000408602857 572273325 /nfs/dbraw/zinc/27/33/25/572273325.db2.gz CYAZKSNQVIGVGM-UHFFFAOYSA-N 1 2 527.668 4.501 40 0 KJABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c1)C[N@@H+](C)CC2 ZINC000408602857 572273323 /nfs/dbraw/zinc/27/33/23/572273323.db2.gz CYAZKSNQVIGVGM-UHFFFAOYSA-N 1 2 527.668 4.501 40 0 KJABLO CC(C)c1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408606416 572274818 /nfs/dbraw/zinc/27/48/18/572274818.db2.gz KHDKGASGTYDFMF-FMIVXFBMSA-N 1 2 517.695 4.863 40 0 KJABLO Cc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408606431 572274846 /nfs/dbraw/zinc/27/48/46/572274846.db2.gz KIFPUJYCBBPWAY-DHZHZOJOSA-N 1 2 524.086 4.701 40 0 KJABLO Cc1cc(Cl)ccc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000408607460 572275163 /nfs/dbraw/zinc/27/51/63/572275163.db2.gz MLKCIJMRFQFIAO-DHZHZOJOSA-N 1 2 524.086 4.701 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408607698 572275256 /nfs/dbraw/zinc/27/52/56/572275256.db2.gz NFKBGCPDQSPJEJ-UHFFFAOYSA-N 1 2 562.113 4.627 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408607698 572275255 /nfs/dbraw/zinc/27/52/55/572275255.db2.gz NFKBGCPDQSPJEJ-UHFFFAOYSA-N 1 2 562.113 4.627 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1Cl ZINC000408607827 572275266 /nfs/dbraw/zinc/27/52/66/572275266.db2.gz QNHABROUTMXFSP-VMPITWQZSA-N 1 2 540.085 4.686 40 0 KJABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(C)cc2)cc1Br ZINC000408608640 572275637 /nfs/dbraw/zinc/27/56/37/572275637.db2.gz OJCBIJCUSWCHMC-RMKNXTFCSA-N 1 2 598.563 4.819 40 0 KJABLO COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)sc2c1CC[N@@H+](C)C2 ZINC000408609692 572275806 /nfs/dbraw/zinc/27/58/06/572275806.db2.gz PUWPOTIWSFDRHZ-UHFFFAOYSA-N 1 2 548.086 4.846 40 0 KJABLO COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)sc2c1CC[N@H+](C)C2 ZINC000408609692 572275804 /nfs/dbraw/zinc/27/58/04/572275804.db2.gz PUWPOTIWSFDRHZ-UHFFFAOYSA-N 1 2 548.086 4.846 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(C)c(C)c2)cc1 ZINC000408610481 572276196 /nfs/dbraw/zinc/27/61/96/572276196.db2.gz RFBKMLPRGOMECQ-JXMROGBWSA-N 1 2 517.695 4.665 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408611382 572276522 /nfs/dbraw/zinc/27/65/22/572276522.db2.gz WUZWBCPEFYBTAN-UHFFFAOYSA-N 1 2 568.017 4.883 40 0 KJABLO C[C@@H](Oc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)C(=O)NC1CCCCC1 ZINC000408611664 572276674 /nfs/dbraw/zinc/27/66/74/572276674.db2.gz QOOVCXJAABQJSI-RUZDIDTESA-N 1 2 561.748 4.999 40 0 KJABLO C[C@H](Oc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)C(=O)NC1CCCCC1 ZINC000408611667 572276657 /nfs/dbraw/zinc/27/66/57/572276657.db2.gz QOOVCXJAABQJSI-VWLOTQADSA-N 1 2 561.748 4.999 40 0 KJABLO O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408612457 572276915 /nfs/dbraw/zinc/27/69/15/572276915.db2.gz VISPAIKFYVMXRI-DHZHZOJOSA-N 1 2 543.611 4.758 40 0 KJABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c1)C[N@H+](C)CC2 ZINC000408613217 572277139 /nfs/dbraw/zinc/27/71/39/572277139.db2.gz VVSPCLPBXZPGDJ-UHFFFAOYSA-N 1 2 527.668 4.501 40 0 KJABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c1)C[N@@H+](C)CC2 ZINC000408613217 572277137 /nfs/dbraw/zinc/27/71/37/572277137.db2.gz VVSPCLPBXZPGDJ-UHFFFAOYSA-N 1 2 527.668 4.501 40 0 KJABLO CCOc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408613717 572277323 /nfs/dbraw/zinc/27/73/23/572277323.db2.gz XPPXMXWINSABSZ-RMKNXTFCSA-N 1 2 598.563 4.901 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408613729 572277361 /nfs/dbraw/zinc/27/73/61/572277361.db2.gz XRLQSBSFVSCCMB-UHFFFAOYSA-N 1 2 555.722 4.788 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408613729 572277360 /nfs/dbraw/zinc/27/73/60/572277360.db2.gz XRLQSBSFVSCCMB-UHFFFAOYSA-N 1 2 555.722 4.788 40 0 KJABLO CCOc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408613734 572277364 /nfs/dbraw/zinc/27/73/64/572277364.db2.gz XRRWNONBHWXCOP-RMKNXTFCSA-N 1 2 554.112 4.792 40 0 KJABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c1)C[N@H+](C)CC2 ZINC000408613981 572277671 /nfs/dbraw/zinc/27/76/71/572277671.db2.gz ZLAUOAWNFCILAC-UHFFFAOYSA-N 1 2 527.668 4.501 40 0 KJABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c1)C[N@@H+](C)CC2 ZINC000408613981 572277670 /nfs/dbraw/zinc/27/76/70/572277670.db2.gz ZLAUOAWNFCILAC-UHFFFAOYSA-N 1 2 527.668 4.501 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408614782 572277990 /nfs/dbraw/zinc/27/79/90/572277990.db2.gz HXEMRAIDWHVWQK-UHFFFAOYSA-N 1 2 568.504 4.663 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408614782 572277989 /nfs/dbraw/zinc/27/79/89/572277989.db2.gz HXEMRAIDWHVWQK-UHFFFAOYSA-N 1 2 568.504 4.663 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408614945 572278105 /nfs/dbraw/zinc/27/81/05/572278105.db2.gz KCKYBIQQSNOOPG-UHFFFAOYSA-N 1 2 581.638 4.684 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408614945 572278103 /nfs/dbraw/zinc/27/81/03/572278103.db2.gz KCKYBIQQSNOOPG-UHFFFAOYSA-N 1 2 581.638 4.684 40 0 KJABLO O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408615315 572278160 /nfs/dbraw/zinc/27/81/60/572278160.db2.gz OSPBYGUOFZOLDJ-JXMROGBWSA-N 1 2 554.510 4.502 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408615434 572278185 /nfs/dbraw/zinc/27/81/85/572278185.db2.gz ABINLWOHWOMBOB-UHFFFAOYSA-N 1 2 582.531 4.972 40 0 KJABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408615434 572278183 /nfs/dbraw/zinc/27/81/83/572278183.db2.gz ABINLWOHWOMBOB-UHFFFAOYSA-N 1 2 582.531 4.972 40 0 KJABLO COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)sc2c1CC[N@@H+](C)C2 ZINC000408615726 572278398 /nfs/dbraw/zinc/27/83/98/572278398.db2.gz COZXYGIUNGTSKZ-UHFFFAOYSA-N 1 2 534.059 4.538 40 0 KJABLO COC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)sc2c1CC[N@H+](C)C2 ZINC000408615726 572278396 /nfs/dbraw/zinc/27/83/96/572278396.db2.gz COZXYGIUNGTSKZ-UHFFFAOYSA-N 1 2 534.059 4.538 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2Cl)cc1 ZINC000408616250 572278650 /nfs/dbraw/zinc/27/86/50/572278650.db2.gz FKGQCAMXPQGAEI-VMPITWQZSA-N 1 2 510.059 4.920 40 0 KJABLO CN(c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408616495 572278815 /nfs/dbraw/zinc/27/88/15/572278815.db2.gz GWINEEBIAAKMPU-VMPITWQZSA-N 1 2 510.059 4.636 40 0 KJABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1Cl ZINC000408616685 572278933 /nfs/dbraw/zinc/27/89/33/572278933.db2.gz HLBAIHNHCSGIAZ-YRNVUSSQSA-N 1 2 510.059 4.920 40 0 KJABLO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408617051 572279226 /nfs/dbraw/zinc/27/92/26/572279226.db2.gz BHKQLQGKEABGIF-KPKJPENVSA-N 1 2 582.564 4.540 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccc(Cl)cc2)cc1 ZINC000408617135 572279267 /nfs/dbraw/zinc/27/92/67/572279267.db2.gz BUOSHNTVQKDTTD-VMPITWQZSA-N 1 2 538.113 4.697 40 0 KJABLO Cc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408617206 572279252 /nfs/dbraw/zinc/27/92/52/572279252.db2.gz IRQSTGDFMSWGBM-VMPITWQZSA-N 1 2 524.086 4.701 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2C)c(C)c1 ZINC000408617223 572279281 /nfs/dbraw/zinc/27/92/81/572279281.db2.gz CEURHSOMKUWWHY-JXMROGBWSA-N 1 2 503.668 4.884 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2C)cc1C ZINC000408617277 572279466 /nfs/dbraw/zinc/27/94/66/572279466.db2.gz FUQCXAGTBLZVQT-JXMROGBWSA-N 1 2 503.668 4.884 40 0 KJABLO COc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408617339 572279444 /nfs/dbraw/zinc/27/94/44/572279444.db2.gz GHFJHVWAQSLZCU-RMKNXTFCSA-N 1 2 554.112 4.710 40 0 KJABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(C)c(C)c1 ZINC000408619288 572280579 /nfs/dbraw/zinc/28/05/79/572280579.db2.gz HCEGVFHEBNPLJN-DHZHZOJOSA-N 1 2 547.721 4.673 40 0 KJABLO Cc1ccc(CN(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000408619326 572280588 /nfs/dbraw/zinc/28/05/88/572280588.db2.gz HHBPUHNUXSODAN-VMPITWQZSA-N 1 2 582.564 4.806 40 0 KJABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)c(C)c1 ZINC000408619421 572280617 /nfs/dbraw/zinc/28/06/17/572280617.db2.gz HUUKIXUADQORKT-XNTDXEJSSA-N 1 2 531.722 4.660 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2cccc(Cl)c2)cc1 ZINC000408620157 572281045 /nfs/dbraw/zinc/28/10/45/572281045.db2.gz KICHKFZVMDKYET-UXBLZVDNSA-N 1 2 538.113 4.697 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2Cl)cc1 ZINC000408620184 572281030 /nfs/dbraw/zinc/28/10/30/572281030.db2.gz KMPLOBCCHLGFPI-JXMROGBWSA-N 1 2 538.113 4.697 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccc(Br)cc2)cc1 ZINC000408620734 572281247 /nfs/dbraw/zinc/28/12/47/572281247.db2.gz LFHQHOMLEKKDBG-VMPITWQZSA-N 1 2 582.564 4.806 40 0 KJABLO O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408620743 572281253 /nfs/dbraw/zinc/28/12/53/572281253.db2.gz LKAVSVYBVYTIQD-RMKNXTFCSA-N 1 2 542.076 4.528 40 0 KJABLO Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000408620765 572281257 /nfs/dbraw/zinc/28/12/57/572281257.db2.gz LRVYAOLEXDWDLV-XNTDXEJSSA-N 1 2 545.749 4.703 40 0 KJABLO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408620808 572281367 /nfs/dbraw/zinc/28/13/67/572281367.db2.gz MJNNPUDSVWPQFZ-JXMROGBWSA-N 1 2 516.107 4.521 40 0 KJABLO Cc1ccccc1CN(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408620827 572281325 /nfs/dbraw/zinc/28/13/25/572281325.db2.gz MHFMIJYSVJUJDN-YRNVUSSQSA-N 1 2 538.113 4.697 40 0 KJABLO Cc1cccc(CN(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408620955 572281345 /nfs/dbraw/zinc/28/13/45/572281345.db2.gz NCZXUOYEXHNTFN-IZZDOVSWSA-N 1 2 538.113 4.697 40 0 KJABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccc(F)cc1 ZINC000408621427 572281545 /nfs/dbraw/zinc/28/15/45/572281545.db2.gz OBYAJQHTXQGMEC-HHHXNRCGSA-N 1 2 529.572 4.984 40 0 KJABLO CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccc(F)cc1 ZINC000408621444 572281506 /nfs/dbraw/zinc/28/15/06/572281506.db2.gz OBYAJQHTXQGMEC-MHZLTWQESA-N 1 2 529.572 4.984 40 0 KJABLO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408621700 572281765 /nfs/dbraw/zinc/28/17/65/572281765.db2.gz PFPAOAKIJGRMQI-JXMROGBWSA-N 1 2 560.558 4.630 40 0 KJABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000408621732 572281711 /nfs/dbraw/zinc/28/17/11/572281711.db2.gz NXNDSFIMEYFRRW-UHFFFAOYSA-N 1 2 523.486 4.513 40 0 KJABLO COc1ccc(OC)c(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cccc(OCc3ccc(C)cc3)c2)c1 ZINC000408622198 572281924 /nfs/dbraw/zinc/28/19/24/572281924.db2.gz BHUDHYUDSVBWRP-HHHXNRCGSA-N 1 2 511.582 4.763 40 0 KJABLO COc1ccc(OC)c(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cccc(OCc3ccc(C)cc3)c2)c1 ZINC000408622203 572281973 /nfs/dbraw/zinc/28/19/73/572281973.db2.gz BHUDHYUDSVBWRP-MHZLTWQESA-N 1 2 511.582 4.763 40 0 KJABLO O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408622204 572281968 /nfs/dbraw/zinc/28/19/68/572281968.db2.gz VANWKRODHSVSIJ-QSLVUSCOSA-N 1 2 511.691 4.975 40 0 KJABLO O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408622209 572281966 /nfs/dbraw/zinc/28/19/66/572281966.db2.gz VANWKRODHSVSIJ-WIZGORBTSA-N 1 2 511.691 4.975 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(C)cc2C)cc1 ZINC000408622240 572281919 /nfs/dbraw/zinc/28/19/19/572281919.db2.gz VFRINVHEHHZYOY-JXMROGBWSA-N 1 2 517.695 4.665 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2c(F)cccc2Cl)cc1 ZINC000408622615 572282106 /nfs/dbraw/zinc/28/21/06/572282106.db2.gz PPHCXCQRCMBRED-RMKNXTFCSA-N 1 2 556.103 4.836 40 0 KJABLO Cc1ccc(CN(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000408622616 572282280 /nfs/dbraw/zinc/28/22/80/572282280.db2.gz PQJLFFNVBXDVCV-DHZHZOJOSA-N 1 2 545.749 4.969 40 0 KJABLO Cc1ccc(CN(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408623334 572282608 /nfs/dbraw/zinc/28/26/08/572282608.db2.gz SMFUDXQUYBGRBD-VMPITWQZSA-N 1 2 538.113 4.697 40 0 KJABLO CCc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408624287 572282995 /nfs/dbraw/zinc/28/29/95/572282995.db2.gz SCNBEBHKYDBIBX-DHZHZOJOSA-N 1 2 547.721 4.619 40 0 KJABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C2CCCCC2)c(C)c1 ZINC000408624361 572282984 /nfs/dbraw/zinc/28/29/84/572282984.db2.gz SSAUSNJUWCANIK-JLHYYAGUSA-N 1 2 523.743 4.793 40 0 KJABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cc(C)cc(C)c1 ZINC000408624407 572283045 /nfs/dbraw/zinc/28/30/45/572283045.db2.gz UFRRVYVFHLBBCF-DHZHZOJOSA-N 1 2 547.721 4.673 40 0 KJABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000408624410 572283048 /nfs/dbraw/zinc/28/30/48/572283048.db2.gz UHGUECXSISQUDE-RMKNXTFCSA-N 1 2 554.112 4.710 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(C)cc(C)c2)cc1 ZINC000408624771 572283254 /nfs/dbraw/zinc/28/32/54/572283254.db2.gz UIKQICJODPMPHT-JXMROGBWSA-N 1 2 517.695 4.665 40 0 KJABLO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408624907 572283249 /nfs/dbraw/zinc/28/32/49/572283249.db2.gz VRUICFZGTYYEKI-QPJJXVBHSA-N 1 2 542.076 4.528 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(C)ccc2C)cc1 ZINC000408625519 572283507 /nfs/dbraw/zinc/28/35/07/572283507.db2.gz VKYVBYVENATQRY-JXMROGBWSA-N 1 2 517.695 4.665 40 0 KJABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408626055 572283653 /nfs/dbraw/zinc/28/36/53/572283653.db2.gz KSPRXQPMRKVFGP-VMPITWQZSA-N 1 2 547.765 4.778 40 0 KJABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C2CCCCC2)cc1Cl ZINC000408626415 572284021 /nfs/dbraw/zinc/28/40/21/572284021.db2.gz YTBNRPFURFPXNB-DHZHZOJOSA-N 1 2 546.133 4.530 40 0 KJABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000408626497 572283954 /nfs/dbraw/zinc/28/39/54/572283954.db2.gz ZDUKUUCXYAVTPP-JXMROGBWSA-N 1 2 584.138 4.719 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cccc(C)c2C)cc1 ZINC000408627272 572284206 /nfs/dbraw/zinc/28/42/06/572284206.db2.gz YYKUAXWSXCKOFQ-XYOKQWHBSA-N 1 2 517.695 4.665 40 0 KJABLO Cc1cccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000408627478 572284582 /nfs/dbraw/zinc/28/45/82/572284582.db2.gz ZZJKKBVHTVSZTI-UXBLZVDNSA-N 1 2 524.086 4.701 40 0 KJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cccc(OCc3ccc(C)cc3)c2)c(OC)c1 ZINC000408627789 572284721 /nfs/dbraw/zinc/28/47/21/572284721.db2.gz PVDSTTBOWCNXFF-HHHXNRCGSA-N 1 2 511.582 4.763 40 0 KJABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cccc(OCc3ccc(C)cc3)c2)c(OC)c1 ZINC000408627791 572284670 /nfs/dbraw/zinc/28/46/70/572284670.db2.gz PVDSTTBOWCNXFF-MHZLTWQESA-N 1 2 511.582 4.763 40 0 KJABLO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408627880 572284725 /nfs/dbraw/zinc/28/47/25/572284725.db2.gz QUEDCBUUJUYOPE-JXMROGBWSA-N 1 2 524.086 4.777 40 0 KJABLO Cc1ccc(N(Cc2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)S(C)(=O)=O)cc1C ZINC000408629464 572284972 /nfs/dbraw/zinc/28/49/72/572284972.db2.gz BPOBELMZFANXGI-JXMROGBWSA-N 1 2 517.695 4.741 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000408629635 572285251 /nfs/dbraw/zinc/28/52/51/572285251.db2.gz FLPAGQWBUQWWDS-VMPITWQZSA-N 1 2 524.086 4.701 40 0 KJABLO Cc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000408629675 572285220 /nfs/dbraw/zinc/28/52/20/572285220.db2.gz GAWDNVZCHITIJB-DHZHZOJOSA-N 1 2 524.086 4.701 40 0 KJABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2C)c1C ZINC000408629691 572285223 /nfs/dbraw/zinc/28/52/23/572285223.db2.gz GHHQFGNHFORVQF-XYOKQWHBSA-N 1 2 503.668 4.884 40 0 KJABLO CCOc1ccccc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408629747 572285377 /nfs/dbraw/zinc/28/53/77/572285377.db2.gz HFMOBEJQQIVKLS-FMIVXFBMSA-N 1 2 565.761 4.860 40 0 KJABLO CSc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(C)cc2)cc1 ZINC000408629809 572285458 /nfs/dbraw/zinc/28/54/58/572285458.db2.gz IICGPCKKOQGETE-RMKNXTFCSA-N 1 2 535.735 4.770 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000408630106 572285760 /nfs/dbraw/zinc/28/57/60/572285760.db2.gz NSCRBVKFJJUXBD-RMKNXTFCSA-N 1 2 524.086 4.701 40 0 KJABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000408630332 572286027 /nfs/dbraw/zinc/28/60/27/572286027.db2.gz RYJXFYXHDOTSTC-RMKNXTFCSA-N 1 2 554.112 4.710 40 0 KJABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(Br)cc2)cc1 ZINC000408630456 572286137 /nfs/dbraw/zinc/28/61/37/572286137.db2.gz UVMVZHCJADOHON-VMPITWQZSA-N 1 2 568.537 4.810 40 0 KJABLO O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408630668 572286429 /nfs/dbraw/zinc/28/64/29/572286429.db2.gz WUJQKAVELFWRPS-DHZHZOJOSA-N 1 2 554.510 4.502 40 0 KJABLO CCOc1ccccc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408631086 572286938 /nfs/dbraw/zinc/28/69/38/572286938.db2.gz ZTZWUIADCDNJDJ-DHZHZOJOSA-N 1 2 554.112 4.792 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408635926 572292843 /nfs/dbraw/zinc/29/28/43/572292843.db2.gz JRZAOCHHVNYXDL-UHFFFAOYSA-N 1 2 517.573 4.773 40 0 KJABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000408636147 572293043 /nfs/dbraw/zinc/29/30/43/572293043.db2.gz LWUQOVICVWYBQU-UHFFFAOYSA-N 1 2 517.695 4.717 40 0 KJABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408636699 572293559 /nfs/dbraw/zinc/29/35/59/572293559.db2.gz TVCKVIFOGBHLAY-UHFFFAOYSA-N 1 2 534.465 4.517 40 0 KJABLO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000408636888 572293809 /nfs/dbraw/zinc/29/38/09/572293809.db2.gz VOICCQSPYGETPK-RMKNXTFCSA-N 1 2 570.111 4.776 40 0 KJABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(C)c2)cc1C ZINC000408675090 572317788 /nfs/dbraw/zinc/31/77/88/572317788.db2.gz RHLDVGFBRYGFHB-JXMROGBWSA-N 1 2 533.694 4.649 40 0 KJABLO Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408678601 572319947 /nfs/dbraw/zinc/31/99/47/572319947.db2.gz TUIWVZLEOWUPTN-VMPITWQZSA-N 1 2 540.085 4.686 40 0 KJABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCCCCC1 ZINC000408693138 1066535567 /nfs/dbraw/zinc/53/55/67/1066535567.db2.gz JCEVVAAMQLUSEO-UHFFFAOYSA-N 1 2 547.721 4.807 40 0 KJABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)CC ZINC000408697511 1066549587 /nfs/dbraw/zinc/54/95/87/1066549587.db2.gz JYTUSRZTKFBFOW-UHFFFAOYSA-N 1 2 507.656 4.530 40 0 KJABLO O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000408713538 1066553404 /nfs/dbraw/zinc/55/34/04/1066553404.db2.gz GWJVNOURRMPFBW-UHFFFAOYSA-N 1 2 537.685 4.985 40 0 KJABLO COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3c2)cc1OC ZINC000408713576 1066553305 /nfs/dbraw/zinc/55/33/05/1066553305.db2.gz HUYVJDBHKYTEHG-UHFFFAOYSA-N 1 2 565.717 4.702 40 0 KJABLO CSc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCCC1 ZINC000408714726 1066550733 /nfs/dbraw/zinc/55/07/33/1066550733.db2.gz LOGHDAXCXUNCQF-UHFFFAOYSA-N 1 2 535.735 4.740 40 0 KJABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)CC1 ZINC000408748587 1066583745 /nfs/dbraw/zinc/58/37/45/1066583745.db2.gz FPZCNDIUMCGLCW-UHFFFAOYSA-N 1 2 545.690 4.667 40 0 KJABLO Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)cc1 ZINC000408748849 1066583277 /nfs/dbraw/zinc/58/32/77/1066583277.db2.gz IHSJDPSQEQTAJO-UHFFFAOYSA-N 1 2 559.717 4.975 40 0 KJABLO C[NH+]1CCN(C(=O)c2ccccc2C(=O)Nc2ccc3nc(SCC(=O)c4ccccc4)sc3c2)CC1 ZINC000408749096 1066582867 /nfs/dbraw/zinc/58/28/67/1066582867.db2.gz LHCVFCBXWAHGGO-UHFFFAOYSA-N 1 2 530.675 4.911 40 0 KJABLO Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000408749299 1066582672 /nfs/dbraw/zinc/58/26/72/1066582672.db2.gz NKECLWIIAQDZQY-UHFFFAOYSA-N 1 2 559.717 4.975 40 0 KJABLO COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)cc1 ZINC000408749750 1066582382 /nfs/dbraw/zinc/58/23/82/1066582382.db2.gz SWRBKNNNIGWYEC-UHFFFAOYSA-N 1 2 575.716 4.676 40 0 KJABLO COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000408749795 1066582776 /nfs/dbraw/zinc/58/27/76/1066582776.db2.gz ULAFRLUECBKZIV-UHFFFAOYSA-N 1 2 575.716 4.676 40 0 KJABLO Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CC[NH+](C)CC4)cc3s2)c1 ZINC000408750117 1066581890 /nfs/dbraw/zinc/58/18/90/1066581890.db2.gz XMWLZAJUTYSRCQ-UHFFFAOYSA-N 1 2 559.717 4.975 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000408922301 1066270075 /nfs/dbraw/zinc/27/00/75/1066270075.db2.gz ZEBKVDUBBRGQBB-UHFFFAOYSA-N 1 2 519.545 4.591 40 0 KJABLO O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000408924070 1066701373 /nfs/dbraw/zinc/70/13/73/1066701373.db2.gz NLBWZARTRKUHQZ-UHFFFAOYSA-N 1 2 501.608 4.725 40 0 KJABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000408960024 1066289344 /nfs/dbraw/zinc/28/93/44/1066289344.db2.gz ICGGYOHSGYOLTC-STZFKDTASA-N 1 2 525.428 4.981 40 0 KJABLO O=C(Nc1ccc2nc3c(nc2c1)CCCC3)c1ccc(OC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000408975571 1066746439 /nfs/dbraw/zinc/74/64/39/1066746439.db2.gz NEDRYSMVCKPLBW-UHFFFAOYSA-N 1 2 524.650 4.642 40 0 KJABLO S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000408979145 1066754541 /nfs/dbraw/zinc/75/45/41/1066754541.db2.gz PBEWEYKOAHRLEZ-UHFFFAOYSA-N 1 2 504.623 4.668 40 0 KJABLO Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)N1CC[NH+](C)CC1 ZINC000585266505 1066377294 /nfs/dbraw/zinc/37/72/94/1066377294.db2.gz AWJIXRPYXJNDFY-HHHXNRCGSA-N 1 2 504.078 4.953 40 0 KJABLO Cc1ccccc1CCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)N1CC[NH+](C)CC1 ZINC000585266506 1066377867 /nfs/dbraw/zinc/37/78/67/1066377867.db2.gz AWJIXRPYXJNDFY-MHZLTWQESA-N 1 2 504.078 4.953 40 0 KJABLO CO[C@@]1(COc2cccc(Cl)c2)COCC[N@@H+](Cc2cccc(OCCCn3ccnc3C)c2)C1 ZINC000585270300 1066379596 /nfs/dbraw/zinc/37/95/96/1066379596.db2.gz BFUQZWGQNQZMTE-HHHXNRCGSA-N 1 2 500.039 4.610 40 0 KJABLO CO[C@@]1(COc2cccc(Cl)c2)COCC[N@H+](Cc2cccc(OCCCn3ccnc3C)c2)C1 ZINC000585270300 1066379579 /nfs/dbraw/zinc/37/95/79/1066379579.db2.gz BFUQZWGQNQZMTE-HHHXNRCGSA-N 1 2 500.039 4.610 40 0 KJABLO CO[C@]1(COc2cccc(Cl)c2)COCC[N@@H+](Cc2cccc(OCCCn3ccnc3C)c2)C1 ZINC000585270308 1066379429 /nfs/dbraw/zinc/37/94/29/1066379429.db2.gz BFUQZWGQNQZMTE-MHZLTWQESA-N 1 2 500.039 4.610 40 0 KJABLO CO[C@]1(COc2cccc(Cl)c2)COCC[N@H+](Cc2cccc(OCCCn3ccnc3C)c2)C1 ZINC000585270308 1066379415 /nfs/dbraw/zinc/37/94/15/1066379415.db2.gz BFUQZWGQNQZMTE-MHZLTWQESA-N 1 2 500.039 4.610 40 0 KJABLO CCc1[nH+]ccn1CCCOc1ccc(CN2CCOC[C@](COc3cccc(Cl)c3)(OC)C2)cc1OC ZINC000585272862 1066383882 /nfs/dbraw/zinc/38/38/82/1066383882.db2.gz OYUOHHVEMYLUIH-GDLZYMKVSA-N 1 2 544.092 4.873 40 0 KJABLO CCc1[nH+]ccn1CCCOc1ccc(CN2CCOC[C@@](COc3cccc(Cl)c3)(OC)C2)cc1OC ZINC000585272867 1066383132 /nfs/dbraw/zinc/38/31/32/1066383132.db2.gz OYUOHHVEMYLUIH-LJAQVGFWSA-N 1 2 544.092 4.873 40 0 KJABLO CO[C@@]1(COc2cccc(Cl)c2)COCC[N@@H+](Cc2ccc(OCCCn3ccnc3C)cc2)C1 ZINC000585273537 1066386055 /nfs/dbraw/zinc/38/60/55/1066386055.db2.gz PEPPRQVTJMJVGE-HHHXNRCGSA-N 1 2 500.039 4.610 40 0 KJABLO CO[C@@]1(COc2cccc(Cl)c2)COCC[N@H+](Cc2ccc(OCCCn3ccnc3C)cc2)C1 ZINC000585273537 1066386042 /nfs/dbraw/zinc/38/60/42/1066386042.db2.gz PEPPRQVTJMJVGE-HHHXNRCGSA-N 1 2 500.039 4.610 40 0 KJABLO CO[C@]1(COc2cccc(Cl)c2)COCC[N@@H+](Cc2ccc(OCCCn3ccnc3C)cc2)C1 ZINC000585273540 1066385980 /nfs/dbraw/zinc/38/59/80/1066385980.db2.gz PEPPRQVTJMJVGE-MHZLTWQESA-N 1 2 500.039 4.610 40 0 KJABLO CO[C@]1(COc2cccc(Cl)c2)COCC[N@H+](Cc2ccc(OCCCn3ccnc3C)cc2)C1 ZINC000585273540 1066385945 /nfs/dbraw/zinc/38/59/45/1066385945.db2.gz PEPPRQVTJMJVGE-MHZLTWQESA-N 1 2 500.039 4.610 40 0 KJABLO COc1ccc(CN2CCOC[C@](COc3cccc(Cl)c3)(OC)C2)cc1OCCCn1cc[nH+]c1C ZINC000585274468 1066385780 /nfs/dbraw/zinc/38/57/80/1066385780.db2.gz YIBSPKLVOPBKJX-MUUNZHRXSA-N 1 2 530.065 4.619 40 0 KJABLO COc1ccc(CN2CCOC[C@@](COc3cccc(Cl)c3)(OC)C2)cc1OCCCn1cc[nH+]c1C ZINC000585274469 1066385436 /nfs/dbraw/zinc/38/54/36/1066385436.db2.gz YIBSPKLVOPBKJX-NDEPHWFRSA-N 1 2 530.065 4.619 40 0 KJABLO CCOc1ccccc1C[N@H+]1CCO[C@@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(NC(C)=O)CC2)C1 ZINC000585285550 1066390973 /nfs/dbraw/zinc/39/09/73/1066390973.db2.gz KLTLPKAFJTWOSR-HKBQPEDESA-N 1 2 572.146 4.523 40 0 KJABLO CCOc1ccccc1C[N@@H+]1CCO[C@@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(NC(C)=O)CC2)C1 ZINC000585285550 1066390929 /nfs/dbraw/zinc/39/09/29/1066390929.db2.gz KLTLPKAFJTWOSR-HKBQPEDESA-N 1 2 572.146 4.523 40 0 KJABLO CCOc1ccccc1C[N@H+]1CCO[C@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(NC(C)=O)CC2)C1 ZINC000585285553 1066390742 /nfs/dbraw/zinc/39/07/42/1066390742.db2.gz KLTLPKAFJTWOSR-WJOKGBTCSA-N 1 2 572.146 4.523 40 0 KJABLO CCOc1ccccc1C[N@@H+]1CCO[C@](COc2cc(C)c(Cl)c(C)c2)(CC(=O)N2CCC(NC(C)=O)CC2)C1 ZINC000585285553 1066390729 /nfs/dbraw/zinc/39/07/29/1066390729.db2.gz KLTLPKAFJTWOSR-WJOKGBTCSA-N 1 2 572.146 4.523 40 0 KJABLO CCCOc1ccc(C[N@H+]2CCO[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(NC(C)=O)CC3)C2)cc1 ZINC000585286990 1066389469 /nfs/dbraw/zinc/38/94/69/1066389469.db2.gz YQUGSFJTQVNSJO-JGCGQSQUSA-N 1 2 586.173 4.913 40 0 KJABLO CCCOc1ccc(C[N@@H+]2CCO[C@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(NC(C)=O)CC3)C2)cc1 ZINC000585286990 1066389454 /nfs/dbraw/zinc/38/94/54/1066389454.db2.gz YQUGSFJTQVNSJO-JGCGQSQUSA-N 1 2 586.173 4.913 40 0 KJABLO CCCOc1ccc(C[N@H+]2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(NC(C)=O)CC3)C2)cc1 ZINC000585286993 1066389561 /nfs/dbraw/zinc/38/95/61/1066389561.db2.gz YQUGSFJTQVNSJO-YTTGMZPUSA-N 1 2 586.173 4.913 40 0 KJABLO CCCOc1ccc(C[N@@H+]2CCO[C@@](COc3cc(C)c(Cl)c(C)c3)(CC(=O)N3CCC(NC(C)=O)CC3)C2)cc1 ZINC000585286993 1066389542 /nfs/dbraw/zinc/38/95/42/1066389542.db2.gz YQUGSFJTQVNSJO-YTTGMZPUSA-N 1 2 586.173 4.913 40 0 KJABLO CC1(C)COCCC[C@H]2C[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534612536 1067200636 /nfs/dbraw/zinc/20/06/36/1067200636.db2.gz IJOAMAMYCVWTGW-NSVAZKTRSA-N 1 2 598.797 4.770 40 0 KJABLO CC1(C)COCCC[C@H]2C[N@H+](Cc3ccc(S(C)(=O)=O)cc3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001534612536 1067200628 /nfs/dbraw/zinc/20/06/28/1067200628.db2.gz IJOAMAMYCVWTGW-NSVAZKTRSA-N 1 2 598.797 4.770 40 0 KJABLO