smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC000001105751 551610136 /nfs/dbraw/zinc/61/01/36/551610136.db2.gz MMIMQCFDVLMFGS-DEOSSOPVSA-N 1 2 538.601 3.475 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001105751 551610134 /nfs/dbraw/zinc/61/01/34/551610134.db2.gz MMIMQCFDVLMFGS-DEOSSOPVSA-N 1 2 538.601 3.475 50 30 KGEALO O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(F)cc1 ZINC000001105752 551610156 /nfs/dbraw/zinc/61/01/56/551610156.db2.gz MMIMQCFDVLMFGS-XMMPIXPASA-N 1 2 538.601 3.475 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001105752 551610153 /nfs/dbraw/zinc/61/01/53/551610153.db2.gz MMIMQCFDVLMFGS-XMMPIXPASA-N 1 2 538.601 3.475 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000001110176 551611089 /nfs/dbraw/zinc/61/10/89/551611089.db2.gz VEOJJKBKFOPHCB-QFIPXVFZSA-N 1 2 529.387 3.478 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCO2 ZINC000001110177 551611092 /nfs/dbraw/zinc/61/10/92/551611092.db2.gz VEOJJKBKFOPHCB-JOCHJYFZSA-N 1 2 529.387 3.478 50 30 KGEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000001111856 551611551 /nfs/dbraw/zinc/61/15/51/551611551.db2.gz RSAIIKAHHANRHM-VWLOTQADSA-N 1 2 531.569 3.390 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)c1C ZINC000001451588 552077978 /nfs/dbraw/zinc/07/79/78/552077978.db2.gz WVAOMKMXTFLHHB-QFIPXVFZSA-N 1 2 560.445 3.481 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000001451589 552078006 /nfs/dbraw/zinc/07/80/06/552078006.db2.gz WVAOMKMXTFLHHB-JOCHJYFZSA-N 1 2 560.445 3.481 50 30 KGEALO COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1OC ZINC000001451670 552078029 /nfs/dbraw/zinc/07/80/29/552078029.db2.gz CHWQULIUUZWDTH-SANMLTNESA-N 1 2 546.624 3.499 50 30 KGEALO COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1OC ZINC000001451671 552078065 /nfs/dbraw/zinc/07/80/65/552078065.db2.gz CHWQULIUUZWDTH-AREMUKBSSA-N 1 2 546.624 3.499 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000001451672 552077987 /nfs/dbraw/zinc/07/79/87/552077987.db2.gz UNGAXKMNAYESGH-MHZLTWQESA-N 1 2 546.624 3.499 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000001451673 552077925 /nfs/dbraw/zinc/07/79/25/552077925.db2.gz UNGAXKMNAYESGH-HHHXNRCGSA-N 1 2 546.624 3.499 50 30 KGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000001451674 552077908 /nfs/dbraw/zinc/07/79/08/552077908.db2.gz LXRUWJAEVKATQY-MHZLTWQESA-N 1 2 546.624 3.499 50 30 KGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000001451675 552077921 /nfs/dbraw/zinc/07/79/21/552077921.db2.gz LXRUWJAEVKATQY-HHHXNRCGSA-N 1 2 546.624 3.499 50 30 KGEALO C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)SC1=S ZINC000002390595 552108892 /nfs/dbraw/zinc/10/88/92/552108892.db2.gz AORIHDHOSHPHNF-HAHDFKILSA-N 1 2 561.689 3.441 50 30 KGEALO COc1ccc([C@H]2c3c(=N)n(CCC[NH+]4CCOCC4)cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002404030 552112047 /nfs/dbraw/zinc/11/20/47/552112047.db2.gz UDKRFQIPMORHAR-HSZRJFAPSA-N 1 2 508.619 3.270 50 30 KGEALO COc1ccc([C@@H]2c3c(=N)n(CCC[NH+]4CCOCC4)cnc3OC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000002404031 552112024 /nfs/dbraw/zinc/11/20/24/552112024.db2.gz UDKRFQIPMORHAR-QHCPKHFHSA-N 1 2 508.619 3.270 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(F)c2)c1C ZINC000004391665 552458408 /nfs/dbraw/zinc/45/84/08/552458408.db2.gz KXFAFUNPGLMTAR-QHCPKHFHSA-N 1 2 513.566 3.248 50 30 KGEALO CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000006173481 552558966 /nfs/dbraw/zinc/55/89/66/552558966.db2.gz PLWAMMJMZRXSNN-QHCPKHFHSA-N 1 2 592.512 3.000 50 30 KGEALO CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006173482 552558987 /nfs/dbraw/zinc/55/89/87/552558987.db2.gz PLWAMMJMZRXSNN-HSZRJFAPSA-N 1 2 592.512 3.000 50 30 KGEALO C[NH+]=C(Nc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000008425120 553015059 /nfs/dbraw/zinc/01/50/59/553015059.db2.gz PTRCKDOGLIXWIH-MRXNPFEDSA-N 1 2 509.325 3.292 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000008779441 553144200 /nfs/dbraw/zinc/14/42/00/553144200.db2.gz NKDCAQHQOHJBBL-OAQYLSRUSA-N 1 2 502.589 3.075 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000008779442 553144223 /nfs/dbraw/zinc/14/42/23/553144223.db2.gz NKDCAQHQOHJBBL-NRFANRHFSA-N 1 2 502.589 3.075 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000008827250 553156781 /nfs/dbraw/zinc/15/67/81/553156781.db2.gz VFJUDFBBIWFYFM-JOCHJYFZSA-N 1 2 515.994 3.372 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C ZINC000008827251 553156701 /nfs/dbraw/zinc/15/67/01/553156701.db2.gz VFJUDFBBIWFYFM-QFIPXVFZSA-N 1 2 515.994 3.372 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)cc2)c1C ZINC000008827325 553156734 /nfs/dbraw/zinc/15/67/34/553156734.db2.gz KWICKKWVUNXJER-XMMPIXPASA-N 1 2 509.603 3.417 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)cc2)c1C ZINC000008827326 553156648 /nfs/dbraw/zinc/15/66/48/553156648.db2.gz KWICKKWVUNXJER-DEOSSOPVSA-N 1 2 509.603 3.417 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2F)c1C ZINC000008827327 553156763 /nfs/dbraw/zinc/15/67/63/553156763.db2.gz CGUWHZHNHPPSSF-HSZRJFAPSA-N 1 2 513.566 3.248 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2F)c1C ZINC000008827328 553156685 /nfs/dbraw/zinc/15/66/85/553156685.db2.gz CGUWHZHNHPPSSF-QHCPKHFHSA-N 1 2 513.566 3.248 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)c1C ZINC000008836937 553163547 /nfs/dbraw/zinc/16/35/47/553163547.db2.gz RTGGOSJUYOXOBU-NRFANRHFSA-N 1 2 501.605 3.170 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)c1C ZINC000008836938 553163561 /nfs/dbraw/zinc/16/35/61/553163561.db2.gz RTGGOSJUYOXOBU-OAQYLSRUSA-N 1 2 501.605 3.170 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(OC)c2OC)c(C)c1 ZINC000008837360 553164082 /nfs/dbraw/zinc/16/40/82/553164082.db2.gz PCBPDHVASDDKAJ-DEOSSOPVSA-N 1 2 510.587 3.321 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c(C)c1 ZINC000008837361 553164016 /nfs/dbraw/zinc/16/40/16/553164016.db2.gz PCBPDHVASDDKAJ-XMMPIXPASA-N 1 2 510.587 3.321 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2OC)c1C ZINC000008837381 553164000 /nfs/dbraw/zinc/16/40/00/553164000.db2.gz LJCSHRUKYNMMRC-XMMPIXPASA-N 1 2 525.602 3.117 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000008837516 553164005 /nfs/dbraw/zinc/16/40/05/553164005.db2.gz ANURTICUQCQNEB-JOCHJYFZSA-N 1 2 515.994 3.372 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000008837618 553164020 /nfs/dbraw/zinc/16/40/20/553164020.db2.gz BPGOCBFJKQUJRC-NRFANRHFSA-N 1 2 501.605 3.078 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000008837619 553164060 /nfs/dbraw/zinc/16/40/60/553164060.db2.gz BPGOCBFJKQUJRC-OAQYLSRUSA-N 1 2 501.605 3.078 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000008838145 553164933 /nfs/dbraw/zinc/16/49/33/553164933.db2.gz ZSGVKLCFAMGGFL-RUZDIDTESA-N 1 2 510.587 3.321 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008857652 553168316 /nfs/dbraw/zinc/16/83/16/553168316.db2.gz YRECSYTVXBIIHK-XMMPIXPASA-N 1 2 507.543 3.460 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008857653 553168326 /nfs/dbraw/zinc/16/83/26/553168326.db2.gz YRECSYTVXBIIHK-DEOSSOPVSA-N 1 2 507.543 3.460 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008857754 553168274 /nfs/dbraw/zinc/16/82/74/553168274.db2.gz BNLLJFJWRRTWBA-RUZDIDTESA-N 1 2 510.587 3.403 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008857755 553168346 /nfs/dbraw/zinc/16/83/46/553168346.db2.gz BNLLJFJWRRTWBA-VWLOTQADSA-N 1 2 510.587 3.403 50 30 KGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000008858339 553169017 /nfs/dbraw/zinc/16/90/17/553169017.db2.gz LEFWJDONRBXBMZ-XMMPIXPASA-N 1 2 526.586 3.022 50 30 KGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000008858340 553168998 /nfs/dbraw/zinc/16/89/98/553168998.db2.gz LEFWJDONRBXBMZ-DEOSSOPVSA-N 1 2 526.586 3.022 50 30 KGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008859467 553169619 /nfs/dbraw/zinc/16/96/19/553169619.db2.gz IWFCSJCTTCMNHT-OAQYLSRUSA-N 1 2 501.605 3.078 50 30 KGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008859468 553169546 /nfs/dbraw/zinc/16/95/46/553169546.db2.gz IWFCSJCTTCMNHT-NRFANRHFSA-N 1 2 501.605 3.078 50 30 KGEALO COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1OC ZINC000008859471 553169637 /nfs/dbraw/zinc/16/96/37/553169637.db2.gz UYAOJYKVEMTLOK-HXUWFJFHSA-N 1 2 501.605 3.078 50 30 KGEALO COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1OC ZINC000008859472 553169646 /nfs/dbraw/zinc/16/96/46/553169646.db2.gz UYAOJYKVEMTLOK-FQEVSTJZSA-N 1 2 501.605 3.078 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000008859480 553169651 /nfs/dbraw/zinc/16/96/51/553169651.db2.gz FDRLHVVRFKPDBC-OAQYLSRUSA-N 1 2 531.631 3.086 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000008859481 553169667 /nfs/dbraw/zinc/16/96/67/553169667.db2.gz FDRLHVVRFKPDBC-NRFANRHFSA-N 1 2 531.631 3.086 50 30 KGEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000008892474 553176788 /nfs/dbraw/zinc/17/67/88/553176788.db2.gz YCKZVTDBXYTOAS-RUZDIDTESA-N 1 2 510.587 3.403 50 30 KGEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000008892475 553176818 /nfs/dbraw/zinc/17/68/18/553176818.db2.gz YCKZVTDBXYTOAS-VWLOTQADSA-N 1 2 510.587 3.403 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008892476 553176751 /nfs/dbraw/zinc/17/67/51/553176751.db2.gz SUQMMBFKXQDYFD-XMMPIXPASA-N 1 2 507.543 3.460 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008892477 553176736 /nfs/dbraw/zinc/17/67/36/553176736.db2.gz SUQMMBFKXQDYFD-DEOSSOPVSA-N 1 2 507.543 3.460 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c(C)c1 ZINC000008893194 553176995 /nfs/dbraw/zinc/17/69/95/553176995.db2.gz LWLOAUPDPVEOFG-VWLOTQADSA-N 1 2 510.587 3.321 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c(C)c1 ZINC000008893202 553177026 /nfs/dbraw/zinc/17/70/26/553177026.db2.gz LWLOAUPDPVEOFG-RUZDIDTESA-N 1 2 510.587 3.321 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008897088 553179394 /nfs/dbraw/zinc/17/93/94/553179394.db2.gz JOXHDQZDWYVSRZ-RUZDIDTESA-N 1 2 508.571 3.157 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008897095 553179332 /nfs/dbraw/zinc/17/93/32/553179332.db2.gz JOXHDQZDWYVSRZ-VWLOTQADSA-N 1 2 508.571 3.157 50 30 KGEALO COc1ccccc1[C@@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000008897612 553179826 /nfs/dbraw/zinc/17/98/26/553179826.db2.gz FORBCDQENLKYGO-AREMUKBSSA-N 1 2 516.598 3.490 50 30 KGEALO COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008897618 553179883 /nfs/dbraw/zinc/17/98/83/553179883.db2.gz GEBFFQRTRJKEAW-AREMUKBSSA-N 1 2 516.598 3.490 50 30 KGEALO COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008897625 553179802 /nfs/dbraw/zinc/17/98/02/553179802.db2.gz GEBFFQRTRJKEAW-SANMLTNESA-N 1 2 516.598 3.490 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008897630 553179819 /nfs/dbraw/zinc/17/98/19/553179819.db2.gz VVVJYKKEPRTRPN-AREMUKBSSA-N 1 2 516.598 3.490 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000008897636 553179873 /nfs/dbraw/zinc/17/98/73/553179873.db2.gz VVVJYKKEPRTRPN-SANMLTNESA-N 1 2 516.598 3.490 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2OC)c1C ZINC000008901463 553182147 /nfs/dbraw/zinc/18/21/47/553182147.db2.gz LJCSHRUKYNMMRC-DEOSSOPVSA-N 1 2 525.602 3.117 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000008904557 553183702 /nfs/dbraw/zinc/18/37/02/553183702.db2.gz ZSGVKLCFAMGGFL-VWLOTQADSA-N 1 2 510.587 3.321 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)c1C ZINC000008905480 553183715 /nfs/dbraw/zinc/18/37/15/553183715.db2.gz WKNPADFRNKSFHQ-QHCPKHFHSA-N 1 2 513.566 3.248 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C ZINC000008905484 553184096 /nfs/dbraw/zinc/18/40/96/553184096.db2.gz WKNPADFRNKSFHQ-HSZRJFAPSA-N 1 2 513.566 3.248 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(F)c2)c1C ZINC000008934755 553193234 /nfs/dbraw/zinc/19/32/34/553193234.db2.gz KXFAFUNPGLMTAR-HSZRJFAPSA-N 1 2 513.566 3.248 50 30 KGEALO COc1ccccc1[C@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000008934774 553193275 /nfs/dbraw/zinc/19/32/75/553193275.db2.gz FORBCDQENLKYGO-SANMLTNESA-N 1 2 516.598 3.490 50 30 KGEALO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008996330 553197269 /nfs/dbraw/zinc/19/72/69/553197269.db2.gz IHHFNGPHPFUHDJ-CJJGVWJISA-N 1 2 520.582 3.167 50 30 KGEALO C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000008996331 553197197 /nfs/dbraw/zinc/19/71/97/553197197.db2.gz IHHFNGPHPFUHDJ-CZNAVJSXSA-N 1 2 520.582 3.167 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009008618 553198946 /nfs/dbraw/zinc/19/89/46/553198946.db2.gz HFMSUHXLJGFMPV-CJJGVWJISA-N 1 2 522.598 3.413 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009008619 553198973 /nfs/dbraw/zinc/19/89/73/553198973.db2.gz HFMSUHXLJGFMPV-CZNAVJSXSA-N 1 2 522.598 3.413 50 30 KGEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000009019396 553200957 /nfs/dbraw/zinc/20/09/57/553200957.db2.gz LIFHHYJKLXNWNP-RUZDIDTESA-N 1 2 510.587 3.409 50 30 KGEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000009019945 553201264 /nfs/dbraw/zinc/20/12/64/553201264.db2.gz LIFHHYJKLXNWNP-VWLOTQADSA-N 1 2 510.587 3.409 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C ZINC000009041492 553202286 /nfs/dbraw/zinc/20/22/86/553202286.db2.gz YZTXEXVWWOKDGO-XMMPIXPASA-N 1 2 525.602 3.117 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009042306 553202627 /nfs/dbraw/zinc/20/26/27/553202627.db2.gz JFCIMDOIAHWLLD-KQAPWQHSSA-N 1 2 504.587 3.185 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009042309 553202655 /nfs/dbraw/zinc/20/26/55/553202655.db2.gz JFCIMDOIAHWLLD-QKJBWNOYSA-N 1 2 504.587 3.185 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000009086205 553208264 /nfs/dbraw/zinc/20/82/64/553208264.db2.gz ZAJXLEBHFVWIIF-RUZDIDTESA-N 1 2 510.587 3.321 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000009086206 553208359 /nfs/dbraw/zinc/20/83/59/553208359.db2.gz ZAJXLEBHFVWIIF-VWLOTQADSA-N 1 2 510.587 3.321 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(OC)c2)c1C ZINC000009122180 553212063 /nfs/dbraw/zinc/21/20/63/553212063.db2.gz WLSSYNPWKJJAJT-DEOSSOPVSA-N 1 2 525.602 3.117 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C ZINC000009122181 553212082 /nfs/dbraw/zinc/21/20/82/553212082.db2.gz WLSSYNPWKJJAJT-XMMPIXPASA-N 1 2 525.602 3.117 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C ZINC000009135508 553213427 /nfs/dbraw/zinc/21/34/27/553213427.db2.gz YZTXEXVWWOKDGO-DEOSSOPVSA-N 1 2 525.602 3.117 50 30 KGEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn32)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009177866 553216624 /nfs/dbraw/zinc/21/66/24/553216624.db2.gz LLZYWRZYUPYJNV-ZZIWUOEGSA-N 1 2 522.602 3.432 50 30 KGEALO CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn32)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009177877 553216592 /nfs/dbraw/zinc/21/65/92/553216592.db2.gz LLZYWRZYUPYJNV-UVDRRRQGSA-N 1 2 522.602 3.432 50 30 KGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000009235536 553225449 /nfs/dbraw/zinc/22/54/49/553225449.db2.gz PVYCVNQIMFSEDG-VWLOTQADSA-N 1 2 510.587 3.321 50 30 KGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000009235538 553225352 /nfs/dbraw/zinc/22/53/52/553225352.db2.gz PVYCVNQIMFSEDG-RUZDIDTESA-N 1 2 510.587 3.321 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000009271476 553231014 /nfs/dbraw/zinc/23/10/14/553231014.db2.gz CEKSCKVJBJJZQL-QHCPKHFHSA-N 1 2 522.558 3.300 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000009271477 553231082 /nfs/dbraw/zinc/23/10/82/553231082.db2.gz CEKSCKVJBJJZQL-HSZRJFAPSA-N 1 2 522.558 3.300 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)c1C ZINC000009271559 553231090 /nfs/dbraw/zinc/23/10/90/553231090.db2.gz VITBVRCLYJATSX-IBGZPJMESA-N 1 2 504.381 3.321 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)c1C ZINC000009271560 553231053 /nfs/dbraw/zinc/23/10/53/553231053.db2.gz VITBVRCLYJATSX-LJQANCHMSA-N 1 2 504.381 3.321 50 30 KGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009311956 553239941 /nfs/dbraw/zinc/23/99/41/553239941.db2.gz VYKPPBYHJMJOMU-SIBVEZHUSA-N 1 2 505.615 3.377 50 30 KGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009311957 553239867 /nfs/dbraw/zinc/23/98/67/553239867.db2.gz VYKPPBYHJMJOMU-NIYFSFCBSA-N 1 2 505.615 3.377 50 30 KGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009311958 553239857 /nfs/dbraw/zinc/23/98/57/553239857.db2.gz VYKPPBYHJMJOMU-AFMDSPMNSA-N 1 2 505.615 3.377 50 30 KGEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009312287 553240346 /nfs/dbraw/zinc/24/03/46/553240346.db2.gz ZGMXJAZKDVKDDR-CJJGVWJISA-N 1 2 520.582 3.167 50 30 KGEALO COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009312427 553240330 /nfs/dbraw/zinc/24/03/30/553240330.db2.gz RLTQMTKFNLEVBY-BVZFJXPGSA-N 1 2 520.582 3.097 50 30 KGEALO COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1OC ZINC000009312846 553240716 /nfs/dbraw/zinc/24/07/16/553240716.db2.gz VMNOZWAWLPWGOD-HSZRJFAPSA-N 1 2 505.527 3.340 50 30 KGEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000009312907 553240710 /nfs/dbraw/zinc/24/07/10/553240710.db2.gz IFABLQCFUDOIQD-NPJIAGGLSA-N 1 2 510.587 3.252 50 30 KGEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000009312908 553240704 /nfs/dbraw/zinc/24/07/04/553240704.db2.gz IFABLQCFUDOIQD-IUKMQXEJSA-N 1 2 510.587 3.252 50 30 KGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000009312956 553240734 /nfs/dbraw/zinc/24/07/34/553240734.db2.gz VYKPPBYHJMJOMU-BCHFMIIMSA-N 1 2 505.615 3.377 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000009312998 553240940 /nfs/dbraw/zinc/24/09/40/553240940.db2.gz KOSZRMIHTFCKMR-XMMPIXPASA-N 1 2 505.527 3.340 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000009312999 553241004 /nfs/dbraw/zinc/24/10/04/553241004.db2.gz KOSZRMIHTFCKMR-DEOSSOPVSA-N 1 2 505.527 3.340 50 30 KGEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009313072 553240954 /nfs/dbraw/zinc/24/09/54/553240954.db2.gz ZGMXJAZKDVKDDR-CZNAVJSXSA-N 1 2 520.582 3.167 50 30 KGEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009354192 553245775 /nfs/dbraw/zinc/24/57/75/553245775.db2.gz JVTKDUMDWUJELT-CJJGVWJISA-N 1 2 522.598 3.391 50 30 KGEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000009354195 553245743 /nfs/dbraw/zinc/24/57/43/553245743.db2.gz JVTKDUMDWUJELT-CZNAVJSXSA-N 1 2 522.598 3.391 50 30 KGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009354274 553245790 /nfs/dbraw/zinc/24/57/90/553245790.db2.gz HRQOTIWGLZHLTA-XMMPIXPASA-N 1 2 505.527 3.340 50 30 KGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000009354278 553245721 /nfs/dbraw/zinc/24/57/21/553245721.db2.gz HRQOTIWGLZHLTA-DEOSSOPVSA-N 1 2 505.527 3.340 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009357067 553246764 /nfs/dbraw/zinc/24/67/64/553246764.db2.gz GOIXTTBREZRLLD-NPJIAGGLSA-N 1 2 508.571 3.110 50 30 KGEALO CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000009358284 553247552 /nfs/dbraw/zinc/24/75/52/553247552.db2.gz IPQAFDALZBWOAA-YCRBRLKKSA-N 1 2 515.566 3.098 50 30 KGEALO CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000009358287 553247583 /nfs/dbraw/zinc/24/75/83/553247583.db2.gz IPQAFDALZBWOAA-QAMYEIQESA-N 1 2 515.566 3.098 50 30 KGEALO COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1OC ZINC000009374206 553250720 /nfs/dbraw/zinc/25/07/20/553250720.db2.gz VMNOZWAWLPWGOD-QHCPKHFHSA-N 1 2 505.527 3.340 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000009374455 553250645 /nfs/dbraw/zinc/25/06/45/553250645.db2.gz NDESTHACKGKXRO-DEOSSOPVSA-N 1 2 505.527 3.340 50 30 KGEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000009425184 553259310 /nfs/dbraw/zinc/25/93/10/553259310.db2.gz SRTQXXAWXKMJKQ-XMMPIXPASA-N 1 2 505.527 3.427 50 30 KGEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000009425185 553259323 /nfs/dbraw/zinc/25/93/23/553259323.db2.gz SRTQXXAWXKMJKQ-DEOSSOPVSA-N 1 2 505.527 3.427 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009436079 553264363 /nfs/dbraw/zinc/26/43/63/553264363.db2.gz GOIXTTBREZRLLD-IUKMQXEJSA-N 1 2 508.571 3.110 50 30 KGEALO COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000009456038 553266316 /nfs/dbraw/zinc/26/63/16/553266316.db2.gz DZGPUHJTZZLQLV-HSZRJFAPSA-N 1 2 503.511 3.110 50 30 KGEALO COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1 ZINC000009456042 553266301 /nfs/dbraw/zinc/26/63/01/553266301.db2.gz DZGPUHJTZZLQLV-QHCPKHFHSA-N 1 2 503.511 3.110 50 30 KGEALO C=CCOc1ccccc1C[N@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)Nc1ccc2c(c1)COC2 ZINC000011787990 553343099 /nfs/dbraw/zinc/34/30/99/553343099.db2.gz FTIBBBJWGWMZHJ-VWNXMTODSA-N 1 2 503.559 3.114 50 30 KGEALO C=CCOc1ccccc1C[N@@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)Nc1ccc2c(c1)COC2 ZINC000011787990 553343098 /nfs/dbraw/zinc/34/30/98/553343098.db2.gz FTIBBBJWGWMZHJ-VWNXMTODSA-N 1 2 503.559 3.114 50 30 KGEALO CCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)C)C1 ZINC000012411509 553363364 /nfs/dbraw/zinc/36/33/64/553363364.db2.gz XFMAJJIWZLOLRF-ZFOBRQHDSA-N 1 2 530.651 3.376 50 30 KGEALO CCN(CC)C(=O)[C@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)C)C1 ZINC000012411510 553363422 /nfs/dbraw/zinc/36/34/22/553363422.db2.gz XFMAJJIWZLOLRF-UBYGEMSKSA-N 1 2 530.651 3.376 50 30 KGEALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1 ZINC000012421509 553365808 /nfs/dbraw/zinc/36/58/08/553365808.db2.gz HZHOSHZVMGYLRW-HXUWFJFHSA-N 1 2 512.031 3.457 50 30 KGEALO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)CON=C2c3ccccc3-c3ccccc32)CC1 ZINC000012421510 553365829 /nfs/dbraw/zinc/36/58/29/553365829.db2.gz HZHOSHZVMGYLRW-FQEVSTJZSA-N 1 2 512.031 3.457 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c(OC)c1 ZINC000012615746 553402764 /nfs/dbraw/zinc/40/27/64/553402764.db2.gz RHEZZPHGUBDNII-VWLOTQADSA-N 1 2 510.587 3.321 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c(OC)c1 ZINC000012615749 553402752 /nfs/dbraw/zinc/40/27/52/553402752.db2.gz RHEZZPHGUBDNII-RUZDIDTESA-N 1 2 510.587 3.321 50 30 KGEALO C[C@@H](Sc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000013097397 553446604 /nfs/dbraw/zinc/44/66/04/553446604.db2.gz AFDIYDLKIUOYAO-OAQYLSRUSA-N 1 2 527.716 3.411 50 30 KGEALO C[C@H](Sc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)C(=O)NC1(C#N)CCCCC1 ZINC000013097398 553446654 /nfs/dbraw/zinc/44/66/54/553446654.db2.gz AFDIYDLKIUOYAO-NRFANRHFSA-N 1 2 527.716 3.411 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000013751392 553487989 /nfs/dbraw/zinc/48/79/89/553487989.db2.gz ANURTICUQCQNEB-QFIPXVFZSA-N 1 2 515.994 3.372 50 30 KGEALO COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000015837234 553537440 /nfs/dbraw/zinc/53/74/40/553537440.db2.gz RLTQMTKFNLEVBY-AVRWGWEMSA-N 1 2 520.582 3.097 50 30 KGEALO COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000015837237 553537433 /nfs/dbraw/zinc/53/74/33/553537433.db2.gz RLTQMTKFNLEVBY-CJAUYULYSA-N 1 2 520.582 3.097 50 30 KGEALO COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000015837240 553537381 /nfs/dbraw/zinc/53/73/81/553537381.db2.gz RLTQMTKFNLEVBY-IQGLISFBSA-N 1 2 520.582 3.097 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000015952860 553545702 /nfs/dbraw/zinc/54/57/02/553545702.db2.gz IPPMSRRHYBBGOY-QYBDOPJKSA-N 1 2 522.598 3.328 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000015952861 553545759 /nfs/dbraw/zinc/54/57/59/553545759.db2.gz IPPMSRRHYBBGOY-HFJWLAOPSA-N 1 2 522.598 3.328 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000015952862 553545783 /nfs/dbraw/zinc/54/57/83/553545783.db2.gz IPPMSRRHYBBGOY-DWXRJYCRSA-N 1 2 522.598 3.328 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000015952863 553545836 /nfs/dbraw/zinc/54/58/36/553545836.db2.gz IPPMSRRHYBBGOY-WXTAPIANSA-N 1 2 522.598 3.328 50 30 KGEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000016729114 553575620 /nfs/dbraw/zinc/57/56/20/553575620.db2.gz LWPOOZSVPZFSDT-DEOSSOPVSA-N 1 2 514.550 3.239 50 30 KGEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000016729117 553575571 /nfs/dbraw/zinc/57/55/71/553575571.db2.gz LWPOOZSVPZFSDT-XMMPIXPASA-N 1 2 514.550 3.239 50 30 KGEALO CCOc1ccccc1[C@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000016737464 553579279 /nfs/dbraw/zinc/57/92/79/553579279.db2.gz LPVGIIIWXILTJE-VWLOTQADSA-N 1 2 508.571 3.157 50 30 KGEALO CCOc1ccccc1[C@@H]1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000016737466 553579303 /nfs/dbraw/zinc/57/93/03/553579303.db2.gz LPVGIIIWXILTJE-RUZDIDTESA-N 1 2 508.571 3.157 50 30 KGEALO C=CCN1C(=O)[C@@]2(c3ccccc31)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000016742284 553580235 /nfs/dbraw/zinc/58/02/35/553580235.db2.gz LQAGKNNDMGSWOY-SSEXGKCCSA-N 1 2 527.577 3.420 50 30 KGEALO C=CCN1C(=O)[C@]2(c3ccccc31)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000016742285 553580227 /nfs/dbraw/zinc/58/02/27/553580227.db2.gz LQAGKNNDMGSWOY-PMERELPUSA-N 1 2 527.577 3.420 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000017123506 553588160 /nfs/dbraw/zinc/58/81/60/553588160.db2.gz KCMFOWGPSJBPKC-RUZDIDTESA-N 1 2 510.587 3.321 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000017123510 553588201 /nfs/dbraw/zinc/58/82/01/553588201.db2.gz KCMFOWGPSJBPKC-VWLOTQADSA-N 1 2 510.587 3.321 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000017147015 553589165 /nfs/dbraw/zinc/58/91/65/553589165.db2.gz JMWGMYJLCVOWLJ-XMMPIXPASA-N 1 2 510.587 3.321 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000017147018 553589076 /nfs/dbraw/zinc/58/90/76/553589076.db2.gz JMWGMYJLCVOWLJ-DEOSSOPVSA-N 1 2 510.587 3.321 50 30 KGEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000020057783 553671044 /nfs/dbraw/zinc/67/10/44/553671044.db2.gz MKNGMNSNOOCWGO-VWLOTQADSA-N 1 2 510.587 3.409 50 30 KGEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000020057784 553671419 /nfs/dbraw/zinc/67/14/19/553671419.db2.gz MKNGMNSNOOCWGO-RUZDIDTESA-N 1 2 510.587 3.409 50 30 KGEALO COc1ccc(C(=O)Cc2nc3ccc(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc3[nH]c2=O)cc1OC ZINC000020177013 553602751 /nfs/dbraw/zinc/60/27/51/553602751.db2.gz OFRKNKCVUVYBFM-XLNRJJMWSA-N 1 2 513.554 3.192 50 30 KGEALO COc1ccc([C@H]2c3c(=O)[nH]c(SCC[NH+]4CCOCC4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000020181718 553604298 /nfs/dbraw/zinc/60/42/98/553604298.db2.gz NVGDOUUBGVJERH-OAQYLSRUSA-N 1 2 526.659 3.412 50 30 KGEALO COc1ccc([C@@H]2c3c(=O)[nH]c(SCC[NH+]4CCOCC4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000020181721 553604216 /nfs/dbraw/zinc/60/42/16/553604216.db2.gz NVGDOUUBGVJERH-NRFANRHFSA-N 1 2 526.659 3.412 50 30 KGEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020219304 553614688 /nfs/dbraw/zinc/61/46/88/553614688.db2.gz BWKYEVVKWGYISP-AREMUKBSSA-N 1 2 520.582 3.323 50 30 KGEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020219305 553614795 /nfs/dbraw/zinc/61/47/95/553614795.db2.gz BWKYEVVKWGYISP-SANMLTNESA-N 1 2 520.582 3.323 50 30 KGEALO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020219310 553614822 /nfs/dbraw/zinc/61/48/22/553614822.db2.gz YHVRHVMYSNGVFT-AREMUKBSSA-N 1 2 520.582 3.323 50 30 KGEALO C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020219311 553614748 /nfs/dbraw/zinc/61/47/48/553614748.db2.gz YHVRHVMYSNGVFT-SANMLTNESA-N 1 2 520.582 3.323 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020219527 553615140 /nfs/dbraw/zinc/61/51/40/553615140.db2.gz NPPHMFSDQBKXHT-VWLOTQADSA-N 1 2 504.587 3.342 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020219528 553615001 /nfs/dbraw/zinc/61/50/01/553615001.db2.gz NPPHMFSDQBKXHT-RUZDIDTESA-N 1 2 504.587 3.342 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000020264990 553629813 /nfs/dbraw/zinc/62/98/13/553629813.db2.gz SAMBCWJAJKPKQM-VWLOTQADSA-N 1 2 510.587 3.403 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000020264993 553629863 /nfs/dbraw/zinc/62/98/63/553629863.db2.gz SAMBCWJAJKPKQM-RUZDIDTESA-N 1 2 510.587 3.403 50 30 KGEALO CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020266840 553630342 /nfs/dbraw/zinc/63/03/42/553630342.db2.gz QZOSCLWXGUROST-VWLOTQADSA-N 1 2 508.571 3.157 50 30 KGEALO CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000020266843 553630314 /nfs/dbraw/zinc/63/03/14/553630314.db2.gz QZOSCLWXGUROST-RUZDIDTESA-N 1 2 508.571 3.157 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020280736 553631004 /nfs/dbraw/zinc/63/10/04/553631004.db2.gz FOWZQOJXHRXWRZ-DEOSSOPVSA-N 1 2 525.602 3.117 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000020280739 553631042 /nfs/dbraw/zinc/63/10/42/553631042.db2.gz FOWZQOJXHRXWRZ-XMMPIXPASA-N 1 2 525.602 3.117 50 30 KGEALO COC(=O)c1ccc([C@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020309062 553636451 /nfs/dbraw/zinc/63/64/51/553636451.db2.gz GCUNJHOOKNCJOY-FQEVSTJZSA-N 1 2 517.376 3.471 50 30 KGEALO COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(Br)ccc3O)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020309064 553636304 /nfs/dbraw/zinc/63/63/04/553636304.db2.gz GCUNJHOOKNCJOY-HXUWFJFHSA-N 1 2 517.376 3.471 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3cc(C)ccc3O)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000020309335 553636823 /nfs/dbraw/zinc/63/68/23/553636823.db2.gz BXIGYPWJPOEDCU-DEOSSOPVSA-N 1 2 526.586 3.027 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3cc(C)ccc3O)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000020309338 553636837 /nfs/dbraw/zinc/63/68/37/553636837.db2.gz BXIGYPWJPOEDCU-XMMPIXPASA-N 1 2 526.586 3.027 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)c(O)c1 ZINC000020309424 553636900 /nfs/dbraw/zinc/63/69/00/553636900.db2.gz SXIBMBQAFBSUKR-RUZDIDTESA-N 1 2 510.587 3.489 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)c(O)c1 ZINC000020309426 553636906 /nfs/dbraw/zinc/63/69/06/553636906.db2.gz SXIBMBQAFBSUKR-VWLOTQADSA-N 1 2 510.587 3.489 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(OC(C)C)c2)c(O)c1 ZINC000020309460 553636677 /nfs/dbraw/zinc/63/66/77/553636677.db2.gz YVZAKVRHOOLIKJ-RUZDIDTESA-N 1 2 510.587 3.489 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(OC(C)C)c2)c(O)c1 ZINC000020309462 553636916 /nfs/dbraw/zinc/63/69/16/553636916.db2.gz YVZAKVRHOOLIKJ-VWLOTQADSA-N 1 2 510.587 3.489 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3O)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000020310430 553637137 /nfs/dbraw/zinc/63/71/37/553637137.db2.gz SKNAOZVNPQPHQG-VWLOTQADSA-N 1 2 510.587 3.409 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3O)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000020310433 553637271 /nfs/dbraw/zinc/63/72/71/553637271.db2.gz SKNAOZVNPQPHQG-RUZDIDTESA-N 1 2 510.587 3.409 50 30 KGEALO CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000020358321 553642928 /nfs/dbraw/zinc/64/29/28/553642928.db2.gz WBOIHGJFTJGZAG-GDLZYMKVSA-N 1 2 515.566 3.254 50 30 KGEALO CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000020358322 553642912 /nfs/dbraw/zinc/64/29/12/553642912.db2.gz WBOIHGJFTJGZAG-LJAQVGFWSA-N 1 2 515.566 3.254 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000020391255 553644947 /nfs/dbraw/zinc/64/49/47/553644947.db2.gz FMBPLPOIEQWPEC-VWLOTQADSA-N 1 2 508.571 3.266 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000020391259 553645021 /nfs/dbraw/zinc/64/50/21/553645021.db2.gz FMBPLPOIEQWPEC-RUZDIDTESA-N 1 2 508.571 3.266 50 30 KGEALO O=C(NCCCN1CC[NH+](CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)C(F)(F)F ZINC000022790430 553750679 /nfs/dbraw/zinc/75/06/79/553750679.db2.gz ADHMCTSNSMAERH-UHFFFAOYSA-N 1 2 592.372 3.282 50 30 KGEALO COCCOCC(=O)N1CC[NH+](C[C@@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023304899 553771894 /nfs/dbraw/zinc/77/18/94/553771894.db2.gz QYRBADUCKBIJSM-MUUNZHRXSA-N 1 2 506.647 3.224 50 30 KGEALO COCCOCC(=O)N1CC[NH+](C[C@H](OCc2ccc(C#N)cc2)c2cccc(N3CCCC3)c2)CC1 ZINC000023304900 553771900 /nfs/dbraw/zinc/77/19/00/553771900.db2.gz QYRBADUCKBIJSM-NDEPHWFRSA-N 1 2 506.647 3.224 50 30 KGEALO CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147132 553789165 /nfs/dbraw/zinc/78/91/65/553789165.db2.gz NPHCYIMKIVZETI-MUUNZHRXSA-N 1 2 507.562 3.037 50 30 KGEALO CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147136 553789048 /nfs/dbraw/zinc/78/90/48/553789048.db2.gz NPHCYIMKIVZETI-NDEPHWFRSA-N 1 2 507.562 3.037 50 30 KGEALO C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147341 553789340 /nfs/dbraw/zinc/78/93/40/553789340.db2.gz RHRAEXBDTNFBEV-GDLZYMKVSA-N 1 2 519.573 3.122 50 30 KGEALO C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147345 553789371 /nfs/dbraw/zinc/78/93/71/553789371.db2.gz RHRAEXBDTNFBEV-LJAQVGFWSA-N 1 2 519.573 3.122 50 30 KGEALO CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147445 553789379 /nfs/dbraw/zinc/78/93/79/553789379.db2.gz SWFKUWIYNGKSPI-SSEXGKCCSA-N 1 2 533.625 3.297 50 30 KGEALO CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147449 553789354 /nfs/dbraw/zinc/78/93/54/553789354.db2.gz SWFKUWIYNGKSPI-PMERELPUSA-N 1 2 533.625 3.297 50 30 KGEALO C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147472 553789401 /nfs/dbraw/zinc/78/94/01/553789401.db2.gz ADJBYVHQLPNOME-SSEXGKCCSA-N 1 2 531.609 3.073 50 30 KGEALO C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147476 553789393 /nfs/dbraw/zinc/78/93/93/553789393.db2.gz ADJBYVHQLPNOME-PMERELPUSA-N 1 2 531.609 3.073 50 30 KGEALO CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147581 553789743 /nfs/dbraw/zinc/78/97/43/553789743.db2.gz IKXLNQCDKOBZAI-GDLZYMKVSA-N 1 2 503.599 3.206 50 30 KGEALO CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147585 553789697 /nfs/dbraw/zinc/78/96/97/553789697.db2.gz IKXLNQCDKOBZAI-LJAQVGFWSA-N 1 2 503.599 3.206 50 30 KGEALO CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147663 553789730 /nfs/dbraw/zinc/78/97/30/553789730.db2.gz LOIHFWMKDLUYBE-SSEXGKCCSA-N 1 2 533.625 3.297 50 30 KGEALO CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147667 553789656 /nfs/dbraw/zinc/78/96/56/553789656.db2.gz LOIHFWMKDLUYBE-PMERELPUSA-N 1 2 533.625 3.297 50 30 KGEALO CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147757 553789681 /nfs/dbraw/zinc/78/96/81/553789681.db2.gz SRCDVKPDCQXAKY-GDLZYMKVSA-N 1 2 521.589 3.346 50 30 KGEALO CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024147760 553789672 /nfs/dbraw/zinc/78/96/72/553789672.db2.gz SRCDVKPDCQXAKY-LJAQVGFWSA-N 1 2 521.589 3.346 50 30 KGEALO C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024192911 553790018 /nfs/dbraw/zinc/79/00/18/553790018.db2.gz NPTDPNDHTHWLIM-MUUNZHRXSA-N 1 2 522.001 3.327 50 30 KGEALO C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000024192912 553789955 /nfs/dbraw/zinc/78/99/55/553789955.db2.gz NPTDPNDHTHWLIM-NDEPHWFRSA-N 1 2 522.001 3.327 50 30 KGEALO Cc1ccc2nc([C@@H](C#N)C(=O)c3nc(N4CC[NH+](Cc5ccccc5)CC4)ncc3Cl)[nH]c(=O)c2c1 ZINC000025326624 553806399 /nfs/dbraw/zinc/80/63/99/553806399.db2.gz NRUQRABYIKTSKB-FQEVSTJZSA-N 1 2 513.989 3.487 50 30 KGEALO Cc1ccc2nc([C@H](C#N)C(=O)c3nc(N4CC[NH+](Cc5ccccc5)CC4)ncc3Cl)[nH]c(=O)c2c1 ZINC000025326626 553806456 /nfs/dbraw/zinc/80/64/56/553806456.db2.gz NRUQRABYIKTSKB-HXUWFJFHSA-N 1 2 513.989 3.487 50 30 KGEALO CCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)C1 ZINC000029501168 553846268 /nfs/dbraw/zinc/84/62/68/553846268.db2.gz LXAMWAHJUVQYSX-SWJINONDSA-N 1 2 585.731 3.062 50 30 KGEALO CCN(CC)C(=O)[C@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)C1 ZINC000029501175 553846359 /nfs/dbraw/zinc/84/63/59/553846359.db2.gz LXAMWAHJUVQYSX-ZIVDADNMSA-N 1 2 585.731 3.062 50 30 KGEALO CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000029748976 553850497 /nfs/dbraw/zinc/85/04/97/553850497.db2.gz PRXARFJABHKZIY-PKHCJMHPSA-N 1 2 545.636 3.221 50 30 KGEALO CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000029748981 553850432 /nfs/dbraw/zinc/85/04/32/553850432.db2.gz PRXARFJABHKZIY-GEFUHLBYSA-N 1 2 545.636 3.221 50 30 KGEALO CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000029748985 553850783 /nfs/dbraw/zinc/85/07/83/553850783.db2.gz PRXARFJABHKZIY-PLTNMMHCSA-N 1 2 545.636 3.221 50 30 KGEALO CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000029748989 553850746 /nfs/dbraw/zinc/85/07/46/553850746.db2.gz PRXARFJABHKZIY-QJWGWKRISA-N 1 2 545.636 3.221 50 30 KGEALO C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NCCC)CC1 ZINC000036019106 554137471 /nfs/dbraw/zinc/13/74/71/554137471.db2.gz LGKVXCOFBJJOIB-QHCPKHFHSA-N 1 2 501.603 3.023 50 30 KGEALO C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NCCC)CC1 ZINC000036019106 554137469 /nfs/dbraw/zinc/13/74/69/554137469.db2.gz LGKVXCOFBJJOIB-QHCPKHFHSA-N 1 2 501.603 3.023 50 30 KGEALO C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)NCCC)CC1 ZINC000036019107 554137486 /nfs/dbraw/zinc/13/74/86/554137486.db2.gz LGKVXCOFBJJOIB-HSZRJFAPSA-N 1 2 501.603 3.023 50 30 KGEALO C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)NCCC)CC1 ZINC000036019107 554137483 /nfs/dbraw/zinc/13/74/83/554137483.db2.gz LGKVXCOFBJJOIB-HSZRJFAPSA-N 1 2 501.603 3.023 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000038139798 554261365 /nfs/dbraw/zinc/26/13/65/554261365.db2.gz BMHQXRZEFATIHY-AREMUKBSSA-N 1 2 538.597 3.166 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000038139800 554261313 /nfs/dbraw/zinc/26/13/13/554261313.db2.gz BMHQXRZEFATIHY-SANMLTNESA-N 1 2 538.597 3.166 50 30 KGEALO COc1c2c(cc3c1[C@@H](C#CCOc1ccc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[N@@H+](C)CC3)OCO2 ZINC000053319153 554336218 /nfs/dbraw/zinc/33/62/18/554336218.db2.gz RMIGQPBRWAGJBD-HXUWFJFHSA-N 1 2 596.434 3.232 50 30 biogenic KGEALO COc1c2c(cc3c1[C@@H](C#CCOc1ccc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[N@H+](C)CC3)OCO2 ZINC000053319153 554336213 /nfs/dbraw/zinc/33/62/13/554336213.db2.gz RMIGQPBRWAGJBD-HXUWFJFHSA-N 1 2 596.434 3.232 50 30 biogenic KGEALO COc1c2c(cc3c1[C@H](C#CCOc1ccc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[N@@H+](C)CC3)OCO2 ZINC000053319154 554336263 /nfs/dbraw/zinc/33/62/63/554336263.db2.gz RMIGQPBRWAGJBD-FQEVSTJZSA-N 1 2 596.434 3.232 50 30 biogenic KGEALO COc1c2c(cc3c1[C@H](C#CCOc1ccc(Br)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[N@H+](C)CC3)OCO2 ZINC000053319154 554336259 /nfs/dbraw/zinc/33/62/59/554336259.db2.gz RMIGQPBRWAGJBD-FQEVSTJZSA-N 1 2 596.434 3.232 50 30 biogenic KGEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(Br)c1O ZINC000053339039 554343135 /nfs/dbraw/zinc/34/31/35/554343135.db2.gz BIENUTFXEKKYRR-QHCPKHFHSA-N 1 2 589.439 3.235 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(Br)c1O ZINC000053339044 554343081 /nfs/dbraw/zinc/34/30/81/554343081.db2.gz BIENUTFXEKKYRR-HSZRJFAPSA-N 1 2 589.439 3.235 50 30 KGEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000059596344 554408744 /nfs/dbraw/zinc/40/87/44/554408744.db2.gz RSAIIKAHHANRHM-RUZDIDTESA-N 1 2 531.569 3.390 50 30 KGEALO COc1c2c(cc3c1[C@H](C#CCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[N@@H+](C)CC3)OCO2 ZINC000070672992 553603028 /nfs/dbraw/zinc/60/30/28/553603028.db2.gz IPXDOYWEXUBDJG-FQEVSTJZSA-N 1 2 551.983 3.123 50 30 biogenic KGEALO COc1c2c(cc3c1[C@H](C#CCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[N@H+](C)CC3)OCO2 ZINC000070672992 553603026 /nfs/dbraw/zinc/60/30/26/553603026.db2.gz IPXDOYWEXUBDJG-FQEVSTJZSA-N 1 2 551.983 3.123 50 30 biogenic KGEALO COc1c2c(cc3c1[C@@H](C#CCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[N@@H+](C)CC3)OCO2 ZINC000070672995 553603090 /nfs/dbraw/zinc/60/30/90/553603090.db2.gz IPXDOYWEXUBDJG-HXUWFJFHSA-N 1 2 551.983 3.123 50 30 biogenic KGEALO COc1c2c(cc3c1[C@@H](C#CCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[N@H+](C)CC3)OCO2 ZINC000070672995 553603088 /nfs/dbraw/zinc/60/30/88/553603088.db2.gz IPXDOYWEXUBDJG-HXUWFJFHSA-N 1 2 551.983 3.123 50 30 biogenic KGEALO C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1c[nH]c[nH+]1 ZINC000070691984 553608835 /nfs/dbraw/zinc/60/88/35/553608835.db2.gz SFBRIYGBUOEWSA-MVRZZEOJSA-N 1 2 539.673 3.224 50 30 biogenic KGEALO C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1c[nH+]c[nH]1 ZINC000070691984 553608832 /nfs/dbraw/zinc/60/88/32/553608832.db2.gz SFBRIYGBUOEWSA-MVRZZEOJSA-N 1 2 539.673 3.224 50 30 biogenic KGEALO C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=[NH+]/CCc3ccc(O)c(O)c3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000070692043 553609154 /nfs/dbraw/zinc/60/91/54/553609154.db2.gz MZWMGBCUMIVPGY-SGOMGNINSA-N 1 2 539.669 3.424 50 30 biogenic KGEALO C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH]c[nH+]5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692259 553610720 /nfs/dbraw/zinc/61/07/20/553610720.db2.gz VWNXXDRIBVHHMQ-HSCRAQQZSA-N 1 2 536.673 3.310 50 30 biogenic KGEALO C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5c[nH+]c[nH]5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692259 553610716 /nfs/dbraw/zinc/61/07/16/553610716.db2.gz VWNXXDRIBVHHMQ-HSCRAQQZSA-N 1 2 536.673 3.310 50 30 biogenic KGEALO C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH]c[nH+]5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692260 553610632 /nfs/dbraw/zinc/61/06/32/553610632.db2.gz VWNXXDRIBVHHMQ-ULHAHEQLSA-N 1 2 536.673 3.310 50 30 biogenic KGEALO C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5c[nH+]c[nH]5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692260 553610629 /nfs/dbraw/zinc/61/06/29/553610629.db2.gz VWNXXDRIBVHHMQ-ULHAHEQLSA-N 1 2 536.673 3.310 50 30 biogenic KGEALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070692347 553611177 /nfs/dbraw/zinc/61/11/77/553611177.db2.gz PJPCYEHVXAIXOO-PKZHNXSISA-N 1 2 512.651 3.306 50 30 biogenic KGEALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070692347 553611176 /nfs/dbraw/zinc/61/11/76/553611176.db2.gz PJPCYEHVXAIXOO-PKZHNXSISA-N 1 2 512.651 3.306 50 30 biogenic KGEALO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070692348 553611210 /nfs/dbraw/zinc/61/12/10/553611210.db2.gz PJPCYEHVXAIXOO-AKPRZWKVSA-N 1 2 512.651 3.306 50 30 biogenic KGEALO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000070692348 553611208 /nfs/dbraw/zinc/61/12/08/553611208.db2.gz PJPCYEHVXAIXOO-AKPRZWKVSA-N 1 2 512.651 3.306 50 30 biogenic KGEALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000070698723 553614742 /nfs/dbraw/zinc/61/47/42/553614742.db2.gz BULBTDPFRMAGQW-SKEBRDROSA-N 1 2 524.662 3.472 50 30 biogenic KGEALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000070698723 553614739 /nfs/dbraw/zinc/61/47/39/553614739.db2.gz BULBTDPFRMAGQW-SKEBRDROSA-N 1 2 524.662 3.472 50 30 biogenic KGEALO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000070698726 553614724 /nfs/dbraw/zinc/61/47/24/553614724.db2.gz BULBTDPFRMAGQW-GYYKLRIYSA-N 1 2 524.662 3.472 50 30 biogenic KGEALO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000070698726 553614721 /nfs/dbraw/zinc/61/47/21/553614721.db2.gz BULBTDPFRMAGQW-GYYKLRIYSA-N 1 2 524.662 3.472 50 30 biogenic KGEALO CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CC[NH+](Cc4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000070720183 553634319 /nfs/dbraw/zinc/63/43/19/553634319.db2.gz UNYWPVHQAQLYED-UHFFFAOYSA-N 1 2 544.633 3.032 50 30 KGEALO Cc1ccc(S(=O)(=O)NC2=C(N3CC[NH+](Cc4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000071134419 553634229 /nfs/dbraw/zinc/63/42/29/553634229.db2.gz YWUQOVXSSVMQLM-UHFFFAOYSA-N 1 2 501.608 3.382 50 30 KGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc3c(c(OC)c2OC)OCO3)c1 ZINC000085412600 553680733 /nfs/dbraw/zinc/68/07/33/553680733.db2.gz UBYRLEBJRSSBCA-OAQYLSRUSA-N 1 2 521.526 3.306 50 30 KGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc3c(c(OC)c2OC)OCO3)c1 ZINC000085412605 553680760 /nfs/dbraw/zinc/68/07/60/553680760.db2.gz UBYRLEBJRSSBCA-NRFANRHFSA-N 1 2 521.526 3.306 50 30 KGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc(OC)c3c(c2OC)OCO3)c1 ZINC000085412622 553680763 /nfs/dbraw/zinc/68/07/63/553680763.db2.gz KPYLOBAETBBLIR-OAQYLSRUSA-N 1 2 521.526 3.306 50 30 KGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc(OC)c3c(c2OC)OCO3)c1 ZINC000085412625 553680747 /nfs/dbraw/zinc/68/07/47/553680747.db2.gz KPYLOBAETBBLIR-NRFANRHFSA-N 1 2 521.526 3.306 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc2c1OCO2 ZINC000085413302 553681004 /nfs/dbraw/zinc/68/10/04/553681004.db2.gz SXJFQHBZMNWZPH-HSZRJFAPSA-N 1 2 521.526 3.306 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc2c1OCO2 ZINC000085413305 553681040 /nfs/dbraw/zinc/68/10/40/553681040.db2.gz SXJFQHBZMNWZPH-QHCPKHFHSA-N 1 2 521.526 3.306 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000096295627 553748556 /nfs/dbraw/zinc/74/85/56/553748556.db2.gz NDESTHACKGKXRO-XMMPIXPASA-N 1 2 505.527 3.340 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc2c1OCO2 ZINC000096335833 553752325 /nfs/dbraw/zinc/75/23/25/553752325.db2.gz XVYVMNAIGHYWFT-HSZRJFAPSA-N 1 2 519.510 3.060 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc2c1OCO2 ZINC000096335834 553752327 /nfs/dbraw/zinc/75/23/27/553752327.db2.gz XVYVMNAIGHYWFT-QHCPKHFHSA-N 1 2 519.510 3.060 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000097953024 553818944 /nfs/dbraw/zinc/81/89/44/553818944.db2.gz MSRUINVEIIVIRO-XMMPIXPASA-N 1 2 535.553 3.349 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000097953025 553818833 /nfs/dbraw/zinc/81/88/33/553818833.db2.gz MSRUINVEIIVIRO-DEOSSOPVSA-N 1 2 535.553 3.349 50 30 KGEALO CCN(CC)c1ccc(NN=C(C(C)=O)C(=O)NCCNC(=O)C(=NNc2ccc([NH+](CC)CC)cc2)C(C)=O)cc1 ZINC000097964880 553901261 /nfs/dbraw/zinc/90/12/61/553901261.db2.gz OSMPPQHAFZGEKM-JEVCVBCSSA-N 1 2 578.718 3.025 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Br)c2)c1C ZINC000097967029 553913171 /nfs/dbraw/zinc/91/31/71/553913171.db2.gz MGEQCAAAQLXVKB-QFIPXVFZSA-N 1 2 560.445 3.481 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Br)c2)c1C ZINC000097967030 553913130 /nfs/dbraw/zinc/91/31/30/553913130.db2.gz MGEQCAAAQLXVKB-JOCHJYFZSA-N 1 2 560.445 3.481 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097967072 553913373 /nfs/dbraw/zinc/91/33/73/553913373.db2.gz LEBHMCZLFBZFHA-VWLOTQADSA-N 1 2 540.613 3.330 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097967073 553913399 /nfs/dbraw/zinc/91/33/99/553913399.db2.gz LEBHMCZLFBZFHA-RUZDIDTESA-N 1 2 540.613 3.330 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097967227 553915385 /nfs/dbraw/zinc/91/53/85/553915385.db2.gz RYQMZZJXVQUYMW-VWLOTQADSA-N 1 2 540.613 3.330 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097967228 553915410 /nfs/dbraw/zinc/91/54/10/553915410.db2.gz RYQMZZJXVQUYMW-RUZDIDTESA-N 1 2 540.613 3.330 50 30 KGEALO CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Br)c2)cc1 ZINC000097967620 553920950 /nfs/dbraw/zinc/92/09/50/553920950.db2.gz AXXHLHKPZGRYTI-QHCPKHFHSA-N 1 2 592.512 3.000 50 30 KGEALO CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000097967621 553921099 /nfs/dbraw/zinc/92/10/99/553921099.db2.gz AXXHLHKPZGRYTI-HSZRJFAPSA-N 1 2 592.512 3.000 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000097969068 553936227 /nfs/dbraw/zinc/93/62/27/553936227.db2.gz PJKJOOYKYNPCAQ-VWLOTQADSA-N 1 2 555.628 3.126 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000097969069 553936278 /nfs/dbraw/zinc/93/62/78/553936278.db2.gz PJKJOOYKYNPCAQ-RUZDIDTESA-N 1 2 555.628 3.126 50 30 KGEALO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000097969432 553940757 /nfs/dbraw/zinc/94/07/57/553940757.db2.gz YODWKPVZYUCKMG-AREMUKBSSA-N 1 2 555.697 3.361 50 30 KGEALO CC(C)c1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000097969433 553940885 /nfs/dbraw/zinc/94/08/85/553940885.db2.gz YODWKPVZYUCKMG-SANMLTNESA-N 1 2 555.697 3.361 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(OC)c2OC)c1C ZINC000097969434 553940804 /nfs/dbraw/zinc/94/08/04/553940804.db2.gz FXXDYHVJVUFYIQ-DEOSSOPVSA-N 1 2 555.628 3.126 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c1C ZINC000097969435 553940875 /nfs/dbraw/zinc/94/08/75/553940875.db2.gz FXXDYHVJVUFYIQ-XMMPIXPASA-N 1 2 555.628 3.126 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c1C ZINC000097970917 553959492 /nfs/dbraw/zinc/95/94/92/553959492.db2.gz LWVIJSSURSPVLZ-VWLOTQADSA-N 1 2 555.628 3.126 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c1C ZINC000097970918 553959645 /nfs/dbraw/zinc/95/96/45/553959645.db2.gz LWVIJSSURSPVLZ-RUZDIDTESA-N 1 2 555.628 3.126 50 30 KGEALO CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000098046831 554144200 /nfs/dbraw/zinc/14/42/00/554144200.db2.gz XPXXDBIMRXBYOP-HKBQPEDESA-N 1 2 561.635 3.059 50 30 KGEALO CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000098046832 554144160 /nfs/dbraw/zinc/14/41/60/554144160.db2.gz XPXXDBIMRXBYOP-WJOKGBTCSA-N 1 2 561.635 3.059 50 30 KGEALO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098047196 554147647 /nfs/dbraw/zinc/14/76/47/554147647.db2.gz BAQJXLJESPYHSM-HHHXNRCGSA-N 1 2 585.723 3.416 50 30 KGEALO CCCCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098047197 554147615 /nfs/dbraw/zinc/14/76/15/554147615.db2.gz BAQJXLJESPYHSM-MHZLTWQESA-N 1 2 585.723 3.416 50 30 KGEALO C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(Br)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000098047217 554147961 /nfs/dbraw/zinc/14/79/61/554147961.db2.gz DCXGDNIWCIVWJA-NDEPHWFRSA-N 1 2 566.452 3.437 50 30 KGEALO C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(Br)cc1)=C(O)C(=O)N2CCC[NH+]1CCOCC1 ZINC000098047218 554148018 /nfs/dbraw/zinc/14/80/18/554148018.db2.gz DCXGDNIWCIVWJA-MUUNZHRXSA-N 1 2 566.452 3.437 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098047953 554158107 /nfs/dbraw/zinc/15/81/07/554158107.db2.gz VGNRNCUQLGMQPD-HHHXNRCGSA-N 1 2 583.707 3.170 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098047954 554158086 /nfs/dbraw/zinc/15/80/86/554158086.db2.gz VGNRNCUQLGMQPD-MHZLTWQESA-N 1 2 583.707 3.170 50 30 KGEALO Cc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098047963 554158120 /nfs/dbraw/zinc/15/81/20/554158120.db2.gz YYDXGMCNPMOYHP-HHHXNRCGSA-N 1 2 567.708 3.470 50 30 KGEALO Cc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098047964 554157998 /nfs/dbraw/zinc/15/79/98/554157998.db2.gz YYDXGMCNPMOYHP-MHZLTWQESA-N 1 2 567.708 3.470 50 30 KGEALO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098050299 554173579 /nfs/dbraw/zinc/17/35/79/554173579.db2.gz RAZYFLSMVKKEPQ-AREMUKBSSA-N 1 2 571.696 3.026 50 30 KGEALO CCCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098050300 554173686 /nfs/dbraw/zinc/17/36/86/554173686.db2.gz RAZYFLSMVKKEPQ-SANMLTNESA-N 1 2 571.696 3.026 50 30 KGEALO CCN(CC)C(=O)[C@@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 ZINC000100055756 554196132 /nfs/dbraw/zinc/19/61/32/554196132.db2.gz LLADSOKFAWVAJC-DCLYXHRQSA-N 1 2 572.688 3.147 50 30 KGEALO CCN(CC)C(=O)[C@H]1CCCN(c2ccccc2C=[NH+]Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 ZINC000100055758 554196249 /nfs/dbraw/zinc/19/62/49/554196249.db2.gz LLADSOKFAWVAJC-ATGXDJACSA-N 1 2 572.688 3.147 50 30 KGEALO C[NH+]=C(Nc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000100077856 554205184 /nfs/dbraw/zinc/20/51/84/554205184.db2.gz PTRCKDOGLIXWIH-INIZCTEOSA-N 1 2 509.325 3.292 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c2c1OCO2 ZINC000100254577 554263736 /nfs/dbraw/zinc/26/37/36/554263736.db2.gz KZNRFJFFBPOHSZ-OAQYLSRUSA-N 1 2 535.509 3.026 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c2c1OCO2 ZINC000100254580 554263708 /nfs/dbraw/zinc/26/37/08/554263708.db2.gz KZNRFJFFBPOHSZ-NRFANRHFSA-N 1 2 535.509 3.026 50 30 KGEALO COc1c2c(cc([C@@H]3C(C(=O)c4ccc5c(c4)OCO5)=C(O)C(=O)N3CCCn3cc[nH+]c3)c1OC)OCO2 ZINC000100255298 554264140 /nfs/dbraw/zinc/26/41/40/554264140.db2.gz MXYONKPMIYKKHD-OAQYLSRUSA-N 1 2 535.509 3.026 50 30 KGEALO COc1c2c(cc([C@H]3C(C(=O)c4ccc5c(c4)OCO5)=C(O)C(=O)N3CCCn3cc[nH+]c3)c1OC)OCO2 ZINC000100255302 554264071 /nfs/dbraw/zinc/26/40/71/554264071.db2.gz MXYONKPMIYKKHD-NRFANRHFSA-N 1 2 535.509 3.026 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c2c1OCO2 ZINC000100255315 554264119 /nfs/dbraw/zinc/26/41/19/554264119.db2.gz UUTWZHZCSXKOPB-JOCHJYFZSA-N 1 2 551.552 3.315 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c2c1OCO2 ZINC000100255318 554264088 /nfs/dbraw/zinc/26/40/88/554264088.db2.gz UUTWZHZCSXKOPB-QFIPXVFZSA-N 1 2 551.552 3.315 50 30 KGEALO COc1c2c(cc([C@@H]3C(C(=O)c4ccc5c(c4)OCCO5)=C(O)C(=O)N3CCCn3cc[nH+]c3)c1OC)OCO2 ZINC000100255735 554264125 /nfs/dbraw/zinc/26/41/25/554264125.db2.gz NEDNVSZUOIBOLL-JOCHJYFZSA-N 1 2 549.536 3.069 50 30 KGEALO COc1c2c(cc([C@H]3C(C(=O)c4ccc5c(c4)OCCO5)=C(O)C(=O)N3CCCn3cc[nH+]c3)c1OC)OCO2 ZINC000100255738 554264042 /nfs/dbraw/zinc/26/40/42/554264042.db2.gz NEDNVSZUOIBOLL-QFIPXVFZSA-N 1 2 549.536 3.069 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c2c1OCO2 ZINC000100255764 554264129 /nfs/dbraw/zinc/26/41/29/554264129.db2.gz VNAAMODWSOTRRY-JOCHJYFZSA-N 1 2 549.536 3.069 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c2c1OCO2 ZINC000100255768 554264326 /nfs/dbraw/zinc/26/43/26/554264326.db2.gz VNAAMODWSOTRRY-QFIPXVFZSA-N 1 2 549.536 3.069 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000100595430 554430035 /nfs/dbraw/zinc/43/00/35/554430035.db2.gz VSYMFEFKINBJLT-NPJIAGGLSA-N 1 2 508.571 3.001 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000100595436 554430067 /nfs/dbraw/zinc/43/00/67/554430067.db2.gz VSYMFEFKINBJLT-IUKMQXEJSA-N 1 2 508.571 3.001 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000100678391 554445060 /nfs/dbraw/zinc/44/50/60/554445060.db2.gz STEURCBQWCQYBQ-HSZRJFAPSA-N 1 2 591.455 3.481 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1OC ZINC000100678394 554445019 /nfs/dbraw/zinc/44/50/19/554445019.db2.gz STEURCBQWCQYBQ-QHCPKHFHSA-N 1 2 591.455 3.481 50 30 KGEALO C=CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)SC1=S ZINC000100763016 554468709 /nfs/dbraw/zinc/46/87/09/554468709.db2.gz NNINHEUYLROROY-JCMHNJIXSA-N 1 2 547.662 3.133 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101069874 554574348 /nfs/dbraw/zinc/57/43/48/554574348.db2.gz SBKQNYSXVYKUHS-ZHHPLPSFSA-N 1 2 543.414 3.364 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101069876 554574636 /nfs/dbraw/zinc/57/46/36/554574636.db2.gz SBKQNYSXVYKUHS-AYWGPLOBSA-N 1 2 543.414 3.364 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000101100234 554587145 /nfs/dbraw/zinc/58/71/45/554587145.db2.gz DSTRAIJUHDDDPH-ZHHPLPSFSA-N 1 2 543.414 3.364 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000101100235 554587106 /nfs/dbraw/zinc/58/71/06/554587106.db2.gz DSTRAIJUHDDDPH-AYWGPLOBSA-N 1 2 543.414 3.364 50 30 KGEALO C=CCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)SC1=S ZINC000101123905 554644451 /nfs/dbraw/zinc/64/44/51/554644451.db2.gz NNINHEUYLROROY-PXLXIMEGSA-N 1 2 547.662 3.133 50 30 KGEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)COC)CC1 ZINC000101236334 554690867 /nfs/dbraw/zinc/69/08/67/554690867.db2.gz BIKCATYLNBTEPE-HSZRJFAPSA-N 1 2 539.460 3.244 50 30 KGEALO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)COC)CC1 ZINC000101236334 554690864 /nfs/dbraw/zinc/69/08/64/554690864.db2.gz BIKCATYLNBTEPE-HSZRJFAPSA-N 1 2 539.460 3.244 50 30 KGEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@H+]1CCCN(C(=O)COC)CC1 ZINC000101236337 554690833 /nfs/dbraw/zinc/69/08/33/554690833.db2.gz BIKCATYLNBTEPE-QHCPKHFHSA-N 1 2 539.460 3.244 50 30 KGEALO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[N@@H+]1CCCN(C(=O)COC)CC1 ZINC000101236337 554690831 /nfs/dbraw/zinc/69/08/31/554690831.db2.gz BIKCATYLNBTEPE-QHCPKHFHSA-N 1 2 539.460 3.244 50 30 KGEALO C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCC[NH+]3CCOCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237584 554692176 /nfs/dbraw/zinc/69/21/76/554692176.db2.gz CMPASHNOGHBIKQ-IGKIAQTJSA-N 1 2 597.638 3.114 50 30 KGEALO C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCC[NH+]3CCOCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237586 554692153 /nfs/dbraw/zinc/69/21/53/554692153.db2.gz CMPASHNOGHBIKQ-RPLLCQBOSA-N 1 2 597.638 3.114 50 30 KGEALO C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCC[NH+]3CCOCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237587 554692180 /nfs/dbraw/zinc/69/21/80/554692180.db2.gz CMPASHNOGHBIKQ-SQHAQQRYSA-N 1 2 597.638 3.114 50 30 KGEALO C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCC[NH+]3CCOCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237590 554692221 /nfs/dbraw/zinc/69/22/21/554692221.db2.gz CMPASHNOGHBIKQ-SHQCIBLASA-N 1 2 597.638 3.114 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101286987 554706146 /nfs/dbraw/zinc/70/61/46/554706146.db2.gz YEVCUDDKGAXKNK-NXLSWJSLSA-N 1 2 507.543 3.304 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101286990 554706167 /nfs/dbraw/zinc/70/61/67/554706167.db2.gz YEVCUDDKGAXKNK-SBXHHDGASA-N 1 2 507.543 3.304 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101287022 554706107 /nfs/dbraw/zinc/70/61/07/554706107.db2.gz TVIFHFBBHWSDEW-NXLSWJSLSA-N 1 2 507.543 3.304 50 30 KGEALO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101287025 554706119 /nfs/dbraw/zinc/70/61/19/554706119.db2.gz TVIFHFBBHWSDEW-SBXHHDGASA-N 1 2 507.543 3.304 50 30 KGEALO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000101293856 554710316 /nfs/dbraw/zinc/71/03/16/554710316.db2.gz JTJUYQMEWIZJIP-CZNAVJSXSA-N 1 2 522.598 3.413 50 30 KGEALO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000101293860 554710270 /nfs/dbraw/zinc/71/02/70/554710270.db2.gz JTJUYQMEWIZJIP-CJJGVWJISA-N 1 2 522.598 3.413 50 30 KGEALO C=CCOc1ccccc1C[N@H+]1C[C@@H](n2nnc(C(=O)OC)c2C(=O)OC)C[C@H]1C(=O)NCc1ccc2ccccc2n1 ZINC000101320051 554727674 /nfs/dbraw/zinc/72/76/74/554727674.db2.gz WVUPJBFVPUJBJW-ZCYQVOJMSA-N 1 2 584.633 3.096 50 30 KGEALO C=CCOc1ccccc1C[N@@H+]1C[C@@H](n2nnc(C(=O)OC)c2C(=O)OC)C[C@H]1C(=O)NCc1ccc2ccccc2n1 ZINC000101320051 554727672 /nfs/dbraw/zinc/72/76/72/554727672.db2.gz WVUPJBFVPUJBJW-ZCYQVOJMSA-N 1 2 584.633 3.096 50 30 KGEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000101337515 554734350 /nfs/dbraw/zinc/73/43/50/554734350.db2.gz IVCNAWZBYNLOHK-AREMUKBSSA-N 1 2 553.681 3.080 50 30 KGEALO Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000101337518 554734559 /nfs/dbraw/zinc/73/45/59/554734559.db2.gz IVCNAWZBYNLOHK-SANMLTNESA-N 1 2 553.681 3.080 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000101337548 554734634 /nfs/dbraw/zinc/73/46/34/554734634.db2.gz KQIYMJNMYHMWDK-RUZDIDTESA-N 1 2 574.099 3.425 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000101337550 554734618 /nfs/dbraw/zinc/73/46/18/554734618.db2.gz KQIYMJNMYHMWDK-VWLOTQADSA-N 1 2 574.099 3.425 50 30 KGEALO Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000101337554 554734670 /nfs/dbraw/zinc/73/46/70/554734670.db2.gz IYOIKEFULIQPEO-HHHXNRCGSA-N 1 2 567.708 3.470 50 30 KGEALO Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000101337557 554734580 /nfs/dbraw/zinc/73/45/80/554734580.db2.gz IYOIKEFULIQPEO-MHZLTWQESA-N 1 2 567.708 3.470 50 30 KGEALO CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000101337562 554734543 /nfs/dbraw/zinc/73/45/43/554734543.db2.gz NYAWSWQDDWHTFE-RUZDIDTESA-N 1 2 559.660 3.157 50 30 KGEALO CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000101337565 554734568 /nfs/dbraw/zinc/73/45/68/554734568.db2.gz NYAWSWQDDWHTFE-VWLOTQADSA-N 1 2 559.660 3.157 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@@H]1c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000101337566 554734602 /nfs/dbraw/zinc/73/46/02/554734602.db2.gz BDEMRNGYCBYPIA-AREMUKBSSA-N 1 2 571.671 3.301 50 30 KGEALO O=C(C1=C(O)C(=O)N(CCC[NH+]2CCOCC2)[C@H]1c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000101337568 554734586 /nfs/dbraw/zinc/73/45/86/554734586.db2.gz BDEMRNGYCBYPIA-SANMLTNESA-N 1 2 571.671 3.301 50 30 KGEALO COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1OC ZINC000102483518 554937785 /nfs/dbraw/zinc/93/77/85/554937785.db2.gz NFHOGIJGFBWYAK-ZHHPLPSFSA-N 1 2 505.527 3.184 50 30 KGEALO COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1OC ZINC000102483525 554937561 /nfs/dbraw/zinc/93/75/61/554937561.db2.gz NFHOGIJGFBWYAK-AYWGPLOBSA-N 1 2 505.527 3.184 50 30 KGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000102490110 554939038 /nfs/dbraw/zinc/93/90/38/554939038.db2.gz UZIZUGNTJDITFC-KXCNXCNDSA-N 1 2 505.615 3.220 50 30 KGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000102490119 554939128 /nfs/dbraw/zinc/93/91/28/554939128.db2.gz UZIZUGNTJDITFC-ONLXDWTESA-N 1 2 505.615 3.220 50 30 KGEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(F)c2)cnn1-c1ccccc1 ZINC000102493763 554939971 /nfs/dbraw/zinc/93/99/71/554939971.db2.gz NWZODDVOJWOTFS-IUKMQXEJSA-N 1 2 504.562 3.464 50 30 KGEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(F)c2)cnn1-c1ccccc1 ZINC000102493776 554940100 /nfs/dbraw/zinc/94/01/00/554940100.db2.gz NWZODDVOJWOTFS-NPJIAGGLSA-N 1 2 504.562 3.464 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000102499256 554941934 /nfs/dbraw/zinc/94/19/34/554941934.db2.gz SQGZUPVNUHNGEZ-IUKMQXEJSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000102499265 554941878 /nfs/dbraw/zinc/94/18/78/554941878.db2.gz SQGZUPVNUHNGEZ-NPJIAGGLSA-N 1 2 510.587 3.165 50 30 KGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000102499665 554942135 /nfs/dbraw/zinc/94/21/35/554942135.db2.gz NFKQLQCHNPAZHZ-AYWGPLOBSA-N 1 2 507.543 3.430 50 30 KGEALO COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000102499675 554942242 /nfs/dbraw/zinc/94/22/42/554942242.db2.gz NFKQLQCHNPAZHZ-ZHHPLPSFSA-N 1 2 507.543 3.430 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102502829 554943761 /nfs/dbraw/zinc/94/37/61/554943761.db2.gz ORETYQPZSMNGAR-CZNAVJSXSA-N 1 2 516.598 3.333 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102502838 554943790 /nfs/dbraw/zinc/94/37/90/554943790.db2.gz ORETYQPZSMNGAR-CJJGVWJISA-N 1 2 516.598 3.333 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102513969 554947169 /nfs/dbraw/zinc/94/71/69/554947169.db2.gz QROWZGCZFCFCAH-ONQGDUAMSA-N 1 2 576.650 3.351 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000102513978 554947291 /nfs/dbraw/zinc/94/72/91/554947291.db2.gz QROWZGCZFCFCAH-UUALVTFQSA-N 1 2 576.650 3.351 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c(OC)c1 ZINC000102517157 554948227 /nfs/dbraw/zinc/94/82/27/554948227.db2.gz HTJPBMMCXKRFEG-IUKMQXEJSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c(OC)c1 ZINC000102517166 554948247 /nfs/dbraw/zinc/94/82/47/554948247.db2.gz HTJPBMMCXKRFEG-NPJIAGGLSA-N 1 2 510.587 3.165 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)c1C ZINC000102520148 554949346 /nfs/dbraw/zinc/94/93/46/554949346.db2.gz OMGWZLWIWDQOLP-BUANBSPESA-N 1 2 513.566 3.091 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C ZINC000102520159 554949374 /nfs/dbraw/zinc/94/93/74/554949374.db2.gz OMGWZLWIWDQOLP-COUQNMRISA-N 1 2 513.566 3.091 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Br)c2)c1C ZINC000102520351 554949328 /nfs/dbraw/zinc/94/93/28/554949328.db2.gz YEXDCHQNWKRLCR-HFEWCJDKSA-N 1 2 560.445 3.325 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Br)c2)c1C ZINC000102520360 554949365 /nfs/dbraw/zinc/94/93/65/554949365.db2.gz YEXDCHQNWKRLCR-IAMBOQNYSA-N 1 2 560.445 3.325 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(F)c2)c1C ZINC000102522839 554949972 /nfs/dbraw/zinc/94/99/72/554949972.db2.gz ZDRNXTDHKZNWFI-BUANBSPESA-N 1 2 513.566 3.091 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(F)c2)c1C ZINC000102522846 554949932 /nfs/dbraw/zinc/94/99/32/554949932.db2.gz ZDRNXTDHKZNWFI-COUQNMRISA-N 1 2 513.566 3.091 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000102525722 554951862 /nfs/dbraw/zinc/95/18/62/554951862.db2.gz JMOQDSGFASROCI-IUKMQXEJSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)c(C)c1 ZINC000102525727 554951835 /nfs/dbraw/zinc/95/18/35/554951835.db2.gz JMOQDSGFASROCI-NPJIAGGLSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102526818 554952196 /nfs/dbraw/zinc/95/21/96/554952196.db2.gz KASJUVYYZTYPMF-IUKMQXEJSA-N 1 2 540.613 3.173 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102526827 554952181 /nfs/dbraw/zinc/95/21/81/554952181.db2.gz KASJUVYYZTYPMF-NPJIAGGLSA-N 1 2 540.613 3.173 50 30 KGEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2F)cnn1-c1ccccc1 ZINC000102530720 554953604 /nfs/dbraw/zinc/95/36/04/554953604.db2.gz BLYLQEOBXFDUPS-IUKMQXEJSA-N 1 2 504.562 3.464 50 30 KGEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2F)cnn1-c1ccccc1 ZINC000102530730 554953612 /nfs/dbraw/zinc/95/36/12/554953612.db2.gz BLYLQEOBXFDUPS-NPJIAGGLSA-N 1 2 504.562 3.464 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102535631 554955363 /nfs/dbraw/zinc/95/53/63/554955363.db2.gz BFRLFKNWHMBZJW-SBXHHDGASA-N 1 2 505.527 3.184 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102535641 554955297 /nfs/dbraw/zinc/95/52/97/554955297.db2.gz BFRLFKNWHMBZJW-NXLSWJSLSA-N 1 2 505.527 3.184 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Br)cc2)c1C ZINC000102539452 554956970 /nfs/dbraw/zinc/95/69/70/554956970.db2.gz CEAOSRJYOJBJKR-HFEWCJDKSA-N 1 2 560.445 3.325 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000102539460 554957052 /nfs/dbraw/zinc/95/70/52/554957052.db2.gz CEAOSRJYOJBJKR-IAMBOQNYSA-N 1 2 560.445 3.325 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccs2)c1C ZINC000102539466 554957091 /nfs/dbraw/zinc/95/70/91/554957091.db2.gz HLRTWVSOGQEPSQ-PGVNHDJNSA-N 1 2 501.605 3.014 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccs2)c1C ZINC000102539472 554957098 /nfs/dbraw/zinc/95/70/98/554957098.db2.gz HLRTWVSOGQEPSQ-OBVHCKHUSA-N 1 2 501.605 3.014 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102543818 554958391 /nfs/dbraw/zinc/95/83/91/554958391.db2.gz OWQYQPLJLMBUHM-IUKMQXEJSA-N 1 2 540.613 3.173 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102543829 554958443 /nfs/dbraw/zinc/95/84/43/554958443.db2.gz OWQYQPLJLMBUHM-NPJIAGGLSA-N 1 2 540.613 3.173 50 30 KGEALO CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102545702 554959030 /nfs/dbraw/zinc/95/90/30/554959030.db2.gz DIFVEQSJKFFDFM-AYWGPLOBSA-N 1 2 582.506 3.388 50 30 KGEALO CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102545714 554959049 /nfs/dbraw/zinc/95/90/49/554959049.db2.gz DIFVEQSJKFFDFM-ZHHPLPSFSA-N 1 2 582.506 3.388 50 30 KGEALO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000102641877 554990750 /nfs/dbraw/zinc/99/07/50/554990750.db2.gz UZIZUGNTJDITFC-HUPAGYGUSA-N 1 2 505.615 3.220 50 30 KGEALO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+]4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1 ZINC000102641879 554990694 /nfs/dbraw/zinc/99/06/94/554990694.db2.gz UZIZUGNTJDITFC-NKHPTUSLSA-N 1 2 505.615 3.220 50 30 KGEALO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102710669 555016398 /nfs/dbraw/zinc/01/63/98/555016398.db2.gz QBDXIVUUHTXYBQ-CJJGVWJISA-N 1 2 522.598 3.391 50 30 KGEALO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102710670 555016479 /nfs/dbraw/zinc/01/64/79/555016479.db2.gz QBDXIVUUHTXYBQ-CZNAVJSXSA-N 1 2 522.598 3.391 50 30 KGEALO C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccccc1Cl ZINC000102747073 555040461 /nfs/dbraw/zinc/04/04/61/555040461.db2.gz SUHOXKZXDWXZHI-QHCPKHFHSA-N 1 2 517.051 3.483 50 30 KGEALO C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccccc1Cl ZINC000102747075 555040467 /nfs/dbraw/zinc/04/04/67/555040467.db2.gz SUHOXKZXDWXZHI-HSZRJFAPSA-N 1 2 517.051 3.483 50 30 KGEALO C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1ccc(C)cc1C ZINC000102763379 555053692 /nfs/dbraw/zinc/05/36/92/555053692.db2.gz SKTKNDSUTQNNRL-RUZDIDTESA-N 1 2 510.660 3.446 50 30 KGEALO C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1ccc(C)cc1C ZINC000102763382 555053776 /nfs/dbraw/zinc/05/37/76/555053776.db2.gz SKTKNDSUTQNNRL-VWLOTQADSA-N 1 2 510.660 3.446 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102856687 555088121 /nfs/dbraw/zinc/08/81/21/555088121.db2.gz WPYMDWUSNHWCBT-MOBKVPTQSA-N 1 2 515.950 3.401 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102856690 555087971 /nfs/dbraw/zinc/08/79/71/555087971.db2.gz WPYMDWUSNHWCBT-HOGKFDNTSA-N 1 2 515.950 3.401 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102857852 555089111 /nfs/dbraw/zinc/08/91/11/555089111.db2.gz LPJNGULNIRPDBI-BUANBSPESA-N 1 2 522.558 3.144 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102857852 555089108 /nfs/dbraw/zinc/08/91/08/555089108.db2.gz LPJNGULNIRPDBI-BUANBSPESA-N 1 2 522.558 3.144 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102857854 555089098 /nfs/dbraw/zinc/08/90/98/555089098.db2.gz LPJNGULNIRPDBI-COUQNMRISA-N 1 2 522.558 3.144 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102857854 555089095 /nfs/dbraw/zinc/08/90/95/555089095.db2.gz LPJNGULNIRPDBI-COUQNMRISA-N 1 2 522.558 3.144 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(C)cc2)c1C ZINC000102860883 555091325 /nfs/dbraw/zinc/09/13/25/555091325.db2.gz VUZUHRNRTWINNJ-UVDRRRQGSA-N 1 2 509.603 3.261 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(C)cc2)c1C ZINC000102860886 555091240 /nfs/dbraw/zinc/09/12/40/555091240.db2.gz VUZUHRNRTWINNJ-ZZIWUOEGSA-N 1 2 509.603 3.261 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102864462 555094200 /nfs/dbraw/zinc/09/42/00/555094200.db2.gz HVYORBNAZDAOCJ-AYWGPLOBSA-N 1 2 507.543 3.430 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3cc[nH+]c3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102864464 555094193 /nfs/dbraw/zinc/09/41/93/555094193.db2.gz HVYORBNAZDAOCJ-ZHHPLPSFSA-N 1 2 507.543 3.430 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102865240 555094934 /nfs/dbraw/zinc/09/49/34/555094934.db2.gz VOWJNXUUVHCYJF-NPJIAGGLSA-N 1 2 510.587 3.247 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102865242 555094904 /nfs/dbraw/zinc/09/49/04/555094904.db2.gz VOWJNXUUVHCYJF-IUKMQXEJSA-N 1 2 510.587 3.247 50 30 KGEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102865421 555095216 /nfs/dbraw/zinc/09/52/16/555095216.db2.gz OENAJYCSUYYJHP-IUKMQXEJSA-N 1 2 510.587 3.247 50 30 KGEALO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102865424 555095279 /nfs/dbraw/zinc/09/52/79/555095279.db2.gz OENAJYCSUYYJHP-NPJIAGGLSA-N 1 2 510.587 3.247 50 30 KGEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000102865515 555095178 /nfs/dbraw/zinc/09/51/78/555095178.db2.gz CFDLIEKPXWLUNX-IUKMQXEJSA-N 1 2 504.562 3.464 50 30 KGEALO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000102865518 555095283 /nfs/dbraw/zinc/09/52/83/555095283.db2.gz CFDLIEKPXWLUNX-NPJIAGGLSA-N 1 2 504.562 3.464 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c(C)c1 ZINC000102865697 555095292 /nfs/dbraw/zinc/09/52/92/555095292.db2.gz LGZYKKZZKXQJSX-IUKMQXEJSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c(C)c1 ZINC000102865701 555095260 /nfs/dbraw/zinc/09/52/60/555095260.db2.gz LGZYKKZZKXQJSX-NPJIAGGLSA-N 1 2 510.587 3.165 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000102870089 555100154 /nfs/dbraw/zinc/10/01/54/555100154.db2.gz ZEWSMEVEFDEUTK-SBXHHDGASA-N 1 2 535.553 3.192 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000102870091 555100101 /nfs/dbraw/zinc/10/01/01/555100101.db2.gz ZEWSMEVEFDEUTK-NXLSWJSLSA-N 1 2 535.553 3.192 50 30 KGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102872164 555102754 /nfs/dbraw/zinc/10/27/54/555102754.db2.gz UUYNPQDUNKGNQR-SBXHHDGASA-N 1 2 505.527 3.184 50 30 KGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c1 ZINC000102872166 555102733 /nfs/dbraw/zinc/10/27/33/555102733.db2.gz UUYNPQDUNKGNQR-NXLSWJSLSA-N 1 2 505.527 3.184 50 30 KGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102874320 555104491 /nfs/dbraw/zinc/10/44/91/555104491.db2.gz HJAFPXTZMCWKLH-ONQGDUAMSA-N 1 2 546.624 3.342 50 30 KGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102874323 555104619 /nfs/dbraw/zinc/10/46/19/555104619.db2.gz HJAFPXTZMCWKLH-UUALVTFQSA-N 1 2 546.624 3.342 50 30 KGEALO COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1OC ZINC000102874585 555104811 /nfs/dbraw/zinc/10/48/11/555104811.db2.gz PMYVUMURLRDMRJ-CZNAVJSXSA-N 1 2 546.624 3.342 50 30 KGEALO COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1OC ZINC000102874588 555104830 /nfs/dbraw/zinc/10/48/30/555104830.db2.gz PMYVUMURLRDMRJ-CJJGVWJISA-N 1 2 546.624 3.342 50 30 KGEALO CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102876188 555106164 /nfs/dbraw/zinc/10/61/64/555106164.db2.gz WBGLTLXTMJFLBD-CJJGVWJISA-N 1 2 555.697 3.204 50 30 KGEALO CC(C)c1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102876191 555106266 /nfs/dbraw/zinc/10/62/66/555106266.db2.gz WBGLTLXTMJFLBD-CZNAVJSXSA-N 1 2 555.697 3.204 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000102879567 555108757 /nfs/dbraw/zinc/10/87/57/555108757.db2.gz RDMDCYXRSCDSAD-NHFXJNLRSA-N 1 2 512.588 3.494 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc(OC)c1OC ZINC000102879568 555108766 /nfs/dbraw/zinc/10/87/66/555108766.db2.gz RDMDCYXRSCDSAD-YDJIHCHBSA-N 1 2 512.588 3.494 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102880545 555109333 /nfs/dbraw/zinc/10/93/33/555109333.db2.gz SGPLSJWKAHCZNQ-NPJIAGGLSA-N 1 2 510.587 3.247 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000102880547 555109293 /nfs/dbraw/zinc/10/92/93/555109293.db2.gz SGPLSJWKAHCZNQ-IUKMQXEJSA-N 1 2 510.587 3.247 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102881934 555110418 /nfs/dbraw/zinc/11/04/18/555110418.db2.gz JKOVASMUJCCKDP-CJJGVWJISA-N 1 2 538.597 3.009 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102881935 555110442 /nfs/dbraw/zinc/11/04/42/555110442.db2.gz JKOVASMUJCCKDP-CZNAVJSXSA-N 1 2 538.597 3.009 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000102882100 555110440 /nfs/dbraw/zinc/11/04/40/555110440.db2.gz NQJXNZBFTNBHFT-SBXHHDGASA-N 1 2 505.527 3.184 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)c(OC)c1 ZINC000102882102 555110506 /nfs/dbraw/zinc/11/05/06/555110506.db2.gz NQJXNZBFTNBHFT-NXLSWJSLSA-N 1 2 505.527 3.184 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C ZINC000102882767 555111077 /nfs/dbraw/zinc/11/10/77/555111077.db2.gz ARFUOKITEGFBQD-HFEWCJDKSA-N 1 2 515.994 3.216 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000102882770 555111062 /nfs/dbraw/zinc/11/10/62/555111062.db2.gz ARFUOKITEGFBQD-IAMBOQNYSA-N 1 2 515.994 3.216 50 30 KGEALO CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102885798 555116154 /nfs/dbraw/zinc/11/61/54/555116154.db2.gz FQBCKERYZFXQOB-NPJIAGGLSA-N 1 2 508.571 3.001 50 30 KGEALO CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102885799 555116118 /nfs/dbraw/zinc/11/61/18/555116118.db2.gz FQBCKERYZFXQOB-IUKMQXEJSA-N 1 2 508.571 3.001 50 30 KGEALO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102886000 555116335 /nfs/dbraw/zinc/11/63/35/555116335.db2.gz IPZNCHOSDSDTNJ-UUALVTFQSA-N 1 2 552.624 3.399 50 30 KGEALO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OCC ZINC000102886003 555116432 /nfs/dbraw/zinc/11/64/32/555116432.db2.gz IPZNCHOSDSDTNJ-ONQGDUAMSA-N 1 2 552.624 3.399 50 30 KGEALO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000102889350 555123526 /nfs/dbraw/zinc/12/35/26/555123526.db2.gz NJRSQJHPFPIFOC-UHFFFAOYSA-N 1 2 579.673 3.077 50 30 KGEALO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000102890771 555126199 /nfs/dbraw/zinc/12/61/99/555126199.db2.gz HWTGROPCYSADFT-SBXHHDGASA-N 1 2 505.527 3.271 50 30 KGEALO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2cc[nH+]c2)ccc1O ZINC000102890774 555126256 /nfs/dbraw/zinc/12/62/56/555126256.db2.gz HWTGROPCYSADFT-NXLSWJSLSA-N 1 2 505.527 3.271 50 30 KGEALO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(Br)c1O ZINC000102895196 555133716 /nfs/dbraw/zinc/13/37/16/555133716.db2.gz OUWHOJHUTHORPK-ZHHPLPSFSA-N 1 2 589.439 3.079 50 30 KGEALO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc(Br)c1O ZINC000102895197 555133702 /nfs/dbraw/zinc/13/37/02/555133702.db2.gz OUWHOJHUTHORPK-AYWGPLOBSA-N 1 2 589.439 3.079 50 30 KGEALO COc1cccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102925585 555149923 /nfs/dbraw/zinc/14/99/23/555149923.db2.gz BUXNTXOEVDYNSL-CZNAVJSXSA-N 1 2 516.598 3.333 50 30 KGEALO COc1cccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102925589 555149880 /nfs/dbraw/zinc/14/98/80/555149880.db2.gz BUXNTXOEVDYNSL-CJJGVWJISA-N 1 2 516.598 3.333 50 30 KGEALO COc1ccccc1[C@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000102927798 555152690 /nfs/dbraw/zinc/15/26/90/555152690.db2.gz WBSXSVJDUNGPQL-CZNAVJSXSA-N 1 2 516.598 3.333 50 30 KGEALO COc1ccccc1[C@@H]1C(C(=O)c2cnn(-c3ccccc3)c2C)=C(O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000102927799 555152682 /nfs/dbraw/zinc/15/26/82/555152682.db2.gz WBSXSVJDUNGPQL-CJJGVWJISA-N 1 2 516.598 3.333 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102927952 555152882 /nfs/dbraw/zinc/15/28/82/555152882.db2.gz HFINTVPUBQUVRT-MOBKVPTQSA-N 1 2 515.950 3.401 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102927955 555152886 /nfs/dbraw/zinc/15/28/86/555152886.db2.gz HFINTVPUBQUVRT-HOGKFDNTSA-N 1 2 515.950 3.401 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccccc2F)c1C ZINC000102928303 555153705 /nfs/dbraw/zinc/15/37/05/555153705.db2.gz KLAKSZOATOZRGN-BUANBSPESA-N 1 2 513.566 3.091 50 30 KGEALO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccccc2F)c1C ZINC000102928305 555153756 /nfs/dbraw/zinc/15/37/56/555153756.db2.gz KLAKSZOATOZRGN-COUQNMRISA-N 1 2 513.566 3.091 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000102928352 555153700 /nfs/dbraw/zinc/15/37/00/555153700.db2.gz HPUYFHSBKSXPHB-HFEWCJDKSA-N 1 2 515.994 3.216 50 30 KGEALO COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000102928353 555153770 /nfs/dbraw/zinc/15/37/70/555153770.db2.gz HPUYFHSBKSXPHB-IAMBOQNYSA-N 1 2 515.994 3.216 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1C ZINC000102928823 555154526 /nfs/dbraw/zinc/15/45/26/555154526.db2.gz OKKFPEFYSRVHBG-NXLSWJSLSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000102928825 555154432 /nfs/dbraw/zinc/15/44/32/555154432.db2.gz OKKFPEFYSRVHBG-SBXHHDGASA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102929446 555155306 /nfs/dbraw/zinc/15/53/06/555155306.db2.gz QWRAUUSIDUEKNC-IUKMQXEJSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102929448 555155261 /nfs/dbraw/zinc/15/52/61/555155261.db2.gz QWRAUUSIDUEKNC-NPJIAGGLSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102930572 555157317 /nfs/dbraw/zinc/15/73/17/555157317.db2.gz WIZRQJZNJJPHPM-IUKMQXEJSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000102930573 555157407 /nfs/dbraw/zinc/15/74/07/555157407.db2.gz WIZRQJZNJJPHPM-NPJIAGGLSA-N 1 2 510.587 3.165 50 30 KGEALO CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102930680 555157634 /nfs/dbraw/zinc/15/76/34/555157634.db2.gz GCAZSJCPASKXQO-NPJIAGGLSA-N 1 2 510.587 3.252 50 30 KGEALO CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCC[NH+]2CCOCC2)ccc1O ZINC000102930681 555157592 /nfs/dbraw/zinc/15/75/92/555157592.db2.gz GCAZSJCPASKXQO-IUKMQXEJSA-N 1 2 510.587 3.252 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102931624 555159249 /nfs/dbraw/zinc/15/92/49/555159249.db2.gz BQXQBNOWMHFUBY-ONQGDUAMSA-N 1 2 546.624 3.342 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000102931626 555159095 /nfs/dbraw/zinc/15/90/95/555159095.db2.gz BQXQBNOWMHFUBY-UUALVTFQSA-N 1 2 546.624 3.342 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@H]2c2cccc(OC)c2OC)c(C)c1 ZINC000102932101 555159722 /nfs/dbraw/zinc/15/97/22/555159722.db2.gz UNOOIYRINOVEDV-NXLSWJSLSA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+]3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c(C)c1 ZINC000102932105 555159701 /nfs/dbraw/zinc/15/97/01/555159701.db2.gz UNOOIYRINOVEDV-SBXHHDGASA-N 1 2 510.587 3.165 50 30 KGEALO COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102932736 555160291 /nfs/dbraw/zinc/16/02/91/555160291.db2.gz LNWZFXSGNZFTQI-UVDRRRQGSA-N 1 2 501.543 3.368 50 30 KGEALO COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCn2cc[nH+]c2)cc1OC ZINC000102932737 555160251 /nfs/dbraw/zinc/16/02/51/555160251.db2.gz LNWZFXSGNZFTQI-ZZIWUOEGSA-N 1 2 501.543 3.368 50 30 KGEALO CCCCCCCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4C#N)CC3)cc(=O)[nH]2)CC1 ZINC000102996082 555195425 /nfs/dbraw/zinc/19/54/25/555195425.db2.gz VOHTZLCWRAAGMW-UHFFFAOYSA-N 1 2 519.694 3.363 50 30 KGEALO CCCCCCCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4OC)CC3)cc(=O)[nH]2)CC1 ZINC000102996087 555195528 /nfs/dbraw/zinc/19/55/28/555195528.db2.gz JZIUMBCZFHQOHE-UHFFFAOYSA-N 1 2 524.710 3.500 50 30 KGEALO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000103003248 555202165 /nfs/dbraw/zinc/20/21/65/555202165.db2.gz QAOJTWPLPLQSGM-VWLOTQADSA-N 1 2 527.593 3.310 50 30 KGEALO N#Cc1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000103003250 555202163 /nfs/dbraw/zinc/20/21/63/555202163.db2.gz QAOJTWPLPLQSGM-RUZDIDTESA-N 1 2 527.593 3.310 50 30 KGEALO CCCCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5C#N)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103023034 555214136 /nfs/dbraw/zinc/21/41/36/555214136.db2.gz VWVHBLOCPNNYBV-UHFFFAOYSA-N 1 2 539.684 3.269 50 30 KGEALO CCCCOc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5C#N)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103133742 555303322 /nfs/dbraw/zinc/30/33/22/555303322.db2.gz IVSXCTBYNPRDFI-UHFFFAOYSA-N 1 2 555.683 3.105 50 30 KGEALO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3F)(C(=O)NCC[NH+]3CCOCC3)C[C@H](OCc3ccc(C#N)cc3)[C@@H]2O1 ZINC000103251701 555344190 /nfs/dbraw/zinc/34/41/90/555344190.db2.gz IPFZORMALDDMDX-SMXDRTIVSA-N 1 2 585.648 3.440 50 30 KGEALO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)cc3F)(C(=O)NCC[NH+]3CCOCC3)C[C@@H](OCc3ccc(C#N)cc3)[C@@H]2O1 ZINC000103251703 555344197 /nfs/dbraw/zinc/34/41/97/555344197.db2.gz IPFZORMALDDMDX-FATKCUQPSA-N 1 2 585.648 3.440 50 30 KGEALO N#CC1(c2ccccc2)CCN(C(=O)CN2CC[NH+](CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000252509132 572261936 /nfs/dbraw/zinc/26/19/36/572261936.db2.gz YCWKVBZGZLJFBB-UHFFFAOYSA-N 1 2 535.648 3.137 50 30 KGEALO N#CC1(c2ccccc2)CCN(C(=O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000252509132 572261935 /nfs/dbraw/zinc/26/19/35/572261935.db2.gz YCWKVBZGZLJFBB-UHFFFAOYSA-N 1 2 535.648 3.137 50 30 KGEALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000252679627 572281425 /nfs/dbraw/zinc/28/14/25/572281425.db2.gz PJDZVGORNGZUSW-ATAWEGFHSA-N 1 2 554.688 3.266 50 30 KGEALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000252679627 572281423 /nfs/dbraw/zinc/28/14/23/572281423.db2.gz PJDZVGORNGZUSW-ATAWEGFHSA-N 1 2 554.688 3.266 50 30 KGEALO COC(=O)C[C@@H](c1ccc(C#N)cc1)c1oc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O ZINC000253413918 572288760 /nfs/dbraw/zinc/28/87/60/572288760.db2.gz VZOUJZWEKRJWRN-DEOSSOPVSA-N 1 2 503.555 3.243 50 30 KGEALO COC(=O)C[C@H](c1ccc(C#N)cc1)c1oc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O ZINC000253413927 572288712 /nfs/dbraw/zinc/28/87/12/572288712.db2.gz VZOUJZWEKRJWRN-XMMPIXPASA-N 1 2 503.555 3.243 50 30 KGEALO CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3[nH+]c4ccccc4n3C)C1=O)O2 ZINC000253414067 572288775 /nfs/dbraw/zinc/28/87/75/572288775.db2.gz WJNXSKVYBWGBPH-BSKIJULFSA-N 1 2 501.539 3.288 50 30 KGEALO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3Cl)C[N@@H+]2C)c(Cl)c1 ZINC000253427038 572289320 /nfs/dbraw/zinc/28/93/20/572289320.db2.gz KQYJECCAKMIXJK-CVEARBPZSA-N 1 2 507.461 3.367 50 30 KGEALO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3Cl)C[N@H+]2C)c(Cl)c1 ZINC000253427038 572289318 /nfs/dbraw/zinc/28/93/18/572289318.db2.gz KQYJECCAKMIXJK-CVEARBPZSA-N 1 2 507.461 3.367 50 30 KGEALO Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3Cl)C[N@@H+]2C)c(Cl)c1 ZINC000253427040 572289345 /nfs/dbraw/zinc/28/93/45/572289345.db2.gz KQYJECCAKMIXJK-HOTGVXAUSA-N 1 2 507.461 3.367 50 30 KGEALO Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3Cl)C[N@H+]2C)c(Cl)c1 ZINC000253427040 572289344 /nfs/dbraw/zinc/28/93/44/572289344.db2.gz KQYJECCAKMIXJK-HOTGVXAUSA-N 1 2 507.461 3.367 50 30 KGEALO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3Cl)C[N@@H+]2C)c(Cl)c1 ZINC000253427041 572289265 /nfs/dbraw/zinc/28/92/65/572289265.db2.gz KQYJECCAKMIXJK-HZPDHXFCSA-N 1 2 507.461 3.367 50 30 KGEALO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3Cl)C[N@H+]2C)c(Cl)c1 ZINC000253427041 572289263 /nfs/dbraw/zinc/28/92/63/572289263.db2.gz KQYJECCAKMIXJK-HZPDHXFCSA-N 1 2 507.461 3.367 50 30 KGEALO Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3Cl)C[N@@H+]2C)c(Cl)c1 ZINC000253427044 572289364 /nfs/dbraw/zinc/28/93/64/572289364.db2.gz KQYJECCAKMIXJK-JKSUJKDBSA-N 1 2 507.461 3.367 50 30 KGEALO Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3Cl)C[N@H+]2C)c(Cl)c1 ZINC000253427044 572289363 /nfs/dbraw/zinc/28/93/63/572289363.db2.gz KQYJECCAKMIXJK-JKSUJKDBSA-N 1 2 507.461 3.367 50 30 KGEALO C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4ccncc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@H]1O ZINC000253498655 572292768 /nfs/dbraw/zinc/29/27/68/572292768.db2.gz INXTZNZYPHZPHA-DCBPRNBWSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4ccncc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@H]1O ZINC000253498656 572292781 /nfs/dbraw/zinc/29/27/81/572292781.db2.gz INXTZNZYPHZPHA-MVWQQUOVSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4ccncc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O ZINC000253498657 572292775 /nfs/dbraw/zinc/29/27/75/572292775.db2.gz INXTZNZYPHZPHA-TUVHZGBISA-N 1 2 624.775 3.246 50 30 KGEALO C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4ccncc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O ZINC000253498658 572292770 /nfs/dbraw/zinc/29/27/70/572292770.db2.gz INXTZNZYPHZPHA-XQPDJWPPSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4cccnc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@H]1O ZINC000253499448 572293604 /nfs/dbraw/zinc/29/36/04/572293604.db2.gz HGJKGQUGPACAGO-DCBPRNBWSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4cccnc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@H]1O ZINC000253499449 572293609 /nfs/dbraw/zinc/29/36/09/572293609.db2.gz HGJKGQUGPACAGO-MVWQQUOVSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4cccnc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O ZINC000253499450 572293611 /nfs/dbraw/zinc/29/36/11/572293611.db2.gz HGJKGQUGPACAGO-TUVHZGBISA-N 1 2 624.775 3.246 50 30 KGEALO C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4cccnc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O ZINC000253499451 572293584 /nfs/dbraw/zinc/29/35/84/572293584.db2.gz HGJKGQUGPACAGO-XQPDJWPPSA-N 1 2 624.775 3.246 50 30 KGEALO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]12 ZINC000253501541 572294766 /nfs/dbraw/zinc/29/47/66/572294766.db2.gz BULBTDPFRMAGQW-CMQLXZOASA-N 1 2 524.662 3.472 50 30 KGEALO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]12 ZINC000253501541 572294765 /nfs/dbraw/zinc/29/47/65/572294765.db2.gz BULBTDPFRMAGQW-CMQLXZOASA-N 1 2 524.662 3.472 50 30 KGEALO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 ZINC000253501542 572294788 /nfs/dbraw/zinc/29/47/88/572294788.db2.gz BULBTDPFRMAGQW-MXXMSSIWSA-N 1 2 524.662 3.472 50 30 KGEALO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 ZINC000253501542 572294787 /nfs/dbraw/zinc/29/47/87/572294787.db2.gz BULBTDPFRMAGQW-MXXMSSIWSA-N 1 2 524.662 3.472 50 30 KGEALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 ZINC000253501543 572294727 /nfs/dbraw/zinc/29/47/27/572294727.db2.gz BULBTDPFRMAGQW-NGOFASLSSA-N 1 2 524.662 3.472 50 30 KGEALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12 ZINC000253501543 572294726 /nfs/dbraw/zinc/29/47/26/572294726.db2.gz BULBTDPFRMAGQW-NGOFASLSSA-N 1 2 524.662 3.472 50 30 KGEALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]12 ZINC000253501544 572294757 /nfs/dbraw/zinc/29/47/57/572294757.db2.gz BULBTDPFRMAGQW-XYXKBGQISA-N 1 2 524.662 3.472 50 30 KGEALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]12 ZINC000253501544 572294756 /nfs/dbraw/zinc/29/47/56/572294756.db2.gz BULBTDPFRMAGQW-XYXKBGQISA-N 1 2 524.662 3.472 50 30 KGEALO C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4cccnc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@@H](O)[C@@H]1O ZINC000253504962 572296832 /nfs/dbraw/zinc/29/68/32/572296832.db2.gz HGJKGQUGPACAGO-KKVICOJUSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4cccnc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@@H]1O ZINC000253504966 572296870 /nfs/dbraw/zinc/29/68/70/572296870.db2.gz HGJKGQUGPACAGO-KVHCUITFSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4cccnc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@@H](O)[C@H]1O ZINC000253504973 572296863 /nfs/dbraw/zinc/29/68/63/572296863.db2.gz HGJKGQUGPACAGO-VKNDUNPNSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4cccnc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@H]1O ZINC000253504977 572296825 /nfs/dbraw/zinc/29/68/25/572296825.db2.gz HGJKGQUGPACAGO-XVFAWLRISA-N 1 2 624.775 3.246 50 30 KGEALO C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4ccncc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@@H](O)[C@@H]1O ZINC000253505217 572296956 /nfs/dbraw/zinc/29/69/56/572296956.db2.gz INXTZNZYPHZPHA-KKVICOJUSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4ccncc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@@H]1O ZINC000253505218 572296978 /nfs/dbraw/zinc/29/69/78/572296978.db2.gz INXTZNZYPHZPHA-KVHCUITFSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4ccncc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@@H](O)[C@H]1O ZINC000253505221 572296968 /nfs/dbraw/zinc/29/69/68/572296968.db2.gz INXTZNZYPHZPHA-VKNDUNPNSA-N 1 2 624.775 3.246 50 30 KGEALO C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=[NH+]/Cc4ccncc4)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@H]1O ZINC000253505226 572296951 /nfs/dbraw/zinc/29/69/51/572296951.db2.gz INXTZNZYPHZPHA-XVFAWLRISA-N 1 2 624.775 3.246 50 30 KGEALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253533670 572299531 /nfs/dbraw/zinc/29/95/31/572299531.db2.gz PJDZVGORNGZUSW-RDYGGXDKSA-N 1 2 554.688 3.266 50 30 KGEALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253533670 572299529 /nfs/dbraw/zinc/29/95/29/572299529.db2.gz PJDZVGORNGZUSW-RDYGGXDKSA-N 1 2 554.688 3.266 50 30 KGEALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253533672 572299519 /nfs/dbraw/zinc/29/95/19/572299519.db2.gz PJDZVGORNGZUSW-WKPYSDFXSA-N 1 2 554.688 3.266 50 30 KGEALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253533672 572299517 /nfs/dbraw/zinc/29/95/17/572299517.db2.gz PJDZVGORNGZUSW-WKPYSDFXSA-N 1 2 554.688 3.266 50 30 KGEALO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253533674 572299546 /nfs/dbraw/zinc/29/95/46/572299546.db2.gz PJDZVGORNGZUSW-ZCPNDPPOSA-N 1 2 554.688 3.266 50 30 KGEALO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253533674 572299544 /nfs/dbraw/zinc/29/95/44/572299544.db2.gz PJDZVGORNGZUSW-ZCPNDPPOSA-N 1 2 554.688 3.266 50 30 KGEALO C=CCn1c(=O)c(=Cc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)sc1=C(C#N)C(=O)N1CC[NH+](C)CC1 ZINC000254789419 1060015602 /nfs/dbraw/zinc/01/56/02/1060015602.db2.gz QULZLIAWWRCLNB-UHFFFAOYSA-N 1 2 563.001 3.305 50 30 KGEALO C=CCOc1ccccc1C[N@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000299789953 572137516 /nfs/dbraw/zinc/13/75/16/572137516.db2.gz AVARJSWKEFVRNU-GJZUVCINSA-N 1 2 528.613 3.285 50 30 KGEALO C=CCOc1ccccc1C[N@@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000299789953 572137512 /nfs/dbraw/zinc/13/75/12/572137512.db2.gz AVARJSWKEFVRNU-GJZUVCINSA-N 1 2 528.613 3.285 50 30 KGEALO COc1c2c(c(Br)c3c1C=C(C(=O)c1ccc(NC(=O)C[NH+](C)C)cc1)N(C)CC3)OCO2 ZINC000524730730 1059013377 /nfs/dbraw/zinc/01/33/77/1059013377.db2.gz UZTDETXUCPDHTK-UHFFFAOYSA-N 1 2 516.392 3.398 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(O)c(OC)c1 ZINC000604403846 1059561508 /nfs/dbraw/zinc/56/15/08/1059561508.db2.gz AIBJFLCOAJBTAI-CODKEZOGSA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1ccc(O)c(OC)c1 ZINC000604403847 1059561919 /nfs/dbraw/zinc/56/19/19/1059561919.db2.gz AIBJFLCOAJBTAI-LEALQQJZSA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000604404158 1059562524 /nfs/dbraw/zinc/56/25/24/1059562524.db2.gz KHVVXIMVPMQGRA-FCUNYMOISA-N 1 2 568.970 3.216 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000604404161 1059562705 /nfs/dbraw/zinc/56/27/05/1059562705.db2.gz KHVVXIMVPMQGRA-KYZYYZSESA-N 1 2 568.970 3.216 50 30 KGEALO COc1cc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc2c1OCO2 ZINC000604404202 1059562867 /nfs/dbraw/zinc/56/28/67/1059562867.db2.gz LFRDHHHTCDLSSV-FCUNYMOISA-N 1 2 566.954 3.231 50 30 KGEALO COc1cc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc2c1OCO2 ZINC000604404203 1059562567 /nfs/dbraw/zinc/56/25/67/1059562567.db2.gz LFRDHHHTCDLSSV-KYZYYZSESA-N 1 2 566.954 3.231 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(OC)c(O)c1 ZINC000604404461 1059563970 /nfs/dbraw/zinc/56/39/70/1059563970.db2.gz NZUYYKABWAYVTD-CODKEZOGSA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1ccc(OC)c(O)c1 ZINC000604404462 1059564037 /nfs/dbraw/zinc/56/40/37/1059564037.db2.gz NZUYYKABWAYVTD-LEALQQJZSA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1cccc(O)c1 ZINC000604404670 1059564600 /nfs/dbraw/zinc/56/46/00/1059564600.db2.gz QISYPVWJLAABFW-IKBQRWJCSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1cccc(O)c1 ZINC000604404672 1059564635 /nfs/dbraw/zinc/56/46/35/1059564635.db2.gz QISYPVWJLAABFW-RPOQTDPKSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc2c(c1)OCO2 ZINC000604404957 1059564976 /nfs/dbraw/zinc/56/49/76/1059564976.db2.gz MRYCWJLVEASATH-CODKEZOGSA-N 1 2 536.928 3.222 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1ccc2c(c1)OCO2 ZINC000604404958 1059565107 /nfs/dbraw/zinc/56/51/07/1059565107.db2.gz MRYCWJLVEASATH-LEALQQJZSA-N 1 2 536.928 3.222 50 30 KGEALO COC(=O)c1ccc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc1 ZINC000604405001 1059565038 /nfs/dbraw/zinc/56/50/38/1059565038.db2.gz ODOYDEALTOSLGT-UBPGFGQBSA-N 1 2 550.955 3.280 50 30 KGEALO COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc1 ZINC000604405007 1059565479 /nfs/dbraw/zinc/56/54/79/1059565479.db2.gz ODOYDEALTOSLGT-YWZBUZFDSA-N 1 2 550.955 3.280 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1ccc(O)cc1 ZINC000604405335 1059566243 /nfs/dbraw/zinc/56/62/43/1059566243.db2.gz ZHRDKQXWUNUEDT-IKBQRWJCSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(O)cc1 ZINC000604405336 1059566200 /nfs/dbraw/zinc/56/62/00/1059566200.db2.gz ZHRDKQXWUNUEDT-RPOQTDPKSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc([C@@H]2C3=C(C[C@@H](C)[C@@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc2c1OCO2 ZINC000888088673 1059123787 /nfs/dbraw/zinc/12/37/87/1059123787.db2.gz LFRDHHHTCDLSSV-CAOYDVMSSA-N 1 2 566.954 3.231 50 30 KGEALO COc1cc([C@H]2C3=C(C[C@H](C)[C@@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc2c1OCO2 ZINC000888088674 1059123756 /nfs/dbraw/zinc/12/37/56/1059123756.db2.gz LFRDHHHTCDLSSV-FTCHYOMISA-N 1 2 566.954 3.231 50 30 KGEALO COc1cc([C@@H]2C3=C(C[C@H](C)[C@@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc2c1OCO2 ZINC000888088675 1059123837 /nfs/dbraw/zinc/12/38/37/1059123837.db2.gz LFRDHHHTCDLSSV-JHWLWUGZSA-N 1 2 566.954 3.231 50 30 KGEALO COc1cc([C@H]2C3=C(C[C@@H](C)[C@@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc2c1OCO2 ZINC000888088676 1059123862 /nfs/dbraw/zinc/12/38/62/1059123862.db2.gz LFRDHHHTCDLSSV-OPXGYXEYSA-N 1 2 566.954 3.231 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(OC)c(O)c1 ZINC000888089196 1059126775 /nfs/dbraw/zinc/12/67/75/1059126775.db2.gz NZUYYKABWAYVTD-KWJUOBBMSA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(OC)c(O)c1 ZINC000888089197 1059126819 /nfs/dbraw/zinc/12/68/19/1059126819.db2.gz NZUYYKABWAYVTD-OCJOGERXSA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(OC)c(O)c1 ZINC000888089198 1059126884 /nfs/dbraw/zinc/12/68/84/1059126884.db2.gz NZUYYKABWAYVTD-UJUXKLNESA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1ccc2c(c1)OCO2 ZINC000888089545 1059128022 /nfs/dbraw/zinc/12/80/22/1059128022.db2.gz MRYCWJLVEASATH-HQIAJYGASA-N 1 2 536.928 3.222 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc2c(c1)OCO2 ZINC000888089546 1059127980 /nfs/dbraw/zinc/12/79/80/1059127980.db2.gz MRYCWJLVEASATH-OCJOGERXSA-N 1 2 536.928 3.222 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc2c(c1)OCO2 ZINC000888089547 1059127807 /nfs/dbraw/zinc/12/78/07/1059127807.db2.gz MRYCWJLVEASATH-UJUXKLNESA-N 1 2 536.928 3.222 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@H]2c1ccc2c(c1)OCO2 ZINC000888089548 1059127871 /nfs/dbraw/zinc/12/78/71/1059127871.db2.gz MRYCWJLVEASATH-ZPGRPVIZSA-N 1 2 536.928 3.222 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000888089825 1059129101 /nfs/dbraw/zinc/12/91/01/1059129101.db2.gz KHVVXIMVPMQGRA-APATXLDGSA-N 1 2 568.970 3.216 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000888089826 1059129079 /nfs/dbraw/zinc/12/90/79/1059129079.db2.gz KHVVXIMVPMQGRA-CAOYDVMSSA-N 1 2 568.970 3.216 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000888089827 1059129053 /nfs/dbraw/zinc/12/90/53/1059129053.db2.gz KHVVXIMVPMQGRA-JHWLWUGZSA-N 1 2 568.970 3.216 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1ccc(O)cc1 ZINC000888090060 1059129615 /nfs/dbraw/zinc/12/96/15/1059129615.db2.gz ZHRDKQXWUNUEDT-OPJOSSLHSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(O)cc1 ZINC000888090061 1059129717 /nfs/dbraw/zinc/12/97/17/1059129717.db2.gz ZHRDKQXWUNUEDT-SYICSJOFSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@H]2c1ccc(O)cc1 ZINC000888090062 1059129691 /nfs/dbraw/zinc/12/96/91/1059129691.db2.gz ZHRDKQXWUNUEDT-UBTOZSHMSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(O)cc1 ZINC000888090063 1059129759 /nfs/dbraw/zinc/12/97/59/1059129759.db2.gz ZHRDKQXWUNUEDT-UVJMQZDMSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(O)c(OC)c1 ZINC000888090082 1059130864 /nfs/dbraw/zinc/13/08/64/1059130864.db2.gz AIBJFLCOAJBTAI-KWJUOBBMSA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(O)c(OC)c1 ZINC000888090083 1059130844 /nfs/dbraw/zinc/13/08/44/1059130844.db2.gz AIBJFLCOAJBTAI-OCJOGERXSA-N 1 2 538.944 3.208 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1ccc(O)c(OC)c1 ZINC000888090084 1059130815 /nfs/dbraw/zinc/13/08/15/1059130815.db2.gz AIBJFLCOAJBTAI-UJUXKLNESA-N 1 2 538.944 3.208 50 30 KGEALO COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](C)[C@@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc1 ZINC000888090689 1059132699 /nfs/dbraw/zinc/13/26/99/1059132699.db2.gz ODOYDEALTOSLGT-LHTSHODCSA-N 1 2 550.955 3.280 50 30 KGEALO COC(=O)c1ccc([C@@H]2C3=C(C[C@H](C)[C@@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc1 ZINC000888090690 1059132654 /nfs/dbraw/zinc/13/26/54/1059132654.db2.gz ODOYDEALTOSLGT-YUAGUZKISA-N 1 2 550.955 3.280 50 30 KGEALO COC(=O)c1ccc([C@@H]2C3=C(C[C@H](C)[C@]4(Oc5c(c(OC)cc(OC)c5Cl)C4=O)C3=O)[NH+]=C3N=CNN32)cc1 ZINC000888090691 1059132676 /nfs/dbraw/zinc/13/26/76/1059132676.db2.gz ODOYDEALTOSLGT-ZMKLQGANSA-N 1 2 550.955 3.280 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@H]2c1cccc(O)c1 ZINC000888090732 1059132757 /nfs/dbraw/zinc/13/27/57/1059132757.db2.gz QISYPVWJLAABFW-OPJOSSLHSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@H]1C)[NH+]=C1N=CNN1[C@@H]2c1cccc(O)c1 ZINC000888090733 1059132852 /nfs/dbraw/zinc/13/28/52/1059132852.db2.gz QISYPVWJLAABFW-SYICSJOFSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@H]2c1cccc(O)c1 ZINC000888090734 1059132831 /nfs/dbraw/zinc/13/28/31/1059132831.db2.gz QISYPVWJLAABFW-UBTOZSHMSA-N 1 2 508.918 3.199 50 30 KGEALO COc1cc(OC)c(Cl)c2c1C(=O)[C@]1(O2)C(=O)C2=C(C[C@@H]1C)[NH+]=C1N=CNN1[C@@H]2c1cccc(O)c1 ZINC000888090735 1059133643 /nfs/dbraw/zinc/13/36/43/1059133643.db2.gz QISYPVWJLAABFW-UVJMQZDMSA-N 1 2 508.918 3.199 50 30 KGEALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3cc(C#N)c(C)[nH]3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857234 1059590727 /nfs/dbraw/zinc/59/07/27/1059590727.db2.gz BDDZHDYLJLPFNO-KYJUHHDHSA-N 1 2 602.692 3.215 50 30 KGEALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3cc(C#N)c(C)[nH]3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857234 1059590710 /nfs/dbraw/zinc/59/07/10/1059590710.db2.gz BDDZHDYLJLPFNO-KYJUHHDHSA-N 1 2 602.692 3.215 50 30 KGEALO