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([O-])C1=C(COC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)S[C@@H]2CC(=O)N12 ZINC000003915385 561684710 /nfs/dbraw/zinc/68/47/10/561684710.db2.gz YYXBXYLZQBCNMD-HXUWFJFHSA-N -1 2 558.544 2.034 1 0 KEAFLM CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)C(C)C ZINC000003961034 561691184 /nfs/dbraw/zinc/69/11/84/561691184.db2.gz NZEWVZPKBCYGKR-IGKWTDBASA-N -1 2 584.651 2.280 1 0 KEAFLM CCCCN(CCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)C(C)C ZINC000003961034 561691183 /nfs/dbraw/zinc/69/11/83/561691183.db2.gz NZEWVZPKBCYGKR-IGKWTDBASA-N -1 2 584.651 2.280 1 0 KEAFLM O=C([O-])C1=C(COC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)S[C@H]2CC(=O)N12 ZINC000009111729 561708838 /nfs/dbraw/zinc/70/88/38/561708838.db2.gz YYXBXYLZQBCNMD-FQEVSTJZSA-N -1 2 558.544 2.034 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(CCCc2ccccc2)C1=O ZINC000013440987 561712663 /nfs/dbraw/zinc/71/26/63/561712663.db2.gz SBYDMCZRLHRPQO-ZEQRLZLVSA-N -1 2 531.546 2.335 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(CCCc2ccccc2)C1=O ZINC000013440987 561712661 /nfs/dbraw/zinc/71/26/61/561712661.db2.gz SBYDMCZRLHRPQO-ZEQRLZLVSA-N -1 2 531.546 2.335 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(C/C=C/c2ccccc2)C1=O ZINC000013440989 561712676 /nfs/dbraw/zinc/71/26/76/561712676.db2.gz VYOQNQMWNZUREG-HRAMFJNOSA-N -1 2 529.530 2.416 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CCCCN(C/C=C/c2ccccc2)C1=O ZINC000013440989 561712674 /nfs/dbraw/zinc/71/26/74/561712674.db2.gz VYOQNQMWNZUREG-HRAMFJNOSA-N -1 2 529.530 2.416 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 ZINC000013556659 561718650 /nfs/dbraw/zinc/71/86/50/561718650.db2.gz BQPGCJKHOCZTAX-VXKWHMMOSA-N -1 2 505.508 2.053 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 ZINC000013556659 561718648 /nfs/dbraw/zinc/71/86/48/561718648.db2.gz BQPGCJKHOCZTAX-VXKWHMMOSA-N -1 2 505.508 2.053 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(C)cc1 ZINC000013556669 561718628 /nfs/dbraw/zinc/71/86/28/561718628.db2.gz JSTHSQGFIREYSL-GOTSBHOMSA-N -1 2 519.535 2.361 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(C)cc1 ZINC000013556669 561718627 /nfs/dbraw/zinc/71/86/27/561718627.db2.gz JSTHSQGFIREYSL-GOTSBHOMSA-N -1 2 519.535 2.361 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(C)cc2)no1 ZINC000013801161 561730572 /nfs/dbraw/zinc/73/05/72/561730572.db2.gz ZFIMFIDALKQRDO-YWZLYKJASA-N -1 2 502.464 2.365 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(C)cc2)no1 ZINC000013801161 561730570 /nfs/dbraw/zinc/73/05/70/561730570.db2.gz ZFIMFIDALKQRDO-YWZLYKJASA-N -1 2 502.464 2.365 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000013801164 561730562 /nfs/dbraw/zinc/73/05/62/561730562.db2.gz NFZFUUFQBYGFSH-DJJJIMSYSA-N -1 2 506.427 2.196 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000013801164 561730560 /nfs/dbraw/zinc/73/05/60/561730560.db2.gz NFZFUUFQBYGFSH-DJJJIMSYSA-N -1 2 506.427 2.196 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000014944782 561742530 /nfs/dbraw/zinc/74/25/30/561742530.db2.gz SPHWONUKLUPCHU-GOTSBHOMSA-N -1 2 587.570 2.426 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000014944782 561742529 /nfs/dbraw/zinc/74/25/29/561742529.db2.gz SPHWONUKLUPCHU-GOTSBHOMSA-N -1 2 587.570 2.426 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2cccc3ccccc32)no1 ZINC000014944792 561742551 /nfs/dbraw/zinc/74/25/51/561742551.db2.gz LLRLNJFGNSSVNF-ZEQRLZLVSA-N -1 2 595.549 2.455 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2cccc3ccccc32)no1 ZINC000014944792 561742549 /nfs/dbraw/zinc/74/25/49/561742549.db2.gz LLRLNJFGNSSVNF-ZEQRLZLVSA-N -1 2 595.549 2.455 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc3ccccc3c2)no1 ZINC000014944828 561742710 /nfs/dbraw/zinc/74/27/10/561742710.db2.gz SORYSZMOIUVUTP-ZEQRLZLVSA-N -1 2 595.549 2.455 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc3ccccc3c2)no1 ZINC000014944828 561742709 /nfs/dbraw/zinc/74/27/09/561742709.db2.gz SORYSZMOIUVUTP-ZEQRLZLVSA-N -1 2 595.549 2.455 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000014944834 561742722 /nfs/dbraw/zinc/74/27/22/561742722.db2.gz BVFIVGIHHLRXBD-OALUTQOASA-N -1 2 573.326 2.336 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000014944834 561742719 /nfs/dbraw/zinc/74/27/19/561742719.db2.gz BVFIVGIHHLRXBD-OALUTQOASA-N -1 2 573.326 2.336 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc3ccccc3c2)no1 ZINC000014944836 561742625 /nfs/dbraw/zinc/74/26/25/561742625.db2.gz UFTIYCGIXVQLSR-GOTSBHOMSA-N -1 2 554.496 2.182 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc3ccccc3c2)no1 ZINC000014944836 561742622 /nfs/dbraw/zinc/74/26/22/561742622.db2.gz UFTIYCGIXVQLSR-GOTSBHOMSA-N -1 2 554.496 2.182 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944838 561742735 /nfs/dbraw/zinc/74/27/35/561742735.db2.gz YAHVNVAURPCRLK-OALUTQOASA-N -1 2 572.433 2.048 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(C(F)(F)F)cc2)no1 ZINC000014944838 561742733 /nfs/dbraw/zinc/74/27/33/561742733.db2.gz YAHVNVAURPCRLK-OALUTQOASA-N -1 2 572.433 2.048 1 0 KEAFLM CC(C)[C@H](NC(=O)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1 ZINC000014947292 561744580 /nfs/dbraw/zinc/74/45/80/561744580.db2.gz MRRFYSGODXBRSE-BBRMVZONSA-N -1 2 546.486 2.445 1 0 KEAFLM CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1[P@](=O)([O-])C[C@@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000014976300 561752265 /nfs/dbraw/zinc/75/22/65/561752265.db2.gz CVIOBXUQVJTZCX-LEOXJPRUSA-N -1 2 543.517 2.274 1 0 KEAFLM CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1[P@](=O)([O-])C[C@@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000014976300 561752264 /nfs/dbraw/zinc/75/22/64/561752264.db2.gz CVIOBXUQVJTZCX-LEOXJPRUSA-N -1 2 543.517 2.274 1 0 KEAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@H](CO)C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026249166 561773710 /nfs/dbraw/zinc/77/37/10/561773710.db2.gz CKJRKRPDNLRZPQ-CBJTVTONSA-N -1 2 551.504 2.165 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(OC(F)(F)F)c2)C1=O ZINC000026260584 561775419 /nfs/dbraw/zinc/77/54/19/561775419.db2.gz YWRYENXEGWQNML-SFTDATJTSA-N -1 2 605.528 2.364 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(OC(F)(F)F)c2)C1=O ZINC000026260584 561775418 /nfs/dbraw/zinc/77/54/18/561775418.db2.gz YWRYENXEGWQNML-SFTDATJTSA-N -1 2 605.528 2.364 1 0 KEAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@@H](CO)C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026261374 561775603 /nfs/dbraw/zinc/77/56/03/561775603.db2.gz CKJRKRPDNLRZPQ-KVYZTJHFSA-N -1 2 551.504 2.165 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000026266967 561776589 /nfs/dbraw/zinc/77/65/89/561776589.db2.gz CQJMJHXIZSNDJW-SFTDATJTSA-N -1 2 589.529 2.485 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000026266967 561776587 /nfs/dbraw/zinc/77/65/87/561776587.db2.gz CQJMJHXIZSNDJW-SFTDATJTSA-N -1 2 589.529 2.485 1 0 KEAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@H](CO)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026386462 561784587 /nfs/dbraw/zinc/78/45/87/561784587.db2.gz CKJRKRPDNLRZPQ-FIRDEBMASA-N -1 2 551.504 2.165 1 0 KEAFLM O=C([O-])c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[C@@H](CO)C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026386467 561784498 /nfs/dbraw/zinc/78/44/98/561784498.db2.gz CKJRKRPDNLRZPQ-PFDOBSCMSA-N -1 2 551.504 2.165 1 0 KEAFLM NC(=O)[C@H]1CCC=C[C@H]1NC(=O)C1(NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(=O)OCc2cccc(N)c2)CCCCC1 ZINC000026403548 561789118 /nfs/dbraw/zinc/78/91/18/561789118.db2.gz YENDXPUMHXTISG-NXCFDTQHSA-N -1 2 657.661 2.333 1 0 KEAFLM NC(=O)[C@H]1CCC=C[C@H]1NC(=O)C1(NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)OCc2cccc(N)c2)CCCCC1 ZINC000026403548 561789117 /nfs/dbraw/zinc/78/91/17/561789117.db2.gz YENDXPUMHXTISG-NXCFDTQHSA-N -1 2 657.661 2.333 1 0 KEAFLM COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1 ZINC000026403950 561789198 /nfs/dbraw/zinc/78/91/98/561789198.db2.gz RZHAEOSLBJVDFX-JPEVHGAISA-N -1 2 579.514 2.345 1 0 KEAFLM COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1 ZINC000026403955 561789230 /nfs/dbraw/zinc/78/92/30/561789230.db2.gz RZHAEOSLBJVDFX-GKIWIXTESA-N -1 2 579.514 2.345 1 0 KEAFLM NC(=O)[C@@H]1CCC=C[C@@H]1NC(=O)C1(NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(=O)OCc2cccc(N)c2)CCCCC1 ZINC000026470553 561790446 /nfs/dbraw/zinc/79/04/46/561790446.db2.gz YENDXPUMHXTISG-ZNZIZOMTSA-N -1 2 657.661 2.333 1 0 KEAFLM NC(=O)[C@@H]1CCC=C[C@@H]1NC(=O)C1(NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(=O)OCc2cccc(N)c2)CCCCC1 ZINC000026470553 561790444 /nfs/dbraw/zinc/79/04/44/561790444.db2.gz YENDXPUMHXTISG-ZNZIZOMTSA-N -1 2 657.661 2.333 1 0 KEAFLM CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)C[C@@H](O[P@](=O)([O-])O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000026657517 561809644 /nfs/dbraw/zinc/80/96/44/561809644.db2.gz VNXVOZGOEMVKRY-QDMVCWPOSA-N -1 2 606.698 2.156 1 0 KEAFLM CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)C[C@@H](O[P@@](=O)([O-])O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000026657517 561809642 /nfs/dbraw/zinc/80/96/42/561809642.db2.gz VNXVOZGOEMVKRY-QDMVCWPOSA-N -1 2 606.698 2.156 1 0 KEAFLM CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)C[C@H](O[P@](=O)([O-])O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000026657522 561809617 /nfs/dbraw/zinc/80/96/17/561809617.db2.gz VNXVOZGOEMVKRY-VWEIPLKFSA-N -1 2 606.698 2.156 1 0 KEAFLM CC(C)CCC(=O)NC(=O)[C@@H](C)NC(=O)C[C@H](O[P@@](=O)([O-])O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000026657522 561809614 /nfs/dbraw/zinc/80/96/14/561809614.db2.gz VNXVOZGOEMVKRY-VWEIPLKFSA-N -1 2 606.698 2.156 1 0 KEAFLM CCOC(=O)C[C@@H](O[P@](=O)([O-])O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026667620 561811590 /nfs/dbraw/zinc/81/15/90/561811590.db2.gz RZEKWTYNHXVTDE-VKGYTVAMSA-N -1 2 565.645 2.276 1 0 KEAFLM CCOC(=O)C[C@@H](O[P@@](=O)([O-])O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026667620 561811589 /nfs/dbraw/zinc/81/15/89/561811589.db2.gz RZEKWTYNHXVTDE-VKGYTVAMSA-N -1 2 565.645 2.276 1 0 KEAFLM CCOC(=O)C[C@H](O[P@](=O)([O-])O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026667625 561811556 /nfs/dbraw/zinc/81/15/56/561811556.db2.gz RZEKWTYNHXVTDE-FUKQBSRTSA-N -1 2 565.645 2.276 1 0 KEAFLM CCOC(=O)C[C@H](O[P@@](=O)([O-])O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026667625 561811554 /nfs/dbraw/zinc/81/15/54/561811554.db2.gz RZEKWTYNHXVTDE-FUKQBSRTSA-N -1 2 565.645 2.276 1 0 KEAFLM CCOC(=O)C[C@@H](O[P@](=O)([O-])O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026667630 561811594 /nfs/dbraw/zinc/81/15/94/561811594.db2.gz RZEKWTYNHXVTDE-YDLSIGKMSA-N -1 2 565.645 2.276 1 0 KEAFLM CCOC(=O)C[C@@H](O[P@@](=O)([O-])O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026667630 561811593 /nfs/dbraw/zinc/81/15/93/561811593.db2.gz RZEKWTYNHXVTDE-YDLSIGKMSA-N -1 2 565.645 2.276 1 0 KEAFLM CCOC(=O)C[C@H](O[P@](=O)([O-])O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026667635 561811541 /nfs/dbraw/zinc/81/15/41/561811541.db2.gz RZEKWTYNHXVTDE-ZZTDLJEGSA-N -1 2 565.645 2.276 1 0 KEAFLM CCOC(=O)C[C@H](O[P@@](=O)([O-])O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C ZINC000026667635 561811539 /nfs/dbraw/zinc/81/15/39/561811539.db2.gz RZEKWTYNHXVTDE-ZZTDLJEGSA-N -1 2 565.645 2.276 1 0 KEAFLM CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026723753 561815562 /nfs/dbraw/zinc/81/55/62/561815562.db2.gz LMCYZFDDNCBXEA-NLFUWUDLSA-N -1 2 690.687 2.396 1 0 KEAFLM CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC000026723753 561815561 /nfs/dbraw/zinc/81/55/61/561815561.db2.gz LMCYZFDDNCBXEA-NLFUWUDLSA-N -1 2 690.687 2.396 1 0 KEAFLM O=C([O-])C1=C(COC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12 ZINC000026725994 561815901 /nfs/dbraw/zinc/81/59/01/561815901.db2.gz VUMRBSLFZVEYJZ-DLFZDVPBSA-N -1 2 721.720 2.250 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc32)CCCCC1 ZINC000027102270 561838997 /nfs/dbraw/zinc/83/89/97/561838997.db2.gz ATTZUIWVKJIUFV-KYJUHHDHSA-N -1 2 709.737 2.287 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc32)CCCCC1 ZINC000027102270 561838995 /nfs/dbraw/zinc/83/89/95/561838995.db2.gz ATTZUIWVKJIUFV-KYJUHHDHSA-N -1 2 709.737 2.287 1 0 KEAFLM CC(=O)N[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc32)CCCCC1 ZINC000027105159 561839850 /nfs/dbraw/zinc/83/98/50/561839850.db2.gz ATTZUIWVKJIUFV-IHLOFXLRSA-N -1 2 709.737 2.287 1 0 KEAFLM CC(=O)N[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc32)CCCCC1 ZINC000027105159 561839849 /nfs/dbraw/zinc/83/98/49/561839849.db2.gz ATTZUIWVKJIUFV-IHLOFXLRSA-N -1 2 709.737 2.287 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(C[C@@H]2C=CC(C)=CC2(C)C)no1 ZINC000027410055 561856111 /nfs/dbraw/zinc/85/61/11/561856111.db2.gz PZBDFIGGQZHXBN-BVSLBCMMSA-N -1 2 589.586 2.412 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(C[C@@H]2C=CC(C)=CC2(C)C)no1 ZINC000027410055 561856110 /nfs/dbraw/zinc/85/61/10/561856110.db2.gz PZBDFIGGQZHXBN-BVSLBCMMSA-N -1 2 589.586 2.412 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(C[C@H]2C=CC(C)=CC2(C)C)no1 ZINC000027410059 561856168 /nfs/dbraw/zinc/85/61/68/561856168.db2.gz PZBDFIGGQZHXBN-HJNYFJLDSA-N -1 2 589.586 2.412 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(C[C@H]2C=CC(C)=CC2(C)C)no1 ZINC000027410059 561856166 /nfs/dbraw/zinc/85/61/66/561856166.db2.gz PZBDFIGGQZHXBN-HJNYFJLDSA-N -1 2 589.586 2.412 1 0 KEAFLM CCCCN(CCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)C(C)C ZINC000027431673 561859465 /nfs/dbraw/zinc/85/94/65/561859465.db2.gz NZEWVZPKBCYGKR-YGOYIFOWSA-N -1 2 584.651 2.280 1 0 KEAFLM CCCCN(CCCC)C(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)C(C)C ZINC000027431673 561859463 /nfs/dbraw/zinc/85/94/63/561859463.db2.gz NZEWVZPKBCYGKR-YGOYIFOWSA-N -1 2 584.651 2.280 1 0 KEAFLM COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)cc1OC ZINC000027845030 561885442 /nfs/dbraw/zinc/88/54/42/561885442.db2.gz SMQLXTRTEUGEGY-VXKWHMMOSA-N -1 2 565.560 2.070 1 0 KEAFLM COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)cc1OC ZINC000027845030 561885440 /nfs/dbraw/zinc/88/54/40/561885440.db2.gz SMQLXTRTEUGEGY-VXKWHMMOSA-N -1 2 565.560 2.070 1 0 KEAFLM COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)cc1 ZINC000027848592 561885847 /nfs/dbraw/zinc/88/58/47/561885847.db2.gz TYMLLLISNUDVHD-GOTSBHOMSA-N -1 2 535.534 2.061 1 0 KEAFLM COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)cc1 ZINC000027848592 561885845 /nfs/dbraw/zinc/88/58/45/561885845.db2.gz TYMLLLISNUDVHD-GOTSBHOMSA-N -1 2 535.534 2.061 1 0 KEAFLM COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O ZINC000027850448 561885971 /nfs/dbraw/zinc/88/59/71/561885971.db2.gz AKHUCHIJKLBOOT-VXKWHMMOSA-N -1 2 535.534 2.061 1 0 KEAFLM COc1ccccc1CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O ZINC000027850448 561885970 /nfs/dbraw/zinc/88/59/70/561885970.db2.gz AKHUCHIJKLBOOT-VXKWHMMOSA-N -1 2 535.534 2.061 1 0 KEAFLM COc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O[P@](=O)([O-])O)cc2)NC(C)=O)c1 ZINC000027856626 561886625 /nfs/dbraw/zinc/88/66/25/561886625.db2.gz ONRHZRWRNIEEMQ-GOTSBHOMSA-N -1 2 535.534 2.061 1 0 KEAFLM COc1cccc(CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O[P@@](=O)([O-])O)cc2)NC(C)=O)c1 ZINC000027856626 561886624 /nfs/dbraw/zinc/88/66/24/561886624.db2.gz ONRHZRWRNIEEMQ-GOTSBHOMSA-N -1 2 535.534 2.061 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc43)N2C1=O ZINC000028768863 561960664 /nfs/dbraw/zinc/96/06/64/561960664.db2.gz NNTWLSYHHZVTFH-QKDODKLFSA-N -1 2 651.613 2.010 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc43)N2C1=O ZINC000028768863 561960662 /nfs/dbraw/zinc/96/06/62/561960662.db2.gz NNTWLSYHHZVTFH-QKDODKLFSA-N -1 2 651.613 2.010 1 0 KEAFLM CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1[P@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000029051758 561994436 /nfs/dbraw/zinc/99/44/36/561994436.db2.gz CVIOBXUQVJTZCX-TZYHBYERSA-N -1 2 543.517 2.274 1 0 KEAFLM CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1[P@](=O)([O-])C[C@H](Cc1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000029051758 561994434 /nfs/dbraw/zinc/99/44/34/561994434.db2.gz CVIOBXUQVJTZCX-TZYHBYERSA-N -1 2 543.517 2.274 1 0 KEAFLM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H]2O[C@H](Cc3ccccc3)O[C@H]21)NC1CCCC1 ZINC000029135093 562004346 /nfs/dbraw/zinc/00/43/46/562004346.db2.gz VJLYVIGFEYMBSG-UWUVKRECSA-N -1 2 560.504 2.250 1 0 KEAFLM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H]2O[C@H](Cc3ccccc3)O[C@H]21)NC1CCCC1 ZINC000029135093 562004344 /nfs/dbraw/zinc/00/43/44/562004344.db2.gz VJLYVIGFEYMBSG-UWUVKRECSA-N -1 2 560.504 2.250 1 0 KEAFLM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21)NC1CCCC1 ZINC000029135095 562004377 /nfs/dbraw/zinc/00/43/77/562004377.db2.gz VJLYVIGFEYMBSG-GJVLWDRHSA-N -1 2 560.504 2.250 1 0 KEAFLM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H]2O[C@@H](Cc3ccccc3)O[C@H]21)NC1CCCC1 ZINC000029135095 562004375 /nfs/dbraw/zinc/00/43/75/562004375.db2.gz VJLYVIGFEYMBSG-GJVLWDRHSA-N -1 2 560.504 2.250 1 0 KEAFLM O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1 ZINC000029135614 562004465 /nfs/dbraw/zinc/00/44/65/562004465.db2.gz AIFAKXWKFFQSEN-MSEOUXRUSA-N -1 2 562.447 2.386 1 0 KEAFLM O=C(Nc1ccc(F)cc1)Nc1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1 ZINC000029135614 562004463 /nfs/dbraw/zinc/00/44/63/562004463.db2.gz AIFAKXWKFFQSEN-MSEOUXRUSA-N -1 2 562.447 2.386 1 0 KEAFLM CCCCCN(CCCCC)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O ZINC000029554548 562031837 /nfs/dbraw/zinc/03/18/37/562031837.db2.gz ASVWNQRCIJXXNC-ZEQRLZLVSA-N -1 2 605.691 2.334 1 0 KEAFLM CCCCCN(CCCCC)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O ZINC000029554548 562031836 /nfs/dbraw/zinc/03/18/36/562031836.db2.gz ASVWNQRCIJXXNC-ZEQRLZLVSA-N -1 2 605.691 2.334 1 0 KEAFLM CC[C@H](NC(=O)[C@H](Cc1ccc([P@](=O)([O-])O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1 ZINC000029561363 562033337 /nfs/dbraw/zinc/03/33/37/562033337.db2.gz PALHYHNDIXXDKQ-GOTSBHOMSA-N -1 2 509.584 2.251 1 0 KEAFLM CC[C@H](NC(=O)[C@H](Cc1ccc([P@@](=O)([O-])O)cc1)NC(C)=O)C(=O)N(C)CCCC1CCCCC1 ZINC000029561363 562033335 /nfs/dbraw/zinc/03/33/35/562033335.db2.gz PALHYHNDIXXDKQ-GOTSBHOMSA-N -1 2 509.584 2.251 1 0 KEAFLM Cc1cc(=O)n(-c2ccc(C(=O)NCCCNC(=O)[C@@H](Cc3ccc(O[P@](=O)([O-])O)cc3)NC(=O)Cc3cc(=O)oc4cc(O)ccc34)cc2)[nH]1 ZINC000038338261 562070873 /nfs/dbraw/zinc/07/08/73/562070873.db2.gz VICLOKRHVIVFIO-MUUNZHRXSA-N -1 2 719.644 2.289 1 0 KEAFLM Cc1cc(=O)n(-c2ccc(C(=O)NCCCNC(=O)[C@@H](Cc3ccc(O[P@@](=O)([O-])O)cc3)NC(=O)Cc3cc(=O)oc4cc(O)ccc34)cc2)[nH]1 ZINC000038338261 562070871 /nfs/dbraw/zinc/07/08/71/562070871.db2.gz VICLOKRHVIVFIO-MUUNZHRXSA-N -1 2 719.644 2.289 1 0 KEAFLM Cc1cc(=O)n(-c2ccc(C(=O)NCCCNC(=O)[C@H](Cc3ccc(O[P@](=O)([O-])O)cc3)NC(=O)Cc3cc(=O)oc4cc(O)ccc34)cc2)[nH]1 ZINC000038338262 562070912 /nfs/dbraw/zinc/07/09/12/562070912.db2.gz VICLOKRHVIVFIO-NDEPHWFRSA-N -1 2 719.644 2.289 1 0 KEAFLM Cc1cc(=O)n(-c2ccc(C(=O)NCCCNC(=O)[C@H](Cc3ccc(O[P@@](=O)([O-])O)cc3)NC(=O)Cc3cc(=O)oc4cc(O)ccc34)cc2)[nH]1 ZINC000038338262 562070911 /nfs/dbraw/zinc/07/09/11/562070911.db2.gz VICLOKRHVIVFIO-NDEPHWFRSA-N -1 2 719.644 2.289 1 0 KEAFLM CCC[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)C(=O)NCCCc1ccccc1 ZINC000040465386 562077193 /nfs/dbraw/zinc/07/71/93/562077193.db2.gz DOIYWQAEPDXUAA-GOTSBHOMSA-N -1 2 519.535 2.239 1 0 KEAFLM CCC[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)C(=O)NCCCc1ccccc1 ZINC000040465386 562077192 /nfs/dbraw/zinc/07/71/92/562077192.db2.gz DOIYWQAEPDXUAA-GOTSBHOMSA-N -1 2 519.535 2.239 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@H](C(=O)NCCCc1ccccc1)C(C)C ZINC000040632094 562078566 /nfs/dbraw/zinc/07/85/66/562078566.db2.gz VINMNJMPBGWVKW-GOTSBHOMSA-N -1 2 519.535 2.095 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@H](C(=O)NCCCc1ccccc1)C(C)C ZINC000040632094 562078565 /nfs/dbraw/zinc/07/85/65/562078565.db2.gz VINMNJMPBGWVKW-GOTSBHOMSA-N -1 2 519.535 2.095 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCc1ccccc1 ZINC000043322730 562647744 /nfs/dbraw/zinc/64/77/44/562647744.db2.gz PVTWIWVJVWUWBY-SVBPBHIXSA-N -1 2 583.578 2.387 1 0 KEAFLM CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCc1ccccc1 ZINC000043322730 562647743 /nfs/dbraw/zinc/64/77/43/562647743.db2.gz PVTWIWVJVWUWBY-SVBPBHIXSA-N -1 2 583.578 2.387 1 0 KEAFLM COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)OCCCC(P(=O)([O-])O)[P@](=O)([O-])O)cn(C3CC3)c21 ZINC000044280697 562652921 /nfs/dbraw/zinc/65/29/21/562652921.db2.gz SSDGXLVGWMATHQ-IFXJQAMLSA-N -1 2 617.504 2.291 1 0 KEAFLM COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)c(C(=O)OCCCC(P(=O)([O-])O)[P@@](=O)([O-])O)cn(C3CC3)c21 ZINC000044280697 562652920 /nfs/dbraw/zinc/65/29/20/562652920.db2.gz SSDGXLVGWMATHQ-IFXJQAMLSA-N -1 2 617.504 2.291 1 0 KEAFLM CCN(CCN(CC)S(=O)(=O)c1cc(F)c(O)c(F)c1)S(=O)(=O)c1cc(F)c([O-])c(F)c1 ZINC000045358147 562661956 /nfs/dbraw/zinc/66/19/56/562661956.db2.gz DMOZXQUMPYUSHG-UHFFFAOYSA-N -1 2 500.492 2.376 1 0 KEAFLM CCN(CCN(CC)S(=O)(=O)c1cc(F)c(O)c(F)c1)S(=O)(=O)c1cc(F)c(O)c(F)c1 ZINC000045358147 562661955 /nfs/dbraw/zinc/66/19/55/562661955.db2.gz DMOZXQUMPYUSHG-UHFFFAOYSA-N -1 2 500.492 2.376 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](COCc1ccccc1)COC(N)=O ZINC000049695314 562670384 /nfs/dbraw/zinc/67/03/84/562670384.db2.gz NSNBIUCACPHHFH-ZMMXBVLESA-N -1 2 660.661 2.490 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](COCc1ccccc1)COC(N)=O ZINC000049695314 562670383 /nfs/dbraw/zinc/67/03/83/562670383.db2.gz NSNBIUCACPHHFH-ZMMXBVLESA-N -1 2 660.661 2.490 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)Cc1ccc(O)cc1 ZINC000049695374 562670457 /nfs/dbraw/zinc/67/04/57/562670457.db2.gz DMZDOPZJXNMUON-PEUUUHDDSA-N -1 2 644.662 2.392 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)Cc1ccc(O)cc1 ZINC000049695374 562670456 /nfs/dbraw/zinc/67/04/56/562670456.db2.gz DMZDOPZJXNMUON-PEUUUHDDSA-N -1 2 644.662 2.392 1 0 KEAFLM CC(C)C[C@H](CCC(N)=O)NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1 ZINC000049708447 562670928 /nfs/dbraw/zinc/67/09/28/562670928.db2.gz LOBJEILQZGXGQM-SQNYFUETSA-N -1 2 606.657 2.346 1 0 KEAFLM CC(C)C[C@H](CCC(N)=O)NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1 ZINC000049708447 562670927 /nfs/dbraw/zinc/67/09/27/562670927.db2.gz LOBJEILQZGXGQM-SQNYFUETSA-N -1 2 606.657 2.346 1 0 KEAFLM CC(C)C[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1 ZINC000049708936 562671186 /nfs/dbraw/zinc/67/11/86/562671186.db2.gz STKROMUCNJTVFE-OONMUKGGSA-N -1 2 594.646 2.490 1 0 KEAFLM CC(C)C[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1 ZINC000049708936 562671185 /nfs/dbraw/zinc/67/11/85/562671185.db2.gz STKROMUCNJTVFE-OONMUKGGSA-N -1 2 594.646 2.490 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(C)C ZINC000049709075 562671207 /nfs/dbraw/zinc/67/12/07/562671207.db2.gz TWNSOOQAGSKNNC-DVSUQKLOSA-N -1 2 580.619 2.100 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(C)C ZINC000049709075 562671206 /nfs/dbraw/zinc/67/12/06/562671206.db2.gz TWNSOOQAGSKNNC-DVSUQKLOSA-N -1 2 580.619 2.100 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000049722812 562672541 /nfs/dbraw/zinc/67/25/41/562672541.db2.gz BUFBVCZFLNKRGZ-IDYIDBLESA-N -1 2 600.609 2.126 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000049722812 562672540 /nfs/dbraw/zinc/67/25/40/562672540.db2.gz BUFBVCZFLNKRGZ-IDYIDBLESA-N -1 2 600.609 2.126 1 0 KEAFLM CCCC[C@H](CCC(N)=O)NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1 ZINC000049723023 562672856 /nfs/dbraw/zinc/67/28/56/562672856.db2.gz LWFVNZQBOMZGKL-BRYZBEPTSA-N -1 2 606.657 2.490 1 0 KEAFLM CCCC[C@H](CCC(N)=O)NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1 ZINC000049723023 562672855 /nfs/dbraw/zinc/67/28/55/562672855.db2.gz LWFVNZQBOMZGKL-BRYZBEPTSA-N -1 2 606.657 2.490 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC(N)=O)C(=O)NCc1ccccc1 ZINC000049723135 562672979 /nfs/dbraw/zinc/67/29/79/562672979.db2.gz VZUPWZHKGLTTQP-NIDMRMLBSA-N -1 2 685.715 2.150 1 0 KEAFLM CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC(N)=O)C(=O)NCc1ccccc1 ZINC000049723135 562672978 /nfs/dbraw/zinc/67/29/78/562672978.db2.gz VZUPWZHKGLTTQP-NIDMRMLBSA-N -1 2 685.715 2.150 1 0 KEAFLM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1c[nH+]c(CCC[C@@H](CC(=O)[O-])C(=O)[O-])n1C)C(C)C)C(=O)[O-] ZINC000049745779 562674057 /nfs/dbraw/zinc/67/40/57/562674057.db2.gz NZZMBWKQASBUCP-YQNORIIPSA-N -1 2 647.795 2.083 1 0 KEAFLM CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1c[nH+]c(CCC[C@H](CC(=O)[O-])C(=O)[O-])n1C)C(C)C)C(=O)[O-] ZINC000049745781 562674050 /nfs/dbraw/zinc/67/40/50/562674050.db2.gz NZZMBWKQASBUCP-QULFXQSZSA-N -1 2 647.795 2.083 1 0 KEAFLM CN(C(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)[C@H]1CCC[NH2+]C[C@H]1NC(=O)c1ccc(O)cc1 ZINC000049799768 562685388 /nfs/dbraw/zinc/68/53/88/562685388.db2.gz CSGHZVOFTNBYSW-UXHICEINSA-N -1 2 563.563 2.061 1 0 KEAFLM COc1c(N2CC[NH2+][C@@H](C)C2)c(F)cc2c(=O)c(C(=O)OCC(=O)Nc3ccc(CC(P(=O)([O-])O)[P@](=O)([O-])O)cc3)cn(C3CC3)c21 ZINC000049850439 562688668 /nfs/dbraw/zinc/68/86/68/562688668.db2.gz IONVXIHHBZMIAR-INIZCTEOSA-N -1 2 696.562 2.302 1 0 KEAFLM COc1c(N2CC[NH2+][C@@H](C)C2)c(F)cc2c(=O)c(C(=O)OCC(=O)Nc3ccc(CC(P(=O)([O-])O)[P@@](=O)([O-])O)cc3)cn(C3CC3)c21 ZINC000049850439 562688667 /nfs/dbraw/zinc/68/86/67/562688667.db2.gz IONVXIHHBZMIAR-INIZCTEOSA-N -1 2 696.562 2.302 1 0 KEAFLM O=C([O-])C1=C(COC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)CS[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N12 ZINC000049942458 562695493 /nfs/dbraw/zinc/69/54/93/562695493.db2.gz PMDUIKFQYRJGFG-DLFZDVPBSA-N -1 2 705.721 2.414 1 0 KEAFLM CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c([O-])c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)S1(=O)=O ZINC000058583641 562700174 /nfs/dbraw/zinc/70/01/74/562700174.db2.gz GEJXDKRVWRGMJO-UHFFFAOYSA-N -1 2 572.644 2.087 1 0 KEAFLM O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH+](CC4=C(C(=O)[O-])N5C(=O)[C@@H](NC(=O)Cc6ccccc6)[C@H]5SC4)CC3)c(F)cc2c1=O ZINC000058669755 562701474 /nfs/dbraw/zinc/70/14/74/562701474.db2.gz NESALWSWEOBRLS-DLFZDVPBSA-N -1 2 661.712 2.277 1 0 KEAFLM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1 ZINC000072107348 562721221 /nfs/dbraw/zinc/72/12/21/562721221.db2.gz CIQLLFNYQWGPMA-UHFFFAOYSA-N -1 2 609.636 2.399 1 0 KEAFLM C/C(=C\C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)C3)c1ccc(O[P@](=O)([O-])O)cc1 ZINC000072133975 562727069 /nfs/dbraw/zinc/72/70/69/562727069.db2.gz YBLQYERDQHEIHB-GXHMPLMPSA-N -1 2 703.689 2.017 1 0 KEAFLM C/C(=C\C(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)C3)c1ccc(O[P@@](=O)([O-])O)cc1 ZINC000072133975 562727068 /nfs/dbraw/zinc/72/70/68/562727068.db2.gz YBLQYERDQHEIHB-GXHMPLMPSA-N -1 2 703.689 2.017 1 0 KEAFLM CCCC[C@H](NC(=O)/C=C(\C)c1ccc(O[P@](=O)([O-])O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 ZINC000072133996 562727104 /nfs/dbraw/zinc/72/71/04/562727104.db2.gz RKRUKXAHZLZQCA-XQQBWMTNSA-N -1 2 697.726 2.150 1 0 KEAFLM CCCC[C@H](NC(=O)/C=C(\C)c1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 ZINC000072133996 562727103 /nfs/dbraw/zinc/72/71/03/562727103.db2.gz RKRUKXAHZLZQCA-XQQBWMTNSA-N -1 2 697.726 2.150 1 0 KEAFLM C/C(=C\C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)c1ccc(O[P@](=O)([O-])O)cc1 ZINC000072134030 562727128 /nfs/dbraw/zinc/72/71/28/562727128.db2.gz JLKMKCPIZZWWTM-LPIMUQKMSA-N -1 2 685.715 2.150 1 0 KEAFLM C/C(=C\C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)c1ccc(O[P@@](=O)([O-])O)cc1 ZINC000072134030 562727127 /nfs/dbraw/zinc/72/71/27/562727127.db2.gz JLKMKCPIZZWWTM-LPIMUQKMSA-N -1 2 685.715 2.150 1 0 KEAFLM C/C(=C\C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)c1ccc(O[P@](=O)([O-])O)cc1 ZINC000072134034 562727122 /nfs/dbraw/zinc/72/71/22/562727122.db2.gz WQOXYVNTNKPMIE-KNVUKIJMSA-N -1 2 697.726 2.006 1 0 KEAFLM C/C(=C\C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)c1ccc(O[P@@](=O)([O-])O)cc1 ZINC000072134034 562727121 /nfs/dbraw/zinc/72/71/21/562727121.db2.gz WQOXYVNTNKPMIE-KNVUKIJMSA-N -1 2 697.726 2.006 1 0 KEAFLM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)CCc1ccccc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 ZINC000095541635 562756245 /nfs/dbraw/zinc/75/62/45/562756245.db2.gz PMOPEUBCXAQQOA-YCQMHQQFSA-N -1 2 832.892 2.263 1 0 KEAFLM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)CCc1ccccc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 ZINC000095541635 562756244 /nfs/dbraw/zinc/75/62/44/562756244.db2.gz PMOPEUBCXAQQOA-YCQMHQQFSA-N -1 2 832.892 2.263 1 0 KEAFLM CCCC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(=O)NCc1ccccc1 ZINC000095547518 562758801 /nfs/dbraw/zinc/75/88/01/562758801.db2.gz CJJSLAZABBDCCM-CUPIEXAXSA-N -1 2 767.884 2.091 1 0 KEAFLM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)CCc1ccccc1)C(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 ZINC000095557054 562762027 /nfs/dbraw/zinc/76/20/27/562762027.db2.gz PMOPEUBCXAQQOA-KLRGBJJVSA-N -1 2 832.892 2.263 1 0 KEAFLM CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)CCc1ccccc1)C(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 ZINC000095557054 562762026 /nfs/dbraw/zinc/76/20/26/562762026.db2.gz PMOPEUBCXAQQOA-KLRGBJJVSA-N -1 2 832.892 2.263 1 0 KEAFLM O=C([O-])C1CCN(c2ccc(N3C[C@@H](CNC(=O)c4ccc(-c5nc(=O)o[nH]5)cc4)OC3=O)cc2)CC1 ZINC000096271561 562793810 /nfs/dbraw/zinc/79/38/10/562793810.db2.gz GZTPZSKNKZVAKJ-HXUWFJFHSA-N -1 2 507.503 2.086 1 0 KEAFLM O=C([O-])C1CCN(c2ccc(N3C[C@H](CNC(=O)c4ccc(-c5nc(=O)o[nH]5)cc4)OC3=O)cc2)CC1 ZINC000096271562 562793848 /nfs/dbraw/zinc/79/38/48/562793848.db2.gz GZTPZSKNKZVAKJ-FQEVSTJZSA-N -1 2 507.503 2.086 1 0 KEAFLM Cc1cccc(Nc2nc(SC(=S)[N-]N3CCOCC3)nc(SC(=S)NN3CCOCC3)n2)c1 ZINC000103289929 562824100 /nfs/dbraw/zinc/82/41/00/562824100.db2.gz TZJWMZASOAWVIS-UHFFFAOYSA-N -1 2 538.750 2.351 1 0 KEAFLM CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NS(=O)(=O)c3ccccc3)nc(-c3ccccc3)n2)CC1 ZINC000136550053 562831209 /nfs/dbraw/zinc/83/12/09/562831209.db2.gz ALKDZRHBQQEWFQ-QFIPXVFZSA-N -1 2 624.676 2.208 1 0 KEAFLM COc1ncc(-c2ccc3nc(=NC(=O)NCC(=O)N4CCCCC4)[n-]n3c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000473105315 562898212 /nfs/dbraw/zinc/89/82/12/562898212.db2.gz SCGUAQOLNATAPZ-UHFFFAOYSA-N -1 2 582.618 2.296 1 0 KEAFLM CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)N(CO[P@](=O)([O-])O)C4CC4)ccc3C)c2c1C ZINC000473112452 562898687 /nfs/dbraw/zinc/89/86/87/562898687.db2.gz DVRWAAOPIWKBRE-UHFFFAOYSA-N -1 2 516.495 2.323 1 0 KEAFLM CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)N(CO[P@@](=O)([O-])O)C4CC4)ccc3C)c2c1C ZINC000473112452 562898686 /nfs/dbraw/zinc/89/86/86/562898686.db2.gz DVRWAAOPIWKBRE-UHFFFAOYSA-N -1 2 516.495 2.323 1 0 KEAFLM CCCN(CO[P@](=O)([O-])O)C(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C ZINC000473115275 562899017 /nfs/dbraw/zinc/89/90/17/562899017.db2.gz RGPOSVOMCRHDNU-UHFFFAOYSA-N -1 2 516.495 2.323 1 0 KEAFLM CCCN(CO[P@@](=O)([O-])O)C(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C ZINC000473115275 562899016 /nfs/dbraw/zinc/89/90/16/562899016.db2.gz RGPOSVOMCRHDNU-UHFFFAOYSA-N -1 2 516.495 2.323 1 0 KEAFLM