smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(I)c1[O-] ZINC000000665706 551517156 /nfs/dbraw/zinc/51/71/56/551517156.db2.gz SEPQICOZNINNTP-NVNXTCNLSA-N -1 3 527.340 2.849 50 10 KFCAHM COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2 ZINC000002091272 551758706 /nfs/dbraw/zinc/75/87/06/551758706.db2.gz FBJUFGDGFZANNP-LPPOOGIUSA-N -1 3 514.991 2.528 50 10 biogenic KFCAHM COc1ccc(N2CCN(C(=O)CSc3nc4n[n-]cc4c(=O)n3-c3ccccc3OC)CC2)cc1 ZINC000009490742 553274127 /nfs/dbraw/zinc/27/41/27/553274127.db2.gz BCEFZKKERVOOAU-UHFFFAOYSA-N -1 3 506.588 2.567 50 10 KFCAHM COc1ccc(N2CCN(C(=O)CSc3nc4[n-]ncc4c(=O)n3-c3ccccc3OC)CC2)cc1 ZINC000009490742 553274126 /nfs/dbraw/zinc/27/41/26/553274126.db2.gz BCEFZKKERVOOAU-UHFFFAOYSA-N -1 3 506.588 2.567 50 10 KFCAHM C[C@@H](OC(=O)C[N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000013129464 553450738 /nfs/dbraw/zinc/45/07/38/553450738.db2.gz UAAXRQZRJHOBTF-TUQDCPSNSA-N -1 3 518.547 2.923 50 10 KFCAHM C[C@H](OC(=O)C[N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000013129465 553450811 /nfs/dbraw/zinc/45/08/11/553450811.db2.gz UAAXRQZRJHOBTF-CLVCIHKQSA-N -1 3 518.547 2.923 50 10 KFCAHM COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)N(Cc3ccccc3[O-])C2)nn1 ZINC000014999094 553524614 /nfs/dbraw/zinc/52/46/14/553524614.db2.gz HSHWMWLBZKGMNH-QUCCMNQESA-N -1 3 503.481 2.921 50 10 KFCAHM CC(C)CC(=O)O[C@@H]1[C@@H](N2CCOCC2)c2c([O-])c(/C=C/C(=O)N3CCOCC3)ccc2OC1(C)C ZINC000019229456 553613143 /nfs/dbraw/zinc/61/31/43/553613143.db2.gz HABFVMRKJUPSNL-ZVJVYYHESA-N -1 3 502.608 2.766 50 10 biogenic KFCAHM CC(C)CC(=O)O[C@H]1[C@@H](N2CCOCC2)c2c([O-])c(/C=C/C(=O)N3CCOCC3)ccc2OC1(C)C ZINC000019229458 553613003 /nfs/dbraw/zinc/61/30/03/553613003.db2.gz HABFVMRKJUPSNL-PQGAWXBYSA-N -1 3 502.608 2.766 50 10 biogenic KFCAHM CC(C)CC(=O)O[C@@H]1[C@H](N2CCOCC2)c2c([O-])c(/C=C/C(=O)N3CCOCC3)ccc2OC1(C)C ZINC000019229460 553613097 /nfs/dbraw/zinc/61/30/97/553613097.db2.gz HABFVMRKJUPSNL-MCUHZYOPSA-N -1 3 502.608 2.766 50 10 biogenic KFCAHM CC(C)CC(=O)O[C@H]1[C@H](N2CCOCC2)c2c([O-])c(/C=C/C(=O)N3CCOCC3)ccc2OC1(C)C ZINC000019229462 553613044 /nfs/dbraw/zinc/61/30/44/553613044.db2.gz HABFVMRKJUPSNL-BFZYNENNSA-N -1 3 502.608 2.766 50 10 biogenic KFCAHM COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(OC)cc2[O-])[NH2+][C@@]3(Cc2ccccc2)C(=O)[O-])cc1 ZINC000019848811 553623869 /nfs/dbraw/zinc/62/38/69/553623869.db2.gz KFQUFMWWILUFGG-HXFQDRMMSA-N -1 3 502.523 2.926 50 10 KFCAHM COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2 ZINC000020410711 553645910 /nfs/dbraw/zinc/64/59/10/553645910.db2.gz FBJUFGDGFZANNP-RNIVLKNTSA-N -1 3 514.991 2.528 50 10 biogenic KFCAHM COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=S)N(c4ccccc4Cl)C1=O)N(C)CC3)OCO2 ZINC000020410718 553645887 /nfs/dbraw/zinc/64/58/87/553645887.db2.gz ZSLFRYBKYJNVJZ-QXSWTLKVSA-N -1 3 514.991 2.528 50 10 biogenic KFCAHM COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=S)N(c4ccccc4Cl)C1=O)N(C)CC3)OCO2 ZINC000020410719 553645994 /nfs/dbraw/zinc/64/59/94/553645994.db2.gz ZSLFRYBKYJNVJZ-OOXMNIKJSA-N -1 3 514.991 2.528 50 10 biogenic KFCAHM COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C1=O)N(C)CC3)OCO2 ZINC000020410725 553646034 /nfs/dbraw/zinc/64/60/34/553646034.db2.gz STGCPQUPUMETKG-CBXNMNPBSA-N -1 3 522.627 2.998 50 10 biogenic KFCAHM COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C1=O)N(C)CC3)OCO2 ZINC000020410726 553645918 /nfs/dbraw/zinc/64/59/18/553645918.db2.gz STGCPQUPUMETKG-NURJGKTBSA-N -1 3 522.627 2.998 50 10 biogenic KFCAHM CCOC(=O)c1oc2c(cc(CC)c([O-])c2CN2CCN(CCO)CC2)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000022790466 553750742 /nfs/dbraw/zinc/75/07/42/553750742.db2.gz HCMJPXKEGOMXFH-UHFFFAOYSA-N -1 3 538.597 2.786 50 10 KFCAHM CCCC[C@@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccc(OC)cc4)CC3)cc(=O)[n-]2)CC1 ZINC000035926446 554099563 /nfs/dbraw/zinc/09/95/63/554099563.db2.gz ICMDPDVMOZNSPH-JOCHJYFZSA-N -1 3 510.683 2.966 50 10 KFCAHM CCCC[C@H](CC)C(=O)N1CCN(c2nc(CN3CCN(c4ccc(OC)cc4)CC3)cc(=O)[n-]2)CC1 ZINC000035926447 554099573 /nfs/dbraw/zinc/09/95/73/554099573.db2.gz ICMDPDVMOZNSPH-QFIPXVFZSA-N -1 3 510.683 2.966 50 10 KFCAHM CCc1ccc(C(=O)N2CCN(c3nc(CN4CCN(c5ccc(OC)cc5)CC4)cc(=O)[n-]3)CC2)cc1 ZINC000035926454 554099489 /nfs/dbraw/zinc/09/94/89/554099489.db2.gz VSZPIGQZYLJNCV-UHFFFAOYSA-N -1 3 516.646 2.626 50 10 KFCAHM CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)c([O-])c2c1 ZINC000049723024 554324700 /nfs/dbraw/zinc/32/47/00/554324700.db2.gz XBTJNJZJQKBKJH-UHFFFAOYSA-N -1 3 555.701 2.509 50 10 KFCAHM CCN(CC)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)c(=O)c2c1 ZINC000049723024 554324698 /nfs/dbraw/zinc/32/46/98/554324698.db2.gz XBTJNJZJQKBKJH-UHFFFAOYSA-N -1 3 555.701 2.509 50 10 KFCAHM NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)[N-]C5=O)o3)C2=O)cc1 ZINC000070462953 553594360 /nfs/dbraw/zinc/59/43/60/553594360.db2.gz LGEIQZMEMRMJBZ-YVLHZVERSA-N -1 3 530.440 2.826 50 10 KFCAHM COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C1=O)N(C)CC3)OCO2 ZINC000070673678 553604042 /nfs/dbraw/zinc/60/40/42/553604042.db2.gz CPGSATOWKWGYHF-KGZWWPETSA-N -1 3 559.442 2.637 50 10 biogenic KFCAHM COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(Br)cc4)C1=O)N(C)CC3)OCO2 ZINC000070673681 553604097 /nfs/dbraw/zinc/60/40/97/553604097.db2.gz CPGSATOWKWGYHF-BRVCPTFNSA-N -1 3 559.442 2.637 50 10 biogenic KFCAHM CC1CCN(Cc2c([O-])c(C[NH+]3CCC(C)CC3)c([O-])c3c(=O)c(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)coc23)CC1 ZINC000079209890 553669915 /nfs/dbraw/zinc/66/99/15/553669915.db2.gz QAJXTOOWSRMGOV-BEYFWPOZSA-N -1 3 654.757 2.514 50 10 biogenic KFCAHM C[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(CN2CCCC[C@@H]2C)c2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c1[O-] ZINC000079209906 553670240 /nfs/dbraw/zinc/67/02/40/553670240.db2.gz VPHGNASNUHAYHV-QMGZIDCMSA-N -1 3 654.757 2.799 50 10 biogenic KFCAHM C[C@@H]1CCCC[N@H+]1Cc1c([O-])c(CN2CCCC[C@@H]2C)c2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)c(=O)c2c1[O-] ZINC000079209906 553670238 /nfs/dbraw/zinc/67/02/38/553670238.db2.gz VPHGNASNUHAYHV-QMGZIDCMSA-N -1 3 654.757 2.799 50 10 biogenic KFCAHM C[C@H]1CCCCN1Cc1c([O-])c(C[N@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12 ZINC000079209910 553670173 /nfs/dbraw/zinc/67/01/73/553670173.db2.gz VPHGNASNUHAYHV-XDJLFPQVSA-N -1 3 654.757 2.799 50 10 biogenic KFCAHM C[C@H]1CCCCN1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12 ZINC000079209910 553670172 /nfs/dbraw/zinc/67/01/72/553670172.db2.gz VPHGNASNUHAYHV-XDJLFPQVSA-N -1 3 654.757 2.799 50 10 biogenic KFCAHM COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)[N-]S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000101430150 554770388 /nfs/dbraw/zinc/77/03/88/554770388.db2.gz VQWJNHQMEUWEJD-HSZRJFAPSA-N -1 3 537.667 2.938 50 10 KFCAHM COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)[N-]S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000101430154 554770447 /nfs/dbraw/zinc/77/04/47/554770447.db2.gz VQWJNHQMEUWEJD-QHCPKHFHSA-N -1 3 537.667 2.938 50 10 KFCAHM COc1ccc(N2CCN(C(=O)[C@H]([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)CC2)cc1 ZINC000101468179 554781039 /nfs/dbraw/zinc/78/10/39/554781039.db2.gz VTVNBCDXXIEQFL-HHHXNRCGSA-N -1 3 534.638 2.948 50 10 KFCAHM COc1ccc(N2CCN(C(=O)[C@@H]([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)CC2)cc1 ZINC000101468182 554781045 /nfs/dbraw/zinc/78/10/45/554781045.db2.gz VTVNBCDXXIEQFL-MHZLTWQESA-N -1 3 534.638 2.948 50 10 KFCAHM COc1ccc(N2CCN(CC[N-]S(=O)(=O)c3cc4c(cc3Br)CCN4C(=O)C3CC3)CC2)cc1 ZINC000102840090 555081220 /nfs/dbraw/zinc/08/12/20/555081220.db2.gz UMONFHCLCWMLSA-UHFFFAOYSA-N -1 3 563.518 2.857 50 10 KFCAHM CCOc1cc(/C=C2\C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(I)c1[O-] ZINC000103754738 555469137 /nfs/dbraw/zinc/46/91/37/555469137.db2.gz SEPQICOZNINNTP-OVCLIPMQSA-N -1 3 527.340 2.849 50 10 KFCAHM COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C1=O)N(C)CC3)OCO2 ZINC000103924501 571369971 /nfs/dbraw/zinc/36/99/71/571369971.db2.gz STGCPQUPUMETKG-QDDTUJKSSA-N -1 3 522.627 2.998 50 10 KFCAHM COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C1=O)N(C)CC3)OCO2 ZINC000103924506 571370002 /nfs/dbraw/zinc/37/00/02/571370002.db2.gz STGCPQUPUMETKG-RQRMZWKBSA-N -1 3 522.627 2.998 50 10 KFCAHM COc1c2c(cc3c1[C@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2 ZINC000104011255 571371054 /nfs/dbraw/zinc/37/10/54/571371054.db2.gz FBJUFGDGFZANNP-KGZWWPETSA-N -1 3 514.991 2.528 50 10 KFCAHM COc1c2c(cc3c1[C@@H](CNC=C1C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C1=O)N(C)CC3)OCO2 ZINC000104148310 571375406 /nfs/dbraw/zinc/37/54/06/571375406.db2.gz FBJUFGDGFZANNP-BRVCPTFNSA-N -1 3 514.991 2.939 50 10 KFCAHM C[C@@H]1CCCCN1Cc1c([O-])c(C[N@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12 ZINC000150662534 571527836 /nfs/dbraw/zinc/52/78/36/571527836.db2.gz VPHGNASNUHAYHV-LJQOOJLESA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@@H]1CCCCN1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12 ZINC000150662534 571527833 /nfs/dbraw/zinc/52/78/33/571527833.db2.gz VPHGNASNUHAYHV-LJQOOJLESA-N -1 3 654.757 2.799 50 10 KFCAHM COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccc(OC)cc2[O-])[NH2+][C@]3(Cc2ccccc2)C(=O)[O-])cc1 ZINC000230010668 562881051 /nfs/dbraw/zinc/88/10/51/562881051.db2.gz KFQUFMWWILUFGG-TVQWTUMOSA-N -1 3 502.523 2.926 50 10 KFCAHM C[C@@H]1CCCCN1Cc1c([O-])c(C[N@H+]2CCCC[C@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12 ZINC000245241982 572216687 /nfs/dbraw/zinc/21/66/87/572216687.db2.gz VPHGNASNUHAYHV-QBRYNYCPSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@@H]1CCCCN1Cc1c([O-])c(C[N@@H+]2CCCC[C@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12 ZINC000245241982 572216685 /nfs/dbraw/zinc/21/66/85/572216685.db2.gz VPHGNASNUHAYHV-QBRYNYCPSA-N -1 3 654.757 2.799 50 10 KFCAHM COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4[O-])[NH2+][C@](Cc4ccccc4)(C(=O)[O-])[C@H]3C2=O)cc1 ZINC000247839042 562881594 /nfs/dbraw/zinc/88/15/94/562881594.db2.gz KFQUFMWWILUFGG-IMBSWCNGSA-N -1 3 502.523 2.926 50 10 KFCAHM COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4[O-])[NH2+][C@@](Cc4ccccc4)(C(=O)[O-])[C@H]3C2=O)cc1 ZINC000247839048 562881598 /nfs/dbraw/zinc/88/15/98/562881598.db2.gz KFQUFMWWILUFGG-NLJXWPIHSA-N -1 3 502.523 2.926 50 10 KFCAHM CC1CCN(Cc2c([O-])c(C[NH+]3CCC(C)CC3)c([O-])c3c(=O)c(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)coc23)CC1 ZINC000253499688 572293725 /nfs/dbraw/zinc/29/37/25/572293725.db2.gz QAJXTOOWSRMGOV-MMZXQRGYSA-N -1 3 654.757 2.514 50 10 KFCAHM CC1CCN(Cc2c([O-])c(C[NH+]3CCC(C)CC3)c([O-])c3c(=O)c(-c4ccc(O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)coc23)CC1 ZINC000253499690 572293798 /nfs/dbraw/zinc/29/37/98/572293798.db2.gz QAJXTOOWSRMGOV-SZSCTENRSA-N -1 3 654.757 2.514 50 10 KFCAHM C[C@H]1CCCCN1Cc1c([O-])c(C[N@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc12 ZINC000253499734 572293710 /nfs/dbraw/zinc/29/37/10/572293710.db2.gz VPHGNASNUHAYHV-ABSJPAKGSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@H]1CCCCN1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc12 ZINC000253499734 572293709 /nfs/dbraw/zinc/29/37/09/572293709.db2.gz VPHGNASNUHAYHV-ABSJPAKGSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(CN2CCCC[C@@H]2C)c2occ(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(=O)c2c1[O-] ZINC000253499735 572293682 /nfs/dbraw/zinc/29/36/82/572293682.db2.gz VPHGNASNUHAYHV-ITRMXJQPSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@@H]1CCCC[N@H+]1Cc1c([O-])c(CN2CCCC[C@@H]2C)c2occ(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(=O)c2c1[O-] ZINC000253499735 572293681 /nfs/dbraw/zinc/29/36/81/572293681.db2.gz VPHGNASNUHAYHV-ITRMXJQPSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@@H]1CCCCN1Cc1c([O-])c(C[N@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc12 ZINC000253499737 572293784 /nfs/dbraw/zinc/29/37/84/572293784.db2.gz VPHGNASNUHAYHV-NEIIYMBMSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@@H]1CCCCN1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc12 ZINC000253499737 572293783 /nfs/dbraw/zinc/29/37/83/572293783.db2.gz VPHGNASNUHAYHV-NEIIYMBMSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@@H]1CCCCN1Cc1c([O-])c(C[N@H+]2CCCC[C@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc12 ZINC000253499739 572293758 /nfs/dbraw/zinc/29/37/58/572293758.db2.gz VPHGNASNUHAYHV-ROTHSXEDSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@@H]1CCCCN1Cc1c([O-])c(C[N@@H+]2CCCC[C@H]2C)c([O-])c2c(=O)c(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc12 ZINC000253499739 572293757 /nfs/dbraw/zinc/29/37/57/572293757.db2.gz VPHGNASNUHAYHV-ROTHSXEDSA-N -1 3 654.757 2.799 50 10 KFCAHM C[C@H]1CCCN(Cc2c([O-])c(C[N@H+]3CCC[C@H](C)C3)c([O-])c3c(=O)c(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)coc23)C1 ZINC000253531250 572298696 /nfs/dbraw/zinc/29/86/96/572298696.db2.gz JWVPRIUMDUETIT-ABSJPAKGSA-N -1 3 654.757 2.514 50 10 KFCAHM C[C@H]1CCCN(Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c([O-])c3c(=O)c(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)coc23)C1 ZINC000253531250 572298694 /nfs/dbraw/zinc/29/86/94/572298694.db2.gz JWVPRIUMDUETIT-ABSJPAKGSA-N -1 3 654.757 2.514 50 10 KFCAHM C[C@@H]1CCC[N@H+](Cc2c([O-])c(CN3CCC[C@H](C)C3)c3occ(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)c(=O)c3c2[O-])C1 ZINC000253531251 572298722 /nfs/dbraw/zinc/29/87/22/572298722.db2.gz JWVPRIUMDUETIT-ITRMXJQPSA-N -1 3 654.757 2.514 50 10 KFCAHM C[C@@H]1CCC[N@@H+](Cc2c([O-])c(CN3CCC[C@H](C)C3)c3occ(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)c(=O)c3c2[O-])C1 ZINC000253531251 572298721 /nfs/dbraw/zinc/29/87/21/572298721.db2.gz JWVPRIUMDUETIT-ITRMXJQPSA-N -1 3 654.757 2.514 50 10 KFCAHM C[C@@H]1CCCN(Cc2c([O-])c(C[N@H+]3CCC[C@H](C)C3)c([O-])c3c(=O)c(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)coc23)C1 ZINC000253531252 572298760 /nfs/dbraw/zinc/29/87/60/572298760.db2.gz JWVPRIUMDUETIT-NEIIYMBMSA-N -1 3 654.757 2.514 50 10 KFCAHM C[C@@H]1CCCN(Cc2c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c([O-])c3c(=O)c(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)coc23)C1 ZINC000253531252 572298759 /nfs/dbraw/zinc/29/87/59/572298759.db2.gz JWVPRIUMDUETIT-NEIIYMBMSA-N -1 3 654.757 2.514 50 10 KFCAHM C[C@@H]1CCCN(Cc2c([O-])c(C[N@H+]3CCC[C@@H](C)C3)c([O-])c3c(=O)c(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)coc23)C1 ZINC000253531253 572298742 /nfs/dbraw/zinc/29/87/42/572298742.db2.gz JWVPRIUMDUETIT-ROTHSXEDSA-N -1 3 654.757 2.514 50 10 KFCAHM C[C@@H]1CCCN(Cc2c([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c([O-])c3c(=O)c(-c4ccc(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)cc4)coc23)C1 ZINC000253531253 572298741 /nfs/dbraw/zinc/29/87/41/572298741.db2.gz JWVPRIUMDUETIT-ROTHSXEDSA-N -1 3 654.757 2.514 50 10 KFCAHM O=c1c(-c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCCCC3)c([O-])c(C[NH+]3CCCCCC3)c([O-])c12 ZINC000253531254 572298701 /nfs/dbraw/zinc/29/87/01/572298701.db2.gz LBACSYOIVLDBSI-MMZXQRGYSA-N -1 3 654.757 2.802 50 10 KFCAHM O=c1c(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCCCC3)c([O-])c(C[NH+]3CCCCCC3)c([O-])c12 ZINC000253531255 572298706 /nfs/dbraw/zinc/29/87/06/572298706.db2.gz LBACSYOIVLDBSI-SZSCTENRSA-N -1 3 654.757 2.802 50 10 KFCAHM