smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOc1ccc(N2CC[NH+](CCn3cnc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)c(F)c1 ZINC000013983484 561736018 /nfs/dbraw/zinc/73/60/18/561736018.db2.gz BLXXHMCVQQAEGX-UHFFFAOYSA-N 1 0 521.557 2.303 1 10 KECFRO CC[C@]1(O)C[C@@H](O[C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@@H](C)O2)c2c(O)c3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000017653642 561757055 /nfs/dbraw/zinc/75/70/55/561757055.db2.gz LJZPVWKMAYDYAS-OXJNWOFJSA-N 1 0 569.607 2.158 1 10 KECFRO CCOC(=O)CCC[NH2+][C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@@H]1O ZINC000026177670 561771110 /nfs/dbraw/zinc/77/11/10/561771110.db2.gz FQEDBWOXQXTLMN-CZNBFUKTSA-N 1 0 641.670 2.003 1 10 KECFRO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 ZINC000026389923 561785418 /nfs/dbraw/zinc/78/54/18/561785418.db2.gz NEERRBMRXPJUQB-KJNQLLBQSA-N 1 0 568.715 2.280 1 10 KECFRO CC1=C[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)N2C(=O)C(Cc3ccccc3)(Cc3ccccc3)C(=O)N2C1 ZINC000026399059 561787974 /nfs/dbraw/zinc/78/79/74/561787974.db2.gz BHFCHAZVFUWCHC-ACHIHNKUSA-N 1 0 692.817 2.013 1 10 KECFRO CC1=C[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)N2C(=O)C(Cc3ccccc3)(Cc3ccccc3)C(=O)N2C1 ZINC000026399063 561787904 /nfs/dbraw/zinc/78/79/04/561787904.db2.gz BHFCHAZVFUWCHC-AJQTZOPKSA-N 1 0 692.817 2.013 1 10 KECFRO CC1=C[C@@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)N2C(=O)C(Cc3ccccc3)(Cc3ccccc3)C(=O)N2C1 ZINC000026399067 561787857 /nfs/dbraw/zinc/78/78/57/561787857.db2.gz BHFCHAZVFUWCHC-ZWXJPIIXSA-N 1 0 692.817 2.013 1 10 KECFRO CC1=C[C@H](C(=O)N[C@H](CCCC[NH3+])C(=O)C(=O)NCCc2ccc(C(N)=O)cc2)N2C(=O)C(Cc3ccccc3)(Cc3ccccc3)C(=O)N2C1 ZINC000026399072 561787922 /nfs/dbraw/zinc/78/79/22/561787922.db2.gz BHFCHAZVFUWCHC-ROJLCIKYSA-N 1 0 692.817 2.013 1 10 KECFRO C[C@@H]1O[C@H](O[C@H]2C[C@](O)(C(=O)N(C)c3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O ZINC000026404474 561789593 /nfs/dbraw/zinc/78/95/93/561789593.db2.gz RDVOGTGTXZVDCS-XROVYANXSA-N 1 0 588.613 2.094 1 10 KECFRO C[C@@H]1O[C@H](O[C@H]2C[C@](O)(C(=O)Nc3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@@H]1O ZINC000026470128 561790296 /nfs/dbraw/zinc/79/02/96/561790296.db2.gz BEXDSWUKQNBSHF-HVGHPRADSA-N 1 0 574.586 2.070 1 10 KECFRO COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH+]2CCC(OC)CC2)[C@@H](O)[C@H](C)O1 ZINC000026475241 561790945 /nfs/dbraw/zinc/79/09/45/561790945.db2.gz PGFYOUAPNAXANG-VUFYHFHZSA-N 1 0 625.671 2.181 1 10 KECFRO O=C(Cc1ccc(O)c(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1)OC[C@@H]1COc2ccccc2O1 ZINC000026567170 561797261 /nfs/dbraw/zinc/79/72/61/561797261.db2.gz VCWCDCYEBGTFDS-QHCPKHFHSA-N 1 0 509.603 2.058 1 10 KECFRO O=C(Cc1ccc(O)c(C[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1)OC[C@H]1COc2ccccc2O1 ZINC000026567174 561797289 /nfs/dbraw/zinc/79/72/89/561797289.db2.gz VCWCDCYEBGTFDS-HSZRJFAPSA-N 1 0 509.603 2.058 1 10 KECFRO Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1O ZINC000028011993 561896489 /nfs/dbraw/zinc/89/64/89/561896489.db2.gz ASUBAUGMSFNRFP-UHFFFAOYSA-N 1 0 511.030 2.327 1 10 KECFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C=C4SC(=O)NC4=O)cc3)CC2)ccc1O ZINC000028091051 561899919 /nfs/dbraw/zinc/89/99/19/561899919.db2.gz YMUVEBMQVDDYQI-QPLWNTGLSA-N 1 0 532.644 2.380 1 10 KECFRO CS(=O)(=O)Nc1cc([C@H](O)C[NH2+]C2CCN(c3ccc(C=C4SC(=O)NC4=O)cc3)CC2)ccc1O ZINC000028091058 561899941 /nfs/dbraw/zinc/89/99/41/561899941.db2.gz YMUVEBMQVDDYQI-ZUVVCWCJSA-N 1 0 532.644 2.380 1 10 KECFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C=C4SC(NC#N)=NC4=O)cc3)CC2)ccc1O ZINC000028103541 561902074 /nfs/dbraw/zinc/90/20/74/561902074.db2.gz HURVPTVUCFGPMY-PARNTHTPSA-N 1 0 556.670 2.097 1 10 KECFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(C=C4SC(NO)=NC4=O)cc3)CC2)ccc1O ZINC000028105874 561902279 /nfs/dbraw/zinc/90/22/79/561902279.db2.gz JXLHTBPBEWKEPH-QPLWNTGLSA-N 1 0 547.659 2.005 1 10 KECFRO CCCCC(=O)SCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H]([NH3+])[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000028256267 561911534 /nfs/dbraw/zinc/91/15/34/561911534.db2.gz MILKFEGXZHGXCC-JDWVXMJSSA-N 1 0 643.711 2.459 1 10 KECFRO CCCC(=O)SCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H]([NH3+])[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000028263827 561912501 /nfs/dbraw/zinc/91/25/01/561912501.db2.gz ZAJMGFPSIIBVJA-CJYZVZGHSA-N 1 0 629.684 2.069 1 10 KECFRO Cn1cc(NC(=O)c2cc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000028711791 561952420 /nfs/dbraw/zinc/95/24/20/561952420.db2.gz NNRTVTLMTRVYJR-UHFFFAOYSA-N 1 0 687.779 2.380 1 10 KECFRO Cn1cc(NC(=O)CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1C(=O)NCCC[NH+](C)C ZINC000028711797 561952422 /nfs/dbraw/zinc/95/24/22/561952422.db2.gz ATBCVVOBTYBRGF-UHFFFAOYSA-N 1 0 529.597 2.241 1 10 KECFRO CC(=O)COc1ccc(N2CC[NH+](CCn3ncc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)cc1 ZINC000028891940 561978284 /nfs/dbraw/zinc/97/82/84/561978284.db2.gz KKQZXVHOWDIROP-UHFFFAOYSA-N 1 0 501.551 2.106 1 10 KECFRO COc1cc2c3c(n(CCC[NH2+]CCN4CCOCC4)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 ZINC000035064654 562044581 /nfs/dbraw/zinc/04/45/81/562044581.db2.gz CYHZOMLNHVKVMJ-UHFFFAOYSA-N 1 0 521.570 2.271 1 10 KECFRO COc1ccc2c(c1)c(/C=C1/c3cc(S(N)(=O)=O)ccc3NC1=O)cn2CCCC(=O)N1CC[NH2+]CC1 ZINC000040900894 562083543 /nfs/dbraw/zinc/08/35/43/562083543.db2.gz ARWLIJSFOOSNEF-XKZIYDEJSA-N 1 0 523.615 2.002 1 10 KECFRO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N4CC[NH+](C)CC4)ccc3OC(F)(F)F)ncc1CC2 ZINC000043196882 562646775 /nfs/dbraw/zinc/64/67/75/562646775.db2.gz VEFDUZNTHFBSFU-UHFFFAOYSA-N 1 0 502.501 2.469 1 10 KECFRO CCCC(=O)SCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000043649817 562650649 /nfs/dbraw/zinc/65/06/49/562650649.db2.gz ZAJMGFPSIIBVJA-RNBYEUTDSA-N 1 0 629.684 2.069 1 10 KECFRO CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O ZINC000044360961 562655689 /nfs/dbraw/zinc/65/56/89/562655689.db2.gz HECQIFUUJRYFRO-VMINLZLMSA-N 1 0 527.570 2.150 1 10 in-vitro KECFRO COCCOc1ccc(N2CC[NH+](CCN(CCOC)c3cc4nc(-c5ccco5)nn4c(N)n3)CC2)cc1 ZINC000044417973 562657240 /nfs/dbraw/zinc/65/72/40/562657240.db2.gz YZQMIVUZSCWMIB-UHFFFAOYSA-N 1 0 536.637 2.267 1 10 KECFRO CCc1c2c(nc3ccc(OC)cc31)-c1cc3c(c(=O)n1C2)C(=O)O[C@@]3(CC)C(=O)NCCN1CC[NH+](C)CC1 ZINC000044431253 562657815 /nfs/dbraw/zinc/65/78/15/562657815.db2.gz GXKLYSXEAFZQQZ-SSEXGKCCSA-N 1 0 545.640 2.136 1 10 KECFRO CCCCC(=O)SCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000049615676 562666659 /nfs/dbraw/zinc/66/66/59/562666659.db2.gz MILKFEGXZHGXCC-VFKBUDIKSA-N 1 0 643.711 2.459 1 10 KECFRO CCOC(=O)CCC[NH2+][C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O ZINC000049637750 562667568 /nfs/dbraw/zinc/66/75/68/562667568.db2.gz FQEDBWOXQXTLMN-SIPOJWKHSA-N 1 0 641.670 2.003 1 10 KECFRO COCCOc1ccc(N2CC[NH+](CCn3ncc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)c(F)c1 ZINC000053188605 562696394 /nfs/dbraw/zinc/69/63/94/562696394.db2.gz ZQHMDORXGVCDDX-UHFFFAOYSA-N 1 0 521.557 2.303 1 10 KECFRO COCCOc1ccc(N2CC[NH+](CCn3cnc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)cc1 ZINC000053188748 562696432 /nfs/dbraw/zinc/69/64/32/562696432.db2.gz XKKWPFKDCSUYBS-UHFFFAOYSA-N 1 0 503.567 2.164 1 10 KECFRO CCOC(=O)CCC[NH2+][C@@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000058568863 562699553 /nfs/dbraw/zinc/69/95/53/562699553.db2.gz FQEDBWOXQXTLMN-IGJIUYPRSA-N 1 0 641.670 2.003 1 10 KECFRO COc1ccc(N2CC[NH+](CCCNC(=O)Cn3c(=O)c4cccn4c4c(C)ccnc43)CC2)c(OC)c1 ZINC000066123440 562712506 /nfs/dbraw/zinc/71/25/06/562712506.db2.gz PWRCXMOFBJYDLW-UHFFFAOYSA-N 1 0 518.618 2.303 1 10 KECFRO O=C(Cn1c(=O)c2cccn2c2cc(Br)cnc21)NCCC[NH+]1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000066128480 562712771 /nfs/dbraw/zinc/71/27/71/562712771.db2.gz LORASJOAJFSHBR-UHFFFAOYSA-N 1 0 567.444 2.469 1 10 KECFRO Cc1ccnc2c1n1cccc1c(=O)n2CC(=O)NCCC[NH+]1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000066157399 562713927 /nfs/dbraw/zinc/71/39/27/562713927.db2.gz QVSBULPGLKHZHX-UHFFFAOYSA-N 1 0 502.575 2.015 1 10 KECFRO COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](C)O)C[C@@H]3O[C@H]1C[C@H]([NH+]2CCCCC2)[C@H](O)[C@H](C)O1 ZINC000072138066 562728599 /nfs/dbraw/zinc/72/85/99/562728599.db2.gz RQDGEGAUEFXSEO-QWKZQFPMSA-N 1 0 597.661 2.348 1 10 KECFRO COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@H]1C[C@H]([NH+]2CCCCC2)[C@H](O)[C@H](C)O1 ZINC000072138067 562728623 /nfs/dbraw/zinc/72/86/23/562728623.db2.gz RQDGEGAUEFXSEO-SUVGWFDVSA-N 1 0 597.661 2.348 1 10 KECFRO NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NCCC[NH+](CCO)CCO)cccc32)cc1 ZINC000073294954 562737664 /nfs/dbraw/zinc/73/76/64/562737664.db2.gz ZXXSWUJLRCEGRM-UHFFFAOYSA-N 1 0 537.642 2.186 1 10 KECFRO C[NH+]1CCN(c2ccc(OC(F)(F)F)c(Nc3nccc(-c4cc(C(N)=O)cn4CCO)n3)c2)CC1 ZINC000082158054 562741034 /nfs/dbraw/zinc/74/10/34/562741034.db2.gz QQIWAVQDVGCCQI-UHFFFAOYSA-N 1 0 505.501 2.430 1 10 KECFRO COc1cccc2c1sc(NC(N)=O)c2C(=O)N1CCC([N@@H+]2CCCC3(C2)C(=O)N2CCCCN2C3=O)CC1 ZINC000084688675 562749224 /nfs/dbraw/zinc/74/92/24/562749224.db2.gz INYAVZRXFNEAPV-UHFFFAOYSA-N 1 0 554.673 2.467 1 10 KECFRO COc1cc(O[C@@H]2O[C@H](CO)[C@](O)(CCc3cc[nH+]c(N)c3)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(CCc3ccccc3)cc(O)c1C2=O ZINC000085568982 291745217 /nfs/dbraw/zinc/74/52/17/291745217.db2.gz SFEHUVCROVBTEP-QWFNLHSOSA-N 1 0 656.688 2.120 1 10 biogenic,in-vitro KECFRO CC1C=C2C(=O)c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@](O)(C[C@]56CCC[C@H]5CCc5c[nH+]c(N)cc56)[C@H]4O)c3C(=O)C2=C(O)C1 ZINC000085592409 565146938 /nfs/dbraw/zinc/14/69/38/565146938.db2.gz ZGLLYIOIKQLADI-DWPWXOAYSA-N 1 0 618.683 2.300 1 10 biogenic,in-vitro KECFRO Nc1cc(CC[C@]2(O)[C@H](O)[C@@H](CO)O[C@@H](Oc3cccc4c3C(=O)C3=C(O)CC(C5CCCCC5)C=C3C4=O)[C@@H]2O)cc[nH+]1 ZINC000085592426 291749239 /nfs/dbraw/zinc/74/92/39/291749239.db2.gz JKTGYNHICLIDQN-NBLWMYSRSA-N 1 0 606.672 2.419 1 10 biogenic,in-vitro KECFRO CNC1=[NH+]CCC[C@@](C/C(C)=C/C[C@@]23O[C@]2(C(=O)OC)C(=O)c2ccccc2C3=O)(c2ccnc(N)c2)N1 ZINC000085592696 291741672 /nfs/dbraw/zinc/74/16/72/291741672.db2.gz DVSNMKVOYHYZHE-XRKPVREMSA-N 1 0 517.586 2.304 1 10 biogenic,in-vitro KECFRO CNC(=[NH2+])N[C@@H](CC(C)=CC[C@@]12O[C@]1(C(=O)OCCCCO)C(=O)c1ccccc1C2=O)c1ccnc(N)c1 ZINC000085592708 560065621 /nfs/dbraw/zinc/06/56/21/560065621.db2.gz AKMVSOKUNPSPNU-ZULJGFCPSA-N 1 0 535.601 2.078 1 10 biogenic,in-vitro KECFRO CC(=O)Oc1cc(CO)c2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(C3CC[NH2+]CC3)c(O)c1C2=O ZINC000085593344 565149539 /nfs/dbraw/zinc/14/95/39/565149539.db2.gz FXAXSSLRHQWOSB-UBZBFMBUSA-N 1 0 659.688 2.429 1 10 biogenic,in-vitro KECFRO COC(=O)[C@H](CCCCCCC[NH2+][C@@H]1C[C@H](O[C@@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@@H]1O)OC(C)=O ZINC000095612482 562785501 /nfs/dbraw/zinc/78/55/01/562785501.db2.gz WVEPZNVNJBHNLV-CUJMTLKFSA-N 1 0 771.813 2.078 1 10 KECFRO COC(=O)[C@H](CCCCCCC[NH2+][C@@H]1C[C@H](O[C@@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@@H]1O)OC(C)=O ZINC000095612483 562785524 /nfs/dbraw/zinc/78/55/24/562785524.db2.gz WVEPZNVNJBHNLV-WTUIWFDKSA-N 1 0 771.813 2.078 1 10 KECFRO COC(=O)[C@H](CCCCCCC[NH2+][C@@H]1C[C@H](O[C@@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@H](C)[C@H]1O)OC(C)=O ZINC000095612484 562785536 /nfs/dbraw/zinc/78/55/36/562785536.db2.gz WVEPZNVNJBHNLV-HKNVTRBISA-N 1 0 771.813 2.078 1 10 KECFRO COC(=O)[C@H](CCCCCCC[NH2+][C@@H]1C[C@H](O[C@@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O)OC(C)=O ZINC000095612485 562785578 /nfs/dbraw/zinc/78/55/78/562785578.db2.gz WVEPZNVNJBHNLV-ZEFHTFHESA-N 1 0 771.813 2.078 1 10 KECFRO CC[NH+](CC)[C@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000137733963 562831514 /nfs/dbraw/zinc/83/15/14/562831514.db2.gz FJOIDHYFPHMBST-XGGCRALDSA-N 1 0 583.634 2.412 1 10 KECFRO CCC[NH+](CCC)CC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000160806592 562849085 /nfs/dbraw/zinc/84/90/85/562849085.db2.gz RNYPLQPEJIEJMK-PEXABYJMSA-N 1 0 668.740 2.308 1 10 KECFRO COc1cc2c(cc1OCCC[NH3+])c1c(n(CCCN3CCOCC3)c2=O)-c2cc3c(cc2C1=O)OCO3 ZINC000169332532 562859153 /nfs/dbraw/zinc/85/91/53/562859153.db2.gz UJSGRWBELQZRGD-UHFFFAOYSA-N 1 0 521.570 2.400 1 10 KECFRO COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH+]2CCC(OC)CC2)[C@@H](O)[C@@H](C)O1 ZINC000169370375 562864753 /nfs/dbraw/zinc/86/47/53/562864753.db2.gz PGFYOUAPNAXANG-PWKFKNBXSA-N 1 0 625.671 2.181 1 10 KECFRO CCC(=O)OCc1c([C@@](O)(CC)C(=O)NCC[NH+](C)C)cc2n(c1=O)Cc1c-2nc2ccc(O)cc2c1[Si](C)(C)C ZINC000195302239 562871633 /nfs/dbraw/zinc/87/16/33/562871633.db2.gz FUBSVCHUPSFCAH-PMERELPUSA-N 1 0 580.758 2.405 1 10 KECFRO C[C@@H]1O[C@H](O[C@H]2C[C@](O)(C(=O)N(C)c3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H]([NH3+])[C@H]1O ZINC000253634334 562882171 /nfs/dbraw/zinc/88/21/71/562882171.db2.gz RDVOGTGTXZVDCS-NTVDLRMWSA-N 1 0 588.613 2.094 1 10 KECFRO C[C@@H]1O[C@H](O[C@H]2C[C@](O)(C(=O)N(C)c3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H]([NH3+])[C@H]1O ZINC000253634336 562882179 /nfs/dbraw/zinc/88/21/79/562882179.db2.gz RDVOGTGTXZVDCS-VJUSQHOASA-N 1 0 588.613 2.094 1 10 KECFRO C[C@@H]1O[C@H](O[C@H]2C[C@](O)(C(=O)N(C)c3ccccc3)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@H]([NH3+])[C@@H]1O ZINC000253634339 562882190 /nfs/dbraw/zinc/88/21/90/562882190.db2.gz RDVOGTGTXZVDCS-VWQSLOAESA-N 1 0 588.613 2.094 1 10 KECFRO CC[C@]1(O)C[C@@H](O[C@@H]2C[C@H]([NH+](C)C)[C@@H](O)[C@H](C)O2)c2c(O)c3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000299845893 562889565 /nfs/dbraw/zinc/88/95/65/562889565.db2.gz LJZPVWKMAYDYAS-HTQVSMCZSA-N 1 0 569.607 2.158 1 10 KECFRO CC[C@]1(O)C[C@@H](O[C@@H]2C[C@H]([NH+](C)C)[C@H](O)[C@@H](C)O2)c2c(O)c3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000299845896 562889559 /nfs/dbraw/zinc/88/95/59/562889559.db2.gz LJZPVWKMAYDYAS-OYDHFGAISA-N 1 0 569.607 2.158 1 10 KECFRO CCN1c2cc(OCc3no[n+]([O-])c3C(N)=O)ccc2S/C1=C\C=C\c1sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc2[n+]1CC ZINC000473090817 562897604 /nfs/dbraw/zinc/89/76/04/562897604.db2.gz AQAODBYMKXCYCV-UHFFFAOYSA-O 1 0 679.717 2.294 1 10 KECFRO