smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCOCCOCCOCCO3)c1 ZINC000005729333 562944566 /nfs/dbraw/zinc/94/45/66/562944566.db2.gz WUMWYQXFXMWTPA-UHFFFAOYSA-N -1 1 437.514 2.617 1 0 IFAFMM CCOC(=O)N1CC[C@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[n-]c3=O)S[C@H]2C1 ZINC000028524612 563056505 /nfs/dbraw/zinc/05/65/05/563056505.db2.gz DURZBFLPZLXKKW-DOMZBBRYSA-N -1 1 447.513 2.883 1 0 IFAFMM CN(C)Cc1nc(=O)c2sc3ccc(-c4ccc(OC[C@@H](O)CO)cc4)cc3c2[n-]1 ZINC000045289957 563128774 /nfs/dbraw/zinc/12/87/74/563128774.db2.gz FDCZCIGFGKWALA-HNNXBMFYSA-N -1 1 425.510 2.598 1 0 IFAFMM COc1c(Br)cc(C(=O)Nc2nnn[n-]2)c(OC(C)C)c1Br ZINC000095539601 563180618 /nfs/dbraw/zinc/18/06/18/563180618.db2.gz KBCNTWJJZLPXTF-UHFFFAOYSA-N -1 1 435.076 2.773 1 0 IFAFMM COc1c(Br)cc(C(=O)Nc2nn[n-]n2)c(OC(C)C)c1Br ZINC000095539601 563180619 /nfs/dbraw/zinc/18/06/19/563180619.db2.gz KBCNTWJJZLPXTF-UHFFFAOYSA-N -1 1 435.076 2.773 1 0 IFAFMM COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cc21 ZINC000008592852 132284264 /nfs/dbraw/zinc/28/42/64/132284264.db2.gz POYFMWFKQCLQGB-UHFFFAOYSA-N -1 1 444.893 2.892 1 0 IFAFMM COC(=O)CN(C(=O)CCCOc1ccc2[nH]c3nc(=O)[n-]c-3cc2c1)C1CCCCC1 ZINC000003778309 562937709 /nfs/dbraw/zinc/93/77/09/562937709.db2.gz QUDPEUROOLGXHA-UHFFFAOYSA-N -1 1 440.500 2.898 1 0 IFAFMM CN(Cc1ccccc1)[C@@H]1CCCn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc21 ZINC000014979461 563017286 /nfs/dbraw/zinc/01/72/86/563017286.db2.gz SAUVKIVZRRWJCU-LJQANCHMSA-N -1 1 436.487 2.985 1 0 IFAFMM O=C(Nc1ccncc1)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000020235439 563024273 /nfs/dbraw/zinc/02/42/73/563024273.db2.gz ADRNPUSZBRQDBG-QGZVFWFLSA-N -1 1 425.495 2.745 1 0 IFAFMM O=C([O-])[C@@H]1CN(CCC[P@@](=O)([O-])O)CC[NH+]1CCC(c1ccccc1)c1ccccc1 ZINC000026737345 563036119 /nfs/dbraw/zinc/03/61/19/563036119.db2.gz VDQHHCNKARUPDD-QFIPXVFZSA-N -1 1 446.484 2.847 1 0 IFAFMM O=C([O-])[C@@H]1CN(CCCP(=O)([O-])O)CC[N@@H+]1CCC(c1ccccc1)c1ccccc1 ZINC000026737345 563036120 /nfs/dbraw/zinc/03/61/20/563036120.db2.gz VDQHHCNKARUPDD-QFIPXVFZSA-N -1 1 446.484 2.847 1 0 IFAFMM O=C([O-])[C@@H]1CN(CCCP(=O)([O-])O)CC[N@H+]1CCC(c1ccccc1)c1ccccc1 ZINC000026737345 563036122 /nfs/dbraw/zinc/03/61/22/563036122.db2.gz VDQHHCNKARUPDD-QFIPXVFZSA-N -1 1 446.484 2.847 1 0 IFAFMM CCOC(=O)N1CC[C@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[n-]c3=O)S[C@@H]2C1 ZINC000028524610 563056538 /nfs/dbraw/zinc/05/65/38/563056538.db2.gz DURZBFLPZLXKKW-IUODEOHRSA-N -1 1 447.513 2.883 1 0 IFAFMM O=C(Cn1ccc([N-]C(=O)OCc2ccccc2)nc1=O)NCCc1c[nH]c2ccccc12 ZINC000036389454 563095071 /nfs/dbraw/zinc/09/50/71/563095071.db2.gz YAEWOUQPOXLXEU-UHFFFAOYSA-N -1 1 445.479 2.832 3 0 IFAFMM COc1ccc(-c2oc3c4c(cc([O-])c3c(=O)c2OS(N)(=O)=O)OC(C)(C)CC4)cc1 ZINC000095536695 563180593 /nfs/dbraw/zinc/18/05/93/563180593.db2.gz LCMDCNFZGCEBKI-UHFFFAOYSA-N -1 1 447.465 2.860 1 0 IFAFMM Cc1nc(SCC(=O)c2cccc(S(N)(=O)=O)c2)[n-]c(=O)c1Cc1ccccc1 ZINC000096940234 563200138 /nfs/dbraw/zinc/20/01/38/563200138.db2.gz RZGJOMPTDIVYQA-UHFFFAOYSA-N -1 1 429.523 2.704 1 0 IFAFMM O=C([O-])CCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682650 563001013 /nfs/dbraw/zinc/00/10/13/563001013.db2.gz LZYIRBZPGYZHJZ-UHFFFAOYSA-N -1 1 444.328 2.732 1 0 IFAFMM CCCc1nc(CO)n2[n-]c(=O)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013737980 563002705 /nfs/dbraw/zinc/00/27/05/563002705.db2.gz SCRQVKNUUSRLKG-UHFFFAOYSA-N -1 1 442.483 2.713 1 0 IFAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccnc4)c3O)[nH]c2c1 ZINC000014957050 563015934 /nfs/dbraw/zinc/01/59/34/563015934.db2.gz MURBWCHGWQNSHJ-HNNXBMFYSA-N -1 1 445.435 2.924 1 0 IFAFMM O=C([O-])[C@H]1CN(CCC[P@@](=O)([O-])O)CC[NH+]1CCC(c1ccccc1)c1ccccc1 ZINC000026737351 563036179 /nfs/dbraw/zinc/03/61/79/563036179.db2.gz VDQHHCNKARUPDD-JOCHJYFZSA-N -1 1 446.484 2.847 1 0 IFAFMM O=C([O-])[C@H]1CN(CCCP(=O)([O-])O)CC[N@@H+]1CCC(c1ccccc1)c1ccccc1 ZINC000026737351 563036180 /nfs/dbraw/zinc/03/61/80/563036180.db2.gz VDQHHCNKARUPDD-JOCHJYFZSA-N -1 1 446.484 2.847 1 0 IFAFMM O=C([O-])[C@H]1CN(CCCP(=O)([O-])O)CC[N@H+]1CCC(c1ccccc1)c1ccccc1 ZINC000026737351 563036182 /nfs/dbraw/zinc/03/61/82/563036182.db2.gz VDQHHCNKARUPDD-JOCHJYFZSA-N -1 1 446.484 2.847 1 0 IFAFMM CN(c1c2c(c([O-])c3ncc(Cc4ccc(F)cc4)cc31)C(=O)N(C)C2)S(C)(=O)=O ZINC000040863355 563108452 /nfs/dbraw/zinc/10/84/52/563108452.db2.gz ACGUPURFNDYXDD-UHFFFAOYSA-N -1 1 429.473 2.652 1 0 IFAFMM Cc1ccc2ccc(C(=O)NCCNC(=O)c3ccc4ccc(C)nc4c3O)c([O-])c2n1 ZINC000040878743 563109652 /nfs/dbraw/zinc/10/96/52/563109652.db2.gz UKXQYSHUMMRKCJ-UHFFFAOYSA-N -1 1 430.464 2.971 1 0 IFAFMM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3n[nH]c(OC)c3c2)c1OC ZINC000072181634 563167333 /nfs/dbraw/zinc/16/73/33/563167333.db2.gz IDJOBYVGWDAOFB-UHFFFAOYSA-N -1 1 437.453 2.518 1 0 IFAFMM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1OC ZINC000072181634 563167334 /nfs/dbraw/zinc/16/73/34/563167334.db2.gz IDJOBYVGWDAOFB-UHFFFAOYSA-N -1 1 437.453 2.518 1 0 IFAFMM O=C(Nc1ccc(N(CCO)CCO)cc1)c1c[n-]c2cc(Cl)cc(Cl)c2c1=O ZINC000073277580 563171735 /nfs/dbraw/zinc/17/17/35/563171735.db2.gz SKZQIZSEIJUFOR-UHFFFAOYSA-N -1 1 436.295 2.878 1 0 IFAFMM NC(=[NH2+])c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccnc4)c3O)[nH]c2c1 ZINC000014957046 563015924 /nfs/dbraw/zinc/01/59/24/563015924.db2.gz MURBWCHGWQNSHJ-OAHLLOKOSA-N -1 1 445.435 2.924 1 0 IFAFMM O=C(NCc1ccccc1)[C@@H]1[C@H](COP(=O)([O-])[O-])[C@H]2CCC[N@H+]2[C@@H]1c1ccccc1 ZINC000035271075 563089739 /nfs/dbraw/zinc/08/97/39/563089739.db2.gz OQBSZZRWZJKHLZ-XRXFAXGQSA-N -1 1 430.441 2.864 1 0 IFAFMM CN(C)Cc1nc(=O)c2sc3ccc(-c4ccc(OC[C@H](O)CO)cc4)cc3c2[n-]1 ZINC000045289954 563128744 /nfs/dbraw/zinc/12/87/44/563128744.db2.gz FDCZCIGFGKWALA-OAHLLOKOSA-N -1 1 425.510 2.598 1 0 IFAFMM O=C1NCCN1c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000073141399 563169051 /nfs/dbraw/zinc/16/90/51/563169051.db2.gz LVAJSWICQDDDIF-UHFFFAOYSA-N -1 1 443.266 2.622 1 0 IFAFMM COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000073279272 563171761 /nfs/dbraw/zinc/17/17/61/563171761.db2.gz DYVHPJBHLVNHSQ-ZDUSSCGKSA-N -1 1 440.543 2.605 1 0 IFAFMM Cc1ccccc1O[C@@H](C)C(=O)Nn1c(=O)cc([O-])n(-c2ccc(Cl)cc2)c1=S ZINC000001863331 562925150 /nfs/dbraw/zinc/92/51/50/562925150.db2.gz QBBNBCRPKDJUFD-ZDUSSCGKSA-N -1 1 431.901 2.997 1 0 IFAFMM COc1ccc(CCc2ccc(S(=O)(=O)N[C@@H](C(C)C)[P@](=O)([O-])O)cc2)cc1 ZINC000028643030 563060581 /nfs/dbraw/zinc/06/05/81/563060581.db2.gz AGSXHHFUSDGSSO-LJQANCHMSA-N -1 1 427.459 2.919 1 0 IFAFMM COc1cc(O)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1NC(=O)CCC(=O)[O-] ZINC000087613127 563180006 /nfs/dbraw/zinc/18/00/06/563180006.db2.gz WYNFWEHUNYACRN-CYBMUJFWSA-N -1 1 448.497 2.734 1 0 IFAFMM CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(C)C)c(C)c(=O)[n-]1 ZINC000095571587 563184566 /nfs/dbraw/zinc/18/45/66/563184566.db2.gz JJCOQCZLTSYGNR-UHFFFAOYSA-N -1 1 448.589 2.594 1 0 IFAFMM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(CCCO)c2OC1(C)C ZINC000085595318 291339376 /nfs/dbraw/zinc/33/93/76/291339376.db2.gz GCLQXXGBZMGWAO-OMLDUKLJSA-N -1 1 432.469 2.507 1 0 biogenic,in-vitro IFAFMM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(CCCO)c2OC1(C)C ZINC000085595318 291339377 /nfs/dbraw/zinc/33/93/77/291339377.db2.gz GCLQXXGBZMGWAO-OMLDUKLJSA-N -1 1 432.469 2.507 1 0 biogenic,in-vitro IFAFMM CC[C@H](C)NC(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000006296489 562946602 /nfs/dbraw/zinc/94/66/02/562946602.db2.gz RSZIEWFFKVHYGW-AWEZNQCLSA-N -1 1 425.510 2.808 1 0 IFAFMM CCCNC(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746904 563004144 /nfs/dbraw/zinc/00/41/44/563004144.db2.gz AIVZWVQMNJFOIL-OFAXGOBFSA-N -1 1 440.496 2.791 1 0 IFAFMM O=C([O-])C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2[nH]c(=O)oc2c1 ZINC000013817632 563009528 /nfs/dbraw/zinc/00/95/28/563009528.db2.gz HMSRWRARJSOMMA-SFHVURJKSA-N -1 1 438.484 2.919 1 0 IFAFMM COc1cc(OC)c(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1[N-]S(C)(=O)=O ZINC000073279270 563171750 /nfs/dbraw/zinc/17/17/50/563171750.db2.gz DYVHPJBHLVNHSQ-CYBMUJFWSA-N -1 1 440.543 2.605 1 0 IFAFMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(Cc2ccc(C(N)=O)cc2)C3=O)cc1 ZINC000095605820 563194136 /nfs/dbraw/zinc/19/41/36/563194136.db2.gz QVSZWRPEXBSLJI-UHFFFAOYSA-N -1 1 449.488 2.691 1 0 IFAFMM O=C(CCCOc1ccc2[nH]c3nc(=O)[n-]c-3cc2c1)N1CCN(c2ccccc2)CC1 ZINC000013725930 563001296 /nfs/dbraw/zinc/00/12/96/563001296.db2.gz WAEGLNICSZBTBF-UHFFFAOYSA-N -1 1 431.496 2.912 1 0 IFAFMM CCOC(=O)N1CC[C@@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[n-]c3=O)S[C@@H]2C1 ZINC000028524611 563056509 /nfs/dbraw/zinc/05/65/09/563056509.db2.gz DURZBFLPZLXKKW-SWLSCSKDSA-N -1 1 447.513 2.883 1 0 IFAFMM Cc1cc(COc2ccc(C(=O)N[C@@]3(C)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892530 563068491 /nfs/dbraw/zinc/06/84/91/563068491.db2.gz VXTCOPDBGATGEE-UHFFFAOYSA-N -1 1 432.436 2.817 1 0 IFAFMM CCOc1c(Br)cc([C@H]2[N-]S(=O)(=O)N=C3CCCCCN32)cc1OC ZINC000002660031 562929602 /nfs/dbraw/zinc/92/96/02/562929602.db2.gz OIEVXYJHIHYXKM-INIZCTEOSA-N -1 1 432.340 2.978 3 0 IFAFMM CCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O ZINC000008606987 562957170 /nfs/dbraw/zinc/95/71/70/562957170.db2.gz LTEKYZOLYJOVKG-UHFFFAOYSA-N -1 1 443.525 2.892 3 0 IFAFMM CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2CCN1Cc1ccccc1 ZINC000036518651 563095732 /nfs/dbraw/zinc/09/57/32/563095732.db2.gz HSIRJJUCSDDUHB-UHFFFAOYSA-N -1 1 436.487 2.769 1 0 IFAFMM CCOC(=O)C1=C(NC(=O)Cn2cnc3ccccc3c2=O)[N-]c2ccccc2N=C1CC ZINC000006498581 562946963 /nfs/dbraw/zinc/94/69/63/562946963.db2.gz LMEDHCNYZLPVSQ-UHFFFAOYSA-N -1 1 445.479 2.896 1 0 IFAFMM O=C(Nc1ccncc1)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000016051895 563020824 /nfs/dbraw/zinc/02/08/24/563020824.db2.gz ADRNPUSZBRQDBG-KRWDZBQOSA-N -1 1 425.495 2.745 1 0 in-vivo IFAFMM C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cc4c5ccccc5oc4c(C4=NCCN4C)c3)C[C@H]12 ZINC000026749510 563036506 /nfs/dbraw/zinc/03/65/06/563036506.db2.gz IOEBXKUZRBNXIC-ZQBYOIRZSA-N -1 1 445.475 2.685 1 0 IFAFMM CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(N3CCN(C)CC3)cc12)C(=O)[O-] ZINC000073224829 563171035 /nfs/dbraw/zinc/17/10/35/563171035.db2.gz WLOPIASEMSFICU-NRFANRHFSA-N -1 1 445.541 2.725 1 0 IFAFMM COc1cc(O)c(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1NC(=O)CCC(=O)[O-] ZINC000087613128 563179991 /nfs/dbraw/zinc/17/99/91/563179991.db2.gz WYNFWEHUNYACRN-ZDUSSCGKSA-N -1 1 448.497 2.734 1 0 IFAFMM COc1cc(CCC(=O)OCC(=O)[N-]C(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000009540341 562973112 /nfs/dbraw/zinc/97/31/12/562973112.db2.gz XGOJUGPZFKIFPX-UHFFFAOYSA-N -1 1 435.860 2.798 3 0 IFAFMM COc1ccccc1N1CCN(CCCn2c([O-])nc3c4ccccc4[nH]c3c2=O)CC1 ZINC000013822190 563010157 /nfs/dbraw/zinc/01/01/57/563010157.db2.gz UZRVBSAZMGMVTH-UHFFFAOYSA-N -1 1 433.512 2.804 1 0 IFAFMM CCOC(=O)N1CC[C@@H]2c3c(nc(-c4cc(OC)c(OC)c(OC)c4)[n-]c3=O)S[C@H]2C1 ZINC000028524613 563056528 /nfs/dbraw/zinc/05/65/28/563056528.db2.gz DURZBFLPZLXKKW-WFASDCNBSA-N -1 1 447.513 2.883 1 0 IFAFMM Cc1cc(COc2ccc(NC(=O)CC3(C)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892543 563068471 /nfs/dbraw/zinc/06/84/71/563068471.db2.gz MGBNOWDPMVHDEX-UHFFFAOYSA-N -1 1 446.463 2.823 1 0 IFAFMM O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[n-]c2c1c(F)cnc2-c1cnco1 ZINC000034820840 563088058 /nfs/dbraw/zinc/08/80/58/563088058.db2.gz BKTSRBTZGGUXTK-UHFFFAOYSA-N -1 1 447.426 2.524 1 0 IFAFMM O=C(Cn1ccc([N-]C(=O)OCc2ccccc2)nc1=O)NCc1ccc2[nH]ccc2c1 ZINC000036389494 563095076 /nfs/dbraw/zinc/09/50/76/563095076.db2.gz NKIOILUBBKRIMM-UHFFFAOYSA-N -1 1 431.452 2.790 3 0 IFAFMM O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(OCCN3CCOCC3)cc([O-])c12 ZINC000045506072 563134814 /nfs/dbraw/zinc/13/48/14/563134814.db2.gz LGWVRJNVEGULJE-UHFFFAOYSA-N -1 1 425.437 2.648 1 0 IFAFMM O=c1cc(OCCN2CCOCC2)cc2oc(-c3ccc4c(c3)OCCO4)cc([O-])c1-2 ZINC000045506072 563134815 /nfs/dbraw/zinc/13/48/15/563134815.db2.gz LGWVRJNVEGULJE-UHFFFAOYSA-N -1 1 425.437 2.648 1 0 IFAFMM Fc1ccc(Br)c(OC2CCN(c3nnc(-c4nn[n-]n4)s3)CC2)c1 ZINC000095576590 563186012 /nfs/dbraw/zinc/18/60/12/563186012.db2.gz VJYMDTMHJYNRJZ-UHFFFAOYSA-N -1 1 426.275 2.668 1 0 IFAFMM CCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[n-]1 ZINC000014955552 563015786 /nfs/dbraw/zinc/01/57/86/563015786.db2.gz SKPWBUIUFSHXIX-UHFFFAOYSA-N -1 1 435.488 2.930 1 0 IFAFMM O=C1c2c(c(N3CCCS3(=O)=O)c3cccnc3c2[O-])CN1Cc1ccc(F)cc1 ZINC000028979481 563071572 /nfs/dbraw/zinc/07/15/72/563071572.db2.gz MMBBJCRSMKEDSV-UHFFFAOYSA-N -1 1 427.457 2.775 1 0 IFAFMM O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[n-]c2c1c(F)cnc2-c1ncco1 ZINC000034820830 563088062 /nfs/dbraw/zinc/08/80/62/563088062.db2.gz IZRBUYMJJJICFD-UHFFFAOYSA-N -1 1 447.426 2.524 1 0 IFAFMM CC(C)(NC(=O)OCc1ccccc1)C1=NC(C(=O)NCc2ccccc2)C(=O)C(=O)[N-]1 ZINC000095561773 563182474 /nfs/dbraw/zinc/18/24/74/563182474.db2.gz 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CC[C@@]1(C)NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(OC(F)F)cc3)ccc2NC1=O ZINC000096909534 563197708 /nfs/dbraw/zinc/19/77/08/563197708.db2.gz QBHUGPKPNMGAOH-LJQANCHMSA-N -1 1 439.440 2.939 1 0 IFAFMM CN(Cc1ccccc1)[C@H]1CCCn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc21 ZINC000014979464 563017248 /nfs/dbraw/zinc/01/72/48/563017248.db2.gz SAUVKIVZRRWJCU-IBGZPJMESA-N -1 1 436.487 2.985 1 0 IFAFMM COc1ccc2c(oc(/C=C/C(N)=O)c2C(=O)c2cc(OC)c(OC)c(OC)c2)c1[O-] ZINC000072142468 563164784 /nfs/dbraw/zinc/16/47/84/563164784.db2.gz ZCXIFSYDVLGANP-BQYQJAHWSA-N -1 1 427.409 2.902 1 0 IFAFMM CC[C@@H](C)NC(=O)c1c[n-]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000004654436 562943431 /nfs/dbraw/zinc/94/34/31/562943431.db2.gz RSZIEWFFKVHYGW-CQSZACIVSA-N -1 1 425.510 2.808 1 0 IFAFMM O=C(CCCOc1ccc2[nH]c3nc(=O)[n-]c-3cc2c1)N1CCN(Cc2ccccc2)CC1 ZINC000026647957 563034597 /nfs/dbraw/zinc/03/45/97/563034597.db2.gz AZQVUHNTWGVLBF-UHFFFAOYSA-N -1 1 445.523 2.908 1 0 IFAFMM CCOCC[C@]1(Oc2ccc(Oc3ccc(C(=O)NC)cc3)cc2)C(=O)[N-]C(=O)NC1=O 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