smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 ZINC000003775616 132267875 /nfs/dbraw/zinc/26/78/75/132267875.db2.gz QODLQMRVDCCJTB-LLVKDONJSA-N 0 2 433.461 2.153 1 0 IEAFLN CC[C@]1(N2C(=O)c3c(c(F)c(F)c(F)c3F)C2=O)C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000001490927 535956161 /nfs/dbraw/zinc/95/61/61/535956161.db2.gz VEOGKKIBNYROKA-FQEVSTJZSA-N 0 2 449.316 2.271 1 0 IEAFLN CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@@H](CC(C)C)[P@@](=O)([O-])O ZINC000013733551 563002158 /nfs/dbraw/zinc/00/21/58/563002158.db2.gz WSAIKZWHQAFUEX-GBESFXJTSA-N 0 2 441.509 2.014 1 0 IEAFLN CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[NH2+][C@@H](CC(C)C)[P@](=O)([O-])O ZINC000013733551 563002159 /nfs/dbraw/zinc/00/21/59/563002159.db2.gz WSAIKZWHQAFUEX-GBESFXJTSA-N 0 2 441.509 2.014 1 0 IEAFLN CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@@](=O)([O-])O ZINC000013734529 563002180 /nfs/dbraw/zinc/00/21/80/563002180.db2.gz WVIZSLNWTBWTFE-LJQANCHMSA-N 0 2 434.429 2.059 1 0 IEAFLN CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)([O-])O ZINC000013734529 563002181 /nfs/dbraw/zinc/00/21/81/563002181.db2.gz WVIZSLNWTBWTFE-LJQANCHMSA-N 0 2 434.429 2.059 1 0 IEAFLN C[C@@H]1COc2c(N3CCN(C(=O)c4ccco4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c32 ZINC000029128333 563075104 /nfs/dbraw/zinc/07/51/04/563075104.db2.gz MPQYEOKPXPVCDR-GFCCVEGCSA-N 0 2 441.415 2.348 1 0 IEAFLN O=C(NCc1cccnc1)c1ccc2c(c1)[nH]c(=S)n(CCCN1CCCC1=O)c2=O ZINC000002970731 562931368 /nfs/dbraw/zinc/93/13/68/562931368.db2.gz WWAZLOFTSFURJF-UHFFFAOYSA-N 0 2 437.525 2.023 1 0 IEAFLN O=C(NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(F)(F)F ZINC000011524793 562978880 /nfs/dbraw/zinc/97/88/80/562978880.db2.gz LMQOHPPVAXMJNZ-LBPRGKRZSA-N 0 2 438.399 2.122 1 0 IEAFLN CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@@](=O)([O-])O ZINC000013734532 563002121 /nfs/dbraw/zinc/00/21/21/563002121.db2.gz WVIZSLNWTBWTFE-IBGZPJMESA-N 0 2 434.429 2.059 1 0 IEAFLN CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[P@](=O)([O-])O ZINC000013734532 563002123 /nfs/dbraw/zinc/00/21/23/563002123.db2.gz WVIZSLNWTBWTFE-IBGZPJMESA-N 0 2 434.429 2.059 1 0 IEAFLN O=C([O-])[C@@H](CCCCn1c[nH+]c2c1NC=NC[C@H]2O)C(=O)NCc1ccc(Cl)cc1 ZINC000013807808 563008627 /nfs/dbraw/zinc/00/86/27/563008627.db2.gz CEZUBTIRYSPQFO-JKSUJKDBSA-N 0 2 433.896 2.211 1 0 IEAFLN C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c(=O)c(-c4nn[nH]n4)cn1c23 ZINC000043203722 563119562 /nfs/dbraw/zinc/11/95/62/563119562.db2.gz OGYDWTUATDVJEG-NSHDSACASA-N 0 2 436.451 2.296 1 0 IEAFLN Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4cnc5ccccc5n4)CC3)cc21 ZINC000049576919 563138958 /nfs/dbraw/zinc/13/89/58/563138958.db2.gz UVWHZQJYSHVHJG-UHFFFAOYSA-N 0 2 430.468 2.089 1 0 IEAFLN O=C(NCc1ccc(F)cc1)c1nc2c3ccc(N4CCOCC4)cc3on2c(=O)c1O ZINC000064548930 563155566 /nfs/dbraw/zinc/15/55/66/563155566.db2.gz NPBGLLZHVMYZEW-UHFFFAOYSA-N 0 2 438.415 2.052 1 0 IEAFLN CC[C@@]1(N2C(=O)c3c(c(F)c(F)c(F)c3F)C2=O)C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000003989435 132268579 /nfs/dbraw/zinc/26/85/79/132268579.db2.gz VEOGKKIBNYROKA-HXUWFJFHSA-N 0 2 449.316 2.271 1 0 IEAFLN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C[C@@H]2CCCO2)c3=O)CC1 ZINC000008659886 562960277 /nfs/dbraw/zinc/96/02/77/562960277.db2.gz VXCGMIIJMWGVNH-HNNXBMFYSA-N 0 2 446.529 2.152 1 0 IEAFLN COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC000027708288 563045533 /nfs/dbraw/zinc/04/55/33/563045533.db2.gz ZQCPUKBNIDMQAR-OAHLLOKOSA-N 0 2 433.892 2.260 1 0 IEAFLN COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC000027708288 563045534 /nfs/dbraw/zinc/04/55/34/563045534.db2.gz ZQCPUKBNIDMQAR-OAHLLOKOSA-N 0 2 433.892 2.260 1 0 IEAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)O[C@H](C)OC(C)=O)CC3)cc21 ZINC000027889171 563047985 /nfs/dbraw/zinc/04/79/85/563047985.db2.gz CBVLYNWYKXAQDU-CYBMUJFWSA-N 0 2 449.435 2.026 1 0 IEAFLN CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3cc4cc(Cl)ccc4s3)[C@H]2SC1 ZINC000029559374 563082328 /nfs/dbraw/zinc/08/23/28/563082328.db2.gz IWVLHDMJLRWKLA-GDZNZVCISA-N 0 2 437.930 2.313 1 0 IEAFLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000028604284 563059676 /nfs/dbraw/zinc/05/96/76/563059676.db2.gz IFUZFWPUVIVQDR-VXKWHMMOSA-N 0 2 446.507 2.348 1 0 IEAFLN Cc1cc(COc2ccc(S(=O)(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1 ZINC000028708253 563062259 /nfs/dbraw/zinc/06/22/59/563062259.db2.gz GQLPTZZPKXZFQR-UHFFFAOYSA-N 0 2 425.470 2.012 1 0 IEAFLN C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3N2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000029313039 563077590 /nfs/dbraw/zinc/07/75/90/563077590.db2.gz YGILBIXGAHSGPX-QYWNIODHSA-N 0 2 440.450 2.423 1 0 IEAFLN C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3N2C[C@H]2c2ccc(F)cc2)CC1 ZINC000029313046 563077606 /nfs/dbraw/zinc/07/76/06/563077606.db2.gz YGILBIXGAHSGPX-TYKNXJODSA-N 0 2 440.450 2.423 1 0 IEAFLN O=c1[nH]/c(=C\c2ccc(OCCCc3cccnc3)cc2)c(=O)[nH]/c1=C\c1ccccc1 ZINC000013817055 563009431 /nfs/dbraw/zinc/00/94/31/563009431.db2.gz XBDXMQVPUVWOOK-KHFFFTKUSA-N 0 2 425.488 2.127 1 0 IEAFLN CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl ZINC000026021273 563028665 /nfs/dbraw/zinc/02/86/65/563028665.db2.gz ZDCIBDBQJUKNBR-UHFFFAOYSA-N 0 2 441.296 2.048 1 0 IEAFLN O=C(O)c1cn2c3c(cc(N4CCN(C(=O)C(F)(F)F)CC4)cc3c1=O)SCC2 ZINC000027524879 563043206 /nfs/dbraw/zinc/04/32/06/563043206.db2.gz ZOABSWUTZJXIDT-UHFFFAOYSA-N 0 2 427.404 2.016 1 0 IEAFLN O=C(O)c1cn2c3c(cc(F)c(N4CCN(C(=O)C(F)(F)F)CC4)c3SCC2)c1=O ZINC000027526297 563043256 /nfs/dbraw/zinc/04/32/56/563043256.db2.gz ZVWVWTLGIJAIGE-UHFFFAOYSA-N 0 2 445.394 2.155 1 0 IEAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)O[C@@H](C)OC(C)=O)CC3)cc21 ZINC000027889164 563047987 /nfs/dbraw/zinc/04/79/87/563047987.db2.gz CBVLYNWYKXAQDU-ZDUSSCGKSA-N 0 2 449.435 2.026 1 0 IEAFLN CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])c3cc4cc(Cl)ccc4s3)[C@H]2SC1 ZINC000029559381 563082322 /nfs/dbraw/zinc/08/23/22/563082322.db2.gz IWVLHDMJLRWKLA-OGHNNQOOSA-N 0 2 437.930 2.313 1 0 IEAFLN CC(C)=CCc1c(O)n(Cc2ccc(F)cc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168915 563085642 /nfs/dbraw/zinc/08/56/42/563085642.db2.gz FBBFWQRKAYLJAK-UHFFFAOYSA-N 0 2 425.464 2.377 1 0 IEAFLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2c[nH]c[nH+]2)c1 ZINC000035323650 563089797 /nfs/dbraw/zinc/08/97/97/563089797.db2.gz OCCJYRVCPHFRFL-VXKWHMMOSA-N 0 2 446.507 2.417 1 0 IEAFLN O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073277535 563171770 /nfs/dbraw/zinc/17/17/70/563171770.db2.gz OZAZBQXCYMGZDD-INIZCTEOSA-N 0 2 431.448 2.425 1 0 IEAFLN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 ZINC000073277535 563171771 /nfs/dbraw/zinc/17/17/71/563171771.db2.gz OZAZBQXCYMGZDD-INIZCTEOSA-N 0 2 431.448 2.425 1 0 IEAFLN COc1ccc(-c2cc(O)c3c(=O)c([C@H]4C[C@@H](O)[C@H](O)[C@H](C)O4)c(O)cc-3o2)cc1O ZINC000040873270 291334885 /nfs/dbraw/zinc/33/48/85/291334885.db2.gz VOXHZFGNVVKUEG-NRGAKEJDSA-N 0 2 430.409 2.157 1 0 biogenic,in-vitro IEAFLN Cn1cnnc1SC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000028819206 563065144 /nfs/dbraw/zinc/06/51/44/563065144.db2.gz MIWNTTHRICBSRI-UHFFFAOYSA-N 0 2 433.440 2.422 1 0 IEAFLN CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])c3cc4cc(Cl)ccc4s3)[C@@H]2SC1 ZINC000029559377 563082333 /nfs/dbraw/zinc/08/23/33/563082333.db2.gz IWVLHDMJLRWKLA-AHIWAGSCSA-N 0 2 437.930 2.313 1 0 IEAFLN O=C(CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000040575455 563105224 /nfs/dbraw/zinc/10/52/24/563105224.db2.gz VPYQHUUBNONLQI-UVLALUNPSA-N 0 2 445.564 2.350 1 0 IEAFLN O=C(CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000040575455 563105225 /nfs/dbraw/zinc/10/52/25/563105225.db2.gz VPYQHUUBNONLQI-UVLALUNPSA-N 0 2 445.564 2.350 1 0 IEAFLN C[C@@H](O)c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 ZINC000049068108 563137469 /nfs/dbraw/zinc/13/74/69/563137469.db2.gz MEENAQZEWNMRAH-LLVKDONJSA-N 0 2 442.451 2.055 1 0 IEAFLN CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C[C@H]2CCCO2)c3=O)CC1 ZINC000008659887 562960289 /nfs/dbraw/zinc/96/02/89/562960289.db2.gz VXCGMIIJMWGVNH-OAHLLOKOSA-N 0 2 446.529 2.152 1 0 IEAFLN C[C@H]1COc2c(N3CCN(C(=O)c4ccco4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c32 ZINC000029128334 563075116 /nfs/dbraw/zinc/07/51/16/563075116.db2.gz MPQYEOKPXPVCDR-LBPRGKRZSA-N 0 2 441.415 2.348 1 0 IEAFLN C[C@H]1O[C@@H](n2cc(F)c(NC(=O)Oc3ccc(Cl)cc3)nc2=O)[C@@H]2OC(=O)O[C@H]12 ZINC000084670107 563175111 /nfs/dbraw/zinc/17/51/11/563175111.db2.gz SSWLKKAKXQEFRI-UBPLGANQSA-N 0 2 425.756 2.468 1 0 IEAFLN O=C([O-])[C@@H](CCCCn1c[nH+]c2c1NC=NC[C@@H]2O)C(=O)NCc1ccc(Cl)cc1 ZINC000013807810 563008578 /nfs/dbraw/zinc/00/85/78/563008578.db2.gz CEZUBTIRYSPQFO-HOTGVXAUSA-N 0 2 433.896 2.211 1 0 IEAFLN O=C([O-])[C@H](CCCCn1c[nH+]c2c1NC=NC[C@@H]2O)C(=O)NCc1ccc(Cl)cc1 ZINC000013807806 563008630 /nfs/dbraw/zinc/00/86/30/563008630.db2.gz CEZUBTIRYSPQFO-CVEARBPZSA-N 0 2 433.896 2.211 1 0 IEAFLN COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC000027708291 563045573 /nfs/dbraw/zinc/04/55/73/563045573.db2.gz ZQCPUKBNIDMQAR-HNNXBMFYSA-N 0 2 433.892 2.260 1 0 IEAFLN COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC000027708291 563045575 /nfs/dbraw/zinc/04/55/75/563045575.db2.gz ZQCPUKBNIDMQAR-HNNXBMFYSA-N 0 2 433.892 2.260 1 0 IEAFLN CCOCCC1(Oc2ccc(Oc3ccc(C(N)=O)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000028975612 563071422 /nfs/dbraw/zinc/07/14/22/563071422.db2.gz WBCJYTQOPPAPOU-UHFFFAOYSA-N 0 2 427.413 2.328 1 0 IEAFLN CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3cc4cc(Cl)ccc4s3)[C@@H]2SC1 ZINC000029559370 563082291 /nfs/dbraw/zinc/08/22/91/563082291.db2.gz IWVLHDMJLRWKLA-DCGLDWPTSA-N 0 2 437.930 2.313 1 0 IEAFLN CC[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CC[N@H+](CC(=O)c4ccccc4)C3)S[C@H]12 ZINC000026247653 563029990 /nfs/dbraw/zinc/02/99/90/563029990.db2.gz RLWLWORYFZGMQS-QHHYFVSCSA-N 0 2 448.566 2.233 1 0 IEAFLN CC[C@H](O)[C@@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3CC[N@@H+](CC(=O)c4ccccc4)C3)S[C@H]12 ZINC000026247653 563029991 /nfs/dbraw/zinc/02/99/91/563029991.db2.gz RLWLWORYFZGMQS-QHHYFVSCSA-N 0 2 448.566 2.233 1 0 IEAFLN COc1c(N2CC[NH+](C)CC2)c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(O)cc3)c21 ZINC000028456848 563054754 /nfs/dbraw/zinc/05/47/54/563054754.db2.gz BGERUPJMWXMVEG-UHFFFAOYSA-N 0 2 427.432 2.294 1 0 IEAFLN NC1=[NH+]C2(CCCCC2)N(OCCCCCCN2C(=O)c3ccccc3C2=O)C(=[NH2+])N1 ZINC000045324564 563130915 /nfs/dbraw/zinc/13/09/15/563130915.db2.gz MQUBOQDNXIMZSS-UHFFFAOYSA-N 0 2 426.521 2.380 1 0 IEAFLN C[C@@H]1C(=O)N(Cc2ccc(OCC[NH+]3CCOCC3)cc2)[C@]1(Cc1ccccc1)C(=O)[O-] ZINC000072118221 563163742 /nfs/dbraw/zinc/16/37/42/563163742.db2.gz INQONUZORXTJKZ-CLOONOSVSA-N 0 2 438.524 2.442 1 0 IEAFLN CCOC(=O)c1sc([N-]c2nc(NCc3ccc(S(N)(=O)=O)cc3)cc[nH+]2)nc1C ZINC000040404772 563101199 /nfs/dbraw/zinc/10/11/99/563101199.db2.gz FRQXJRYOEOHNKP-UHFFFAOYSA-N 0 2 448.530 2.421 1 0 IEAFLN O=c1cc(O)cc2oc(-c3ccc(OCCOCCOCCOCCO)cc3)cc(O)c1-2 ZINC000040575960 563105312 /nfs/dbraw/zinc/10/53/12/563105312.db2.gz ABXBXUMWMCFDDG-UHFFFAOYSA-N 0 2 446.452 2.292 1 0 IEAFLN O=c1cc(-c2ccc(OCCOCCOCCOCCO)cc2)oc2cc(O)cc(O)c12 ZINC000040575960 563105313 /nfs/dbraw/zinc/10/53/13/563105313.db2.gz ABXBXUMWMCFDDG-UHFFFAOYSA-N 0 2 446.452 2.292 1 0 IEAFLN C[C@H](O)c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 ZINC000049068106 563137442 /nfs/dbraw/zinc/13/74/42/563137442.db2.gz MEENAQZEWNMRAH-NSHDSACASA-N 0 2 442.451 2.055 1 0 IEAFLN Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21 ZINC000000834173 562919313 /nfs/dbraw/zinc/91/93/13/562919313.db2.gz JUDIRDPSSBVSCK-UHFFFAOYSA-N 0 2 449.389 2.094 1 0 IEAFLN CN1C(=O)C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc32)N(C)C1=O ZINC000006733251 562948201 /nfs/dbraw/zinc/94/82/01/562948201.db2.gz LGQWHMWVBRHRMJ-HNNXBMFYSA-N 0 2 437.431 2.360 1 0 IEAFLN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2Cl)c1 ZINC000026020311 563028657 /nfs/dbraw/zinc/02/86/57/563028657.db2.gz FRWGATSOUHKYBO-UHFFFAOYSA-N 0 2 427.269 2.337 1 0 IEAFLN C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc3c(c2)OCO3)CC1 ZINC000028771629 563064378 /nfs/dbraw/zinc/06/43/78/563064378.db2.gz IEOHIDQQDNWCFH-UHFFFAOYSA-N 0 2 425.416 2.309 1 0 IEAFLN O=C([O-])c1cn2c3c(cc(F)c(N4CCN(c5cccc[nH+]5)CC4)c3OC[C@@H]2CF)c1=O ZINC000013913142 563013925 /nfs/dbraw/zinc/01/39/25/563013925.db2.gz FASWMSDWHLSHQI-ZDUSSCGKSA-N 0 2 442.422 2.463 1 0 investigational IEAFLN Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2Cl)cc1Cl ZINC000026023841 563028779 /nfs/dbraw/zinc/02/87/79/563028779.db2.gz DDQDNPIUWCIXGR-UHFFFAOYSA-N 0 2 427.269 2.337 1 0 IEAFLN O=C([O-])[C@H](CCCCn1c[nH+]c2c1NC=NC[C@H]2O)C(=O)NCc1ccc(Cl)cc1 ZINC000013807803 563008614 /nfs/dbraw/zinc/00/86/14/563008614.db2.gz CEZUBTIRYSPQFO-HZPDHXFCSA-N 0 2 433.896 2.211 1 0 IEAFLN O=S(=O)(N[C@@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)C(F)(F)F ZINC000066258441 563160243 /nfs/dbraw/zinc/16/02/43/563160243.db2.gz JPWWDNPOUAOMQE-CYBMUJFWSA-N 0 2 443.369 2.349 1 0 IEAFLN O=S(=O)(N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)C(F)(F)F ZINC000066258440 563160256 /nfs/dbraw/zinc/16/02/56/563160256.db2.gz JPWWDNPOUAOMQE-ZDUSSCGKSA-N 0 2 443.369 2.349 1 0 IEAFLN O=C([O-])c1cn2c3c(cc(F)c(N4CCN(c5cccc[nH+]5)CC4)c3OC[C@H]2CF)c1=O ZINC000003920927 132268121 /nfs/dbraw/zinc/26/81/21/132268121.db2.gz FASWMSDWHLSHQI-CYBMUJFWSA-N 0 2 442.422 2.463 1 0 investigational IEAFLN CNC(=S)NS(=O)(=O)c1cccc(CCNC(=O)c2cc(Cl)ccc2OC)c1 ZINC000013558417 562993584 /nfs/dbraw/zinc/99/35/84/562993584.db2.gz WLWOAPVLFVXFPS-UHFFFAOYSA-N 0 2 441.962 2.104 1 0 IEAFLN CN1C(=O)C[C@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc32)N(C)C1=O ZINC000013978736 563014177 /nfs/dbraw/zinc/01/41/77/563014177.db2.gz LGQWHMWVBRHRMJ-OAHLLOKOSA-N 0 2 437.431 2.360 1 0 IEAFLN Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(C(F)F)c21 ZINC000027859079 563047459 /nfs/dbraw/zinc/04/74/59/563047459.db2.gz WKYKQELLARVFBY-UHFFFAOYSA-N 0 2 433.390 2.430 1 0 IEAFLN