smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[N-]C1=NC(=O)/C(=C2/c3ccccc3N(C(C)=O)C2=O)S1 ZINC000017180986 275476964 /nfs/dbraw/zinc/47/69/64/275476964.db2.gz DJCDBKUJPRKORV-VAWYXSNFSA-N -1 3 329.337 1.056 50 10 EDCAHM CN(C)c1ccc(CNC(=O)CCc2n[n-]c(=S)[nH]c2=O)cc1 ZINC000010433386 441113916 /nfs/dbraw/zinc/11/39/16/441113916.db2.gz IAZOXPIFOFAXSN-UHFFFAOYSA-N -1 3 333.417 1.142 50 10 EDCAHM CN1N[C@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000019171825 441255764 /nfs/dbraw/zinc/25/57/64/441255764.db2.gz KJRVQVYKOJDMLE-BRWVUGGUSA-N -1 3 337.379 1.437 50 10 EDCAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1O ZINC000001006538 440835896 /nfs/dbraw/zinc/83/58/96/440835896.db2.gz TXQXPNNXZPYXQP-UHFFFAOYSA-N -1 3 337.353 1.988 50 10 EDCAHM CN(C)Cc1c([O-])c(C[NH+](C)C)c([O-])c2c3c(c(=O)oc12)CCC3 ZINC000020111241 202033285 /nfs/dbraw/zinc/03/32/85/202033285.db2.gz ZMQBGJVGCQADJC-UHFFFAOYSA-N -1 3 332.400 1.816 50 10 EDCAHM CCCS(=O)(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000095459880 441930185 /nfs/dbraw/zinc/93/01/85/441930185.db2.gz KVGGJOIRFDXMFB-UHFFFAOYSA-N -1 3 335.809 1.760 50 10 EDCAHM COc1ccc(N2CCN(C(=O)c3cccc4[n-]nnc43)CC2)cc1 ZINC000189542333 534010993 /nfs/dbraw/zinc/01/09/93/534010993.db2.gz UHGDBQZPZPWNHY-UHFFFAOYSA-N -1 3 337.383 1.929 50 10 EDCAHM COc1ccc(N2CCN(C(=O)c3cccc4nn[n-]c43)CC2)cc1 ZINC000189542333 534010998 /nfs/dbraw/zinc/01/09/98/534010998.db2.gz UHGDBQZPZPWNHY-UHFFFAOYSA-N -1 3 337.383 1.929 50 10 EDCAHM COc1ccc(N2CCN(C(=O)c3cccc4n[n-]nc43)CC2)cc1 ZINC000189542333 534011002 /nfs/dbraw/zinc/01/10/02/534011002.db2.gz UHGDBQZPZPWNHY-UHFFFAOYSA-N -1 3 337.383 1.929 50 10 EDCAHM CCCC[N@H+](C)Cc1c(-c2ccccc2[O-])[n-]n(C(N)=S)c1=O ZINC000261492004 443160900 /nfs/dbraw/zinc/16/09/00/443160900.db2.gz PBOKSAPMYFGZJS-LBPRGKRZSA-N -1 3 334.445 1.530 50 10 EDCAHM CCCC[N@@H+](C)Cc1c(-c2ccccc2[O-])[n-]n(C(N)=S)c1=O ZINC000261492004 443160905 /nfs/dbraw/zinc/16/09/05/443160905.db2.gz PBOKSAPMYFGZJS-LBPRGKRZSA-N -1 3 334.445 1.530 50 10 EDCAHM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNCCN(C)C)C2=O)c(C)c1 ZINC000100792519 301183127 /nfs/dbraw/zinc/18/31/27/301183127.db2.gz RVNGDTBDHXLVTP-GXDHUFHOSA-N -1 3 344.415 1.230 50 10 EDCAHM [O-]c1ccc(-c2ncccn2)cc1CN1CCN(c2ncccn2)CC1 ZINC000020916505 441266938 /nfs/dbraw/zinc/26/69/38/441266938.db2.gz PPYHVKOOIDPGDB-UHFFFAOYSA-N -1 3 348.410 1.961 50 10 EDCAHM CN1N[C@H](c2ccccc2[O-])[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000238901384 283260235 /nfs/dbraw/zinc/26/02/35/283260235.db2.gz LUAULCKNWSNUHE-XHSDSOJGSA-N -1 3 329.400 1.570 50 10 EDCAHM Cc1cc(C)cc(N2C(=O)C(=CNCCN(C)C)C(=O)[N-]C2=S)c1 ZINC000020463070 301225231 /nfs/dbraw/zinc/22/52/31/301225231.db2.gz BERIRGLHQHBCLY-UVTDQMKNSA-N -1 3 346.456 1.086 50 10 EDCAHM CN1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@H]1C(=O)[O-] ZINC000240936880 443205261 /nfs/dbraw/zinc/20/52/61/443205261.db2.gz SFHCLFGFYWSVPS-HNNXBMFYSA-N -1 3 347.415 1.085 50 10 EDCAHM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cccc(F)c1 ZINC000101467943 219128525 /nfs/dbraw/zinc/12/85/25/219128525.db2.gz GLGPLMMGQCXRKY-JGWKKKPCSA-N -1 3 337.376 1.527 50 10 EDCAHM Cc1ccc(C)c(N2C(=O)C(=CNCCN(C)C)C(=O)[N-]C2=S)c1 ZINC000020463808 441264782 /nfs/dbraw/zinc/26/47/82/441264782.db2.gz ALUDKYBZWHDYRH-RAXLEYEMSA-N -1 3 346.456 1.086 50 10 EDCAHM O=C(COC(=O)c1cc([O-])cs1)NC(=O)NCc1cccs1 ZINC000069738286 442024946 /nfs/dbraw/zinc/02/49/46/442024946.db2.gz KKYNCTMFDQWQAB-UHFFFAOYSA-N -1 3 340.382 1.698 50 10 EDCAHM CN1N[C@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000238900839 443198229 /nfs/dbraw/zinc/19/82/29/443198229.db2.gz KJRVQVYKOJDMLE-ZACQAIPSSA-N -1 3 337.379 1.437 50 10 EDCAHM COc1cc(C(=O)[N-]N2C(=O)CSC2=S)cc(OC)c1OC ZINC000001465590 440846141 /nfs/dbraw/zinc/84/61/41/440846141.db2.gz OLXWGYGMTVWZLR-UHFFFAOYSA-N -1 3 342.398 1.218 50 10 EDCAHM Cc1ncc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000071886004 441185012 /nfs/dbraw/zinc/18/50/12/441185012.db2.gz RTBDXBYVRPYBQQ-UHFFFAOYSA-N -1 3 341.414 1.459 50 10 EDCAHM CC1=NN(c2nc3ccccc3[n-]2)C(=O)C1=CNCCc1c[nH]cn1 ZINC000009972295 211137892 /nfs/dbraw/zinc/13/78/92/211137892.db2.gz AIMAJZRTBMINHV-LCYFTJDESA-N -1 3 335.371 1.725 50 10 EDCAHM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C)ccc1O ZINC000009422827 211082420 /nfs/dbraw/zinc/08/24/20/211082420.db2.gz IRIPQQUIJHENDB-FMNNIJNLSA-N -1 3 349.412 1.402 50 10 EDCAHM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNCCN1CCCCC1 ZINC000100758442 219106207 /nfs/dbraw/zinc/10/62/07/219106207.db2.gz GOOQRUBLUDRSQI-SQFISAMPSA-N -1 3 342.399 1.229 50 10 EDCAHM CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccccc3[O-])S2)CC1 ZINC000000133241 440801701 /nfs/dbraw/zinc/80/17/01/440801701.db2.gz KGIUTIANTQIKIP-UVTDQMKNSA-N -1 3 331.397 1.527 50 10 EDCAHM CCCCN1C(=O)[C@@H]2[C@H](c3ccccc3[O-])[NH2+][C@@](C)(C(=O)[O-])[C@H]2C1=O ZINC000245254838 243102050 /nfs/dbraw/zinc/10/20/50/243102050.db2.gz CKKSMJUTOODXSR-MOROJQBDSA-N -1 3 346.383 1.281 50 10 EDCAHM CCc1cc(N2CCC[C@@H](NC(=O)c3cccc(O)c3[O-])C2)ncn1 ZINC000193066545 240005060 /nfs/dbraw/zinc/00/50/60/240005060.db2.gz XGUOYSPEKJDPGX-CYBMUJFWSA-N -1 3 342.399 1.849 50 10 EDCAHM O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc([O-])c(O)c2)C1 ZINC000095997763 441975313 /nfs/dbraw/zinc/97/53/13/441975313.db2.gz JHISTYPAWHATEN-ZDUSSCGKSA-N -1 3 341.367 1.984 50 10 EDCAHM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C)ccc1O ZINC000103518909 219311406 /nfs/dbraw/zinc/31/14/06/219311406.db2.gz IRIPQQUIJHENDB-YFBAIUBQSA-N -1 3 349.412 1.402 50 10 EDCAHM CCOC(=O)C1CCN(Cc2cc(=O)oc3cc([O-])c(O)cc23)CC1 ZINC000002124851 440857650 /nfs/dbraw/zinc/85/76/50/440857650.db2.gz FNPBZHRYLQWPAM-UHFFFAOYSA-N -1 3 347.367 1.979 50 10 EDCAHM CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C(C)(C)C)ccc1[O-] ZINC000067490572 215154817 /nfs/dbraw/zinc/15/48/17/215154817.db2.gz HKFKNOAFUUWWME-AWEZNQCLSA-N -1 3 333.432 1.126 50 10 EDCAHM Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000193174171 257952027 /nfs/dbraw/zinc/95/20/27/257952027.db2.gz BKIVLJBMRDMDRD-OAHLLOKOSA-N -1 3 344.342 1.859 50 10 EDCAHM CC(C)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000217624805 241262401 /nfs/dbraw/zinc/26/24/01/241262401.db2.gz FWXFFGWGMHQQTN-MMQJMDILSA-N -1 3 346.383 1.137 50 10 EDCAHM CC(C)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000248159643 442884732 /nfs/dbraw/zinc/88/47/32/442884732.db2.gz FWXFFGWGMHQQTN-FLTUCWPJSA-N -1 3 346.383 1.137 50 10 EDCAHM CCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[n-]c1=O ZINC000013119475 441153091 /nfs/dbraw/zinc/15/30/91/441153091.db2.gz DNPPCHVDKCYLGI-UHFFFAOYSA-N -1 3 328.416 1.976 50 10 EDCAHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NN2Cc3ccccc3C2)c1 ZINC000095444967 441928424 /nfs/dbraw/zinc/92/84/24/441928424.db2.gz FPBQSHKXKYAWQZ-UHFFFAOYSA-N -1 3 347.396 1.424 50 10 EDCAHM Cc1cc(=O)oc2c1ccc([O-])c2CN[C@]1(C)CCS(=O)(=O)C1 ZINC000009485094 441106228 /nfs/dbraw/zinc/10/62/28/441106228.db2.gz BEYQGYHNQVCZCN-MRXNPFEDSA-N -1 3 337.397 1.474 50 10 EDCAHM CC1=NN(c2nc3ccccc3[n-]2)C(=O)C1=CNCCc1c[nH]cn1 ZINC000101771980 204022612 /nfs/dbraw/zinc/02/26/12/204022612.db2.gz AIMAJZRTBMINHV-UKTHLTGXSA-N -1 3 335.371 1.725 50 10 EDCAHM CN1N[C@H](c2ccccc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000238900836 283260256 /nfs/dbraw/zinc/26/02/56/283260256.db2.gz KJRVQVYKOJDMLE-BBWFWOEESA-N -1 3 337.379 1.437 50 10 EDCAHM CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccccc3[O-])S2)CC1 ZINC000004812504 440927731 /nfs/dbraw/zinc/92/77/31/440927731.db2.gz KGIUTIANTQIKIP-GXDHUFHOSA-N -1 3 331.397 1.527 50 10 EDCAHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1NC(=O)[N-]C1=O ZINC000042816333 441789461 /nfs/dbraw/zinc/78/94/61/441789461.db2.gz PMJSXODFEKQVHH-OAHLLOKOSA-N -1 3 344.415 1.233 50 10 EDCAHM CC[C@H](C)N1C(=O)C(=CNNCCN(CC)CC)C(=O)[N-]C1=S ZINC000020358391 212122244 /nfs/dbraw/zinc/12/22/44/212122244.db2.gz JPVIHZOGKHRJOQ-OCUQMRJBSA-N -1 3 341.481 1.188 50 10 EDCAHM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CNCCN1CCCCC1 ZINC000020023466 212094551 /nfs/dbraw/zinc/09/45/51/212094551.db2.gz UQNZHMTXXVCVHC-FYWRMAATSA-N -1 3 348.447 1.357 50 10 EDCAHM COc1cc(Br)cc(CN2CCN(C=O)CC2)c1[O-] ZINC000019634335 212052997 /nfs/dbraw/zinc/05/29/97/212052997.db2.gz SGZZNFAROUUEIP-UHFFFAOYSA-N -1 3 329.194 1.437 50 10 EDCAHM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1[O-] ZINC000000484814 209630379 /nfs/dbraw/zinc/63/03/79/209630379.db2.gz DWOHHYWRHYMNNZ-LLVKDONJSA-N -1 3 341.161 1.956 50 10 EDCAHM Cn1cccc1/C=C1/SC(=S)N([N-]C(=O)c2cccnc2)C1=O ZINC000027229676 441397251 /nfs/dbraw/zinc/39/72/51/441397251.db2.gz PBDRDPPQOGLVDK-XYOKQWHBSA-N -1 3 344.421 1.966 50 10 EDCAHM O=S1(=O)CCN(C2CCN(Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000190989448 443220983 /nfs/dbraw/zinc/22/09/83/443220983.db2.gz MJMKLEZIRUCGBM-UHFFFAOYSA-N -1 3 342.436 1.226 50 10 EDCAHM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C)ccc1O ZINC000103518911 219311265 /nfs/dbraw/zinc/31/12/65/219311265.db2.gz IRIPQQUIJHENDB-OEMOTLHWSA-N -1 3 349.412 1.402 50 10 EDCAHM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNCCN(C)C)C2=O)c(C)c1 ZINC000020024627 301183239 /nfs/dbraw/zinc/18/32/39/301183239.db2.gz RVNGDTBDHXLVTP-UVTDQMKNSA-N -1 3 344.415 1.230 50 10 EDCAHM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CNCCN(C)C)C2=O)cc1 ZINC000019996855 441262336 /nfs/dbraw/zinc/26/23/36/441262336.db2.gz AKWDWLKYRIHCRS-PTNGSMBKSA-N -1 3 344.415 1.428 50 10 EDCAHM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(C)ccc1O ZINC000009422828 211082935 /nfs/dbraw/zinc/08/29/35/211082935.db2.gz IRIPQQUIJHENDB-OXBCTQFSSA-N -1 3 349.412 1.402 50 10 EDCAHM Cc1cc(/C=C\C(=O)[N-]OCC(N)=O)c(C)n1-c1ccc(C)cc1 ZINC000222184691 443074488 /nfs/dbraw/zinc/07/44/88/443074488.db2.gz XRMAVXDLDOQBDF-TWGQIWQCSA-N -1 3 327.384 1.949 50 10 EDCAHM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2n(C)c1=O ZINC000000814666 440833840 /nfs/dbraw/zinc/83/38/40/440833840.db2.gz ZTFAKJJLSRFEBX-UHFFFAOYSA-N -1 3 333.369 1.383 50 10 EDCAHM CN1N[C@H](c2ccccc2[O-])[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000238901383 443198259 /nfs/dbraw/zinc/19/82/59/443198259.db2.gz LUAULCKNWSNUHE-OAGGEKHMSA-N -1 3 329.400 1.570 50 10 EDCAHM Cc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)c([O-])c1 ZINC000031421340 491004602 /nfs/dbraw/zinc/00/46/02/491004602.db2.gz ORTWXTOCVULPQH-UHFFFAOYSA-N -1 3 339.395 1.567 50 10 EDCAHM O=C(NCCn1ncc2ccccc2c1=O)c1cccc(O)c1[O-] ZINC000040818833 213390038 /nfs/dbraw/zinc/39/00/38/213390038.db2.gz ZWWKXGYPTIBINC-UHFFFAOYSA-N -1 3 325.324 1.238 50 10 EDCAHM NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000032907221 441577569 /nfs/dbraw/zinc/57/75/69/441577569.db2.gz CTXWDQJCYIBKQM-HNNXBMFYSA-N -1 3 331.759 1.780 50 10 EDCAHM CS(=O)(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000019791356 212067276 /nfs/dbraw/zinc/06/72/76/212067276.db2.gz JFLLIVBVARUXSO-UHFFFAOYSA-N -1 3 349.250 1.232 50 10 EDCAHM COc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1[O-] ZINC000100289202 219096023 /nfs/dbraw/zinc/09/60/23/219096023.db2.gz PCSFHLHHPWUJQS-YWEYNIOJSA-N -1 3 343.202 1.851 50 10 EDCAHM Cn1cccc1/C=C1\SC(=S)N([N-]C(=O)c2cccnc2)C1=O ZINC000005501528 440956527 /nfs/dbraw/zinc/95/65/27/440956527.db2.gz PBDRDPPQOGLVDK-WQLSENKSSA-N -1 3 344.421 1.966 50 10 EDCAHM O=C(c1cccc(O)c1[O-])N1CCN(C(=O)c2ccccc2F)CC1 ZINC000408515149 447668906 /nfs/dbraw/zinc/66/89/06/447668906.db2.gz VKXVZKRCBZHNJX-UHFFFAOYSA-N -1 3 344.342 1.835 50 10 EDCAHM COc1ccc(N2N=C(C(=O)c3ccc(C)cc3)C([O-])(O)C2=O)cc1 ZINC000000084956 440796964 /nfs/dbraw/zinc/79/69/64/440796964.db2.gz OOGGMRKVJVFYDA-UHFFFAOYSA-N -1 3 340.335 1.270 50 10 EDCAHM COc1cc([O-])c2c(c1)O[C@H](O)[C@]1(Cc3cc4c(cc31)OCO4)C2=O ZINC000014692687 485905781 /nfs/dbraw/zinc/90/57/81/485905781.db2.gz HQNATRVFSYNBMS-ROUUACIJSA-N -1 3 342.303 1.517 50 10 EDCAHM Cc1cc(Cl)ccc1NC(=O)C(=O)[N-]N1C(=O)CSC1=S ZINC000048547453 441311381 /nfs/dbraw/zinc/31/13/81/441311381.db2.gz YFJFSGYEBCQIFB-UHFFFAOYSA-N -1 3 343.817 1.478 50 10 EDCAHM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[n-]nn1 ZINC000096431770 442128765 /nfs/dbraw/zinc/12/87/65/442128765.db2.gz CIRCOLQCSRWOLS-SNVBAGLBSA-N -1 3 337.330 1.805 50 10 EDCAHM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnn[n-]1 ZINC000096431770 442128767 /nfs/dbraw/zinc/12/87/67/442128767.db2.gz CIRCOLQCSRWOLS-SNVBAGLBSA-N -1 3 337.330 1.805 50 10 EDCAHM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cn[n-]n1 ZINC000096431770 442128769 /nfs/dbraw/zinc/12/87/69/442128769.db2.gz CIRCOLQCSRWOLS-SNVBAGLBSA-N -1 3 337.330 1.805 50 10 EDCAHM CN(C)C(=O)CN(Cc1cc2c(cc1[O-])OCO2)CC(F)(F)F ZINC000054492574 214241078 /nfs/dbraw/zinc/24/10/78/214241078.db2.gz HTWUVYNCERCJFU-UHFFFAOYSA-N -1 3 334.294 1.573 50 10 EDCAHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000042816338 441789016 /nfs/dbraw/zinc/78/90/16/441789016.db2.gz PMJSXODFEKQVHH-HNNXBMFYSA-N -1 3 344.415 1.233 50 10 EDCAHM CN1N[C@H](c2ccccc2[O-])[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000170621063 283260380 /nfs/dbraw/zinc/26/03/80/283260380.db2.gz KJRVQVYKOJDMLE-GVDBMIGSSA-N -1 3 337.379 1.437 50 10 EDCAHM COc1cc([O-])c2c(c1)O[C@@H](O)[C@]1(Cc3cc4c(cc31)OCO4)C2=O ZINC000014692691 286239231 /nfs/dbraw/zinc/23/92/31/286239231.db2.gz HQNATRVFSYNBMS-MSOLQXFVSA-N -1 3 342.303 1.517 50 10 EDCAHM CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccccc1[O-])[NH2+][C@@]2(C)C(=O)[O-] ZINC000019848802 441261357 /nfs/dbraw/zinc/26/13/57/441261357.db2.gz CKKSMJUTOODXSR-WZTLGTBRSA-N -1 3 346.383 1.281 50 10 EDCAHM Cc1c(C)c(=O)oc2c1ccc([O-])c2CN[C@@H]1CCS(=O)(=O)C1 ZINC000009303994 441104556 /nfs/dbraw/zinc/10/45/56/441104556.db2.gz ZPELSWQSGJLWTG-LLVKDONJSA-N -1 3 337.397 1.392 50 10 EDCAHM COC(=O)n1[n-]c(-c2ccccc2[O-])c(C[NH+]2CCCCC2)c1=O ZINC000038163103 441614852 /nfs/dbraw/zinc/61/48/52/441614852.db2.gz OHMWZVXWKJVTDR-CYBMUJFWSA-N -1 3 331.372 1.807 50 10 EDCAHM Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1cccc(O)c1[O-] ZINC000193174181 442720135 /nfs/dbraw/zinc/72/01/35/442720135.db2.gz BKIVLJBMRDMDRD-HNNXBMFYSA-N -1 3 344.342 1.859 50 10 EDCAHM [O-]c1c(CN2CCOCC2)cc(CN2CCOCC2)c2cccnc12 ZINC000019878916 202025734 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