smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000161032812 206324279 /nfs/dbraw/zinc/32/42/79/206324279.db2.gz ULVOTLGFLWUJLZ-GFCCVEGCSA-N -1 0 337.401 1.995 20 70 EDIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccn2)c1 ZINC000159592400 206253637 /nfs/dbraw/zinc/25/36/37/206253637.db2.gz FDFYIHGGVDNSJX-UHFFFAOYSA-N -1 0 340.426 1.984 20 70 EDIDRM CCc1ccc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1CC ZINC000160052561 206277111 /nfs/dbraw/zinc/27/71/11/206277111.db2.gz QSAJCLIPCIBEGZ-UHFFFAOYSA-N -1 0 336.417 1.294 20 70 EDIDRM Cn1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)nc1Cl ZINC000160471715 206299608 /nfs/dbraw/zinc/29/96/08/206299608.db2.gz GRZHTYLXHZLKNC-UHFFFAOYSA-N -1 0 329.741 1.663 20 70 EDIDRM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](CO)CC(C)C ZINC000160862934 206316348 /nfs/dbraw/zinc/31/63/48/206316348.db2.gz WKIBYTKDXXGQJN-GFCCVEGCSA-N -1 0 328.434 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O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1c(F)cc(F)cc1F ZINC000160692462 441911157 /nfs/dbraw/zinc/91/11/57/441911157.db2.gz IVZXBSSPAJPJAC-SNVBAGLBSA-N -1 0 339.335 1.170 20 70 EDIDRM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(C)=O)cn1 ZINC000159744661 540013873 /nfs/dbraw/zinc/01/38/73/540013873.db2.gz FGCOXBRLBIKACJ-UHFFFAOYSA-N -1 0 336.417 1.943 20 70 EDIDRM O=S(=O)([N-]C[C@H](O)COCC1CC1)c1c(F)cc(F)cc1F ZINC000160692331 441910555 /nfs/dbraw/zinc/91/05/55/441910555.db2.gz IVZXBSSPAJPJAC-JTQLQIEISA-N -1 0 339.335 1.170 20 70 EDIDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCC[C@H]1O ZINC000161197899 441971061 /nfs/dbraw/zinc/97/10/61/441971061.db2.gz XLRAIFUSACTRAL-ZIAGYGMSSA-N -1 0 326.418 1.482 20 70 EDIDRM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N[C@@H]1CCC[C@H]1O ZINC000161242759 441975999 /nfs/dbraw/zinc/97/59/99/441975999.db2.gz QUTIXXYZPUKGQR-VXGBXAGGSA-N -1 0 332.809 1.355 20 70 EDIDRM C[C@@H](CCO)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000161007864 441946584 /nfs/dbraw/zinc/94/65/84/441946584.db2.gz 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/nfs/dbraw/zinc/93/33/15/441933315.db2.gz YLCWFEMLWZCKAL-QMMMGPOBSA-N -1 0 328.217 1.420 20 70 EDIDRM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@H](CCO)C(C)C)c1 ZINC000160651257 539484010 /nfs/dbraw/zinc/48/40/10/539484010.db2.gz JCYCMQUQQVVPTO-CYBMUJFWSA-N -1 0 328.434 1.503 20 70 EDIDRM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](CO)CC(C)C ZINC000160738867 528819464 /nfs/dbraw/zinc/81/94/64/528819464.db2.gz UNSABOGTFLBBIK-CYBMUJFWSA-N -1 0 342.461 1.975 20 70 EDIDRM Cc1ccc(Br)c(C(=O)NCCCc2nc(=O)[n-][nH]2)c1 ZINC000159843314 225287703 /nfs/dbraw/zinc/28/77/03/225287703.db2.gz RRZORXLXYZTYJK-UHFFFAOYSA-N -1 0 339.193 1.532 20 70 EDIDRM Cc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)nn1C ZINC000161509646 442006626 /nfs/dbraw/zinc/00/66/26/442006626.db2.gz OQTVWICFEHOODE-UHFFFAOYSA-N -1 0 343.430 1.241 20 70 EDIDRM Cc1nn(C)c(Cl)c1/C=C/C(=O)[N-]S(=O)(=O)c1ccsc1 ZINC000159671240 318420089 /nfs/dbraw/zinc/42/00/89/318420089.db2.gz AIBGSIWTMNGSAC-ONEGZZNKSA-N -1 0 345.833 1.962 20 70 EDIDRM 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529170459 /nfs/dbraw/zinc/17/04/59/529170459.db2.gz FPRHOWUQPAKHSC-UHFFFAOYSA-N -1 0 340.426 1.984 20 70 EDIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000159748873 529170464 /nfs/dbraw/zinc/17/04/64/529170464.db2.gz UGHYGSZFIXCWSA-UHFFFAOYSA-N -1 0 330.387 1.577 20 70 EDIDRM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1noc2c1CCCCC2 ZINC000160918707 206318261 /nfs/dbraw/zinc/31/82/61/206318261.db2.gz BSMFCYMSHPBXSI-UHFFFAOYSA-N -1 0 346.387 1.843 20 70 EDIDRM N#Cc1cccnc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)F)c1 ZINC000460092649 269976175 /nfs/dbraw/zinc/97/61/75/269976175.db2.gz JWXWPYSJORWJFL-UHFFFAOYSA-N -1 0 341.345 1.412 20 70 EDIDRM CCCCN1C(=O)N=NC1S(=O)(=O)CCc1c(C)noc1C ZINC000160008191 441854825 /nfs/dbraw/zinc/85/48/25/441854825.db2.gz DRUFTBVNCSPEOR-UHFFFAOYSA-N -1 0 328.394 1.405 20 70 EDIDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1nccn(C2CC2)c1=O ZINC000160606065 441900504 /nfs/dbraw/zinc/90/05/04/441900504.db2.gz NIHDTXIKIKCPCA-UHFFFAOYSA-N -1 0 329.385 1.513 20 70 EDIDRM 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