smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])cc(CN2CCN(C)CC2)c1[O-] ZINC000019608797 356493314 /nfs/dbraw/zinc/49/33/14/356493314.db2.gz KBNBUMWBHVAHCL-UHFFFAOYSA-N -1 1 281.312 1.056 50 10 CDCAMM CNC(=O)c1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000095948421 351453896 /nfs/dbraw/zinc/45/38/96/351453896.db2.gz GZNSHHRRMREIQH-RMKNXTFCSA-N -1 1 278.358 1.535 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000000325153 355904341 /nfs/dbraw/zinc/90/43/41/355904341.db2.gz BKJTZBOKFVHOKF-UHFFFAOYSA-N -1 1 277.261 1.349 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000000325153 355904344 /nfs/dbraw/zinc/90/43/44/355904344.db2.gz BKJTZBOKFVHOKF-UHFFFAOYSA-N -1 1 277.261 1.349 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1[N+](=O)[O-] ZINC000000325153 355904346 /nfs/dbraw/zinc/90/43/46/355904346.db2.gz BKJTZBOKFVHOKF-UHFFFAOYSA-N -1 1 277.261 1.349 50 10 CDCAMM Cc1cc(=O)[n-]c(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000018163844 356468524 /nfs/dbraw/zinc/46/85/24/356468524.db2.gz GYSSMOSVLZXNJL-UHFFFAOYSA-N -1 1 292.316 1.465 50 10 biogenic CDCAMM CC1(C)OC(=O)C(=CNc2cccc(C(=O)[O-])c2)C(=O)O1 ZINC000100804554 281399053 /nfs/dbraw/zinc/39/90/53/281399053.db2.gz XHBNGNQWPGQHQH-UHFFFAOYSA-N -1 1 291.259 1.517 50 10 CDCAMM O=C1[N-]C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000003157608 355995339 /nfs/dbraw/zinc/99/53/39/355995339.db2.gz QCMSLEGYKUUIKJ-UHFFFAOYSA-N -1 1 285.086 1.743 50 10 CDCAMM O=C1[N-]C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000003157608 355995344 /nfs/dbraw/zinc/99/53/44/355995344.db2.gz QCMSLEGYKUUIKJ-UHFFFAOYSA-N -1 1 285.086 1.743 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cc2ccccc2[nH]c1=O ZINC000018206888 280387680 /nfs/dbraw/zinc/38/76/80/280387680.db2.gz SEEZKTOCLICXGJ-UHFFFAOYSA-N -1 1 299.311 1.283 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cc2ccccc2[nH]c1=O ZINC000018206888 280387682 /nfs/dbraw/zinc/38/76/82/280387682.db2.gz 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/nfs/dbraw/zinc/35/65/25/296356525.db2.gz SQYOZZVSVQWNJN-UHFFFAOYSA-N -1 1 285.086 1.743 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1c(F)cccc1Cl ZINC000000094284 296359307 /nfs/dbraw/zinc/35/93/07/296359307.db2.gz UIVRPWKHFUBICJ-UHFFFAOYSA-N -1 1 284.699 1.393 50 10 CDCAMM O=C1[N-]C(=S)NC1=Cc1ccc(N2CCCC2)c(F)c1 ZINC000013511108 357113568 /nfs/dbraw/zinc/11/35/68/357113568.db2.gz WGZOIRWRWYEZIR-FLIBITNWSA-N -1 1 291.351 1.771 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccc2ccccc12 ZINC000000068421 280281517 /nfs/dbraw/zinc/28/15/17/280281517.db2.gz QPTGWITYTSXRJB-UHFFFAOYSA-N -1 1 282.324 1.754 50 10 CDCAMM O=C(CSc1nccc(=O)[n-]1)c1ccc(O)c(O)c1 ZINC000016052660 356430545 /nfs/dbraw/zinc/43/05/45/356430545.db2.gz UXKASPYNPHMQQJ-UHFFFAOYSA-N -1 1 278.289 1.156 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Cl)cc1 ZINC000006460093 170202777 /nfs/dbraw/zinc/20/27/77/170202777.db2.gz OHKMMSLPLRVBDV-UHFFFAOYSA-N -1 1 281.724 1.167 50 10 CDCAMM Cc1cccc2c1NC(=O)C2=C1SC(=S)[N-]C1=O ZINC000100110372 281281390 /nfs/dbraw/zinc/28/13/90/281281390.db2.gz YKPCAIZGCTXESO-CLFYSBASSA-N -1 1 276.342 1.806 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc([N+](=O)[O-])s1 ZINC000002160944 355962251 /nfs/dbraw/zinc/96/22/51/355962251.db2.gz XIDGHCYMXVCMSS-UHFFFAOYSA-N -1 1 283.290 1.411 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc([N+](=O)[O-])s1 ZINC000002160944 355962255 /nfs/dbraw/zinc/96/22/55/355962255.db2.gz XIDGHCYMXVCMSS-UHFFFAOYSA-N -1 1 283.290 1.411 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000002160944 355962259 /nfs/dbraw/zinc/96/22/59/355962259.db2.gz XIDGHCYMXVCMSS-UHFFFAOYSA-N -1 1 283.290 1.411 50 10 CDCAMM COC(=O)c1cc(C=C2SC(=S)[N-]C2=O)oc1C ZINC000019833122 356508976 /nfs/dbraw/zinc/50/89/76/356508976.db2.gz DRSGNIYOYVRSRT-XBXARRHUSA-N -1 1 283.330 1.863 50 10 CDCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(O)c1O ZINC000007007313 745854035 /nfs/dbraw/zinc/85/40/35/745854035.db2.gz BXIDOGUTFBMBHL-YWEYNIOJSA-N -1 1 283.330 1.595 50 10 CDCAMM Cc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)c(C)c1 ZINC000006694284 170226813 /nfs/dbraw/zinc/22/68/13/170226813.db2.gz XSVAIIADMFWQOW-UHFFFAOYSA-N -1 1 275.333 1.130 50 10 CDCAMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Cl ZINC000000105204 277408315 /nfs/dbraw/zinc/40/83/15/277408315.db2.gz AQGPREGLAMOAAP-UHFFFAOYSA-N -1 1 296.735 1.263 50 10 CDCAMM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000006621969 391861795 /nfs/dbraw/zinc/86/17/95/391861795.db2.gz SUDFRUHZEGJMMD-UHFFFAOYSA-N -1 1 275.333 1.130 50 10 CDCAMM CCCN1C(=O)C(=CNc2cccnc2)C(=O)[N-]C1=S ZINC000105490258 755234758 /nfs/dbraw/zinc/23/47/58/755234758.db2.gz USPXDWXUUUCKRE-CSKARUKUSA-N -1 1 290.348 1.031 50 10 CDCAMM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=S)N(C)C2=O)c1 ZINC000006493750 356076409 /nfs/dbraw/zinc/07/64/09/356076409.db2.gz FWDHFVLBECCPKY-YFHOEESVSA-N -1 1 289.360 1.472 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc2ccccc2c1 ZINC000015015650 284867863 /nfs/dbraw/zinc/86/78/63/284867863.db2.gz IVWPMTKYNAMWGL-UHFFFAOYSA-N -1 1 282.324 1.754 50 10 CDCAMM O=C1[N-]C(=O)/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1 ZINC000002949488 375378383 /nfs/dbraw/zinc/37/83/83/375378383.db2.gz NMWKASDAVXARFG-UHFFFAOYSA-N -1 1 284.193 1.455 50 10 CDCAMM O=C1[N-]C(=O)/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1 ZINC000002949488 375378388 /nfs/dbraw/zinc/37/83/88/375378388.db2.gz NMWKASDAVXARFG-UHFFFAOYSA-N -1 1 284.193 1.455 50 10 CDCAMM CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(N(C)C)cc1 ZINC000012412735 390203054 /nfs/dbraw/zinc/20/30/54/390203054.db2.gz WKTYMGPGFMGXGG-WQLSENKSSA-N -1 1 297.322 1.072 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=CC=Cc1ccccc1 ZINC000000136832 280281352 /nfs/dbraw/zinc/28/13/52/280281352.db2.gz JGXUXEILGGWPJR-QPJJXVBHSA-N -1 1 258.302 1.157 50 10 CDCAMM O=C1[N-]C(=S)S/C1=C/c1ccc(O)cc1O ZINC000003130448 364714094 /nfs/dbraw/zinc/71/40/94/364714094.db2.gz GZGFGVYXIOPNPH-FPYGCLRLSA-N -1 1 253.304 1.587 50 10 CDCAMM N=c1sccn1CC(=O)c1ccc([O-])c(O)c1 ZINC000028294650 375239603 /nfs/dbraw/zinc/23/96/03/375239603.db2.gz OXFNKHDBZMTOCB-UHFFFAOYSA-N -1 1 250.279 1.323 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=CNc1cccc2ccccc21 ZINC000005596035 170117585 /nfs/dbraw/zinc/11/75/85/170117585.db2.gz TZOYROHHOSAJAM-UHFFFAOYSA-N -1 1 297.339 1.667 50 10 CDCAMM O=C1[N-]C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1 ZINC000002897820 355987566 /nfs/dbraw/zinc/98/75/66/355987566.db2.gz XJKIXQOQSRHFNM-UHFFFAOYSA-N -1 1 295.638 1.838 50 10 CDCAMM O=C1[N-]C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1 ZINC000002897820 355987569 /nfs/dbraw/zinc/98/75/69/355987569.db2.gz XJKIXQOQSRHFNM-UHFFFAOYSA-N -1 1 295.638 1.838 50 10 CDCAMM COc1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1 ZINC000016956709 356449666 /nfs/dbraw/zinc/44/96/66/356449666.db2.gz ZTXJEYAMFKSOIY-UHFFFAOYSA-N -1 1 262.290 1.450 50 10 CDCAMM COc1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1 ZINC000016956709 356449667 /nfs/dbraw/zinc/44/96/67/356449667.db2.gz ZTXJEYAMFKSOIY-UHFFFAOYSA-N -1 1 262.290 1.450 50 10 CDCAMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000016956709 356449669 /nfs/dbraw/zinc/44/96/69/356449669.db2.gz 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/nfs/dbraw/zinc/40/14/35/369401435.db2.gz RENUCHRPOFBGRK-DTORHVGOSA-N -1 1 281.316 1.694 50 10 CDCAMM NC(=O)[N-]N1C(=O)C(=Cc2ccco2)SC1=S ZINC000001510799 373159611 /nfs/dbraw/zinc/15/96/11/373159611.db2.gz XPJBXLHLJAXWLR-XQRVVYSFSA-N -1 1 269.307 1.064 50 10 CDCAMM COc1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(OC)c1 ZINC000001093072 355929203 /nfs/dbraw/zinc/92/92/03/355929203.db2.gz HQLAZOBKMRPIQP-UHFFFAOYSA-N -1 1 292.316 1.458 50 10 CDCAMM COc1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(OC)c1 ZINC000001093072 355929206 /nfs/dbraw/zinc/92/92/06/355929206.db2.gz HQLAZOBKMRPIQP-UHFFFAOYSA-N -1 1 292.316 1.458 50 10 CDCAMM COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)c(OC)c1 ZINC000001093072 355929210 /nfs/dbraw/zinc/92/92/10/355929210.db2.gz HQLAZOBKMRPIQP-UHFFFAOYSA-N -1 1 292.316 1.458 50 10 CDCAMM CCCCCCNC=C1C(=O)[N-]C(=S)N(C2CC2)C1=O ZINC000002233593 373097024 /nfs/dbraw/zinc/09/70/24/373097024.db2.gz FQWSYXHQRARYIP-PKNBQFBNSA-N -1 1 295.408 1.446 50 10 CDCAMM COc1cc(C=C2SC(=S)[N-]C2=O)cc2c1OCO2 ZINC000007155238 286190395 /nfs/dbraw/zinc/19/03/95/286190395.db2.gz TWOBWLWYEMMHSV-WTKPLQERSA-N -1 1 295.341 1.913 50 10 CDCAMM CN1C(=O)C(=Cc2nc3ccccc3[nH]2)C(=O)[N-]C1=S ZINC000006785848 277005757 /nfs/dbraw/zinc/00/57/57/277005757.db2.gz USYACNZTPMRVBM-SREVYHEPSA-N -1 1 286.316 1.231 50 10 CDCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1C ZINC000033911208 291631285 /nfs/dbraw/zinc/63/12/85/291631285.db2.gz AATVNHRFKKDHFE-POHAHGRESA-N -1 1 277.349 1.739 50 10 CDCAMM O=C1[N-]C(=O)/C(=C/c2ccc(OC(F)F)cc2)C(=O)N1 ZINC000003170398 375574927 /nfs/dbraw/zinc/57/49/27/375574927.db2.gz UEAIWLAECYPZIV-UHFFFAOYSA-N -1 1 282.202 1.037 50 10 CDCAMM O=C1[N-]C(=O)/C(=C\c2ccc(OC(F)F)cc2)C(=O)N1 ZINC000003170398 375574932 /nfs/dbraw/zinc/57/49/32/375574932.db2.gz UEAIWLAECYPZIV-UHFFFAOYSA-N -1 1 282.202 1.037 50 10 CDCAMM Cc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1Cl ZINC000017120784 356454752 /nfs/dbraw/zinc/45/47/52/356454752.db2.gz SCSQKGNUSAIFAH-UHFFFAOYSA-N -1 1 295.751 1.475 50 10 CDCAMM 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50 10 CDCAMM Cc1cccc(C)c1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000040476888 292442017 /nfs/dbraw/zinc/44/20/17/292442017.db2.gz JANUOVPBCBDUTD-UHFFFAOYSA-N -1 1 275.333 1.130 50 10 CDCAMM CCN(CC)c1ccc(/C=C2/NC(=S)[N-]C2=O)cc1 ZINC000000187905 355894453 /nfs/dbraw/zinc/89/44/53/355894453.db2.gz RHTNYOJDJNSDCD-FMIVXFBMSA-N -1 1 275.377 1.878 50 10 CDCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NC1CC1 ZINC000005346045 170088202 /nfs/dbraw/zinc/08/82/02/170088202.db2.gz BYAARQQNXRDDFD-UHFFFAOYSA-N -1 1 289.287 1.334 50 10 CDCAMM Cn1cnnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000004492050 356032958 /nfs/dbraw/zinc/03/29/58/356032958.db2.gz RNNHFMFZRVGMNL-UHFFFAOYSA-N -1 1 265.294 1.201 50 10 CDCAMM CCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c1C ZINC000016264755 356435241 /nfs/dbraw/zinc/43/52/41/356435241.db2.gz DJHLXJKVHRZLFE-YRNVUSSQSA-N -1 1 291.376 1.381 50 10 CDCAMM CN1CCC/C1=C\C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000039948103 356979135 /nfs/dbraw/zinc/97/91/35/356979135.db2.gz XRPBPDKTWVNSMF-KBXRYBNXSA-N -1 1 298.389 1.425 50 10 CDCAMM CCOC(=O)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000031274225 359156931 /nfs/dbraw/zinc/15/69/31/359156931.db2.gz LHTGLKDOIOFXHF-UHFFFAOYSA-N -1 1 265.309 1.401 50 10 CDCAMM N#[N+]C1=C([O-])C[C@@H](S(=O)(=O)[O-])c2ccccc21 ZINC000096327951 358732567 /nfs/dbraw/zinc/73/25/67/358732567.db2.gz CNLRDNVSYNQLOP-SECBINFHSA-N -1 1 252.251 1.090 50 10 CDCAMM CC(NCc1ccco1)=C1SC(=S)[N-]C1=O ZINC000105210921 398003131 /nfs/dbraw/zinc/00/31/31/398003131.db2.gz BETSOSMFWNRGKZ-VURMDHGXSA-N -1 1 254.336 1.749 50 10 CDCAMM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)NC1=O ZINC000017042647 356453164 /nfs/dbraw/zinc/45/31/64/356453164.db2.gz YGMQQXPNEWVUFV-UHFFFAOYSA-N -1 1 252.320 1.811 50 10 CDCAMM Cc1ccsc1/C=C1/C(=O)[N-]C(=S)NC1=O ZINC000017042647 356453169 /nfs/dbraw/zinc/45/31/69/356453169.db2.gz YGMQQXPNEWVUFV-UHFFFAOYSA-N -1 1 252.320 1.811 50 10 CDCAMM Cc1ccsc1C=C1C(=O)[N-]C(=S)NC1=O ZINC000017042647 356453174 /nfs/dbraw/zinc/45/31/74/356453174.db2.gz YGMQQXPNEWVUFV-UHFFFAOYSA-N -1 1 252.320 1.811 50 10 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CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)NC1=O ZINC000002898101 355987582 /nfs/dbraw/zinc/98/75/82/355987582.db2.gz KEEFIMLMVVPNFZ-UHFFFAOYSA-N -1 1 294.694 1.488 50 10 CDCAMM CN1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000019635138 356494428 /nfs/dbraw/zinc/49/44/28/356494428.db2.gz OQTJVMVMZPOGRU-UHFFFAOYSA-N -1 1 251.286 1.048 50 10 CDCAMM CCN1C(=O)C(=CNC2CCCCCC2)C(=O)[N-]C1=S ZINC000005817801 170143707 /nfs/dbraw/zinc/14/37/07/170143707.db2.gz YNEJGLZEDVSMOF-PKNBQFBNSA-N -1 1 295.408 1.446 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccccc1Cl ZINC000005887142 170150417 /nfs/dbraw/zinc/15/04/17/170150417.db2.gz FWIZKLJYZXMGLK-UHFFFAOYSA-N -1 1 281.724 1.167 50 10 CDCAMM Cc1ccnc(NC=C2SC(=S)[N-]C2=O)c1 ZINC000103839907 397915544 /nfs/dbraw/zinc/91/55/44/397915544.db2.gz FTZRPAJOKJQNMW-ALCCZGGFSA-N -1 1 251.336 1.791 50 10 CDCAMM CNC(=O)c1[nH]cnc1NN=C1C=CC([O-])=CC1=O ZINC000004817969 170022721 /nfs/dbraw/zinc/02/27/21/170022721.db2.gz HIEYPENCTIHDQV-FOCLMDBBSA-N -1 1 261.241 1.596 50 10 CDCAMM CNC(=O)c1[nH]cnc1NN=C1C=CC(=O)C=C1[O-] ZINC000004817969 170022723 /nfs/dbraw/zinc/02/27/23/170022723.db2.gz HIEYPENCTIHDQV-FOCLMDBBSA-N -1 1 261.241 1.596 50 10 CDCAMM CCN1C(=O)/C(=C\c2ccc(O)cc2)C(=O)[N-]C1=S ZINC000005092114 697843096 /nfs/dbraw/zinc/84/30/96/697843096.db2.gz OKESCTFGBZBTPR-YFHOEESVSA-N -1 1 276.317 1.039 50 10 CDCAMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(F)c(Cl)c1 ZINC000006493873 170206758 /nfs/dbraw/zinc/20/67/58/170206758.db2.gz MZVCAOZCKUAOBJ-UHFFFAOYSA-N -1 1 299.714 1.306 50 10 CDCAMM Cc1cc(C)cc(NC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000017010804 356451772 /nfs/dbraw/zinc/45/17/72/356451772.db2.gz YHTXQQUPDUDULU-UHFFFAOYSA-N -1 1 275.333 1.130 50 10 CDCAMM CCOc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)ccc1O ZINC000001263702 375458120 /nfs/dbraw/zinc/45/81/20/375458120.db2.gz SIURLZNHRKGTPK-UHFFFAOYSA-N -1 1 292.316 1.546 50 10 CDCAMM CCOc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)ccc1O ZINC000001263702 375458124 /nfs/dbraw/zinc/45/81/24/375458124.db2.gz SIURLZNHRKGTPK-UHFFFAOYSA-N -1 1 292.316 1.546 50 10 CDCAMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1O ZINC000001263702 375458129 /nfs/dbraw/zinc/45/81/29/375458129.db2.gz SIURLZNHRKGTPK-UHFFFAOYSA-N -1 1 292.316 1.546 50 10 CDCAMM COc1ccccc1/C=C1\C(=O)[N-]C(=S)NC1=O ZINC000016956651 356449302 /nfs/dbraw/zinc/44/93/02/356449302.db2.gz LTLFWHGHBXCENB-UHFFFAOYSA-N -1 1 262.290 1.450 50 10 CDCAMM COc1ccccc1/C=C1/C(=O)[N-]C(=S)NC1=O ZINC000016956651 356449306 /nfs/dbraw/zinc/44/93/06/356449306.db2.gz LTLFWHGHBXCENB-UHFFFAOYSA-N -1 1 262.290 1.450 50 10 CDCAMM COc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O ZINC000016956651 356449309 /nfs/dbraw/zinc/44/93/09/356449309.db2.gz LTLFWHGHBXCENB-UHFFFAOYSA-N -1 1 262.290 1.450 50 10 CDCAMM CCOC(=O)Cc1cc(=O)oc2c(O)c([O-])ccc12 ZINC000026476629 356694214 /nfs/dbraw/zinc/69/42/14/356694214.db2.gz FYFASEMOZCVRMZ-UHFFFAOYSA-N -1 1 264.233 1.310 50 10 biogenic CDCAMM O=C1[N-]C(=S)S/C1=C1\C(=O)Nc2ccc(F)cc21 ZINC000001031853 355926575 /nfs/dbraw/zinc/92/65/75/355926575.db2.gz BBAAXEBKKSKXHK-FPLPWBNLSA-N -1 1 280.305 1.637 50 10 CDCAMM CCc1cccc(C)c1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000023114575 358037334 /nfs/dbraw/zinc/03/73/34/358037334.db2.gz WLODEBQHHCYZRV-UHFFFAOYSA-N -1 1 289.360 1.384 50 10 CDCAMM CC(=CC(C)=C1C(C)=NNC1=O)c1c(C)[n-][nH]c1=O ZINC000000303833 723614439 /nfs/dbraw/zinc/61/44/39/723614439.db2.gz QBABLFBLQXDWGX-SQXCDDPUSA-N -1 1 260.297 1.021 50 10 CDCAMM CCCN1C(=O)C(=CNc2ccccn2)C(=O)[N-]C1=S ZINC000105490252 725258548 /nfs/dbraw/zinc/25/85/48/725258548.db2.gz HRXNAKUSPJJULL-CMDGGOBGSA-N -1 1 290.348 1.031 50 10 CDCAMM O=C1c2ccccc2C(=O)c2c(O)c([O-])cc(O)c21 ZINC000003861633 285022566 /nfs/dbraw/zinc/02/25/66/285022566.db2.gz BBNQQADTFFCFGB-UHFFFAOYSA-N -1 1 256.213 1.579 50 10 biogenic,in-vivo CDCAMM CCN1C(=O)/C(=C/c2ccc(C)o2)C(=O)[N-]C1=S ZINC000000092026 364099962 /nfs/dbraw/zinc/09/99/62/364099962.db2.gz WCBJYVLSZSZVHO-RMKNXTFCSA-N -1 1 264.306 1.235 50 10 CDCAMM CN1C(=O)C(=CNc2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000005818746 170143775 /nfs/dbraw/zinc/14/37/75/170143775.db2.gz 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