smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)N(Cc2ccc(F)cc2)C(=O)C1=CC=Cc1ccco1 ZINC000002279834 206154642 /nfs/dbraw/zinc/15/46/42/206154642.db2.gz RGMJOBQRVNCCSE-FFBKCXOWSA-N -1 1 356.378 2.802 50 10 FFCAMM COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)o1 ZINC000002807149 204059734 /nfs/dbraw/zinc/05/97/34/204059734.db2.gz RGHPHXNSPKXQNN-UHFFFAOYSA-N -1 1 373.346 2.618 50 10 FFCAMM COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)o1 ZINC000002807149 204059738 /nfs/dbraw/zinc/05/97/38/204059738.db2.gz RGHPHXNSPKXQNN-UHFFFAOYSA-N -1 1 373.346 2.618 50 10 FFCAMM COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1 ZINC000002807149 204059742 /nfs/dbraw/zinc/05/97/42/204059742.db2.gz RGHPHXNSPKXQNN-UHFFFAOYSA-N -1 1 373.346 2.618 50 10 FFCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCCCc1ccccc1 ZINC000004089698 206169421 /nfs/dbraw/zinc/16/94/21/206169421.db2.gz QYQUWEQXYXEKLR-UHFFFAOYSA-N -1 1 367.401 2.804 50 10 biogenic FFCAMM COc1ccc(N2CCN(CCOc3ccccc3C(=O)[O-])CC2)cc1 ZINC000237274191 536699444 /nfs/dbraw/zinc/69/94/44/536699444.db2.gz BDUDHCANNILQJR-UHFFFAOYSA-N -1 1 356.422 2.594 50 10 FFCAMM Cc1cc(-c2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000000713089 506229262 /nfs/dbraw/zinc/22/92/62/506229262.db2.gz BFGVJCWGIITMOV-UHFFFAOYSA-N -1 1 357.347 2.918 50 10 FFCAMM Cc1cc(-c2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000000713089 506229272 /nfs/dbraw/zinc/22/92/72/506229272.db2.gz BFGVJCWGIITMOV-UHFFFAOYSA-N -1 1 357.347 2.918 50 10 FFCAMM Cc1cc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000000713089 506229275 /nfs/dbraw/zinc/22/92/75/506229275.db2.gz BFGVJCWGIITMOV-UHFFFAOYSA-N -1 1 357.347 2.918 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000000660042 506226053 /nfs/dbraw/zinc/22/60/53/506226053.db2.gz DQIXTYSKNFFUFV-UHFFFAOYSA-N -1 1 353.447 2.625 50 10 FFCAMM Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)o1 ZINC000000842748 506234864 /nfs/dbraw/zinc/23/48/64/506234864.db2.gz ITUAUOLTXIFJCM-UHFFFAOYSA-N -1 1 357.347 2.918 50 10 FFCAMM Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)o1 ZINC000000842748 506234866 /nfs/dbraw/zinc/23/48/66/506234866.db2.gz ITUAUOLTXIFJCM-UHFFFAOYSA-N -1 1 357.347 2.918 50 10 FFCAMM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)o1 ZINC000000842748 506234874 /nfs/dbraw/zinc/23/48/74/506234874.db2.gz ITUAUOLTXIFJCM-UHFFFAOYSA-N -1 1 357.347 2.918 50 10 FFCAMM COc1cccc(-n2cnnc2SCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000005895446 204230110 /nfs/dbraw/zinc/23/01/10/204230110.db2.gz XGMOJQNGXJNWFB-UHFFFAOYSA-N -1 1 357.391 2.662 50 10 FFCAMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000004990818 206239635 /nfs/dbraw/zinc/23/96/35/206239635.db2.gz FYXDGJBGGPRQKO-UHFFFAOYSA-N -1 1 358.759 2.763 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000009090057 204354275 /nfs/dbraw/zinc/35/42/75/204354275.db2.gz DQJMMOQRQNVZOF-NTEUORMPSA-N -1 1 354.435 2.894 50 10 FFCAMM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1 ZINC000001175768 506254955 /nfs/dbraw/zinc/25/49/55/506254955.db2.gz SMRSZIYCJOPNBX-UHFFFAOYSA-N -1 1 374.755 2.808 50 10 FFCAMM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1 ZINC000001175768 506254963 /nfs/dbraw/zinc/25/49/63/506254963.db2.gz SMRSZIYCJOPNBX-UHFFFAOYSA-N -1 1 374.755 2.808 50 10 FFCAMM O=C1[N-]C(=S)N(Cc2ccccc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000005626384 207109273 /nfs/dbraw/zinc/10/92/73/207109273.db2.gz OHNBSZLLTQXGON-GDNBJRDFSA-N -1 1 355.394 2.565 50 10 FFCAMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(O)c4ccccc34)ccc21 ZINC000003656794 506349771 /nfs/dbraw/zinc/34/97/71/506349771.db2.gz SAXNHUFPXUUFDU-UHFFFAOYSA-N -1 1 370.386 2.791 50 10 FFCAMM CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccccn1 ZINC000016755408 507106019 /nfs/dbraw/zinc/10/60/19/507106019.db2.gz LIRWCHGCBFGCTQ-UHFFFAOYSA-N -1 1 356.407 2.746 50 10 FFCAMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Br)c2)c1 ZINC000004973907 207068158 /nfs/dbraw/zinc/06/81/58/207068158.db2.gz DEGBGGINHXTVNO-UHFFFAOYSA-N -1 1 373.184 2.864 50 10 FFCAMM Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000015837260 507063388 /nfs/dbraw/zinc/06/33/88/507063388.db2.gz OACGSVHLTRIBPK-OQLLNIDSSA-N -1 1 367.361 2.724 50 10 FFCAMM O=S(=O)([N-]c1ccccc1Br)c1cccc2nonc21 ZINC000006502397 207142418 /nfs/dbraw/zinc/14/24/18/207142418.db2.gz MOAFBMAFMQAJRJ-UHFFFAOYSA-N -1 1 354.185 2.786 50 10 FFCAMM O=C([O-])COc1ccccc1C=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000001262072 506256033 /nfs/dbraw/zinc/25/60/33/506256033.db2.gz CYNICUQWJDHKDB-UVTDQMKNSA-N -1 1 372.377 2.785 50 10 FFCAMM O=C1[N-]C(=S)SC1=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000033400057 506357737 /nfs/dbraw/zinc/35/77/37/506357737.db2.gz BXDIEMZNWWZJGI-XYOKQWHBSA-N -1 1 351.409 2.761 50 10 FFCAMM Cn1cc(C=C2SC(=S)[N-]C2=O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000009548499 506703929 /nfs/dbraw/zinc/70/39/29/506703929.db2.gz WDUVGIHQHUAHIH-ZSOIEALJSA-N -1 1 373.459 2.737 50 10 FFCAMM Cc1cc2c(c(Br)c1)N(C)C(=O)C2=C1SC(=S)[N-]C1=O ZINC000001510049 506263540 /nfs/dbraw/zinc/26/35/40/506263540.db2.gz YZHQEMAOJGHWMO-NTMALXAHSA-N -1 1 369.265 2.593 50 10 FFCAMM C[C@@H]1CCCN(c2ccc(CNC(=O)c3cnc(C4CC4)[n-]c3=O)cc2)C1 ZINC000097756316 132230938 /nfs/dbraw/zinc/23/09/38/132230938.db2.gz PRNRTEJNPUYSBU-CQSZACIVSA-N -1 1 366.465 2.814 50 10 FFCAMM COc1ccccc1-c1nc(SCC(=O)c2ccc([O-])c(O)c2)n[nH]1 ZINC000002502452 506282306 /nfs/dbraw/zinc/28/23/06/506282306.db2.gz CYLSSQVEPVKJTQ-UHFFFAOYSA-N -1 1 357.391 2.867 50 10 FFCAMM CCC12CN3CC(C)(CN(C1)C3c1cc(Br)ccc1[O-])C2=O ZINC000019324932 507164726 /nfs/dbraw/zinc/16/47/26/507164726.db2.gz QJPDCZXXWKOVPY-UHFFFAOYSA-N -1 1 365.271 2.770 50 10 FFCAMM Cc1ccc2c([n-]cc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2=O)[nH+]1 ZINC000084205831 571079051 /nfs/dbraw/zinc/07/90/51/571079051.db2.gz OHCSXEDIHHFFMM-UHFFFAOYSA-N -1 1 354.385 2.779 50 10 FFCAMM Cc1ccc2c([O-])c(C(=O)NCc3ccc(N(C)C)c(F)c3)cnc2n1 ZINC000084205831 571079053 /nfs/dbraw/zinc/07/90/53/571079053.db2.gz OHCSXEDIHHFFMM-UHFFFAOYSA-N -1 1 354.385 2.779 50 10 FFCAMM Cc1cc(C(=O)CSc2nc(N)cc(=O)[n-]2)c(C)n1-c1cccc(F)c1 ZINC000012475903 207383591 /nfs/dbraw/zinc/38/35/91/207383591.db2.gz BTWQWUYSAAVXPX-UHFFFAOYSA-N -1 1 372.425 2.874 50 10 aggregator FFCAMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc21 ZINC000004001667 132386063 /nfs/dbraw/zinc/38/60/63/132386063.db2.gz MHARXAOFYBLXAH-UHFFFAOYSA-N -1 1 374.418 2.515 50 10 aggregator FFCAMM O=C1[N-]C(=S)N(Cc2ccccc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000000712451 506230338 /nfs/dbraw/zinc/23/03/38/506230338.db2.gz JNQJWJCZSQOGRU-MHWRWJLKSA-N -1 1 361.426 2.995 50 10 FFCAMM Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001275477 506257074 /nfs/dbraw/zinc/25/70/74/506257074.db2.gz LBPJNDQXYKHHOI-UHFFFAOYSA-N -1 1 369.402 2.577 50 10 FFCAMM Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001275477 506257082 /nfs/dbraw/zinc/25/70/82/506257082.db2.gz LBPJNDQXYKHHOI-UHFFFAOYSA-N -1 1 369.402 2.577 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001275477 506257085 /nfs/dbraw/zinc/25/70/85/506257085.db2.gz LBPJNDQXYKHHOI-UHFFFAOYSA-N -1 1 369.402 2.577 50 10 FFCAMM Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000023540492 507359140 /nfs/dbraw/zinc/35/91/40/507359140.db2.gz ANLVZSWSNXFDOY-UHFFFAOYSA-N -1 1 355.419 2.792 50 10 FFCAMM CC1=NN(c2nn[n-]n2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000102653267 570835343 /nfs/dbraw/zinc/83/53/43/570835343.db2.gz FPPFBEVJUVVIMP-MDWZMJQESA-N -1 1 354.757 2.919 50 10 FFCAMM Cc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000001163520 219383682 /nfs/dbraw/zinc/38/36/82/219383682.db2.gz RIPGZOLVSBMAMO-UHFFFAOYSA-N -1 1 361.760 2.636 50 10 FFCAMM Cc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000001163520 219383684 /nfs/dbraw/zinc/38/36/84/219383684.db2.gz RIPGZOLVSBMAMO-UHFFFAOYSA-N -1 1 361.760 2.636 50 10 FFCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCCc1cccc(F)c1 ZINC000005351212 207096535 /nfs/dbraw/zinc/09/65/35/207096535.db2.gz SOEHPBDHHRUZRN-UHFFFAOYSA-N -1 1 371.364 2.553 50 10 FFCAMM CSc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055107053 506678957 /nfs/dbraw/zinc/67/89/57/506678957.db2.gz LQHVLYTYINLGSG-UHFFFAOYSA-N -1 1 352.437 2.738 50 10 FFCAMM CC(=O)Oc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000015746200 507057646 /nfs/dbraw/zinc/05/76/46/507057646.db2.gz IOYBMTJIOCXKLR-YHYXMXQVSA-N -1 1 358.238 2.863 50 10 FFCAMM COc1cccc2cc(-c3cc(=O)oc4c(O)c([O-])ccc34)c(=O)oc21 ZINC000020426696 507220523 /nfs/dbraw/zinc/22/05/23/507220523.db2.gz CLKQDGSSGRCXLQ-UHFFFAOYSA-N -1 1 352.298 2.986 50 10 biogenic FFCAMM CCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(Cl)c1[O-] ZINC000096891459 210240743 /nfs/dbraw/zinc/24/07/43/210240743.db2.gz ODGAOQZLYKCUCQ-UKTHLTGXSA-N -1 1 368.842 2.747 50 10 FFCAMM Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000020034884 211265582 /nfs/dbraw/zinc/26/55/82/211265582.db2.gz JYGJUZCGJWQTKR-UHFFFAOYSA-N -1 1 367.361 2.690 50 10 FFCAMM CC[C@@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1Cl ZINC000000981056 210297857 /nfs/dbraw/zinc/29/78/57/210297857.db2.gz YUWIAYDPDLGEEI-MXFUOJGSSA-N -1 1 352.843 2.774 50 10 FFCAMM CCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)[N-]C1=S ZINC000005144124 506423812 /nfs/dbraw/zinc/42/38/12/506423812.db2.gz SUYJUDOAPHGQEX-SSZFMOIBSA-N -1 1 357.479 2.714 50 10 FFCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)N(C)Cc1ccccc1 ZINC000008764316 506667795 /nfs/dbraw/zinc/66/77/95/506667795.db2.gz LEMOLXHDCRSYRS-UHFFFAOYSA-N -1 1 353.374 2.714 50 10 biogenic FFCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000009170833 506684933 /nfs/dbraw/zinc/68/49/33/506684933.db2.gz WQEIAMDHOYATLU-UHFFFAOYSA-N -1 1 364.835 2.999 50 10 FFCAMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C(=O)N1 ZINC000015015485 211114967 /nfs/dbraw/zinc/11/49/67/211114967.db2.gz XGDLAKLBMZDPPF-UHFFFAOYSA-N -1 1 356.765 2.668 50 10 FFCAMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)C(=O)N1 ZINC000015015485 211114969 /nfs/dbraw/zinc/11/49/69/211114969.db2.gz XGDLAKLBMZDPPF-UHFFFAOYSA-N -1 1 356.765 2.668 50 10 FFCAMM CN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)[N-]C1=S ZINC000004672382 506386351 /nfs/dbraw/zinc/38/63/51/506386351.db2.gz KCZMSDVDDXLYJQ-MHWRWJLKSA-N -1 1 370.405 2.661 50 10 FFCAMM N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1 ZINC000018053423 211189883 /nfs/dbraw/zinc/18/98/83/211189883.db2.gz GPWSJCAZCQBXIB-CYBMUJFWSA-N -1 1 358.745 2.800 50 10 FFCAMM CCOc1cccc(/C=C2/C(=O)[N-]N(c3ccc(CC)cc3)C2=O)c1O ZINC000015746089 211140985 /nfs/dbraw/zinc/14/09/85/211140985.db2.gz KCNUSADNCKOYAU-VBKFSLOCSA-N -1 1 352.390 2.815 50 10 FFCAMM Cc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2C(=O)[O-])c(C)n1-c1ccccc1 ZINC000096151718 222054122 /nfs/dbraw/zinc/05/41/22/222054122.db2.gz WUIMCZBQGBVZTC-SFHVURJKSA-N -1 1 364.405 2.641 50 10 FFCAMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000002746805 506289959 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/nfs/dbraw/zinc/31/34/40/506313440.db2.gz OKBPBDRXMIFKLW-UHFFFAOYSA-N -1 1 373.346 2.618 50 10 FFCAMM CCOC(=O)c1c(C)[nH]nc1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000252637292 509856426 /nfs/dbraw/zinc/85/64/26/509856426.db2.gz XRKZDEOLFAYVRH-AWEZNQCLSA-N -1 1 354.370 2.770 50 10 FFCAMM O=C1[N-]C(=S)N(C2CC2)C(=O)C1=CNNc1cccc2ccccc21 ZINC000005092921 207079743 /nfs/dbraw/zinc/07/97/43/207079743.db2.gz OZFNMQQKZASEPI-GXDHUFHOSA-N -1 1 352.419 2.886 50 10 aggregator FFCAMM O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(F)c2)C(=O)N1 ZINC000001175724 506254467 /nfs/dbraw/zinc/25/44/67/506254467.db2.gz UIHRVJDKMNGOBS-UHFFFAOYSA-N -1 1 374.755 2.808 50 10 FFCAMM O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(F)c2)C(=O)N1 ZINC000001175724 506254475 /nfs/dbraw/zinc/25/44/75/506254475.db2.gz UIHRVJDKMNGOBS-UHFFFAOYSA-N -1 1 374.755 2.808 50 10 FFCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)N[C@H](C)c1ccccc1 ZINC000004089795 506358645 /nfs/dbraw/zinc/35/86/45/506358645.db2.gz DBEZPPYUXRLUJL-GFCCVEGCSA-N -1 1 353.374 2.933 50 10 biogenic FFCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000001231260 506257209 /nfs/dbraw/zinc/25/72/09/506257209.db2.gz MJBFOQGWQQBWMY-UHFFFAOYSA-N -1 1 372.833 2.833 50 10 FFCAMM CN(C)c1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1 ZINC000033286681 506353730 /nfs/dbraw/zinc/35/37/30/506353730.db2.gz KTWNKRKKHKOXHA-PTNGSMBKSA-N -1 1 354.435 2.640 50 10 FFCAMM Cc1cccc(COc2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2)c1 ZINC000004673219 207036665 /nfs/dbraw/zinc/03/66/65/207036665.db2.gz MXPOQUWLRPCZER-GZTJUZNOSA-N -1 1 366.442 2.831 50 10 FFCAMM CCOc1ccc2ccc(OCC)c(C=C3C(=O)[N-]C(=S)NC3=O)c2c1 ZINC000004725200 207041464 /nfs/dbraw/zinc/04/14/64/207041464.db2.gz GOYMHXBUMKNLJE-UHFFFAOYSA-N -1 1 370.430 2.552 50 10 FFCAMM Cc1ccc(-n2nnnc2SCC(=O)c2ccc([O-])c(O)c2)cc1C ZINC000001440508 506261653 /nfs/dbraw/zinc/26/16/53/506261653.db2.gz ZGBHFTNWGLCSAN-UHFFFAOYSA-N -1 1 356.407 2.665 50 10 FFCAMM CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCN(C)CC1 ZINC000020266734 507218385 /nfs/dbraw/zinc/21/83/85/507218385.db2.gz SFHKWMHJVSCOSC-UHFFFAOYSA-N -1 1 350.846 2.852 50 10 aggregator FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000015012656 211114070 /nfs/dbraw/zinc/11/40/70/211114070.db2.gz PJOPNKYXIISLJP-YBEGLDIGSA-N -1 1 367.474 2.967 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000004551394 506382337 /nfs/dbraw/zinc/38/23/37/506382337.db2.gz NDCVGIZBLNISQD-MHWRWJLKSA-N -1 1 367.474 2.967 50 10 FFCAMM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)ccc1O ZINC000000705681 210263745 /nfs/dbraw/zinc/26/37/45/210263745.db2.gz WSYDCVQEAFYURX-MHWRWJLKSA-N -1 1 352.390 2.869 50 10 FFCAMM CCOc1ccc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)c2ccccc12 ZINC000001134775 219378361 /nfs/dbraw/zinc/37/83/61/219378361.db2.gz KSQCPHUFQBKKJJ-RVDMUPIBSA-N -1 1 354.431 2.885 50 10 FFCAMM COc1cc([N+](=O)[O-])cc(CN2CCN(Cc3ccccc3)CC2)c1[O-] ZINC000019608656 211240490 /nfs/dbraw/zinc/24/04/90/211240490.db2.gz LLFDIRSSKDHUIA-UHFFFAOYSA-N -1 1 357.410 2.627 50 10 FFCAMM Cc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccccc1 ZINC000009010313 506677094 /nfs/dbraw/zinc/67/70/94/506677094.db2.gz YETZHKJFQFHIOR-HJWRWDBZSA-N -1 1 352.350 2.962 50 10 FFCAMM O=C(CSc1nc2ccccc2[nH]1)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000019797009 527060920 /nfs/dbraw/zinc/06/09/20/527060920.db2.gz USPQADYCERATMN-UHFFFAOYSA-N -1 1 365.418 2.522 50 10 FFCAMM CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\NC(=S)[N-]C3=O)c2C)cc1 ZINC000002240813 210385973 /nfs/dbraw/zinc/38/59/73/210385973.db2.gz WDERBXXNDGJEIE-YBEGLDIGSA-N -1 1 369.446 2.616 50 10 FFCAMM CC[C@H](C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1Cl ZINC000000981058 210297408 /nfs/dbraw/zinc/29/74/08/210297408.db2.gz YUWIAYDPDLGEEI-FKVCUQLRSA-N -1 1 352.843 2.774 50 10 FFCAMM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1 ZINC000001178703 506254909 /nfs/dbraw/zinc/25/49/09/506254909.db2.gz LJLDIAONFYNYCI-UHFFFAOYSA-N -1 1 374.755 2.808 50 10 FFCAMM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1 ZINC000001178703 506254918 /nfs/dbraw/zinc/25/49/18/506254918.db2.gz LJLDIAONFYNYCI-UHFFFAOYSA-N -1 1 374.755 2.808 50 10 FFCAMM CCN1C(=O)C(=C2SC(=S)[N-]C2=O)c2cc(Br)ccc21 ZINC000016730312 211168975 /nfs/dbraw/zinc/16/89/75/211168975.db2.gz SUGDYLSBSCUVMJ-KTKRTIGZSA-N -1 1 369.265 2.675 50 10 FFCAMM Cc1ccc(COc2ccc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2)cc1 ZINC000004675800 210550397 /nfs/dbraw/zinc/55/03/97/210550397.db2.gz VHPMIWYIJMQSSH-GZTJUZNOSA-N -1 1 366.442 2.831 50 10 FFCAMM Cc1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1Cl ZINC000001098336 210316240 /nfs/dbraw/zinc/31/62/40/210316240.db2.gz FEGYYOHSOCLDET-MDWZMJQESA-N -1 1 359.838 2.696 50 10 FFCAMM COc1cc(C=C2SC(=S)[N-]C2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000009497822 210284856 /nfs/dbraw/zinc/28/48/56/210284856.db2.gz JRGGWYQQBQGHQW-OQFOIZHKSA-N -1 1 362.335 2.694 50 10 FFCAMM CN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)[N-]C1=S ZINC000004672805 506386451 /nfs/dbraw/zinc/38/64/51/506386451.db2.gz RNKXYTZYTCTHPN-XNTDXEJSSA-N -1 1 370.405 2.661 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccccc1Cl ZINC000001164008 210327528 /nfs/dbraw/zinc/32/75/28/210327528.db2.gz YDXHCRRTPZTDIL-UHFFFAOYSA-N -1 1 359.838 2.662 50 10 FFCAMM C[C@H](NC=C1C(=O)[N-]C(=S)N(Cc2ccccc2)C1=O)c1ccccc1 ZINC000002605187 506283729 /nfs/dbraw/zinc/28/37/29/506283729.db2.gz YURXDWHNRYVBAV-VMOJBDSFSA-N -1 1 365.458 2.665 50 10 FFCAMM COc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])cc(OC)c2[O-])CC1 ZINC000004980278 506410756 /nfs/dbraw/zinc/41/07/56/506410756.db2.gz NCGRNHDQFACPMF-UHFFFAOYSA-N -1 1 373.409 2.640 50 10 FFCAMM O=C1[N-]C(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNNc1ccccc1 ZINC000005047011 506416993 /nfs/dbraw/zinc/41/69/93/506416993.db2.gz FJXYIPWPMYEDLZ-XNTDXEJSSA-N -1 1 370.409 2.910 50 10 FFCAMM O=C(CN1CCN(C/C=C/c2ccccc2)CC1)c1ccc([O-])c(O)c1 ZINC000075261083 508092220 /nfs/dbraw/zinc/09/22/20/508092220.db2.gz LPAHPBSFMREBAD-QPJJXVBHSA-N -1 1 352.434 2.612 50 10 FFCAMM O=C1[N-]C(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNc1cccc(F)c1 ZINC000006423786 506483093 /nfs/dbraw/zinc/48/30/93/506483093.db2.gz FZVNSCFJAWHEQM-OQLLNIDSSA-N -1 1 373.384 2.704 50 10 FFCAMM Cc1ccc(I)c([O-])c1CN1CCOCC1(C)C ZINC000095996998 508200818 /nfs/dbraw/zinc/20/08/18/508200818.db2.gz PNFMCSCVEHCFIC-UHFFFAOYSA-N -1 1 361.223 2.916 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000000980520 219349048 /nfs/dbraw/zinc/34/90/48/219349048.db2.gz PJOPNKYXIISLJP-MHWRWJLKSA-N -1 1 367.474 2.967 50 10 FFCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000018285406 220232046 /nfs/dbraw/zinc/23/20/46/220232046.db2.gz PCWXBCDAVXXNPD-UHFFFAOYSA-N -1 1 372.833 2.833 50 10 FFCAMM CC(C)(C)c1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(C(C)(C)C)c1O ZINC000004672680 506387239 /nfs/dbraw/zinc/38/72/39/506387239.db2.gz NMYXWYUOOVSKIF-UHFFFAOYSA-N -1 1 360.479 2.902 50 10 FFCAMM CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)NC3=O)o2)cc1 ZINC000017198067 220210243 /nfs/dbraw/zinc/21/02/43/220210243.db2.gz PYZXBGABUXRGDO-UHFFFAOYSA-N -1 1 370.386 2.878 50 10 FFCAMM CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)NC3=O)o2)cc1 ZINC000017198067 220210247 /nfs/dbraw/zinc/21/02/47/220210247.db2.gz PYZXBGABUXRGDO-UHFFFAOYSA-N -1 1 370.386 2.878 50 10 FFCAMM CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)cc1 ZINC000017198067 220210252 /nfs/dbraw/zinc/21/02/52/220210252.db2.gz PYZXBGABUXRGDO-UHFFFAOYSA-N -1 1 370.386 2.878 50 10 FFCAMM CN(C)Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc21 ZINC000019703074 220285068 /nfs/dbraw/zinc/28/50/68/220285068.db2.gz IYPYOSNUSXBFTR-UHFFFAOYSA-N -1 1 353.374 2.998 50 10 biogenic FFCAMM O=C1[N-]C(=S)N(C2CCCCC2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000002281364 506276726 /nfs/dbraw/zinc/27/67/26/506276726.db2.gz ULUFQQDNJHUPAN-ZRDIBKRKSA-N -1 1 354.435 2.522 50 10 FFCAMM Cc1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1Cl ZINC000019877694 220303408 /nfs/dbraw/zinc/30/34/08/220303408.db2.gz FEGYYOHSOCLDET-JYRVWZFOSA-N -1 1 359.838 2.696 50 10 FFCAMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000004602800 506384820 /nfs/dbraw/zinc/38/48/20/506384820.db2.gz QEZWUPAAXRFDRB-LBPRGKRZSA-N -1 1 357.797 2.974 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000000980371 219349009 /nfs/dbraw/zinc/34/90/09/219349009.db2.gz GUQSXIFTVPPAPB-UHFFFAOYSA-N -1 1 373.865 2.970 50 10 FFCAMM O=C1[N-]C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1 ZINC000001062651 219361626 /nfs/dbraw/zinc/36/16/26/219361626.db2.gz ZPCIQIIPPGABHK-UHFFFAOYSA-N -1 1 363.348 2.578 50 10 FFCAMM O=C1[N-]C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1 ZINC000001062651 219361630 /nfs/dbraw/zinc/36/16/30/219361630.db2.gz ZPCIQIIPPGABHK-UHFFFAOYSA-N -1 1 363.348 2.578 50 10 FFCAMM CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(Br)c1[O-] ZINC000002282143 506276598 /nfs/dbraw/zinc/27/65/98/506276598.db2.gz JDUWYVKCLZYGDF-GFCCVEGCSA-N -1 1 369.215 2.688 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1c(C)cccc1C ZINC000005898279 506461733 /nfs/dbraw/zinc/46/17/33/506461733.db2.gz BWJCAJHGJHSSFE-MHWRWJLKSA-N -1 1 367.474 2.967 50 10 FFCAMM COc1ccc(-c2nc(SCC(=O)c3ccc([O-])c(O)c3)n[nH]2)cc1 ZINC000006141647 506469983 /nfs/dbraw/zinc/46/99/83/506469983.db2.gz ODLBKXPMMLGFKK-UHFFFAOYSA-N -1 1 357.391 2.867 50 10 FFCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCc1ccc(F)cc1 ZINC000006660419 506495355 /nfs/dbraw/zinc/49/53/55/506495355.db2.gz ALPFUGWJTJDYIZ-UHFFFAOYSA-N -1 1 357.337 2.511 50 10 FFCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000000685047 219313074 /nfs/dbraw/zinc/31/30/74/219313074.db2.gz WJNBKDZARWFFKR-UHFFFAOYSA-N -1 1 372.833 2.833 50 10 FFCAMM CN(C)c1ccc(C=C2C(=O)[N-]C(=S)N2C(=O)c2ccc(F)cc2)cc1 ZINC000001273564 506256160 /nfs/dbraw/zinc/25/61/60/506256160.db2.gz VMZMYBYLYSCORL-LFIBNONCSA-N -1 1 369.421 2.790 50 10 FFCAMM C[C@@H](NC=C1C(=O)[N-]C(=S)N(Cc2ccccc2)C1=O)c1ccccc1 ZINC000002605189 506283883 /nfs/dbraw/zinc/28/38/83/506283883.db2.gz YURXDWHNRYVBAV-MTOJCTJASA-N -1 1 365.458 2.665 50 10 FFCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)N[C@@H](C)c1ccccc1 ZINC000004089794 506358482 /nfs/dbraw/zinc/35/84/82/506358482.db2.gz DBEZPPYUXRLUJL-LBPRGKRZSA-N -1 1 353.374 2.933 50 10 biogenic FFCAMM CCOC(=O)c1c(C)[nH]nc1N=Nc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000252637293 509856805 /nfs/dbraw/zinc/85/68/05/509856805.db2.gz XRKZDEOLFAYVRH-CQSZACIVSA-N -1 1 354.370 2.770 50 10 FFCAMM O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc([O-])c(O)c1 ZINC000002637828 506285387 /nfs/dbraw/zinc/28/53/87/506285387.db2.gz OCOGXGOWAANEHA-UHFFFAOYSA-N -1 1 372.358 2.852 50 10 FFCAMM CCOC(=O)c1c(N)oc2c1cc([O-])c1c2C(=O)c2ccccc2C1=O ZINC000004039298 506355177 /nfs/dbraw/zinc/35/51/77/506355177.db2.gz DKLWZIJITJLNCL-UHFFFAOYSA-N -1 1 351.314 2.673 50 10 biogenic FFCAMM CC[C@@H](C)N1C(=O)C(=CNc2ccc(N(CC)CC)cc2)C(=O)[N-]C1=S ZINC000013298037 506936246 /nfs/dbraw/zinc/93/62/46/506936246.db2.gz CDRHGIBNBRZWCX-MLDYKZIASA-N -1 1 374.510 2.870 50 10 FFCAMM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)[N-]C1=S ZINC000001135648 219377946 /nfs/dbraw/zinc/37/79/46/219377946.db2.gz KQIYJTAFFWFRAO-MHWRWJLKSA-N -1 1 371.437 2.880 50 10 FFCAMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(O)c4ccccc34)cc2[nH]1 ZINC000002685425 506288336 /nfs/dbraw/zinc/28/83/36/506288336.db2.gz DJTCWAGIGNBBIP-UHFFFAOYSA-N -1 1 355.375 2.516 50 10 FFCAMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000003114393 506311193 /nfs/dbraw/zinc/31/11/93/506311193.db2.gz HJNMIGDYMGIHFS-UHFFFAOYSA-N -1 1 358.741 2.728 50 10 FFCAMM Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000008742432 506666076 /nfs/dbraw/zinc/66/60/76/506666076.db2.gz GGHYGGXYCDTAMM-UHFFFAOYSA-N -1 1 370.390 2.757 50 10 FFCAMM Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000008742432 506666082 /nfs/dbraw/zinc/66/60/82/506666082.db2.gz GGHYGGXYCDTAMM-UHFFFAOYSA-N -1 1 370.390 2.757 50 10 FFCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000008742432 506666084 /nfs/dbraw/zinc/66/60/84/506666084.db2.gz GGHYGGXYCDTAMM-UHFFFAOYSA-N -1 1 370.390 2.757 50 10 FFCAMM CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[N-]C1=S ZINC000004550420 506382412 /nfs/dbraw/zinc/38/24/12/506382412.db2.gz AJTRLWHFNRJCHJ-XYOKQWHBSA-N -1 1 357.347 2.952 50 10 FFCAMM CC1(C)OC(=C/C=C2/C(=O)[N-]C(=S)NC2=O)C=C(c2ccccc2)O1 ZINC000017918234 507131079 /nfs/dbraw/zinc/13/10/79/507131079.db2.gz KITMJZYLOXZDLS-WQLSENKSSA-N -1 1 356.403 2.992 50 10 FFCAMM CC1(C)OC(=C/C=C2\C(=O)[N-]C(=S)NC2=O)C=C(c2ccccc2)O1 ZINC000017918234 507131085 /nfs/dbraw/zinc/13/10/85/507131085.db2.gz KITMJZYLOXZDLS-WQLSENKSSA-N -1 1 356.403 2.992 50 10 FFCAMM CC1(C)OC(=CC=C2C(=O)[N-]C(=S)NC2=O)C=C(c2ccccc2)O1 ZINC000017918234 507131088 /nfs/dbraw/zinc/13/10/88/507131088.db2.gz KITMJZYLOXZDLS-WQLSENKSSA-N -1 1 356.403 2.992 50 10 FFCAMM