smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1Cl ZINC000003267610 520090724 /nfs/dbraw/zinc/09/07/24/520090724.db2.gz SNRMVAUOGPNQQK-GFCCVEGCSA-N 0 2 330.819 3.587 40 30 EHEBLN Cc1cc(N=NCc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2O)n1 ZINC000005003051 525042716 /nfs/dbraw/zinc/04/27/16/525042716.db2.gz NXTLEFHKIYQJOL-YBFXNURJSA-N 0 2 349.350 3.512 40 30 EHEBLN CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000000209477 563260435 /nfs/dbraw/zinc/26/04/35/563260435.db2.gz OMGDMUOMPGYUNH-MRXNPFEDSA-N 0 2 327.767 3.829 40 30 EHEBLN CCc1cccc(C)c1NC(O)=NS(=O)(=O)c1ccc(C)cc1 ZINC000001625079 563397525 /nfs/dbraw/zinc/39/75/25/563397525.db2.gz GAIWCIYJFTXIBB-UHFFFAOYSA-N 0 2 332.425 3.581 40 30 EHEBLN CCc1nnc(C2=C(O)C(=Cc3cccc(OC)c3)SC2=N)s1 ZINC000136810156 564000095 /nfs/dbraw/zinc/00/00/95/564000095.db2.gz CVJVYRPNXJBESM-KIRBRQRLSA-N 0 2 345.449 3.527 40 30 EHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1cccs1)C(C#N)C#N ZINC000104815678 204121415 /nfs/dbraw/zinc/12/14/15/204121415.db2.gz KDSSYSQGAAHRJZ-SJORKVTESA-N 0 2 334.404 3.534 40 30 EHEBLN C=CCc1cc(/C=[NH+]/Cc2ccc(C(=O)[O-])cc2)cc(OCC)c1O ZINC000059302155 257850375 /nfs/dbraw/zinc/85/03/75/257850375.db2.gz BYUDHHWMDPVRSL-FYJGNVAPSA-N 0 2 339.391 3.837 40 30 EHEBLN O=[N+]([O-])c1ccc(O)c(C=NNc2ccnc3cc(Cl)ccc32)c1 ZINC000036186205 563643776 /nfs/dbraw/zinc/64/37/76/563643776.db2.gz DGIJCKOXGBUOJI-OCKHKDLRSA-N 0 2 342.742 3.948 40 30 EHEBLN O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2/C=N/O)c([N+](=O)[O-])c1 ZINC000409076980 564009425 /nfs/dbraw/zinc/00/94/25/564009425.db2.gz CVOODQJGHAWWKD-VIZOYTHASA-N 0 2 337.675 3.757 40 30 EHEBLN COc1c2ccoc2cc(O)c1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000004293416 563499336 /nfs/dbraw/zinc/49/93/36/563499336.db2.gz IBDSRVXKMCKMRM-QPJJXVBHSA-N 0 2 339.303 3.951 40 30 EHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(F)cc3)SC2=N)s1 ZINC000137619191 564130031 /nfs/dbraw/zinc/13/00/31/564130031.db2.gz ROZXJXSLEJTTOB-LNYDFZRASA-N 0 2 333.413 3.657 40 30 EHEBLN N#CCCC1C(=O)N(c2nc3ccccc3[nH]2)N=C1c1ccccc1 ZINC000014607971 564023625 /nfs/dbraw/zinc/02/36/25/564023625.db2.gz TZSDZCZEIXPXFR-UHFFFAOYSA-N 0 2 329.363 3.577 40 30 EHEBLN N#CCCc1c(=O)n(-c2nc3ccccc3[nH]2)[nH]c1-c1ccccc1 ZINC000014607971 564023626 /nfs/dbraw/zinc/02/36/26/564023626.db2.gz TZSDZCZEIXPXFR-UHFFFAOYSA-N 0 2 329.363 3.577 40 30 EHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1cccs1)C(C#N)C#N ZINC000005416514 563532011 /nfs/dbraw/zinc/53/20/11/563532011.db2.gz KDSSYSQGAAHRJZ-IRXDYDNUSA-N 0 2 334.404 3.534 40 30 EHEBLN COc1ccc(NC(=S)Sc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000006398319 563567160 /nfs/dbraw/zinc/56/71/60/563567160.db2.gz FIWVRHLWVWGHLG-UHFFFAOYSA-N 0 2 345.405 3.964 40 30 EHEBLN Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)c1ccccc1 ZINC000003155733 563984373 /nfs/dbraw/zinc/98/43/73/563984373.db2.gz NMQAIQYTJSJUCD-CAOOACKPSA-N 0 2 325.220 3.998 40 30 EHEBLN Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2O)n1 ZINC000036624720 525047221 /nfs/dbraw/zinc/04/72/21/525047221.db2.gz KYMBKWAZEOIIHI-ODLFYWEKSA-N 0 2 349.350 3.512 40 30 EHEBLN O=[N+]([O-])c1cc(C=NNc2ccccc2C(F)(F)F)ccc1O ZINC000034892203 563483275 /nfs/dbraw/zinc/48/32/75/563483275.db2.gz OHPAMDUHMRAUSW-QGMBQPNBSA-N 0 2 325.246 3.765 40 30 EHEBLN CCN(CC)c1ccc(/N=C2/C=C(C(=O)O)C(=O)c3ccccc32)cc1 ZINC000016678511 201978613 /nfs/dbraw/zinc/97/86/13/201978613.db2.gz IBFCZEPVAOODTK-QOCHGBHMSA-N 0 2 348.402 3.861 40 30 EHEBLN Cc1cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c(O)c([N+](=O)[O-])c1 ZINC000005959498 563556213 /nfs/dbraw/zinc/55/62/13/563556213.db2.gz JBLPGIDJTGIRGD-VXLYETTFSA-N 0 2 341.367 3.954 40 30 EHEBLN CN1c2ccccc2C(=NNc2nc(-c3ccccc3)cs2)C1=O ZINC000100492059 563912777 /nfs/dbraw/zinc/91/27/77/563912777.db2.gz IYANUSWDMYUGDN-SILNSSARSA-N 0 2 334.404 3.603 40 30 EHEBLN CCc1nnc(C2=C(O)C(=Cc3ccccc3OC)SC2=N)s1 ZINC000136475362 564000107 /nfs/dbraw/zinc/00/01/07/564000107.db2.gz HDAMZDILBBVZGS-KIRBRQRLSA-N 0 2 345.449 3.527 40 30 EHEBLN N#CCCC1C(=O)N(c2nc3ccccc3o2)N=C1c1ccccc1 ZINC000014607915 564023633 /nfs/dbraw/zinc/02/36/33/564023633.db2.gz VZQSRVBERQBTKC-UHFFFAOYSA-N 0 2 330.347 3.842 40 30 EHEBLN N#CCCc1c(=O)n(-c2nc3ccccc3o2)[nH]c1-c1ccccc1 ZINC000014607915 564023634 /nfs/dbraw/zinc/02/36/34/564023634.db2.gz VZQSRVBERQBTKC-UHFFFAOYSA-N 0 2 330.347 3.842 40 30 EHEBLN Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCOc1ccc2ccccc2c1 ZINC000101101667 219115898 /nfs/dbraw/zinc/11/58/98/219115898.db2.gz DIGGNTSXEXWNCD-XDOYNYLZSA-N 0 2 346.386 3.752 40 30 EHEBLN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc([N+](=O)[O-])o3)nc1-2 ZINC000409043412 564009102 /nfs/dbraw/zinc/00/91/02/564009102.db2.gz QQVVQNBKBRSPQH-IUXPMGMMSA-N 0 2 341.348 3.975 40 30 EHEBLN COc1ccc(-n2cccc2/C=N/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000408844485 564007545 /nfs/dbraw/zinc/00/75/45/564007545.db2.gz JNDAFUQPBOLWPZ-XDHOZWIPSA-N 0 2 337.335 3.850 40 30 EHEBLN CC1=NN(c2ccccc2)C(=O)C1C=NC(=S)Nc1ccccc1 ZINC000003136117 527548800 /nfs/dbraw/zinc/54/88/00/527548800.db2.gz JKUOGRSHFOYPFA-XDHOZWIPSA-N 0 2 336.420 3.702 40 30 EHEBLN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/O)cc1 ZINC000408939479 564008163 /nfs/dbraw/zinc/00/81/63/564008163.db2.gz MSFZRHFXZFYNQM-XDHOZWIPSA-N 0 2 341.388 3.724 40 30 EHEBLN CCOC(=O)c1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1 ZINC000003127257 564155308 /nfs/dbraw/zinc/15/53/08/564155308.db2.gz RBSLPPVENVIAIA-VCHYOVAHSA-N 0 2 328.324 3.536 40 30 EHEBLN Cc1cccc2c1N(CCOc1cccc3ccccc31)C(=O)/C2=N\O ZINC000101101779 219116500 /nfs/dbraw/zinc/11/65/00/219116500.db2.gz YDHYBEICXZEEPG-QOCHGBHMSA-N 0 2 346.386 3.752 40 30 EHEBLN C=CCc1cc(/C=[NH+]\C2CCCCC2)cc(OC)c1OCC(=O)[O-] ZINC000408850982 564007662 /nfs/dbraw/zinc/00/76/62/564007662.db2.gz SSYYNBZBMJIEIU-NDENLUEZSA-N 0 2 331.412 3.639 40 30 EHEBLN C[NH+](C)c1ccc(-n2cccc2/C=N/c2cccc(C(=O)[O-])c2)cc1 ZINC000138241353 564130045 /nfs/dbraw/zinc/13/00/45/564130045.db2.gz NGGHHGXWALQJGC-KGENOOAVSA-N 0 2 333.391 3.992 40 30 EHEBLN Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000005008359 210359946 /nfs/dbraw/zinc/35/99/46/210359946.db2.gz HMGDCTAUHBGLNH-UBKPWBPPSA-N 0 2 326.139 3.940 40 30 EHEBLN C[NH+](C)c1ccc(-n2cccc2/C=N/Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000166274275 564130062 /nfs/dbraw/zinc/13/00/62/564130062.db2.gz JSRLOPVSAPYPPE-PXLXIMEGSA-N 0 2 347.418 3.861 40 30 EHEBLN N=C1SC(=Cc2cc(Cl)ccc2O)C(O)=C1c1nccs1 ZINC000033608362 564050183 /nfs/dbraw/zinc/05/01/83/564050183.db2.gz SAJAMBUXNPCJOO-JHLMFHBZSA-N 0 2 336.825 3.920 40 30 EHEBLN N#C[C@@H](C(=O)CCc1nc2ccccc2[nH]1)c1nc2ccccc2s1 ZINC000005647318 526489308 /nfs/dbraw/zinc/48/93/08/526489308.db2.gz PMYMBJRNLNJLFE-LBPRGKRZSA-N 0 2 346.415 3.982 40 30 EHEBLN N#C[C@H](C(=O)CCc1nc2ccccc2[nH]1)c1nc2ccccc2s1 ZINC000013217419 563692370 /nfs/dbraw/zinc/69/23/70/563692370.db2.gz PMYMBJRNLNJLFE-GFCCVEGCSA-N 0 2 346.415 3.982 40 30 EHEBLN CC(C)C(=O)Nc1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1 ZINC000005841534 563552146 /nfs/dbraw/zinc/55/21/46/563552146.db2.gz DLSCNUOJTGLOSN-VCHYOVAHSA-N 0 2 327.340 3.646 40 30 EHEBLN O=S(=O)(Oc1c(Cl)cc(Cl)cc1/C=N/O)c1ccccc1 ZINC000409072220 564009485 /nfs/dbraw/zinc/00/94/85/564009485.db2.gz JIGHIKOHBFGDTE-LZYBPNLTSA-N 0 2 346.191 3.569 40 30 EHEBLN O=[N+]([O-])c1ccc(O)c(/C=N/c2c(-c3ccco3)nc3ccccn32)c1 ZINC000038178113 564129940 /nfs/dbraw/zinc/12/99/40/564129940.db2.gz RBHABRJIXLTTQV-YBFXNURJSA-N 0 2 348.318 3.959 40 30 EHEBLN O=[N+]([O-])c1cccc(C=NNc2cccc(C(F)(F)F)c2)c1O ZINC000035188467 213013627 /nfs/dbraw/zinc/01/36/27/213013627.db2.gz GOXDARKVXZAZKK-QGMBQPNBSA-N 0 2 325.246 3.765 40 30 EHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1cccs1)C(C#N)C#N ZINC000005416505 563531962 /nfs/dbraw/zinc/53/19/62/563531962.db2.gz KDSSYSQGAAHRJZ-DLBZAZTESA-N 0 2 334.404 3.534 40 30 EHEBLN C=CCc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc(OCC)c1O ZINC000059678881 564050953 /nfs/dbraw/zinc/05/09/53/564050953.db2.gz LZKAFIOVVLZGBE-YBFXNURJSA-N 0 2 342.351 3.884 40 30 EHEBLN C[NH+](C)c1ccc(-n2cccc2/C=N\c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000096480130 564129921 /nfs/dbraw/zinc/12/99/21/564129921.db2.gz XYFJPJVBBZGIMG-BKUYFWCQSA-N 0 2 349.390 3.698 40 30 EHEBLN CCCOC(=O)c1ccc(/N=C/c2cc(C)cc([N+](=O)[O-])c2O)cc1 ZINC000006398341 520221308 /nfs/dbraw/zinc/22/13/08/520221308.db2.gz XUVRJEIFZXEJKD-YBFXNURJSA-N 0 2 342.351 3.926 40 30 EHEBLN O=S(=O)(Oc1ccc(Cl)cc1/C=N/O)c1ccc(Cl)cc1 ZINC000409065301 564009364 /nfs/dbraw/zinc/00/93/64/564009364.db2.gz HMKBABIOMMLJAT-LZYBPNLTSA-N 0 2 346.191 3.569 40 30 EHEBLN Cc1cc(/C=N/c2ccccc2N2CCCC2)c(O)c([N+](=O)[O-])c1 ZINC000004641729 210237473 /nfs/dbraw/zinc/23/74/73/210237473.db2.gz MTWWIXYMIVRDIX-XDHOZWIPSA-N 0 2 325.368 3.960 40 30 EHEBLN Cc1ccccc1OCCCN1c2ccc(Cl)cc2/C(=N/O)C1=O ZINC000101102040 219116075 /nfs/dbraw/zinc/11/60/75/219116075.db2.gz FRHXNZJPMWOBNX-JZJYNLBNSA-N 0 2 344.798 3.642 40 30 EHEBLN O/N=C(\CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 ZINC000017249167 563841382 /nfs/dbraw/zinc/84/13/82/563841382.db2.gz GVPYPKOPSXHWPD-UFWORHAWSA-N 0 2 335.631 3.764 40 30 EHEBLN O=[N+]([O-])c1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1O ZINC000037390763 213143828 /nfs/dbraw/zinc/14/38/28/213143828.db2.gz HIOQVQFOAMPOPP-REZTVBANSA-N 0 2 340.166 3.731 40 30 EHEBLN C[NH+](C)c1ccc(-n2cccc2/C=N/c2ccc(C(=O)[O-])cc2)cc1 ZINC000408949313 564008232 /nfs/dbraw/zinc/00/82/32/564008232.db2.gz AVAJGHCHVKIDJJ-KGENOOAVSA-N 0 2 333.391 3.992 40 30 EHEBLN CCOc1ccc(/N=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)cc1 ZINC000006962318 564126415 /nfs/dbraw/zinc/12/64/15/564126415.db2.gz YOIQAHRXWOBKIY-WOJGMQOQSA-N 0 2 330.340 3.848 40 30 EHEBLN Cc1cccc2c1N(CCOc1ccc3ccccc3c1)C(=O)/C2=N\O ZINC000039853989 213242690 /nfs/dbraw/zinc/24/26/90/213242690.db2.gz YEUBVHNDXVXXQQ-QOCHGBHMSA-N 0 2 346.386 3.752 40 30 EHEBLN Cc1ccc(OCCCN2c3ccc(Cl)cc3/C(=N/O)C2=O)cc1 ZINC000101102046 219115835 /nfs/dbraw/zinc/11/58/35/219115835.db2.gz UPTXROVRCQRYPO-JZJYNLBNSA-N 0 2 344.798 3.642 40 30 EHEBLN Cc1ccc2c(c1)/C(=N/O)C(=O)N2CCOc1cccc2ccccc21 ZINC000039853941 213241923 /nfs/dbraw/zinc/24/19/23/213241923.db2.gz BOQJXYBRAYXQNK-XDOYNYLZSA-N 0 2 346.386 3.752 40 30 EHEBLN O=CC[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095671182 258067327 /nfs/dbraw/zinc/06/73/27/258067327.db2.gz XDMMTASRBCVJLM-GSVOUGTGSA-N 0 2 328.077 3.611 40 30 EHEBLN COc1c2ccoc2cc(O)c1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013409818 563698027 /nfs/dbraw/zinc/69/80/27/563698027.db2.gz IBDSRVXKMCKMRM-DAXSKMNVSA-N 0 2 339.303 3.951 40 30 EHEBLN CCOc1ccc(C=[NH+]Nc2nnc(SCCC(C)C)[n-]2)cc1 ZINC000009695132 563644841 /nfs/dbraw/zinc/64/48/41/563644841.db2.gz BWRQKJMJJMRLBD-GZTJUZNOSA-N 0 2 333.461 3.788 40 30 EHEBLN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1cccs1)C(C#N)C#N ZINC000104815675 563983670 /nfs/dbraw/zinc/98/36/70/563983670.db2.gz KDSSYSQGAAHRJZ-IAGOWNOFSA-N 0 2 334.404 3.534 40 30 EHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OC)cc3)SC2=N)s1 ZINC000136863889 564000110 /nfs/dbraw/zinc/00/01/10/564000110.db2.gz XUTNAZPIOVBWKM-KIRBRQRLSA-N 0 2 345.449 3.527 40 30 EHEBLN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O ZINC000409087586 564009689 /nfs/dbraw/zinc/00/96/89/564009689.db2.gz IXZRZOBBZOZVRQ-UXBLZVDNSA-N 0 2 330.192 3.921 40 30 EHEBLN O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccccn32)ccc1O ZINC000035183048 213013732 /nfs/dbraw/zinc/01/37/32/213013732.db2.gz ZKPCMVXWJXSUIY-YBFXNURJSA-N 0 2 348.318 3.959 40 30 EHEBLN O/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 ZINC000101210852 219119042 /nfs/dbraw/zinc/11/90/42/219119042.db2.gz GVPYPKOPSXHWPD-UWVJOHFNSA-N 0 2 335.631 3.764 40 30 EHEBLN Cc1nn(-c2ccccc2)c(C)c1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000408975267 564008499 /nfs/dbraw/zinc/00/84/99/564008499.db2.gz LNNBCVUCOABCDP-YBFXNURJSA-N 0 2 336.351 3.854 40 30 EHEBLN CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1Cl ZINC000003267608 520090555 /nfs/dbraw/zinc/09/05/55/520090555.db2.gz SNRMVAUOGPNQQK-LBPRGKRZSA-N 0 2 330.819 3.587 40 30 EHEBLN O=CC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095671181 258067324 /nfs/dbraw/zinc/06/73/24/258067324.db2.gz XDMMTASRBCVJLM-VKHMYHEASA-N 0 2 328.077 3.611 40 30 EHEBLN C[NH+](C)c1ccc(-n2cccc2/C=N/c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000009265677 211059405 /nfs/dbraw/zinc/05/94/05/211059405.db2.gz XYFJPJVBBZGIMG-FYJGNVAPSA-N 0 2 349.390 3.698 40 30 EHEBLN CCc1nnc(C2=C(O)C(=Cc3cccc(OC)c3)SC2=N)s1 ZINC000107969333 564129979 /nfs/dbraw/zinc/12/99/79/564129979.db2.gz CVJVYRPNXJBESM-KCVJERJOSA-N 0 2 345.449 3.527 40 30 EHEBLN C[NH+](C)c1ccc(-n2ccc(/C=N/c3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000006949230 563592322 /nfs/dbraw/zinc/59/23/22/563592322.db2.gz YTEIRTMWIYKKQN-FYJGNVAPSA-N 0 2 333.391 3.992 40 30 EHEBLN Cc1ccc(/N=C\c2c[nH]n3c2nc2ccccc2c3=O)cc1Cl ZINC000016312705 563808440 /nfs/dbraw/zinc/80/84/40/563808440.db2.gz XGBQZGVFBOHEQY-UKWGHVSLSA-N 0 2 336.782 3.888 40 30 EHEBLN Cc1oc(/N=C/c2cc(Br)c(O)cc2O)c(C#N)c1C ZINC000408719129 563615494 /nfs/dbraw/zinc/61/54/94/563615494.db2.gz JPJVRWNWJXUXLN-UBKPWBPPSA-N 0 2 335.157 3.692 40 30 EHEBLN CCc1nnc(C2=C(O)C(=Cc3sccc3C)SC2=N)s1 ZINC000136550005 564000104 /nfs/dbraw/zinc/00/01/04/564000104.db2.gz WRPXNWJLACKSMM-XMLLCQPESA-N 0 2 335.479 3.888 40 30 EHEBLN C=CCc1cc(/C=[NH+]/Cc2ccccc2)cc(OC)c1OCC(=O)[O-] ZINC000059302784 564050690 /nfs/dbraw/zinc/05/06/90/564050690.db2.gz CRABNOPFYZOCIG-FYJGNVAPSA-N 0 2 339.391 3.506 40 30 EHEBLN Cc1cc2[nH]c3c(C#N)c(O)c(Cc4ccccc4)c(=O)n3c2cc1C ZINC000104058969 219343233 /nfs/dbraw/zinc/34/32/33/219343233.db2.gz XMFRXWOPFNYSQL-UHFFFAOYSA-N 0 2 343.386 3.566 40 30 EHEBLN CCCOC(=O)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 ZINC000006779006 563586060 /nfs/dbraw/zinc/58/60/60/563586060.db2.gz WSAAYOBDVMTZKL-WOJGMQOQSA-N 0 2 328.324 3.618 40 30 EHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(OC)cc3)SC2=N)s1 ZINC000033661049 564129900 /nfs/dbraw/zinc/12/99/00/564129900.db2.gz XUTNAZPIOVBWKM-KCVJERJOSA-N 0 2 345.449 3.527 40 30 EHEBLN CC1=NN(Cc2ccccc2)C(=O)C1=NNc1ccc(Cl)cc1 ZINC000013590197 564020397 /nfs/dbraw/zinc/02/03/97/564020397.db2.gz POZJOAHKOCTYKB-SILNSSARSA-N 0 2 326.787 3.526 40 30 EHEBLN CC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1Cl ZINC000000209473 563260523 /nfs/dbraw/zinc/26/05/23/563260523.db2.gz OMGDMUOMPGYUNH-INIZCTEOSA-N 0 2 327.767 3.829 40 30 EHEBLN CCCC(=O)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1 ZINC000005950947 563555899 /nfs/dbraw/zinc/55/58/99/563555899.db2.gz IKIINRCCDNWNHU-WOJGMQOQSA-N 0 2 327.340 3.790 40 30 EHEBLN Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SC2CCCC2)[nH]1 ZINC000020905161 527590302 /nfs/dbraw/zinc/59/03/02/527590302.db2.gz FMPIKUFKBOQCPX-RQZCQDPDSA-N 0 2 347.492 3.680 40 30 EHEBLN CCc1nnc(C2=C(O)C(=Cc3ccc(F)cc3)SC2=N)s1 ZINC000033663456 564129882 /nfs/dbraw/zinc/12/98/82/564129882.db2.gz ROZXJXSLEJTTOB-IKKFDYCRSA-N 0 2 333.413 3.657 40 30 EHEBLN CC(C)C(=O)Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000005841496 210545533 /nfs/dbraw/zinc/54/55/33/210545533.db2.gz MJCDXGVRTSMYSC-VCHYOVAHSA-N 0 2 327.340 3.646 40 30 EHEBLN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(C(C)=O)cc2)c1O ZINC000006758637 563585810 /nfs/dbraw/zinc/58/58/10/563585810.db2.gz HPYRYYNLRGCMDJ-VCHYOVAHSA-N 0 2 328.324 3.652 40 30 EHEBLN CCOc1ccc(C=NNc2nnc(SC3CCCC3)[nH]2)cc1 ZINC000009695135 563644680 /nfs/dbraw/zinc/64/46/80/563644680.db2.gz SLYFZCFCZKQYSI-GZTJUZNOSA-N 0 2 331.445 3.684 40 30 EHEBLN N=C1SC(=Cc2cc(Cl)ccc2O)C(O)=C1c1nccs1 ZINC000138678261 564130048 /nfs/dbraw/zinc/13/00/48/564130048.db2.gz SAJAMBUXNPCJOO-MPFDYLAPSA-N 0 2 336.825 3.920 40 30 EHEBLN