smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](CC(=O)C(C)C)C2C(=O)c3ccccc3C2=O)cc1 ZINC000100807024 219107276 /nfs/dbraw/zinc/10/72/76/219107276.db2.gz IULKRYUDDGCDFZ-GOSISDBHSA-N 0 0 334.415 4.389 50 10 EICARN Cc1cc(CNC(=O)NC2CCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000009228611 201771619 /nfs/dbraw/zinc/77/16/19/201771619.db2.gz RCMQIUBWUAQDIZ-UHFFFAOYSA-N 0 0 345.874 4.489 50 10 EICARN Cc1cc(CNC(=O)NCc2ccccc2)c(C)n1-c1ccccc1 ZINC000009228859 201771785 /nfs/dbraw/zinc/77/17/85/201771785.db2.gz ZCHCCEPJOZMIFB-UHFFFAOYSA-N 0 0 333.435 4.094 50 10 EICARN COC(=O)c1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1 ZINC000013897382 201921265 /nfs/dbraw/zinc/92/12/65/201921265.db2.gz VTLYQFXUTBBFIM-GZTJUZNOSA-N 0 0 334.371 4.071 50 10 EICARN Cc1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)n1 ZINC000019799770 202021086 /nfs/dbraw/zinc/02/10/86/202021086.db2.gz STROMGIFIYNBGS-LJQANCHMSA-N 0 0 342.402 4.240 50 10 EICARN CCCc1cc([C@@H]2CCCN2Cc2cccc(OCC)c2O)no1 ZINC000021720397 202070062 /nfs/dbraw/zinc/07/00/62/202070062.db2.gz BWZLHHWKNNRWEE-KRWDZBQOSA-N 0 0 330.428 4.069 50 10 EICARN O=c1[nH]c(C=Cc2ccc(N3CCCCC3)cc2)nc2ccccc12 ZINC000033527920 202266984 /nfs/dbraw/zinc/26/69/84/202266984.db2.gz BLUYRRXJFNXXRY-RAXLEYEMSA-N 0 0 331.419 4.084 50 10 EICARN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1 ZINC000096930798 201377826 /nfs/dbraw/zinc/37/78/26/201377826.db2.gz AZSZIERGLDEIGM-GDNBJRDFSA-N 0 0 326.446 4.104 50 10 EICARN CN(C)c1ccc2sc(SCC(=O)Nc3ccccc3)nc2c1 ZINC000000087506 201431690 /nfs/dbraw/zinc/43/16/90/201431690.db2.gz JEPDUMBKQSWPGT-UHFFFAOYSA-N 0 0 343.477 4.093 50 10 EICARN O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1C1CCCCC1 ZINC000001133218 201498694 /nfs/dbraw/zinc/49/86/94/201498694.db2.gz HMZGZVCPHQMBIF-GXDHUFHOSA-N 0 0 343.477 4.097 50 10 EICARN COc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000001086543 201499297 /nfs/dbraw/zinc/49/92/97/201499297.db2.gz AFYBWAYAWSTYQN-LCYFTJDESA-N 0 0 333.459 4.163 50 10 EICARN CCCCCCN1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000002666831 201540378 /nfs/dbraw/zinc/54/03/78/201540378.db2.gz STHZZBWVMLLZKS-QINSGFPZSA-N 0 0 335.494 4.477 50 10 EICARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(C(C)C)cc3)C2=N)S1 ZINC000004853685 201623460 /nfs/dbraw/zinc/62/34/60/201623460.db2.gz QWZKBEYGUABOCU-MQDBOXDISA-N 0 0 340.452 4.229 50 10 EICARN CN(C)c1ccc([C@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000005328720 201647138 /nfs/dbraw/zinc/64/71/38/201647138.db2.gz WDDKXKNEUKALBY-NRFANRHFSA-N 0 0 328.419 4.135 50 10 EICARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccccc1C(F)(F)F ZINC000096403082 203889483 /nfs/dbraw/zinc/88/94/83/203889483.db2.gz INKAJMAXIOLQKP-JLHYYAGUSA-N 0 0 340.370 4.162 50 10 EICARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccccc1 ZINC000016682877 211929207 /nfs/dbraw/zinc/92/92/07/211929207.db2.gz QFIAAERAQWULMH-XMHGGMMESA-N 0 0 347.414 4.262 50 10 EICARN CC(C)C(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O ZINC000000092423 205401603 /nfs/dbraw/zinc/40/16/03/205401603.db2.gz WVFMBPBMXPRWHY-OAHLLOKOSA-N 0 0 344.798 4.048 50 10 EICARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004697092 205724987 /nfs/dbraw/zinc/72/49/87/205724987.db2.gz ZJRRXSHPDQPRCB-MPGHIAIKSA-N 0 0 337.335 4.330 50 10 EICARN Cc1ccccc1N1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000012113015 207072211 /nfs/dbraw/zinc/07/22/11/207072211.db2.gz CDTGHTOIIVWLCW-ATVHPVEESA-N 0 0 338.432 4.302 50 10 EICARN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000010113061 135688684 /nfs/dbraw/zinc/68/86/84/135688684.db2.gz WSLLMJZULMOIEQ-UHFFFAOYSA-N 0 0 328.843 4.260 50 10 EICARN CC(=O)N[C@@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000000245381 563265773 /nfs/dbraw/zinc/26/57/73/563265773.db2.gz VXXSIPYMJHBDJD-IBGZPJMESA-N 0 0 325.795 4.424 50 10 EICARN Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000003873981 563490141 /nfs/dbraw/zinc/49/01/41/563490141.db2.gz LJFWQNJLLOFIJK-UHFFFAOYSA-N 0 0 329.355 4.220 50 10 EICARN CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000005090959 563520858 /nfs/dbraw/zinc/52/08/58/563520858.db2.gz XXSMXVOYVYAUQZ-NTEUORMPSA-N 0 0 333.409 4.307 50 10 EICARN CCCCCCN1C(=O)/C(=C\c2ccccc2OC)SC1=S ZINC000005502061 563535798 /nfs/dbraw/zinc/53/57/98/563535798.db2.gz STHZZBWVMLLZKS-NTCAYCPXSA-N 0 0 335.494 4.477 50 10 EICARN O=C1Nc2ccccc2/C1=C\c1c[nH]c2ccc(Br)cc12 ZINC000012628969 563666091 /nfs/dbraw/zinc/66/60/91/563666091.db2.gz WYWURHNIPAJGSG-VGOFMYFVSA-N 0 0 339.192 4.423 50 10 EICARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 ZINC000013616059 563703916 /nfs/dbraw/zinc/70/39/16/563703916.db2.gz NHEVVFUDOKANCZ-UVTDQMKNSA-N 0 0 348.449 4.129 50 10 EICARN Cc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)o1 ZINC000015011177 563771931 /nfs/dbraw/zinc/77/19/31/563771931.db2.gz SZZHICMREUMCCS-VBKFSLOCSA-N 0 0 343.473 4.422 50 10 EICARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1Cc1ccccc1 ZINC000015011976 563772243 /nfs/dbraw/zinc/77/22/43/563772243.db2.gz YHSBXXPINTVKRS-JBZDNPHWSA-N 0 0 327.430 4.237 50 10 EICARN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccccc1Cl ZINC000013646444 563931395 /nfs/dbraw/zinc/93/13/95/563931395.db2.gz TZABVDAZVUITSU-UHFFFAOYSA-N 0 0 328.843 4.260 50 10 EICARN O=C1c2ccccc2N[C@@H](c2ccccc2O)N1CCc1ccccc1 ZINC000057945736 563936073 /nfs/dbraw/zinc/93/60/73/563936073.db2.gz IAFYUPMSKNBHGC-OAQYLSRUSA-N 0 0 344.414 4.201 50 10 EICARN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@@H]21 ZINC000058929360 563947344 /nfs/dbraw/zinc/94/73/44/563947344.db2.gz CLXVLQZKEKFOOF-BWACUDIHSA-N 0 0 337.335 4.330 50 10 EICARN Cc1c([O-])c(C[N@H+]2CCC[C@@H](C)C2)cc2c3ccccc3c(=O)oc12 ZINC000005071563 563994220 /nfs/dbraw/zinc/99/42/20/563994220.db2.gz MXUUGTAPKAJVPF-CYBMUJFWSA-N 0 0 337.419 4.192 50 10 EICARN CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S ZINC000005123875 563994469 /nfs/dbraw/zinc/99/44/69/563994469.db2.gz CEYJLJDJBSSALE-LFIBNONCSA-N 0 0 341.457 4.097 50 10 EICARN CC(C)C[NH+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)CC(C)C ZINC000000122722 563995853 /nfs/dbraw/zinc/99/58/53/563995853.db2.gz NGXNLRWGXCVBNE-UHFFFAOYSA-N 0 0 343.467 4.101 50 10 aggregator,biogenic EICARN COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000004014991 564013775 /nfs/dbraw/zinc/01/37/75/564013775.db2.gz IQOPUMYKTMIJGV-WJDWOHSUSA-N 0 0 341.457 4.097 50 10 EICARN Cc1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)cc1Cl ZINC000005753954 564028848 /nfs/dbraw/zinc/02/88/48/564028848.db2.gz VPFKXIIFWQVKMS-UHFFFAOYSA-N 0 0 346.766 4.128 50 10 EICARN Cc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)o1 ZINC000012563060 564059645 /nfs/dbraw/zinc/05/96/45/564059645.db2.gz BIPAZPMRUCNMHX-UHFFFAOYSA-N 0 0 326.440 4.159 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c(C)c1 ZINC000001238015 564062505 /nfs/dbraw/zinc/06/25/05/564062505.db2.gz IHAZAXNPFDPNDA-GDNBJRDFSA-N 0 0 326.446 4.104 50 10 EICARN O=[N+]([O-])c1cc(CNc2ccc(Cl)cc2)ccc1N1CCCC1 ZINC000084414712 564068104 /nfs/dbraw/zinc/06/81/04/564068104.db2.gz XFPYBTIJFFFJLZ-UHFFFAOYSA-N 0 0 331.803 4.461 50 10 EICARN Cc1cc(C)nc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)n1 ZINC000001463139 564073122 /nfs/dbraw/zinc/07/31/22/564073122.db2.gz ZRYQMCACGDOGEV-SFHVURJKSA-N 0 0 346.390 4.142 50 10 EICARN CN(Cc1ccccc1O)C(=O)c1cc2ccccc2c2cccnc12 ZINC000053916264 564087469 /nfs/dbraw/zinc/08/74/69/564087469.db2.gz WTVADYXFSYKIEZ-UHFFFAOYSA-N 0 0 342.398 4.366 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccco1 ZINC000004292029 564093121 /nfs/dbraw/zinc/09/31/21/564093121.db2.gz ILDYUMFFTSEVHF-HNNXBMFYSA-N 0 0 338.388 4.038 50 10 EICARN Cc1ccc(C(=O)N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000002335519 564132392 /nfs/dbraw/zinc/13/23/92/564132392.db2.gz SSMJYKLXOPUOKX-PTNGSMBKSA-N 0 0 339.441 4.037 50 10 EICARN CCC(CC)C(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1O ZINC000095945154 564142165 /nfs/dbraw/zinc/14/21/65/564142165.db2.gz XEIZLXNMBWEWHR-INIZCTEOSA-N 0 0 326.396 4.099 50 10 EICARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1O ZINC000055451973 564149941 /nfs/dbraw/zinc/14/99/41/564149941.db2.gz UDZRDLJPDQSYKD-DHDCSXOGSA-N 0 0 326.783 4.160 50 10 EICARN COc1cc2c(cc1NCc1nc(C3CC3)no1)oc1ccccc12 ZINC000055828024 564150882 /nfs/dbraw/zinc/15/08/82/564150882.db2.gz QHZSYKDYTSQLOB-UHFFFAOYSA-N 0 0 335.363 4.467 50 10 EICARN Cc1cc(C(=O)CSC2=NCCS2)c(C)n1-c1ccc(F)cc1 ZINC000003257226 564156692 /nfs/dbraw/zinc/15/66/92/564156692.db2.gz TVVLOQRJYFBXPA-UHFFFAOYSA-N 0 0 348.468 4.252 50 10 EICARN Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 ZINC000010215389 564175117 /nfs/dbraw/zinc/17/51/17/564175117.db2.gz PULUYYLFTLPVFL-CTNGQTDRSA-N 0 0 343.386 4.030 50 10 EICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc[nH]c1=S ZINC000010309260 564175245 /nfs/dbraw/zinc/17/52/45/564175245.db2.gz QRPPDURTJVRWJN-UHFFFAOYSA-N 0 0 341.480 4.007 50 10 EICARN COc1cc(Br)cc(CNc2ccc(F)c(F)c2)c1O ZINC000004989387 1025121166 /nfs/dbraw/zinc/12/11/66/1025121166.db2.gz FSNXPSOIYIOKFP-UHFFFAOYSA-N 0 0 344.155 4.054 50 10 EICARN C[C@@H]1CCc2sc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2C1 ZINC000018150383 201993490 /nfs/dbraw/zinc/99/34/90/201993490.db2.gz NWJORPGLIWESSA-CQSZACIVSA-N 0 0 342.508 4.211 50 10 EICARN Cc1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)n1 ZINC000019842989 202024157 /nfs/dbraw/zinc/02/41/57/202024157.db2.gz JSLNGYONZXJHGQ-HXUWFJFHSA-N 0 0 342.402 4.240 50 10 EICARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000024761919 202120197 /nfs/dbraw/zinc/12/01/97/202120197.db2.gz DZTIQLJXMSJFME-RUJXFNLJSA-N 0 0 340.492 4.363 50 10 EICARN COc1cccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)c1 ZINC000027533638 202156626 /nfs/dbraw/zinc/15/66/26/202156626.db2.gz YCEYYERGUKZCSY-AYRRQIOMSA-N 0 0 343.429 4.250 50 10 EICARN CCOc1cc2ccccc2cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000028643291 202174241 /nfs/dbraw/zinc/17/42/41/202174241.db2.gz IHNMFAVAURVJGB-UHFFFAOYSA-N 0 0 348.446 4.235 50 10 EICARN CSc1ccc(Cl)c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000032722609 202230786 /nfs/dbraw/zinc/23/07/86/202230786.db2.gz FNUZXKIEJTXBKC-UHFFFAOYSA-N 0 0 348.899 4.400 50 10 EICARN Cc1cc(C(=O)NCCc2cccs2)c(C)n1-c1ccccc1F ZINC000032906355 202240458 /nfs/dbraw/zinc/24/04/58/202240458.db2.gz OZOLMAACBJGZSF-UHFFFAOYSA-N 0 0 342.439 4.267 50 10 EICARN COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2ccc(C)cn21 ZINC000035622045 202307521 /nfs/dbraw/zinc/30/75/21/202307521.db2.gz DYOLIXRFZJIVOD-UHFFFAOYSA-N 0 0 347.374 4.433 50 10 EICARN Cc1ccccc1NC1=NC(=O)C(=Cc2c(F)cccc2F)S1 ZINC000096663440 201378648 /nfs/dbraw/zinc/37/86/48/201378648.db2.gz FHAFBMXDMOBUHT-DHDCSXOGSA-N 0 0 330.359 4.356 50 10 EICARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2F)C3=O)cc1 ZINC000000265869 201455194 /nfs/dbraw/zinc/45/51/94/201455194.db2.gz CYCHPXOXAXUCBV-UHFFFAOYSA-N 0 0 348.333 4.001 50 10 EICARN Cc1ccccc1N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000001220087 201499891 /nfs/dbraw/zinc/49/98/91/201499891.db2.gz PPISYMCHLMMWJW-GDNBJRDFSA-N 0 0 327.430 4.106 50 10 EICARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000001505490 201510502 /nfs/dbraw/zinc/51/05/02/201510502.db2.gz PLCADXKCEUVCGJ-RVDMUPIBSA-N 0 0 327.430 4.101 50 10 EICARN CCC[C@H]1N=C(c2ccc(OCC)cc2)C[C@@H](c2ccccc2O)N1 ZINC000004729431 201614475 /nfs/dbraw/zinc/61/44/75/201614475.db2.gz NLERMTIZVJICSY-FPOVZHCZSA-N 0 0 338.451 4.441 50 10 EICARN O=C1[C@H](Cc2ccccc2Cl)SC(=S)N1c1ccccc1 ZINC000004539866 201605751 /nfs/dbraw/zinc/60/57/51/201605751.db2.gz PBJCLGPACINUQO-AWEZNQCLSA-N 0 0 333.865 4.316 50 10 EICARN C[C@@H](Nc1cc(-c2ccccc2F)nc2ccnn21)c1ccccc1O ZINC000072430605 203222720 /nfs/dbraw/zinc/22/27/20/203222720.db2.gz ZIVOKEPBRYWITI-CYBMUJFWSA-N 0 0 348.381 4.414 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1C ZINC000013284493 207377472 /nfs/dbraw/zinc/37/74/72/207377472.db2.gz PENYYSXFTHRKPP-DHDCSXOGSA-N 0 0 326.446 4.104 50 10 EICARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3ccc(Cl)cc3)C2=N)S1 ZINC000000121418 563234406 /nfs/dbraw/zinc/23/44/06/563234406.db2.gz JQOWGCOOHQFVBI-PEMMUPCOSA-N 0 0 346.843 4.005 50 10 EICARN COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OC(C)=O ZINC000000232241 563263762 /nfs/dbraw/zinc/26/37/62/563263762.db2.gz DYAKFUDISYROKZ-UHFFFAOYSA-N 0 0 334.375 4.310 50 10 biogenic EICARN O=C1/C(=C/c2ccccc2F)SC(=S)N1CCc1ccccc1 ZINC000001214515 563379564 /nfs/dbraw/zinc/37/95/64/563379564.db2.gz PLZVXXPJZKMOGG-VBKFSLOCSA-N 0 0 343.448 4.270 50 10 EICARN CCCCOc1ccccc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000002313551 563429443 /nfs/dbraw/zinc/42/94/43/563429443.db2.gz SYLOCITZTUCARR-SAPNQHFASA-N 0 0 344.480 4.322 50 10 EICARN Cc1cc2c(c(C)c1Cl)CN(c1ccc3c(c1)OCCO3)CO2 ZINC000006785871 563586543 /nfs/dbraw/zinc/58/65/43/563586543.db2.gz PHFUDUQMHRMFSC-UHFFFAOYSA-N 0 0 331.799 4.085 50 10 EICARN O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 ZINC000013124708 563689203 /nfs/dbraw/zinc/68/92/03/563689203.db2.gz HQTNORLBPXYIDS-HXUWFJFHSA-N 0 0 342.398 4.384 50 10 EICARN O=C1C=CC(=[NH+][N-]c2n[nH]c(-c3ccc(Br)cc3)n2)C=C1 ZINC000013125099 563689245 /nfs/dbraw/zinc/68/92/45/563689245.db2.gz SNQXAJCVPFECRN-HTXNQAPBSA-N 0 0 344.172 4.355 50 10 EICARN COc1cccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000013602623 563703546 /nfs/dbraw/zinc/70/35/46/563703546.db2.gz ZHEWBJYTKDICCZ-YVLHZVERSA-N 0 0 326.783 4.155 50 10 EICARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000015011084 563771869 /nfs/dbraw/zinc/77/18/69/563771869.db2.gz DMZKEVFLBRPYSW-WJDWOHSUSA-N 0 0 348.537 4.390 50 10 EICARN COc1ccccc1C=C1SC(Nc2cccc(C)c2C)=NC1=O ZINC000015746296 563791510 /nfs/dbraw/zinc/79/15/10/563791510.db2.gz PRYPLEXRSMYMIX-GZTJUZNOSA-N 0 0 338.432 4.394 50 10 EICARN CCCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000016114958 563804106 /nfs/dbraw/zinc/80/41/06/563804106.db2.gz BJONIZNMQMSNGM-GDNBJRDFSA-N 0 0 335.494 4.333 50 10 EICARN CC(C)CC1=NN2C(=NC(=O)/C(=C/c3ccc(Cl)cc3)C2=N)S1 ZINC000033286843 563972951 /nfs/dbraw/zinc/97/29/51/563972951.db2.gz JQOWGCOOHQFVBI-ZJMWYTODSA-N 0 0 346.843 4.005 50 10 EICARN COc1ccc(Cl)cc1/N=N/c1c(N)nn(-c2ccccc2)c1N ZINC000004834563 563984087 /nfs/dbraw/zinc/98/40/87/563984087.db2.gz JUNCJLNYAAGKJO-QZQOTICOSA-N 0 0 342.790 4.114 50 10 EICARN CCCC1=NN2C(=NC(=O)/C(=C\c3cccc4ccccc34)C2=N)S1 ZINC000000107012 563986500 /nfs/dbraw/zinc/98/65/00/563986500.db2.gz RUOBDXCBLDSREI-ZRSPDKKLSA-N 0 0 348.431 4.259 50 10 EICARN Cc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1 ZINC000004942488 563993056 /nfs/dbraw/zinc/99/30/56/563993056.db2.gz USFYBSWUKOXCMI-GOSISDBHSA-N 0 0 346.386 4.285 50 10 EICARN Cc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1 ZINC000004942487 563993059 /nfs/dbraw/zinc/99/30/59/563993059.db2.gz USFYBSWUKOXCMI-SFHVURJKSA-N 0 0 346.386 4.285 50 10 EICARN Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000005025297 563993845 /nfs/dbraw/zinc/99/38/45/563993845.db2.gz SSMJYKLXOPUOKX-RVDMUPIBSA-N 0 0 339.441 4.037 50 10 EICARN CCc1nc2c3ccccc3oc2c(NCCc2ccc(O)c(O)c2)n1 ZINC000005252426 564001579 /nfs/dbraw/zinc/00/15/79/564001579.db2.gz YZIUJXRFWWWBMY-UHFFFAOYSA-N 0 0 349.390 4.004 50 10 EICARN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccccc2OC)cc1 ZINC000017743781 564012899 /nfs/dbraw/zinc/01/28/99/564012899.db2.gz NHOKJMMIXJULJZ-UHFFFAOYSA-N 0 0 341.455 4.205 50 10 EICARN Oc1ccccc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000003155992 564013586 /nfs/dbraw/zinc/01/35/86/564013586.db2.gz SWOXBVSWEIYAMV-CYBMUJFWSA-N 0 0 325.220 4.396 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000017373677 564024934 /nfs/dbraw/zinc/02/49/34/564024934.db2.gz OWNHXUOXVIGEPW-WJDWOHSUSA-N 0 0 341.457 4.097 50 10 EICARN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000105363813 564025103 /nfs/dbraw/zinc/02/51/03/564025103.db2.gz YKGOQTCBFWJBPT-SDNWHVSQSA-N 0 0 338.392 4.114 50 10 EICARN Cc1c(C)c(C)c(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)c1C ZINC000075253264 564086238 /nfs/dbraw/zinc/08/62/38/564086238.db2.gz PERVBNBJXTVSKV-UHFFFAOYSA-N 0 0 342.435 4.373 50 10 EICARN Cc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000006451195 564087757 /nfs/dbraw/zinc/08/77/57/564087757.db2.gz FHTYCCIKEYRYBE-ABKXIKBNSA-N 0 0 328.437 4.316 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccccc1O ZINC000007616079 564121023 /nfs/dbraw/zinc/12/10/23/564121023.db2.gz VRNUIHLFWQYVQY-AWEZNQCLSA-N 0 0 338.388 4.038 50 10 EICARN CC(=O)c1ccc(NC=C2C(C)=NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000095481265 564141578 /nfs/dbraw/zinc/14/15/78/564141578.db2.gz GJHUXNNOWZPJNQ-UDWIEESQSA-N 0 0 347.418 4.225 50 10 EICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000003435745 564158135 /nfs/dbraw/zinc/15/81/35/564158135.db2.gz XCYCNDLXJOFOPH-UHFFFAOYSA-N 0 0 334.375 4.075 50 10 EICARN CC(=O)c1c2ccc3ccccc3n2c2c1C(=O)c1ccccc1C2=O ZINC000004151290 564160951 /nfs/dbraw/zinc/16/09/51/564160951.db2.gz HMKAZDJFCWCSRO-UHFFFAOYSA-N 0 0 339.350 4.071 50 10 EICARN CN(Cc1ccccc1O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000067355639 564165745 /nfs/dbraw/zinc/16/57/45/564165745.db2.gz LIWKMOCMYBLPMH-UHFFFAOYSA-N 0 0 338.379 4.371 50 10 EICARN O=C1/C(=C/c2ccccn2)SC(=S)N1c1cccc(Cl)c1 ZINC000008642631 564166165 /nfs/dbraw/zinc/16/61/65/564166165.db2.gz WMKXWYSTGKYXQZ-LCYFTJDESA-N 0 0 332.837 4.141 50 10 EICARN COc1ccccc1-n1c(C)cc(CNC(=O)Nc2ccccc2)c1C ZINC000009228864 564171568 /nfs/dbraw/zinc/17/15/68/564171568.db2.gz BOWXWDMKJACIMM-UHFFFAOYSA-N 0 0 349.434 4.424 50 10 EICARN Nc1c(Cl)cc2c(c1Oc1ccccc1)C(=O)c1ccccc1C2=O ZINC000004030873 1022817350 /nfs/dbraw/zinc/81/73/50/1022817350.db2.gz FHQOKPLYBWEGCB-UHFFFAOYSA-N 0 0 349.773 4.490 50 10 EICARN Cc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 ZINC000013648665 201905845 /nfs/dbraw/zinc/90/58/45/201905845.db2.gz PXTORXBVHPUUBY-DHDCSXOGSA-N 0 0 327.430 4.106 50 10 EICARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1Cc1ccco1 ZINC000013942647 201921099 /nfs/dbraw/zinc/92/10/99/201921099.db2.gz OUXUMLLSTAUKEE-JYRVWZFOSA-N 0 0 335.837 4.334 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OC(F)F)c1 ZINC000015906726 201968729 /nfs/dbraw/zinc/96/87/29/201968729.db2.gz BXIQHBDGHWGOEC-WJDWOHSUSA-N 0 0 328.318 4.094 50 10 EICARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccnc3)c(O)c2n1 ZINC000019799993 202022656 /nfs/dbraw/zinc/02/26/56/202022656.db2.gz OFMIIQLTLSPRQI-IBGZPJMESA-N 0 0 342.402 4.240 50 10 EICARN CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3O)=NN21 ZINC000020070563 202032080 /nfs/dbraw/zinc/03/20/80/202032080.db2.gz FRPBVKHZXZXUAP-VQIMIIECSA-N 0 0 340.448 4.015 50 10 EICARN O=C1N=C(NCc2ccccc2)SC1=Cc1ccc(Cl)cc1 ZINC000027515453 202156479 /nfs/dbraw/zinc/15/64/79/202156479.db2.gz CLAFIVNSSVOTSP-XNTDXEJSSA-N 0 0 328.824 4.100 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(C)c1 ZINC000001101023 201498812 /nfs/dbraw/zinc/49/88/12/201498812.db2.gz AXDJHUQXUIUHSV-HMMYKYKNSA-N 0 0 345.446 4.401 50 10 EICARN COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000006469151 201682574 /nfs/dbraw/zinc/68/25/74/201682574.db2.gz FSPZVTJCMUFTQW-XXFAHNHDSA-N 0 0 344.436 4.016 50 10 EICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc3c2OCCO3)cc1 ZINC000089652270 203584963 /nfs/dbraw/zinc/58/49/63/203584963.db2.gz HVZDRFXBLBOBIC-UHFFFAOYSA-N 0 0 348.402 4.118 50 10 EICARN CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 ZINC000012524388 211397148 /nfs/dbraw/zinc/39/71/48/211397148.db2.gz CMYHEUXOUNUQGH-CPNJWEJPSA-N 0 0 329.403 4.467 50 10 EICARN Cc1ccc(C)c(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000012629927 207181780 /nfs/dbraw/zinc/18/17/80/207181780.db2.gz ZDVFRIIVZKEMAD-UHFFFAOYSA-N 0 0 347.390 4.189 50 10 EICARN O=C1c2ccccc2C(=O)C1(Br)c1ccc(Cl)cc1 ZINC000000122645 563235477 /nfs/dbraw/zinc/23/54/77/563235477.db2.gz XQPKEDHGRZYRNU-UHFFFAOYSA-N 0 0 335.584 4.009 50 10 EICARN CCOC(=O)c1cc(-n2c(C)ccc2C)ccc1N1CCCCC1 ZINC000000146435 563244473 /nfs/dbraw/zinc/24/44/73/563244473.db2.gz QGZDNEXSCADGHI-UHFFFAOYSA-N 0 0 326.440 4.261 50 10 EICARN CCN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)SC1=S ZINC000001163212 563376667 /nfs/dbraw/zinc/37/66/67/563376667.db2.gz ZEMOARRRMKISEC-DHDCSXOGSA-N 0 0 335.494 4.348 50 10 EICARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000002302243 563428814 /nfs/dbraw/zinc/42/88/14/563428814.db2.gz POKVGKJDASKTQX-OJNRTJSBSA-N 0 0 334.510 4.499 50 10 EICARN O=C(c1ccco1)N(Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000004840308 563512867 /nfs/dbraw/zinc/51/28/67/563512867.db2.gz QAAYSLSBWJJBOU-UHFFFAOYSA-N 0 0 327.767 4.486 50 10 EICARN CCN(CC)c1ccc([C@@H]2NN=C(Cc3ccccc3)S2)cc1 ZINC000005017843 563518960 /nfs/dbraw/zinc/51/89/60/563518960.db2.gz PWELDLZPOZTROS-LJQANCHMSA-N 0 0 325.481 4.424 50 10 EICARN Cc1cc(=O)oc2c1=CC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)C=2 ZINC000005276954 563525203 /nfs/dbraw/zinc/52/52/03/563525203.db2.gz YUNIGOYUKSLAPE-ISLYRVAYSA-N 0 0 325.280 4.131 50 10 EICARN O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 ZINC000013124709 563689212 /nfs/dbraw/zinc/68/92/12/563689212.db2.gz HQTNORLBPXYIDS-FQEVSTJZSA-N 0 0 342.398 4.384 50 10 EICARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1cccc(F)c1 ZINC000013712712 563715244 /nfs/dbraw/zinc/71/52/44/563715244.db2.gz VRXKMTDYPRIECO-ZSOIEALJSA-N 0 0 333.384 4.371 50 10 EICARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000013785557 563723247 /nfs/dbraw/zinc/72/32/47/563723247.db2.gz JFNZQSOKUSBKRP-SXGWCWSVSA-N 0 0 342.489 4.200 50 10 EICARN CCOc1cccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O ZINC000015016523 563772707 /nfs/dbraw/zinc/77/27/07/563772707.db2.gz CEHOGVKDYXRPES-WJDWOHSUSA-N 0 0 339.416 4.160 50 10 EICARN CCOc1cccc(CNc2ccc(OC(F)(F)F)cc2)c1O ZINC000044836424 563926764 /nfs/dbraw/zinc/92/67/64/563926764.db2.gz BGGSTCMOMGTXRR-UHFFFAOYSA-N 0 0 327.302 4.302 50 10 EICARN CCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000058196720 563939550 /nfs/dbraw/zinc/93/95/50/563939550.db2.gz UTDBPRJPWVZQEI-OAQYLSRUSA-N 0 0 335.451 4.013 50 10 EICARN O=[N+]([O-])c1cc(F)ccc1Nc1ccc(NC2CCOCC2)cc1 ZINC000058289797 563941749 /nfs/dbraw/zinc/94/17/49/563941749.db2.gz YQAANLPNPPQCNO-UHFFFAOYSA-N 0 0 331.347 4.068 50 10 EICARN CN1CCCc2cc(CNC(=O)Cc3ccc4ccccc4c3)ccc21 ZINC000058768987 563947140 /nfs/dbraw/zinc/94/71/40/563947140.db2.gz NLOMZXRHLULQSC-UHFFFAOYSA-N 0 0 344.458 4.081 50 10 EICARN O=C1NC(=S)S/C1=C\c1c2ccccc2[nH]c1-c1ccccc1 ZINC000004713689 563965995 /nfs/dbraw/zinc/96/59/95/563965995.db2.gz HGGBOQNUNSXPOZ-GDNBJRDFSA-N 0 0 336.441 4.324 50 10 EICARN Cc1oc2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc1-2 ZINC000004785624 563974517 /nfs/dbraw/zinc/97/45/17/563974517.db2.gz LYTUULBNMPEELR-UHFFFAOYSA-N 0 0 330.339 4.173 50 10 aggregator EICARN CCCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O ZINC000033385804 563983126 /nfs/dbraw/zinc/98/31/26/563983126.db2.gz LATXBSXPJNWJMM-LGMDPLHJSA-N 0 0 344.480 4.178 50 10 EICARN CCCC(=O)N[C@@H](c1ccc(C)cc1)c1ccc2cccnc2c1O ZINC000000102661 563984100 /nfs/dbraw/zinc/98/41/00/563984100.db2.gz YLHAGZFGLRYNET-IBGZPJMESA-N 0 0 334.419 4.255 50 10 EICARN CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000000186990 563988037 /nfs/dbraw/zinc/98/80/37/563988037.db2.gz LAIQSHPBBDZDBR-HKWRFOASSA-N 0 0 333.435 4.339 50 10 EICARN CCCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@@H]1CC ZINC000005046710 563994057 /nfs/dbraw/zinc/99/40/57/563994057.db2.gz LCSSFBMCLVEOCG-HNNXBMFYSA-N 0 0 329.440 4.216 50 10 EICARN Cn1cccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000005156733 563995104 /nfs/dbraw/zinc/99/51/04/563995104.db2.gz KQYFBVNRWKFVRW-LCYFTJDESA-N 0 0 334.853 4.084 50 10 EICARN O=C1/C(=C\c2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000005201179 564000535 /nfs/dbraw/zinc/00/05/35/564000535.db2.gz BMWUJJCUJVFJDF-GXDHUFHOSA-N 0 0 342.401 4.001 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(C)c1 ZINC000100980256 564017159 /nfs/dbraw/zinc/01/71/59/564017159.db2.gz CBLOQKHGVSSTBY-BOPFTXTBSA-N 0 0 325.799 4.367 50 10 EICARN Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000005711227 564020710 /nfs/dbraw/zinc/02/07/10/564020710.db2.gz GZEPKDBTYZFKQC-UHFFFAOYSA-N 0 0 349.789 4.023 50 10 EICARN Nc1c2ccc(-c3ccco3)nc2sc1C(=O)Oc1ccccc1 ZINC000000521181 564021017 /nfs/dbraw/zinc/02/10/17/564021017.db2.gz XZGCUBOXTHOJAV-UHFFFAOYSA-N 0 0 336.372 4.358 50 10 EICARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Cc1ccccc1 ZINC000015636902 564024290 /nfs/dbraw/zinc/02/42/90/564024290.db2.gz MUUILCQFINAZTE-XNTDXEJSSA-N 0 0 329.421 4.227 50 10 EICARN CC(C)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000005880947 564056797 /nfs/dbraw/zinc/05/67/97/564056797.db2.gz QNRDWJKEQQIQND-PDICVPPASA-N 0 0 331.462 4.004 50 10 EICARN CCc1cccc(CC)c1NC(=S)NN=c1[nH]c2ccccc2[nH]1 ZINC000012658906 564062488 /nfs/dbraw/zinc/06/24/88/564062488.db2.gz VLHDPVFFDIQSQT-UHFFFAOYSA-N 0 0 339.468 4.001 50 10 EICARN Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 ZINC000005004974 564070573 /nfs/dbraw/zinc/07/05/73/564070573.db2.gz RLTMPBXZVBUCBB-RVDMUPIBSA-N 0 0 339.441 4.037 50 10 EICARN CC(C)(C)c1ccc2c(c1)C(=O)c1c(O)c3ccccc3c(O)c1C2=O ZINC000075284153 564081593 /nfs/dbraw/zinc/08/15/93/564081593.db2.gz NXHUPOXIQJUYOV-UHFFFAOYSA-N 0 0 346.382 4.324 50 10 EICARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccco3)cc1)CC[C@@H](C)C2 ZINC000006877937 564100408 /nfs/dbraw/zinc/10/04/08/564100408.db2.gz RLSOQXGMSDLUTR-OAHLLOKOSA-N 0 0 348.446 4.434 50 10 EICARN CC[C@H](C)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000006355986 564117392 /nfs/dbraw/zinc/11/73/92/564117392.db2.gz PKZKEIRENKXBOJ-GPILYODUSA-N 0 0 331.462 4.005 50 10 EICARN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c(C)[nH]c2ccccc21 ZINC000040070082 564167916 /nfs/dbraw/zinc/16/79/16/564167916.db2.gz KMWLEWPIEOMGQG-UHFFFAOYSA-N 0 0 349.478 4.134 50 10 EICARN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc(Cl)cc1 ZINC000016995225 201983190 /nfs/dbraw/zinc/98/31/90/201983190.db2.gz IRXTVNABOZORQL-NTEUORMPSA-N 0 0 330.796 4.128 50 10 EICARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccnc3)c(O)c2n1 ZINC000019799995 202021748 /nfs/dbraw/zinc/02/17/48/202021748.db2.gz OFMIIQLTLSPRQI-LJQANCHMSA-N 0 0 342.402 4.240 50 10 EICARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1-c1ccccc1Cl ZINC000019884312 202025414 /nfs/dbraw/zinc/02/54/14/202025414.db2.gz UNOVPCUMEUXBHM-UHFFFAOYSA-N 0 0 343.810 4.189 50 10 EICARN O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])c(C[NH2+]C3CC3)c2o1 ZINC000020590893 202050090 /nfs/dbraw/zinc/05/00/90/202050090.db2.gz XRWJLEDGCISFJE-UHFFFAOYSA-N 0 0 341.794 4.071 50 10 EICARN Oc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1O ZINC000021908649 202074174 /nfs/dbraw/zinc/07/41/74/202074174.db2.gz NFCCYWRTNZHHOH-UHFFFAOYSA-N 0 0 340.429 4.422 50 10 EICARN Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000033026900 202247758 /nfs/dbraw/zinc/24/77/58/202247758.db2.gz PRVVTWAHPIUCAJ-UHFFFAOYSA-N 0 0 334.394 4.436 50 10 EICARN c1nc(SC[C@H]2CCCO2)n(C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000054774264 202674197 /nfs/dbraw/zinc/67/41/97/202674197.db2.gz KSGKQZFUZYVEAW-DLBZAZTESA-N 0 0 344.480 4.000 50 10 EICARN CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc32)c2cc(O)c(O)cc21 ZINC000000045127 201426641 /nfs/dbraw/zinc/42/66/41/201426641.db2.gz POFMQEVZKZVAPQ-UHFFFAOYSA-N 0 0 340.419 4.158 50 10 biogenic EICARN Cc1ccc(O)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000001181644 201499763 /nfs/dbraw/zinc/49/97/63/201499763.db2.gz XBBZQMSEPFSQMM-MHWRWJLKSA-N 0 0 341.457 4.102 50 10 EICARN O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001757371 201519880 /nfs/dbraw/zinc/51/98/80/201519880.db2.gz JDDKAACSYQJFJN-NTEUORMPSA-N 0 0 347.848 4.451 50 10 EICARN CCCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000005927189 201667844 /nfs/dbraw/zinc/66/78/44/201667844.db2.gz MEHHEVQVSCOIPK-NTCAYCPXSA-N 0 0 334.510 4.144 50 10 EICARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 ZINC000006603965 201686686 /nfs/dbraw/zinc/68/66/86/201686686.db2.gz IJAPEORMUPRGSM-MGPLVRAMSA-N 0 0 328.437 4.398 50 10 EICARN Nc1ccc(Oc2ccc(CC[C@@H]3COc4ccccc4O3)cc2)nc1 ZINC000244817164 243088499 /nfs/dbraw/zinc/08/84/99/243088499.db2.gz SVHMYFVLFYHPNP-GOSISDBHSA-N 0 0 348.402 4.229 50 10 EICARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCc1cccs1 ZINC000100111173 203989921 /nfs/dbraw/zinc/98/99/21/203989921.db2.gz AFVAYYZZCVNVKR-FOWTUZBSSA-N 0 0 343.427 4.064 50 10 EICARN [O-]c1ccc2c(-c3ccc(F)cc3)noc2c1C[NH+]1CCCCC1 ZINC000041511093 204044077 /nfs/dbraw/zinc/04/40/77/204044077.db2.gz PPIVGNMWQPPTAH-UHFFFAOYSA-N 0 0 326.371 4.325 50 10 EICARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccco1 ZINC000102907263 206417953 /nfs/dbraw/zinc/41/79/53/206417953.db2.gz SFZXNFZLZIAUPV-OXQOHEQNSA-N 0 0 332.359 4.228 50 10 EICARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccccn2)c1 ZINC000010052238 211144599 /nfs/dbraw/zinc/14/45/99/211144599.db2.gz FXEMXPFLTUSTQE-UHFFFAOYSA-N 0 0 339.826 4.073 50 10 EICARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)c(C)c1 ZINC000000189696 563255951 /nfs/dbraw/zinc/25/59/51/563255951.db2.gz MECMFNMYRLUUAD-UHFFFAOYSA-N 0 0 341.432 4.271 50 10 EICARN COc1ccc(OC)c(C2=C/C(=C/c3cccc(Cl)c3)C(=O)O2)c1 ZINC000000200035 563258746 /nfs/dbraw/zinc/25/87/46/563258746.db2.gz XNCBCGACSXPHEU-JYRVWZFOSA-N 0 0 342.778 4.339 50 10 EICARN CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1ccccc1 ZINC000000541891 563344203 /nfs/dbraw/zinc/34/42/03/563344203.db2.gz GPUOZDCQOFBPIR-FQEVSTJZSA-N 0 0 330.387 4.243 50 10 EICARN O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccc2ccccc21 ZINC000000575946 563350807 /nfs/dbraw/zinc/35/08/07/563350807.db2.gz JLCBNJAVTYPOHV-UHFFFAOYSA-N 0 0 349.411 4.499 50 10 EICARN COc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 ZINC000001086524 563374234 /nfs/dbraw/zinc/37/42/34/563374234.db2.gz QSAZCUBNGCJWPS-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 ZINC000001214238 563379569 /nfs/dbraw/zinc/37/95/69/563379569.db2.gz HVBAAFLVYDBWPY-GDNBJRDFSA-N 0 0 327.430 4.106 50 10 EICARN CCN(CC)c1ccc(C(O)c2ccc(N(CC)CC)cc2)cc1 ZINC000001847731 563414293 /nfs/dbraw/zinc/41/42/93/563414293.db2.gz WCIQBUVXZZYFJP-UHFFFAOYSA-N 0 0 326.484 4.461 50 10 EICARN CCCCCc1c(O)n2c3ccccc3c(-c3ccccc3)cn2c1=O ZINC000002038936 563419049 /nfs/dbraw/zinc/41/90/49/563419049.db2.gz KATBVKFXGKGUFE-GOSISDBHSA-N 0 0 346.430 4.376 50 10 in-man EICARN CCCCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000002314398 563429469 /nfs/dbraw/zinc/42/94/69/563429469.db2.gz FMFCUKOLCOUSFY-SAPNQHFASA-N 0 0 344.480 4.322 50 10 EICARN CC(C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000002697657 563446288 /nfs/dbraw/zinc/44/62/88/563446288.db2.gz FEYZQHOOFUPBBX-XFFZJAGNSA-N 0 0 342.283 4.059 50 10 EICARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000004064221 563492993 /nfs/dbraw/zinc/49/29/93/563492993.db2.gz ANYHUMGSIBVUBF-YVLHZVERSA-N 0 0 340.448 4.377 50 10 EICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000008741491 563638828 /nfs/dbraw/zinc/63/88/28/563638828.db2.gz ODDXHLLFCMFKSX-AUWJEWJLSA-N 0 0 332.812 4.071 50 10 EICARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000013123096 563689198 /nfs/dbraw/zinc/68/91/98/563689198.db2.gz XLFXQHPJWVECAI-QJMZJAKPSA-N 0 0 326.446 4.044 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000013575901 563702577 /nfs/dbraw/zinc/70/25/77/563702577.db2.gz NFANMZMVXGDSLD-YBEGLDIGSA-N 0 0 329.762 4.198 50 10 EICARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013800611 563723664 /nfs/dbraw/zinc/72/36/64/563723664.db2.gz HVWJNOOJGKPXAC-DHDCSXOGSA-N 0 0 346.839 4.414 50 10 EICARN Cc1cccc(COc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000013899570 563729049 /nfs/dbraw/zinc/72/90/49/563729049.db2.gz PZRKFHROQASFGL-YBEGLDIGSA-N 0 0 341.457 4.063 50 10 EICARN Cc1ccccc1COc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000015856495 563796231 /nfs/dbraw/zinc/79/62/31/563796231.db2.gz SOBWJAMALJCSBS-MHWRWJLKSA-N 0 0 341.457 4.063 50 10 EICARN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccccc1Cl ZINC000016904720 563825785 /nfs/dbraw/zinc/82/57/85/563825785.db2.gz YZLLRDXISMLWFO-ZROIWOOFSA-N 0 0 330.796 4.128 50 10 EICARN CCOc1cccc(CNc2cc(Cl)c(OC)cc2OC)c1O ZINC000044836432 563926766 /nfs/dbraw/zinc/92/67/66/563926766.db2.gz NYBHATLZCOZADU-UHFFFAOYSA-N 0 0 337.803 4.074 50 10 EICARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013562259 563930136 /nfs/dbraw/zinc/93/01/36/563930136.db2.gz ZJRRXSHPDQPRCB-RKVPGOIHSA-N 0 0 337.335 4.330 50 10 EICARN O=C1c2ccccc2N[C@H](c2ccccc2O)N1CCc1ccccc1 ZINC000057945741 563936097 /nfs/dbraw/zinc/93/60/97/563936097.db2.gz IAFYUPMSKNBHGC-NRFANRHFSA-N 0 0 344.414 4.201 50 10 EICARN CCCCc1nc2sc(C(=O)OCC)c(N)c2c2c1CCCC2 ZINC000004785740 563974498 /nfs/dbraw/zinc/97/44/98/563974498.db2.gz RCOOVAZTLDLBNY-UHFFFAOYSA-N 0 0 332.469 4.277 50 10 EICARN COc1ccc(OC)c(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)c1 ZINC000000200008 563988318 /nfs/dbraw/zinc/98/83/18/563988318.db2.gz IYOZEYXWVYRPSE-LCYFTJDESA-N 0 0 342.778 4.339 50 10 EICARN CC(C)CCOC(=O)c1ccc2c3c1noc3-c1ccccc1C2=O ZINC000000262411 563989735 /nfs/dbraw/zinc/98/97/35/563989735.db2.gz SNAPMRRAECSYHS-UHFFFAOYSA-N 0 0 335.359 4.242 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccccc2O)C[C@H]1c1ccco1 ZINC000011692685 563991072 /nfs/dbraw/zinc/99/10/72/563991072.db2.gz IQGWRHCCSNMNJV-AWEZNQCLSA-N 0 0 338.388 4.038 50 10 EICARN CCOc1ccccc1NC1=NC(=O)C(=Cc2ccc(F)cc2)S1 ZINC000004869760 563992163 /nfs/dbraw/zinc/99/21/63/563992163.db2.gz CPCHEBQLWJWTFI-LFIBNONCSA-N 0 0 342.395 4.307 50 10 EICARN O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@H]1c1cccs1 ZINC000004942495 563993141 /nfs/dbraw/zinc/99/31/41/563993141.db2.gz KONTWVNJNFSLAV-AWEZNQCLSA-N 0 0 338.388 4.038 50 10 EICARN CCCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O ZINC000000092418 563996564 /nfs/dbraw/zinc/99/65/64/563996564.db2.gz NULFGCQPRNHAOM-INIZCTEOSA-N 0 0 344.798 4.193 50 10 EICARN Cc1cc(C(=O)OCc2c(C)noc2C)c(C)n1-c1cccc(C)c1 ZINC000005688302 564018839 /nfs/dbraw/zinc/01/88/39/564018839.db2.gz GKIKETYSBAZNOR-UHFFFAOYSA-N 0 0 338.407 4.364 50 10 EICARN CCOc1cccc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1O ZINC000006720917 564033402 /nfs/dbraw/zinc/03/34/02/564033402.db2.gz PEUBDMYFRDYVGN-HXUWFJFHSA-N 0 0 335.407 4.244 50 10 EICARN CCCCn1c(C)c2c(c1C)C=CC(=C1SC(=S)NC1=O)C=C2 ZINC000685944490 564051409 /nfs/dbraw/zinc/05/14/09/564051409.db2.gz RPMNVHMGJKVTQR-UHFFFAOYSA-N 0 0 344.505 4.347 50 10 EICARN COc1ccccc1/C=C1/SC(=S)N(c2ccc(F)cc2)C1=O ZINC000001196322 564056375 /nfs/dbraw/zinc/05/63/75/564056375.db2.gz BYPKVIFGBMNLCQ-XNTDXEJSSA-N 0 0 345.420 4.240 50 10 EICARN CCCC[NH+](CCCC)Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3 ZINC000001780046 564057513 /nfs/dbraw/zinc/05/75/13/564057513.db2.gz CGVJGBMMZOCHCU-UHFFFAOYSA-N 0 0 343.467 4.390 50 10 biogenic EICARN Cc1cccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n21 ZINC000003909777 564060346 /nfs/dbraw/zinc/06/03/46/564060346.db2.gz VHYZVYWNMRZJFN-UHFFFAOYSA-N 0 0 333.347 4.375 50 10 EICARN O=C1c2ccccc2-c2nnc(-c3cccc(C(F)(F)F)c3)cc21 ZINC000001383077 564064077 /nfs/dbraw/zinc/06/40/77/564064077.db2.gz CNDITQVEPOHLRX-UHFFFAOYSA-N 0 0 326.277 4.374 50 10 EICARN O=C(NCCCSc1nccs1)Nc1ccc(F)cc1Cl ZINC000075109145 564080259 /nfs/dbraw/zinc/08/02/59/564080259.db2.gz HQQQQSOHLGQQFY-UHFFFAOYSA-N 0 0 345.852 4.240 50 10 EICARN CC1(C)Oc2ccccc2[C@@H]2CC(c3cc(Cl)ccc3O)=NN21 ZINC000006721849 564096389 /nfs/dbraw/zinc/09/63/89/564096389.db2.gz AMKAQXHHPNEWTJ-HNNXBMFYSA-N 0 0 328.799 4.325 50 10 EICARN Cc1cc(C(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1 ZINC000006780850 564097584 /nfs/dbraw/zinc/09/75/84/564097584.db2.gz KPLRBJPKOGROFM-UHFFFAOYSA-N 0 0 336.366 4.055 50 10 EICARN Cc1cc(CNC(=O)/C=C/c2cc(C)n(-c3ccc(C)cc3)c2C)on1 ZINC000064942689 564098182 /nfs/dbraw/zinc/09/81/82/564098182.db2.gz GPROAYSZMWUBRW-JXMROGBWSA-N 0 0 349.434 4.029 50 10 EICARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccs2)cc1 ZINC000006804316 564098326 /nfs/dbraw/zinc/09/83/26/564098326.db2.gz NDWZSXZYNZPXED-UHFFFAOYSA-N 0 0 340.448 4.250 50 10 EICARN Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1ccccc1O ZINC000078745954 564137072 /nfs/dbraw/zinc/13/70/72/564137072.db2.gz FZOGNUFJKZCDJO-UHFFFAOYSA-N 0 0 332.403 4.035 50 10 EICARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CNc1ccccc1 ZINC000003023853 564154466 /nfs/dbraw/zinc/15/44/66/564154466.db2.gz GQHBTSIEOWHLNI-GDNBJRDFSA-N 0 0 344.436 4.097 50 10 EICARN Cc1cc(CNC(=O)NCCC(C)C)c(C)n1-c1cccc(C)c1 ZINC000009228783 564171537 /nfs/dbraw/zinc/17/15/37/564171537.db2.gz BPIOFCHOANLVHG-UHFFFAOYSA-N 0 0 327.472 4.248 50 10 EICARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 ZINC000000802457 1025485914 /nfs/dbraw/zinc/48/59/14/1025485914.db2.gz QOJLCDHPSFFGKY-IGCXYCKISA-N 0 0 340.810 4.348 50 10 EICARN Cc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)c(C)c1 ZINC000005899155 1035452054 /nfs/dbraw/zinc/45/20/54/1035452054.db2.gz IHAZAXNPFDPNDA-XNTDXEJSSA-N 0 0 326.446 4.104 50 10 EICARN O=C(/C=C\C(=O)N1CCCC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254764718 1035996033 /nfs/dbraw/zinc/99/60/33/1035996033.db2.gz NSSNSDCHPYOYPG-PRYVEPBZSA-N 0 0 348.406 4.219 50 10 EICARN CCNc1ccc(N=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000253982884 1037283938 /nfs/dbraw/zinc/28/39/38/1037283938.db2.gz KMEDWEBXYFFHFO-UHFFFAOYSA-N 0 0 335.411 4.332 50 10 EICARN Clc1ccc2oc(/C=C\c3ccc(N4CCOCC4)cc3)nc2c1 ZINC000096792088 1039368835 /nfs/dbraw/zinc/36/88/35/1039368835.db2.gz UQQWZFQCHUSDFE-BAQGIRSFSA-N 0 0 340.810 4.488 50 10 EICARN Cc1ccc(C)n1-c1ncc(Br)c(C)c1Br ZINC000230552795 1056368601 /nfs/dbraw/zinc/36/86/01/1056368601.db2.gz OGBILJNDBLXFFT-UHFFFAOYSA-N 0 0 344.050 4.323 50 10 EICARN Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000001416407 209743421 /nfs/dbraw/zinc/74/34/21/209743421.db2.gz DCRFURASZKACAP-GDNBJRDFSA-N 0 0 327.430 4.106 50 10 EICARN Cc1c(C)c2cc(Cl)c([O-])c(C[N@H+]3CCC[C@H](C)C3)c2oc1=O ZINC000020292566 202036637 /nfs/dbraw/zinc/03/66/37/202036637.db2.gz CSECEVUEOJVQDB-JTQLQIEISA-N 0 0 335.831 4.001 50 10 EICARN Cc1cc(C(=O)NCCc2cccc(F)c2)c(C)n1-c1ccccc1 ZINC000024319870 202114603 /nfs/dbraw/zinc/11/46/03/202114603.db2.gz TWNZRIFZHBUJRE-UHFFFAOYSA-N 0 0 336.410 4.206 50 10 EICARN CN(C)c1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)cc1 ZINC000028286832 202169410 /nfs/dbraw/zinc/16/94/10/202169410.db2.gz KNTAVQNDDXVOAH-UHFFFAOYSA-N 0 0 346.434 4.386 50 10 EICARN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(Cl)c1 ZINC000031091170 202202691 /nfs/dbraw/zinc/20/26/91/202202691.db2.gz CHUVDHBLBWWXQA-UHFFFAOYSA-N 0 0 329.831 4.262 50 10 EICARN COCSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000032724160 202230994 /nfs/dbraw/zinc/23/09/94/202230994.db2.gz JSUODSZVABWJAH-UHFFFAOYSA-N 0 0 328.412 4.434 50 10 EICARN O=C1OC(c2ccccc2)=C/C1=C\c1ccc(Br)s1 ZINC000036245348 202319701 /nfs/dbraw/zinc/31/97/01/202319701.db2.gz WHIACMWWTUZRTG-DHZHZOJOSA-N 0 0 333.206 4.492 50 10 EICARN CC(=O)N[C@@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O ZINC000000087266 201432010 /nfs/dbraw/zinc/43/20/10/201432010.db2.gz NTUQQFGFRQITLD-KRWDZBQOSA-N 0 0 340.810 4.128 50 10 EICARN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1OC ZINC000000084114 201432098 /nfs/dbraw/zinc/43/20/98/201432098.db2.gz BWKOAPAYUHUBQZ-NTEUORMPSA-N 0 0 342.778 4.339 50 10 EICARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)-c2ccccc2C3=O)cc1 ZINC000000546334 201485320 /nfs/dbraw/zinc/48/53/20/201485320.db2.gz APKWBXPHBPJINB-UHFFFAOYSA-N 0 0 343.382 4.480 50 10 EICARN O=C1/C(=C/c2cccs2)SC(=S)N1CCc1ccccc1 ZINC000001009403 201495914 /nfs/dbraw/zinc/49/59/14/201495914.db2.gz LAEQRWPPVPGVRK-KAMYIIQDSA-N 0 0 331.487 4.192 50 10 EICARN Cc1ccccc1NCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001030531 201496640 /nfs/dbraw/zinc/49/66/40/201496640.db2.gz WFZWGDUJPRAASZ-ZROIWOOFSA-N 0 0 346.502 4.327 50 10 EICARN O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc(Cl)c1 ZINC000001159409 201498896 /nfs/dbraw/zinc/49/88/96/201498896.db2.gz NTVGFVKYIHYARN-JYRVWZFOSA-N 0 0 332.837 4.141 50 10 EICARN Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)s1 ZINC000001150710 201499147 /nfs/dbraw/zinc/49/91/47/201499147.db2.gz BWBBHPDPWAINDU-NTEUORMPSA-N 0 0 331.487 4.458 50 10 EICARN O=C(c1ccsc1)N1N=C(c2ccco2)C[C@H]1c1ccccc1O ZINC000225781973 242032778 /nfs/dbraw/zinc/03/27/78/242032778.db2.gz WUUXHNQCJVIUNE-HNNXBMFYSA-N 0 0 338.388 4.038 50 10 EICARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 ZINC000001601140 201512692 /nfs/dbraw/zinc/51/26/92/201512692.db2.gz NQIBXBASJXCFSZ-UVTDQMKNSA-N 0 0 342.401 4.001 50 10 EICARN CCCCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000004993524 201631806 /nfs/dbraw/zinc/63/18/06/201631806.db2.gz HILLWIYWTLOSRJ-UVTDQMKNSA-N 0 0 343.477 4.078 50 10 aggregator EICARN COc1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 ZINC000005327837 201647797 /nfs/dbraw/zinc/64/77/97/201647797.db2.gz CDOWFFHKRPSKSK-BOPFTXTBSA-N 0 0 341.798 4.067 50 10 EICARN Cc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c(C)c1 ZINC000005201197 201642624 /nfs/dbraw/zinc/64/26/24/201642624.db2.gz QXUJLKUZXSFOBD-MHWRWJLKSA-N 0 0 341.457 4.415 50 10 EICARN Cc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000006451196 201681573 /nfs/dbraw/zinc/68/15/73/201681573.db2.gz FHTYCCIKEYRYBE-FVMDXXJSSA-N 0 0 328.437 4.316 50 10 EICARN Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000102907370 206417275 /nfs/dbraw/zinc/41/72/75/206417275.db2.gz PULUYYLFTLPVFL-PZJWPPBQSA-N 0 0 343.386 4.030 50 10 EICARN O=C1c2cccc(N3CCCCC3)c2C(=O)c2cccc(Cl)c21 ZINC000006896441 135678383 /nfs/dbraw/zinc/67/83/83/135678383.db2.gz LODWZJARTZILPC-UHFFFAOYSA-N 0 0 325.795 4.106 50 10 EICARN Cc1ccc([C@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1 ZINC000000102672 563226565 /nfs/dbraw/zinc/22/65/65/563226565.db2.gz IEJCDDPVSNZCAS-SFHVURJKSA-N 0 0 334.419 4.110 50 10 EICARN Cc1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 ZINC000000285238 563272700 /nfs/dbraw/zinc/27/27/00/563272700.db2.gz LGNHBCQKXYJIBD-UHFFFAOYSA-N 0 0 344.370 4.170 50 10 EICARN CC(=O)N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2ccc(O)cc21 ZINC000000308457 563279173 /nfs/dbraw/zinc/27/91/73/563279173.db2.gz NJFAWVRYGNIMCP-IBGZPJMESA-N 0 0 341.794 4.130 50 10 EICARN CCn1cnc2cc(NCc3ccc(Br)cc3)ccc21 ZINC000000423330 563309062 /nfs/dbraw/zinc/30/90/62/563309062.db2.gz XCJUBTGJTNQTLJ-UHFFFAOYSA-N 0 0 330.229 4.431 50 10 EICARN O=C1/C(=C/c2ccco2)SC(=S)N1CCCc1ccccc1 ZINC000001135351 563375923 /nfs/dbraw/zinc/37/59/23/563375923.db2.gz VEJIPYJIBUPBRI-QINSGFPZSA-N 0 0 329.446 4.114 50 10 EICARN Cc1cccc(COc2ccc(C=C3SC(=S)NC3=O)cc2)c1 ZINC000001181060 563377648 /nfs/dbraw/zinc/37/76/48/563377648.db2.gz AYIRSLWTXZIWFY-MHWRWJLKSA-N 0 0 341.457 4.063 50 10 EICARN COc1cccc(N2C(=O)/C(=C/c3cccs3)SC2=S)c1 ZINC000001220839 563379883 /nfs/dbraw/zinc/37/98/83/563379883.db2.gz JYBPDEYBFJOHHZ-LCYFTJDESA-N 0 0 333.459 4.163 50 10 EICARN CCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000001259954 563381981 /nfs/dbraw/zinc/38/19/81/563381981.db2.gz XEGKDHKVJSUJPK-SAIXKJTDSA-N 0 0 331.462 4.005 50 10 EICARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc(F)cc1 ZINC000001763562 563409870 /nfs/dbraw/zinc/40/98/70/563409870.db2.gz WTBWZRGGRWIKPD-ZROIWOOFSA-N 0 0 333.384 4.371 50 10 EICARN COc1cc(Br)cc(CNc2ccc(C)c(F)c2)c1O ZINC000002383663 563430948 /nfs/dbraw/zinc/43/09/48/563430948.db2.gz QVBADAXVAYOBBJ-UHFFFAOYSA-N 0 0 340.192 4.223 50 10 EICARN O=C1c2ccccc2C(=O)c2c1ccc([N+](=O)[O-])c2Nc1ccccc1 ZINC000004321198 563500071 /nfs/dbraw/zinc/50/00/71/563500071.db2.gz ISOHOIXIFPOWCI-UHFFFAOYSA-N 0 0 344.326 4.114 50 10 EICARN COC(=O)c1ccccc1NN=Nc1ccc(Br)cc1 ZINC000004381622 563501777 /nfs/dbraw/zinc/50/17/77/563501777.db2.gz QJDOJIJDAQZWIQ-UHFFFAOYSA-N 0 0 334.173 4.347 50 10 EICARN CCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004506059 563504003 /nfs/dbraw/zinc/50/40/03/563504003.db2.gz FEJPWLNPOFOBSP-VHEBQXMUSA-N 0 0 348.790 4.482 50 10 EICARN Cc1cccc(NC=C2SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000004713670 563508849 /nfs/dbraw/zinc/50/88/49/563508849.db2.gz UHXKPOSVETXSEG-RVDMUPIBSA-N 0 0 332.494 4.441 50 10 EICARN NN1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)SC1=S ZINC000005777216 563549682 /nfs/dbraw/zinc/54/96/82/563549682.db2.gz MUCHRARJRZEKAI-YBEGLDIGSA-N 0 0 336.441 4.068 50 10 EICARN CCCCOc1ccc(/C=C2/SC(=S)N(CCC)C2=O)cc1 ZINC000002674185 563600057 /nfs/dbraw/zinc/60/00/57/563600057.db2.gz RLDLFFLYGGPQTI-NTCAYCPXSA-N 0 0 335.494 4.477 50 10 EICARN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000013425402 563698428 /nfs/dbraw/zinc/69/84/28/563698428.db2.gz DHRWAOWKWHHROR-UHFFFAOYSA-N 0 0 345.398 4.284 50 10 EICARN Cc1ccc(COc2cccc(C=C3SC(=S)NC3=O)c2)cc1 ZINC000015769470 563792249 /nfs/dbraw/zinc/79/22/49/563792249.db2.gz FELDFKKJTMONQX-YBEGLDIGSA-N 0 0 341.457 4.063 50 10 EICARN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002262402 563917951 /nfs/dbraw/zinc/91/79/51/563917951.db2.gz HVWJNOOJGKPXAC-OQLLNIDSSA-N 0 0 346.839 4.414 50 10 EICARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc1 ZINC000013574899 563930239 /nfs/dbraw/zinc/93/02/39/563930239.db2.gz YMVUKSQPEIRBPV-CPUCHLNUSA-N 0 0 337.335 4.330 50 10 EICARN O=C(c1ccccc1)c1ccc(Sc2nccs2)c([N+](=O)[O-])c1 ZINC000058394145 563944732 /nfs/dbraw/zinc/94/47/32/563944732.db2.gz LGYWAAABVZLOIC-UHFFFAOYSA-N 0 0 342.401 4.434 50 10 EICARN O=C1c2ccccc2C(=O)c2cc3oc(-c4ccccc4)nc3cc21 ZINC000004785920 563974521 /nfs/dbraw/zinc/97/45/21/563974521.db2.gz OWPZMDFHGRSMAO-UHFFFAOYSA-N 0 0 325.323 4.270 50 10 EICARN CN(C1=NC(=O)/C(=C/C=C/c2ccccc2)S1)c1ccc(O)cc1 ZINC000000098899 563981465 /nfs/dbraw/zinc/98/14/65/563981465.db2.gz KFESTKZPAVEVHA-WIXUPIFPSA-N 0 0 336.416 4.055 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccccc2O)C[C@@H]1c1ccco1 ZINC000011692684 563991082 /nfs/dbraw/zinc/99/10/82/563991082.db2.gz IQGWRHCCSNMNJV-CQSZACIVSA-N 0 0 338.388 4.038 50 10 EICARN CCN(CC)c1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000000327111 563996875 /nfs/dbraw/zinc/99/68/75/563996875.db2.gz KWVKRFOVZFJOQB-PDGQHHTCSA-N 0 0 338.382 4.016 50 10 EICARN CC(C)c1cc(NS(=O)(=O)c2ccccc2N)cc(C(C)C)c1O ZINC000000354329 563996893 /nfs/dbraw/zinc/99/68/93/563996893.db2.gz VUNDUCCMWIKHDF-UHFFFAOYSA-N 0 0 348.468 4.022 50 10 EICARN CC(=Cc1ccccc1)C=C1SC(Nc2cccc(O)c2)=NC1=O ZINC000005490012 564004729 /nfs/dbraw/zinc/00/47/29/564004729.db2.gz CCUBGMMABMMUAD-NEOBQEPSSA-N 0 0 336.416 4.421 50 10 EICARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000169682597 564017164 /nfs/dbraw/zinc/01/71/64/564017164.db2.gz PADQUVZDTGNTLH-VKJFTORMSA-N 0 0 337.335 4.330 50 10 EICARN COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C/c2ccco2)cc1 ZINC000102034549 564019839 /nfs/dbraw/zinc/01/98/39/564019839.db2.gz QLWHZRLUNVCBKH-XMHGGMMESA-N 0 0 344.370 4.123 50 10 EICARN COc1ccc(N(Cc2c(C)noc2C)Cc2c(C)noc2C)cc1 ZINC000047549759 564026420 /nfs/dbraw/zinc/02/64/20/564026420.db2.gz JEKLCAMBBOJIPB-UHFFFAOYSA-N 0 0 341.411 4.112 50 10 EICARN COc1cccc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1O ZINC000000818073 564035013 /nfs/dbraw/zinc/03/50/13/564035013.db2.gz WSLDXWMYULRVET-FQEVSTJZSA-N 0 0 335.407 4.162 50 10 EICARN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=S ZINC000001203792 564056427 /nfs/dbraw/zinc/05/64/27/564056427.db2.gz KDONNLHNUFGUFL-WJDWOHSUSA-N 0 0 342.489 4.315 50 10 EICARN COc1ccc2c(c1)CCCN2Cc1nc(-c2ccc(C)cc2)no1 ZINC000012595585 564060257 /nfs/dbraw/zinc/06/02/57/564060257.db2.gz HUYCYXWDEHCHMZ-UHFFFAOYSA-N 0 0 335.407 4.006 50 10 EICARN Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000012610061 564060582 /nfs/dbraw/zinc/06/05/82/564060582.db2.gz KHJDPGXXWPECRY-UHFFFAOYSA-N 0 0 345.446 4.053 50 10 EICARN Fc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000001423484 564066664 /nfs/dbraw/zinc/06/66/64/564066664.db2.gz IUWZSQRHCWOWEN-UHFFFAOYSA-N 0 0 335.338 4.245 50 10 EICARN CCCC[NH2+]Cc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)coc21 ZINC000032501384 564072248 /nfs/dbraw/zinc/07/22/48/564072248.db2.gz WKUHOZJZAUQCRF-UHFFFAOYSA-N 0 0 341.382 4.194 50 10 EICARN COc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000006793150 564098011 /nfs/dbraw/zinc/09/80/11/564098011.db2.gz YHDMEMOOFCBHJF-UHFFFAOYSA-N 0 0 343.382 4.082 50 10 EICARN COC(=O)c1ccc([C@@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000004151363 564117361 /nfs/dbraw/zinc/11/73/61/564117361.db2.gz AQXVDBCIBIMVFA-FCEWJHQRSA-N 0 0 335.403 4.308 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O ZINC000007616080 564121019 /nfs/dbraw/zinc/12/10/19/564121019.db2.gz VRNUIHLFWQYVQY-CQSZACIVSA-N 0 0 338.388 4.038 50 10 EICARN C[C@@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C1 ZINC000096346677 564146896 /nfs/dbraw/zinc/14/68/96/564146896.db2.gz KZGRKOGLIREOHW-MXFUOJGSSA-N 0 0 326.874 4.104 50 10 EICARN Cc1cc(CNC(=O)NCc2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000009228564 564171531 /nfs/dbraw/zinc/17/15/31/564171531.db2.gz PNNLRTRXBPDSME-UHFFFAOYSA-N 0 0 347.462 4.402 50 10 EICARN COc1ccccc1N1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000004567600 210223968 /nfs/dbraw/zinc/22/39/68/210223968.db2.gz VNNHFTNMQITAFU-RVDMUPIBSA-N 0 0 327.430 4.101 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\C1=Cc2ccccc2O[C@H]1C ZINC000012438496 201847334 /nfs/dbraw/zinc/84/73/34/201847334.db2.gz ZHWFTWODSVKPGO-CCNLRRDASA-N 0 0 330.387 4.200 50 10 EICARN COc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1OC ZINC000013476679 201898135 /nfs/dbraw/zinc/89/81/35/201898135.db2.gz OEZWNIKWUNZGGV-GZTJUZNOSA-N 0 0 339.416 4.073 50 10 EICARN Cc1ccnc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1 ZINC000019842966 202024273 /nfs/dbraw/zinc/02/42/73/202024273.db2.gz HXTSBGQMUPMIAB-LJQANCHMSA-N 0 0 342.402 4.240 50 10 EICARN CC(C)[NH2+]Cc1c2c(cc(Br)c1[O-])oc1c2CCCC1 ZINC000020842308 202056472 /nfs/dbraw/zinc/05/64/72/202056472.db2.gz QLPSQHQNKZDNLJ-UHFFFAOYSA-N 0 0 338.245 4.278 50 10 EICARN CCOc1cccc(CN2CCC[C@H]2c2cc(C(C)C)on2)c1O ZINC000021720395 202069506 /nfs/dbraw/zinc/06/95/06/202069506.db2.gz UYDIQYSDWYVNPW-INIZCTEOSA-N 0 0 330.428 4.239 50 10 EICARN COc1c(C)cnc(CSc2ncc(-c3ccccc3)n2C)c1C ZINC000078709100 202399227 /nfs/dbraw/zinc/39/92/27/202399227.db2.gz MVFVSAZYKMAHNC-UHFFFAOYSA-N 0 0 339.464 4.400 50 10 EICARN O=c1oc2c(ccc([O-])c2C[NH+]2CCCCC2)cc1-c1ccccc1 ZINC000001317602 201358834 /nfs/dbraw/zinc/35/88/34/201358834.db2.gz ZOOGQJOPWJIBRC-UHFFFAOYSA-N 0 0 335.403 4.152 50 10 EICARN CN(C)c1ccc([C@H]2NC(=S)N=C3c4ccccc4CCC32)cc1 ZINC000000201648 201447312 /nfs/dbraw/zinc/44/73/12/201447312.db2.gz YTQNVEORWAVBBW-GOSISDBHSA-N 0 0 335.476 4.040 50 10 EICARN O=C(c1ccsc1)c1coc2ccc([O-])c(C[NH+]3CCCC3)c12 ZINC000218446118 241322888 /nfs/dbraw/zinc/32/28/88/241322888.db2.gz KFXMATBNCANAQE-UHFFFAOYSA-N 0 0 327.405 4.027 50 10 EICARN COc1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1 ZINC000001813841 201521246 /nfs/dbraw/zinc/52/12/46/201521246.db2.gz QONAVZWZDOUOGM-DHDCSXOGSA-N 0 0 345.420 4.240 50 10 EICARN O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccccc1Cl ZINC000002392914 201530670 /nfs/dbraw/zinc/53/06/70/201530670.db2.gz AGIHFTJXZRZZCC-JYRVWZFOSA-N 0 0 332.837 4.141 50 10 EICARN COc1ccc(Nc2c(-c3ccccn3)nc3cc(C)ccn32)cc1 ZINC000004733969 201614965 /nfs/dbraw/zinc/61/49/65/201614965.db2.gz FLOSMJAVYNUCCD-UHFFFAOYSA-N 0 0 330.391 4.457 50 10 EICARN Cc1cccc(NC2=NC(=O)C(=Cc3cccnc3)S2)c1Cl ZINC000005151003 201640615 /nfs/dbraw/zinc/64/06/15/201640615.db2.gz BMMSHNOMPLHNCY-MDWZMJQESA-N 0 0 329.812 4.126 50 10 EICARN Oc1ccc(Cn2ccnc2-c2nc(-c3ccccc3)cs2)c(O)c1 ZINC000077485872 203391093 /nfs/dbraw/zinc/39/10/93/203391093.db2.gz UNEZHALHWUNWRE-UHFFFAOYSA-N 0 0 349.415 4.133 50 10 EICARN Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102733900 204047853 /nfs/dbraw/zinc/04/78/53/204047853.db2.gz KRTLHXUIMSQSOL-MRXNPFEDSA-N 0 0 340.379 4.244 50 10 EICARN CC(C)(C)C(=O)C[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O ZINC000100368437 206240029 /nfs/dbraw/zinc/24/00/29/206240029.db2.gz HTHXVNNUTNHMIL-KRWDZBQOSA-N 0 0 334.415 4.471 50 10 EICARN C=C(c1ccc(O)cc1)C1SC(=S)N(Cc2ccccc2)C1=O ZINC000001165296 206266821 /nfs/dbraw/zinc/26/68/21/206266821.db2.gz LFBBKLQPNIUROD-VBKFSLOCSA-N 0 0 341.457 4.184 50 10 EICARN O=C1c2ccccc2N[C@H](c2ccccc2O)N1c1ccc(F)cc1 ZINC000000067188 527134220 /nfs/dbraw/zinc/13/42/20/527134220.db2.gz ZEFTXOXLFAHRAD-IBGZPJMESA-N 0 0 334.350 4.302 50 10 EICARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1CCc1ccccc1 ZINC000001145771 563376329 /nfs/dbraw/zinc/37/63/29/563376329.db2.gz FELLRGNBSVYJQO-MMPACVFLSA-N 0 0 341.457 4.280 50 10 EICARN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O ZINC000004457076 563502839 /nfs/dbraw/zinc/50/28/39/563502839.db2.gz JKUYRBUUTWOODH-HKJJFUAXSA-N 0 0 332.469 4.368 50 10 EICARN Cc1cc(C=O)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000004543406 563504713 /nfs/dbraw/zinc/50/47/13/563504713.db2.gz WCCJMTHTCWZRTG-UHFFFAOYSA-N 0 0 327.384 4.169 50 10 EICARN CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)SC1=S ZINC000005023073 563519388 /nfs/dbraw/zinc/51/93/88/563519388.db2.gz RJWGEPNCLMQGOF-XNTDXEJSSA-N 0 0 329.446 4.070 50 10 EICARN COc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc(Cl)c1O ZINC000012418339 563660503 /nfs/dbraw/zinc/66/05/03/563660503.db2.gz BTIAAMWQYVYEFI-ZROIWOOFSA-N 0 0 345.807 4.115 50 10 EICARN CN(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000032597707 563662727 /nfs/dbraw/zinc/66/27/27/563662727.db2.gz BKOAIOSPVSTOJN-KRWDZBQOSA-N 0 0 332.856 4.185 50 10 EICARN Nc1ccc(CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000096402473 563949884 /nfs/dbraw/zinc/94/98/84/563949884.db2.gz BXGSSPLKXZTBIE-UHFFFAOYSA-N 0 0 348.368 4.021 50 10 EICARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000000045111 563970383 /nfs/dbraw/zinc/97/03/83/563970383.db2.gz DLZWDJYQYWBOLU-CQSZACIVSA-N 0 0 337.419 4.416 50 10 EICARN CCOC(=O)C1=NN(c2ccccc2)/C(=C\c2ccc(C)cc2)S1 ZINC000033347478 563974744 /nfs/dbraw/zinc/97/47/44/563974744.db2.gz QFLRSACIXZITHN-GHRIWEEISA-N 0 0 338.432 4.423 50 10 EICARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100041011 563981374 /nfs/dbraw/zinc/98/13/74/563981374.db2.gz SLINMSRSTKXUCI-GZTJUZNOSA-N 0 0 325.799 4.367 50 10 EICARN O=C1C(=CNc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000100072005 563982092 /nfs/dbraw/zinc/98/20/92/563982092.db2.gz MEVWASOCXAAMNV-UVTDQMKNSA-N 0 0 349.287 4.087 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000100312990 563982540 /nfs/dbraw/zinc/98/25/40/563982540.db2.gz MTLQXCZVXIWMHD-QGOAFFKASA-N 0 0 349.409 4.232 50 10 EICARN COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1Cl ZINC000005529795 564005084 /nfs/dbraw/zinc/00/50/84/564005084.db2.gz UVVJRRHISKYNPQ-GDNBJRDFSA-N 0 0 344.823 4.431 50 10 EICARN O=C([O-])[C@H](Cc1ccccc1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000005531390 564005136 /nfs/dbraw/zinc/00/51/36/564005136.db2.gz LZDIPJARGCCMBS-FQEVSTJZSA-N 0 0 342.398 4.496 50 10 EICARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCC[C@H](C)C1 ZINC000000510358 564020058 /nfs/dbraw/zinc/02/00/58/564020058.db2.gz ZYCFETBRODNEIM-ZKNCDPSRSA-N 0 0 344.415 4.084 50 10 EICARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2ccccc2)o1 ZINC000000530623 564021521 /nfs/dbraw/zinc/02/15/21/564021521.db2.gz DRUDZYMMQDEITE-GHRIWEEISA-N 0 0 338.432 4.403 50 10 EICARN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OC(F)F ZINC000048249167 564030220 /nfs/dbraw/zinc/03/02/20/564030220.db2.gz GENWIEUOTSTPPQ-UHFFFAOYSA-N 0 0 348.393 4.016 50 10 EICARN COCCCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048354186 564031352 /nfs/dbraw/zinc/03/13/52/564031352.db2.gz FCDNZRUVEHFQRM-JOCHJYFZSA-N 0 0 349.430 4.178 50 10 EICARN O=C1C(=CNc2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000096429695 564051261 /nfs/dbraw/zinc/05/12/61/564051261.db2.gz OUJNCFLRBWPNGB-PTNGSMBKSA-N 0 0 326.446 4.000 50 10 EICARN Cc1cccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCCO4)n21 ZINC000003909773 564060339 /nfs/dbraw/zinc/06/03/39/564060339.db2.gz PPRHUTHYAVJGDO-UHFFFAOYSA-N 0 0 347.374 4.418 50 10 EICARN COc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)cc1 ZINC000001253982 564062726 /nfs/dbraw/zinc/06/27/26/564062726.db2.gz WPGQMJYDLWIYTN-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000075284313 564081578 /nfs/dbraw/zinc/08/15/78/564081578.db2.gz LJKLOEWBGHXNOR-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN Cc1cccc(N=Nc2c(N)nn3c2nc(C)cc3C(F)(F)F)c1 ZINC000252617929 564086950 /nfs/dbraw/zinc/08/69/50/564086950.db2.gz LBPWGKNIUBNONS-UHFFFAOYSA-N 0 0 334.305 4.363 50 10 EICARN COCCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S ZINC000002375628 564133890 /nfs/dbraw/zinc/13/38/90/564133890.db2.gz AAYLNGXZOKUPNF-RVDMUPIBSA-N 0 0 335.494 4.048 50 10 EICARN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1F ZINC000096125656 564145706 /nfs/dbraw/zinc/14/57/06/564145706.db2.gz JRMOXRUGYYWVCL-UHFFFAOYSA-N 0 0 332.806 4.009 50 10 EICARN CN(Cc1ccc(N2CCCCC2)cc1)c1ncnc2sccc21 ZINC000008162400 564163273 /nfs/dbraw/zinc/16/32/73/564163273.db2.gz XIGFJGUMRAERAV-UHFFFAOYSA-N 0 0 338.480 4.318 50 10 EICARN Cc1cc(CNC(=O)NCc2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000009228860 564171539 /nfs/dbraw/zinc/17/15/39/564171539.db2.gz FQUWBFXRXDVATO-UHFFFAOYSA-N 0 0 347.462 4.402 50 10 EICARN CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc2[nH]ccc2c1 ZINC000170607594 1036710018 /nfs/dbraw/zinc/71/00/18/1036710018.db2.gz WDOHSKWXDNVTBX-JXMROGBWSA-N 0 0 335.363 4.142 50 10 EICARN Cc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccccc2)C1=O ZINC000825235631 1044621630 /nfs/dbraw/zinc/62/16/30/1044621630.db2.gz YHYWQNASNUFJNT-RVDMUPIBSA-N 0 0 339.441 4.037 50 10 EICARN [O-]c1c([C@@H](c2ccccn2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000019879777 202025179 /nfs/dbraw/zinc/02/51/79/202025179.db2.gz QLPZJTVSRZEZHY-SFHVURJKSA-N 0 0 339.826 4.174 50 10 EICARN CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+](CC)CC ZINC000019911595 202026876 /nfs/dbraw/zinc/02/68/76/202026876.db2.gz UHNOHCDBXDQTMX-UHFFFAOYSA-N 0 0 337.847 4.336 50 10 aggregator EICARN Cc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 ZINC000033320536 202257799 /nfs/dbraw/zinc/25/77/99/202257799.db2.gz QEBFRVGOJHWHJK-ALGNWURXSA-N 0 0 345.427 4.299 50 10 EICARN CN(Cc1ccccc1O)C(=O)c1ccccc1Nc1ccccc1 ZINC000042117894 202491799 /nfs/dbraw/zinc/49/17/99/202491799.db2.gz HADXOAKZTONVSL-UHFFFAOYSA-N 0 0 332.403 4.408 50 10 EICARN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(F)c(F)c3)S2)c1 ZINC000007587316 201363780 /nfs/dbraw/zinc/36/37/80/201363780.db2.gz AMPQGPGNZJCDBS-OQLLNIDSSA-N 0 0 330.359 4.356 50 10 EICARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1Cl ZINC000100147649 201387047 /nfs/dbraw/zinc/38/70/47/201387047.db2.gz QYEDLRLTLIYKBY-XNTDXEJSSA-N 0 0 341.754 4.054 50 10 EICARN Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2C)cc1 ZINC000022225569 212282828 /nfs/dbraw/zinc/28/28/28/212282828.db2.gz HQXSPSBUYPZPMU-UHFFFAOYSA-N 0 0 337.448 4.126 50 10 EICARN COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000000971136 201495943 /nfs/dbraw/zinc/49/59/43/201495943.db2.gz VBTFTHFZVRDFEN-RVDMUPIBSA-N 0 0 327.430 4.101 50 10 EICARN CC(C)CN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000001305662 201502849 /nfs/dbraw/zinc/50/28/49/201502849.db2.gz KMWBFXBSRJZTLE-PFSWGADMSA-N 0 0 345.489 4.251 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000101062894 204000773 /nfs/dbraw/zinc/00/07/73/204000773.db2.gz DEVLNUKFUVCZDW-LFIBNONCSA-N 0 0 341.208 4.255 50 10 EICARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccccc1C ZINC000048356192 204351314 /nfs/dbraw/zinc/35/13/14/204351314.db2.gz VAKAKHPLVUFBQQ-UHFFFAOYSA-N 0 0 343.477 4.229 50 10 EICARN Cc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000002958922 206417365 /nfs/dbraw/zinc/41/73/65/206417365.db2.gz ZPIIJSATMSNVMA-LFIBNONCSA-N 0 0 325.458 4.396 50 10 EICARN FC(F)(F)c1cccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000047510436 132424171 /nfs/dbraw/zinc/42/41/71/132424171.db2.gz QUHJCZRIIQUHCE-UHFFFAOYSA-N 0 0 344.340 4.270 50 10 EICARN O=C1C(c2ccccc2)=S=C2c3ccccc3-c3ccccc3N12 ZINC000082068107 526959353 /nfs/dbraw/zinc/95/93/53/526959353.db2.gz FRFLRXAIFYEOEP-UHFFFAOYSA-N 0 0 327.408 4.146 50 10 EICARN CN(C)c1ccc([C@@H]2NC(=S)N=C3c4ccccc4CCC32)cc1 ZINC000000201647 563259185 /nfs/dbraw/zinc/25/91/85/563259185.db2.gz YTQNVEORWAVBBW-SFHVURJKSA-N 0 0 335.476 4.040 50 10 EICARN Cc1ccc(C)n1-c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000400102 563305872 /nfs/dbraw/zinc/30/58/72/563305872.db2.gz WCVBYKFARFSPRI-UHFFFAOYSA-N 0 0 325.433 4.235 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O ZINC000000498932 563339026 /nfs/dbraw/zinc/33/90/26/563339026.db2.gz YOCHRCSMBNNZQG-KRWDZBQOSA-N 0 0 348.427 4.445 50 10 EICARN CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)c1ccccc1-2 ZINC000000615078 563357781 /nfs/dbraw/zinc/35/77/81/563357781.db2.gz WBMDTXOTAYQUJN-UHFFFAOYSA-N 0 0 343.382 4.445 50 10 EICARN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1cccc(O)c1 ZINC000004426152 563502847 /nfs/dbraw/zinc/50/28/47/563502847.db2.gz HDFJPCZDSWSRSZ-ZROIWOOFSA-N 0 0 330.796 4.128 50 10 EICARN O=C(Nc1c2ccccc2nc2ccccc21)c1n[nH]c2c1CCCC2 ZINC000008740769 563638341 /nfs/dbraw/zinc/63/83/41/563638341.db2.gz WRVUPSFLOORTPI-UHFFFAOYSA-N 0 0 342.402 4.242 50 10 EICARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)c1 ZINC000004456017 563721056 /nfs/dbraw/zinc/72/10/56/563721056.db2.gz LTMGPJMANGFVQM-ZQIUZPCESA-N 0 0 337.335 4.330 50 10 EICARN [O-]c1c(Cl)cc(Cl)cc1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019301132 563918180 /nfs/dbraw/zinc/91/81/80/563918180.db2.gz VGVLRBZRXUPPKU-OAHLLOKOSA-N 0 0 333.218 4.415 50 10 EICARN Cc1ccc(-c2ccc(/C=C3\SC(N4CCCC4)=NC3=O)o2)cc1 ZINC000013776619 563933046 /nfs/dbraw/zinc/93/30/46/563933046.db2.gz UGOGEROTZKZLSI-ATVHPVEESA-N 0 0 338.432 4.321 50 10 EICARN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCc1ccccc1 ZINC000058345190 563943186 /nfs/dbraw/zinc/94/31/86/563943186.db2.gz MBPWQCYSLKBBMD-UHFFFAOYSA-N 0 0 338.476 4.470 50 10 EICARN Cc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)c1 ZINC000097104951 563967637 /nfs/dbraw/zinc/96/76/37/563967637.db2.gz PHVUOGYTBFLQJZ-GOSISDBHSA-N 0 0 346.386 4.285 50 10 EICARN Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000016291514 563976240 /nfs/dbraw/zinc/97/62/40/563976240.db2.gz ADTNPZGLVFOSSP-WJDWOHSUSA-N 0 0 325.458 4.396 50 10 EICARN CCOC(=O)c1c(NCc2ccccc2O)sc2c1CCCC2 ZINC000000266420 563989980 /nfs/dbraw/zinc/98/99/80/563989980.db2.gz QOKWXMPQPRXQGM-UHFFFAOYSA-N 0 0 331.437 4.121 50 10 EICARN CC[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c(=O)oc2c(C)c1[O-])CCC3 ZINC000005025378 563993835 /nfs/dbraw/zinc/99/38/35/563993835.db2.gz AWQWVKOTJKRDMZ-OAHLLOKOSA-N 0 0 341.451 4.060 50 10 EICARN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000100724511 563995039 /nfs/dbraw/zinc/99/50/39/563995039.db2.gz UMHWQFMCMLISSD-WJDWOHSUSA-N 0 0 338.392 4.114 50 10 EICARN Cc1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)c1 ZINC000005174957 563999989 /nfs/dbraw/zinc/99/99/89/563999989.db2.gz MSAIWHOWDDMVSF-UHFFFAOYSA-N 0 0 337.448 4.126 50 10 EICARN Cc1cc(C(=O)[C@H](C)Sc2nccn2C)c(C)n1-c1ccccc1 ZINC000005359563 564003072 /nfs/dbraw/zinc/00/30/72/564003072.db2.gz WNESHIWAHQORQG-HNNXBMFYSA-N 0 0 339.464 4.191 50 10 EICARN O=C1c2ccccc2C(=O)C1(Nc1ccccc1F)c1ccccc1 ZINC000005515819 564004937 /nfs/dbraw/zinc/00/49/37/564004937.db2.gz CXPYDZWFHILHDV-UHFFFAOYSA-N 0 0 331.346 4.212 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000101124355 564019232 /nfs/dbraw/zinc/01/92/32/564019232.db2.gz FSCNPWIIJUALQT-PTNGSMBKSA-N 0 0 348.431 4.323 50 10 EICARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1cccc(F)c1 ZINC000015011612 564052442 /nfs/dbraw/zinc/05/24/42/564052442.db2.gz ZKYAQBWUDAPYRX-RIYZIHGNSA-N 0 0 333.384 4.371 50 10 EICARN CCCCC(=O)N[C@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000003894213 564060297 /nfs/dbraw/zinc/06/02/97/564060297.db2.gz CVIIJBCJKCLLCV-LJQANCHMSA-N 0 0 334.419 4.336 50 10 biogenic EICARN CCCCn1cnc2cc(NCc3cc(OC)ccc3OC)ccc21 ZINC000003907441 564060359 /nfs/dbraw/zinc/06/03/59/564060359.db2.gz YLYKIVWNOZVHBG-UHFFFAOYSA-N 0 0 339.439 4.466 50 10 EICARN CC(C)CN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000534578893 564061110 /nfs/dbraw/zinc/06/11/10/564061110.db2.gz JBUIJNZSKDUFEN-HNNXBMFYSA-N 0 0 344.430 4.460 50 10 EICARN Cc1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1C ZINC000001238013 564062509 /nfs/dbraw/zinc/06/25/09/564062509.db2.gz CKAUEXBPTBAATP-GDNBJRDFSA-N 0 0 326.446 4.104 50 10 EICARN C[C@H](Sc1nccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000052914140 564063085 /nfs/dbraw/zinc/06/30/85/564063085.db2.gz FVEHOKCVRCSRNF-QMMMGPOBSA-N 0 0 332.372 4.281 50 10 EICARN COc1ccccc1NC(=S)Nc1cccc(N2CCCCC2)c1 ZINC000063671589 564074082 /nfs/dbraw/zinc/07/40/82/564074082.db2.gz FBCPJRGGNRWEJL-UHFFFAOYSA-N 0 0 341.480 4.494 50 10 EICARN Cc1ccc([C@@H]2C[C@H](c3cc(Cl)ccc3O)Nc3ncnn32)cc1 ZINC000000389020 564082654 /nfs/dbraw/zinc/08/26/54/564082654.db2.gz RLXRSACLVHZKNS-CVEARBPZSA-N 0 0 340.814 4.092 50 10 EICARN CCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000001835269 564088758 /nfs/dbraw/zinc/08/87/58/564088758.db2.gz RYMBGPKBBJIVDF-GDNBJRDFSA-N 0 0 331.462 4.007 50 10 EICARN CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 ZINC000006603964 564093046 /nfs/dbraw/zinc/09/30/46/564093046.db2.gz IJAPEORMUPRGSM-QFYYESIMSA-N 0 0 328.437 4.398 50 10 EICARN CC(C)Nc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737930 564096751 /nfs/dbraw/zinc/09/67/51/564096751.db2.gz BAUVYDDBGXFUAA-UHFFFAOYSA-N 0 0 347.418 4.460 50 10 EICARN Cc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000006793154 564098012 /nfs/dbraw/zinc/09/80/12/564098012.db2.gz PPADLZFAMOUJIT-UHFFFAOYSA-N 0 0 327.383 4.382 50 10 EICARN O=C1N=C(N2CCCCC2)S/C1=C\c1csc2ccccc12 ZINC000089866683 564114412 /nfs/dbraw/zinc/11/44/12/564114412.db2.gz ZSWOBYAGORUDOT-GDNBJRDFSA-N 0 0 328.462 4.358 50 10 EICARN c1nc(SC[C@@H]2CCCO2)n(C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000054774260 564124719 /nfs/dbraw/zinc/12/47/19/564124719.db2.gz KSGKQZFUZYVEAW-IRXDYDNUSA-N 0 0 344.480 4.000 50 10 EICARN COc1ccc(NC=C2C(C)=NN(c3ccc(C)cc3C)C2=O)cc1 ZINC000095471584 564141268 /nfs/dbraw/zinc/14/12/68/564141268.db2.gz SBXAVLKXSAINJY-PDGQHHTCSA-N 0 0 335.407 4.031 50 10 EICARN CN(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccccc2)cc1 ZINC000028232377 564150760 /nfs/dbraw/zinc/15/07/60/564150760.db2.gz YMDQRIPNKFERJL-QGZVFWFLSA-N 0 0 327.453 4.032 50 10 EICARN Cc1cc(CNC(=O)NCc2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000009228773 564171536 /nfs/dbraw/zinc/17/15/36/564171536.db2.gz PRUPVHATICQOJU-UHFFFAOYSA-N 0 0 347.462 4.402 50 10 EICARN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc(Cl)s1 ZINC000014177802 1022810278 /nfs/dbraw/zinc/81/02/78/1022810278.db2.gz NTPZTHDYBYJHBO-FLIBITNWSA-N 0 0 326.874 4.294 50 10 EICARN C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000253953038 1037289456 /nfs/dbraw/zinc/28/94/56/1037289456.db2.gz WYWKLODTCMKACH-SUMWQHHRSA-N 0 0 337.379 4.240 50 10 EICARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccco3)cc1)CCCC2 ZINC000006877860 201704064 /nfs/dbraw/zinc/70/40/64/201704064.db2.gz LFOMVWCIABVRPQ-UHFFFAOYSA-N 0 0 334.419 4.188 50 10 EICARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1Cc1ccco1 ZINC000020255304 202036718 /nfs/dbraw/zinc/03/67/18/202036718.db2.gz BJWHIEUOIWFNAE-NVNXTCNLSA-N 0 0 340.429 4.162 50 10 EICARN CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+]1CCC[C@H](C)C1 ZINC000020331329 202037652 /nfs/dbraw/zinc/03/76/52/202037652.db2.gz KMDXXIVEURXOTI-LBPRGKRZSA-N 0 0 349.858 4.336 50 10 EICARN O=C1N=C(NC2CCCC2)SC1=Cc1ccc(C(F)(F)F)cc1 ZINC000020987346 202059316 /nfs/dbraw/zinc/05/93/16/202059316.db2.gz OMFHYCSVCBSYCU-LCYFTJDESA-N 0 0 340.370 4.208 50 10 EICARN CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000024761912 202120448 /nfs/dbraw/zinc/12/04/48/202120448.db2.gz DZTIQLJXMSJFME-HKMNZKMDSA-N 0 0 340.492 4.363 50 10 EICARN Cc1cc(CN(C)C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)no1 ZINC000025137417 202127451 /nfs/dbraw/zinc/12/74/51/202127451.db2.gz YELJYASHQTWACQ-ZHACJKMWSA-N 0 0 349.434 4.062 50 10 EICARN CN(C)c1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1 ZINC000028287870 202168893 /nfs/dbraw/zinc/16/88/93/202168893.db2.gz JKGYIFVMDDPRIS-UHFFFAOYSA-N 0 0 349.409 4.134 50 10 EICARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N(C)c1ccccc1 ZINC000096403103 201376765 /nfs/dbraw/zinc/37/67/65/201376765.db2.gz SBBZTXWWKXZKQS-PFONDFGASA-N 0 0 331.419 4.165 50 10 EICARN Cc1ccccc1N1C(=O)c2ccc(Oc3ccc(N)cc3)cc2C1=O ZINC000000240443 201453032 /nfs/dbraw/zinc/45/30/32/201453032.db2.gz BPGYENWWZMNYAA-UHFFFAOYSA-N 0 0 344.370 4.170 50 10 EICARN COc1cc(OC)c(C2Nc3cccc4cccc(c43)N2)cc1OC ZINC000000308284 201459189 /nfs/dbraw/zinc/45/91/89/201459189.db2.gz SSDJUGVCJCGFBB-UHFFFAOYSA-N 0 0 336.391 4.402 50 10 EICARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000001216391 201499968 /nfs/dbraw/zinc/49/99/68/201499968.db2.gz QNYNFZNDSZHXFF-JYRVWZFOSA-N 0 0 335.837 4.334 50 10 EICARN Cc1noc(C)c1NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000069700380 203037932 /nfs/dbraw/zinc/03/79/32/203037932.db2.gz IGFBFHWGNLCSKZ-UHFFFAOYSA-N 0 0 343.427 4.364 50 10 EICARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc(O)c1 ZINC000019618056 212051727 /nfs/dbraw/zinc/05/17/27/212051727.db2.gz KNVAMNQSXKKLER-MAHQCVNESA-N 0 0 339.441 4.354 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Br)s1 ZINC000101089093 204001038 /nfs/dbraw/zinc/00/10/38/204001038.db2.gz OAJKHSVQAPNONI-UKTHLTGXSA-N 0 0 347.237 4.317 50 10 EICARN CCOc1ccccc1NC=C1SC(=S)N(C2CCCC2)C1=O ZINC000101193023 204002848 /nfs/dbraw/zinc/00/28/48/204002848.db2.gz VYJHSRWTBCRLPV-PTNGSMBKSA-N 0 0 348.493 4.142 50 10 EICARN COc1cccc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000003862344 205673674 /nfs/dbraw/zinc/67/36/74/205673674.db2.gz ZHEWBJYTKDICCZ-LICLKQGHSA-N 0 0 326.783 4.155 50 10 EICARN Cn1ccc(/C=C/C(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 ZINC000328596505 258042406 /nfs/dbraw/zinc/04/24/06/258042406.db2.gz XENBTKYFNOYJKD-RUDMXATFSA-N 0 0 340.423 4.472 50 10 EICARN COc1cc(Br)cc(CNc2ccc(C)c(C)c2)c1O ZINC000002383666 563430944 /nfs/dbraw/zinc/43/09/44/563430944.db2.gz DXSSNTYWUHJWAQ-UHFFFAOYSA-N 0 0 336.229 4.392 50 10 EICARN Cc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000000075982 563216920 /nfs/dbraw/zinc/21/69/20/563216920.db2.gz YTMJJHILRDXZHY-UHFFFAOYSA-N 0 0 327.383 4.382 50 10 EICARN CCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O ZINC000000102704 563226505 /nfs/dbraw/zinc/22/65/05/563226505.db2.gz GKQPLNYKUJGLNH-KRWDZBQOSA-N 0 0 340.810 4.209 50 10 biogenic EICARN COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1OC ZINC000000257235 563267410 /nfs/dbraw/zinc/26/74/10/563267410.db2.gz OEZWNIKWUNZGGV-BOPFTXTBSA-N 0 0 339.416 4.073 50 10 EICARN COc1ccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)cc1 ZINC000001149598 563376317 /nfs/dbraw/zinc/37/63/17/563376317.db2.gz PBMPWNPEIFYUJX-ZROIWOOFSA-N 0 0 347.486 4.471 50 10 EICARN COc1ccc(CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001174842 563377681 /nfs/dbraw/zinc/37/76/81/563377681.db2.gz USEXEWMDMKVXSK-WJDWOHSUSA-N 0 0 341.457 4.097 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000004309894 563499749 /nfs/dbraw/zinc/49/97/49/563499749.db2.gz VNKSNXSXZRIHGM-STXHMFSFSA-N 0 0 349.390 4.380 50 10 EICARN O=C1N=C(N2CCCC2)S/C1=C\c1cccc(Cl)c1Cl ZINC000013536323 563700425 /nfs/dbraw/zinc/70/04/25/563700425.db2.gz LZXLQKPDSPCHOJ-FLIBITNWSA-N 0 0 327.236 4.060 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 ZINC000004477975 563726796 /nfs/dbraw/zinc/72/67/96/563726796.db2.gz JMKOQOBSHLCUHH-XNTDXEJSSA-N 0 0 345.420 4.240 50 10 EICARN O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1c1ccccc1 ZINC000013940305 563731730 /nfs/dbraw/zinc/73/17/30/563731730.db2.gz MWNQGKOFXADLSH-DHZHZOJOSA-N 0 0 348.430 4.062 50 10 EICARN CSc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000015011035 563771874 /nfs/dbraw/zinc/77/18/74/563771874.db2.gz XNKNUAJPAOAZRI-ZROIWOOFSA-N 0 0 347.486 4.403 50 10 EICARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000015723673 563791118 /nfs/dbraw/zinc/79/11/18/563791118.db2.gz ODRZKEZNAYYEBF-SXGWCWSVSA-N 0 0 342.489 4.200 50 10 EICARN O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(N2CCCC2)cc1 ZINC000058378206 563944229 /nfs/dbraw/zinc/94/42/29/563944229.db2.gz QPBHYVRMVGMMHN-UHFFFAOYSA-N 0 0 348.490 4.025 50 10 EICARN CCN(CC)c1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1 ZINC000004747537 563973081 /nfs/dbraw/zinc/97/30/81/563973081.db2.gz FJDFGXLEVJBWLE-SDNWHVSQSA-N 0 0 335.407 4.459 50 10 EICARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(F)cc1 ZINC000004894340 563992290 /nfs/dbraw/zinc/99/22/90/563992290.db2.gz YNPFDRGXDVSLKA-UHFFFAOYSA-N 0 0 347.440 4.060 50 10 EICARN CCCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CCCC[C@H]1CC ZINC000005046711 563994046 /nfs/dbraw/zinc/99/40/46/563994046.db2.gz LCSSFBMCLVEOCG-OAHLLOKOSA-N 0 0 329.440 4.216 50 10 EICARN COc1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)c(OC)c1 ZINC000000423353 563998324 /nfs/dbraw/zinc/99/83/24/563998324.db2.gz XVAQHYHGALBJPR-UHFFFAOYSA-N 0 0 339.439 4.421 50 10 EICARN CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)SC1=S ZINC000005170480 563999841 /nfs/dbraw/zinc/99/98/41/563999841.db2.gz PCUZLFKYXGHEED-XNTDXEJSSA-N 0 0 329.446 4.070 50 10 EICARN CSCC[C@@H](Nc1c2ccccc2[nH+]c2ccccc21)C(=O)[O-] ZINC000005298452 564002405 /nfs/dbraw/zinc/00/24/05/564002405.db2.gz LLLRABBEOQIEED-MRXNPFEDSA-N 0 0 326.421 4.006 50 10 EICARN CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3 ZINC000000509783 564019894 /nfs/dbraw/zinc/01/98/94/564019894.db2.gz MTBNPFXAPPCARC-UHFFFAOYSA-N 0 0 348.468 4.030 50 10 EICARN O=C1C(=CNc2ccccc2)SC(=S)N1Cc1ccccc1 ZINC000018122680 564025121 /nfs/dbraw/zinc/02/51/21/564025121.db2.gz OUJNCFLRBWPNGB-RVDMUPIBSA-N 0 0 326.446 4.000 50 10 EICARN CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000105869141 564025347 /nfs/dbraw/zinc/02/53/47/564025347.db2.gz AHTLRZBDJXAIGJ-UDWIEESQSA-N 0 0 328.371 4.352 50 10 EICARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2ccccc2[nH]1 ZINC000048332966 564031059 /nfs/dbraw/zinc/03/10/59/564031059.db2.gz RGILIJDVUBZZHJ-UHFFFAOYSA-N 0 0 335.451 4.285 50 10 EICARN CN(C)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000008170814 564034921 /nfs/dbraw/zinc/03/49/21/564034921.db2.gz BXRJRWFBGXREMZ-UHFFFAOYSA-N 0 0 330.431 4.350 50 10 EICARN S=C(c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCOCC1 ZINC000005864788 564056712 /nfs/dbraw/zinc/05/67/12/564056712.db2.gz YGNVDJNLXJTMKF-UHFFFAOYSA-N 0 0 342.247 4.261 50 10 EICARN COc1ccc(C2=C/C(=C\c3ccccc3Cl)C(=O)O2)cc1OC ZINC000005959971 564057310 /nfs/dbraw/zinc/05/73/10/564057310.db2.gz LQIXNZSBHVRAGK-NTEUORMPSA-N 0 0 342.778 4.339 50 10 EICARN Cc1cc(-c2csc(C)n2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000012543392 564058786 /nfs/dbraw/zinc/05/87/86/564058786.db2.gz DIWHJFXTCXCDMA-UHFFFAOYSA-N 0 0 326.421 4.297 50 10 EICARN C[C@@H](Sc1nccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000052914141 564063069 /nfs/dbraw/zinc/06/30/69/564063069.db2.gz FVEHOKCVRCSRNF-MRVPVSSYSA-N 0 0 332.372 4.281 50 10 EICARN O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000001411681 564065650 /nfs/dbraw/zinc/06/56/50/564065650.db2.gz DOGTXVZTZDWQHN-KPKJPENVSA-N 0 0 339.800 4.478 50 10 EICARN Cc1cc(C(C)(C)C)cc(C[NH+]2CCN(c3ccccc3)CC2)c1O ZINC000089587293 564093014 /nfs/dbraw/zinc/09/30/14/564093014.db2.gz KNWDMOPWZROVBA-UHFFFAOYSA-N 0 0 338.495 4.320 50 10 EICARN CN(C)c1cc(N2CCCCC2)c2c3c1noc3-c1ccccc1C2=O ZINC000006737890 564096770 /nfs/dbraw/zinc/09/67/70/564096770.db2.gz WBERLMSOQXHRDQ-UHFFFAOYSA-N 0 0 347.418 4.096 50 10 EICARN Cc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000006804305 564098313 /nfs/dbraw/zinc/09/83/13/564098313.db2.gz OJAVBXRKYZJWEF-UHFFFAOYSA-N 0 0 348.446 4.497 50 10 EICARN CN(C)c1ccc(C2N=c3c(c4ccccc4c4ccccc34)=N2)cc1 ZINC000007348516 564107284 /nfs/dbraw/zinc/10/72/84/564107284.db2.gz LXGAEQQANGITMB-UHFFFAOYSA-N 0 0 337.426 4.011 50 10 EICARN CC(=Cc1ccccc1)C=C1SC(Nc2ccccc2O)=NC1=O ZINC000016711611 564112800 /nfs/dbraw/zinc/11/28/00/564112800.db2.gz LHVCWIROHIILMV-YMGXUNRSSA-N 0 0 336.416 4.421 50 10 EICARN O=C1c2ccccc2N[C@H](c2ccc(N3CCCCC3)cc2)N1C1CC1 ZINC000007886188 564124427 /nfs/dbraw/zinc/12/44/27/564124427.db2.gz FMXYZOFJRCEVLE-NRFANRHFSA-N 0 0 347.462 4.406 50 10 EICARN CN(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000028232386 564150784 /nfs/dbraw/zinc/15/07/84/564150784.db2.gz PPYDRXXALLUIOH-QGZVFWFLSA-N 0 0 345.443 4.171 50 10 EICARN O=C1c2ccccc2C(=O)c2c1cc(Cl)cc2N1CCCCC1 ZINC000004140724 564160918 /nfs/dbraw/zinc/16/09/18/564160918.db2.gz HFYHBCADEOLMHM-UHFFFAOYSA-N 0 0 325.795 4.106 50 10 EICARN N=C1/C(=C/c2cccs2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000004183519 564161078 /nfs/dbraw/zinc/16/10/78/564161078.db2.gz OQPKJAGKJYOJHX-CRFANRBNSA-N 0 0 337.429 4.052 50 10 EICARN CCOC(=O)c1ccoc1CSc1ncc(-c2ccccc2)n1C ZINC000010087838 564175050 /nfs/dbraw/zinc/17/50/50/564175050.db2.gz OWCWSQSKQDTGMI-UHFFFAOYSA-N 0 0 342.420 4.149 50 10 EICARN CN(C)c1ccc(/C=C\c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000033881004 1048385604 /nfs/dbraw/zinc/38/56/04/1048385604.db2.gz WAGJHLJMYZRCTL-NTMALXAHSA-N 0 0 325.393 4.441 50 10 EICARN COc1ccc(OC)c(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1 ZINC000004714474 210256133 /nfs/dbraw/zinc/25/61/33/210256133.db2.gz CYVSPICIGBHXOG-BOPFTXTBSA-N 0 0 339.416 4.073 50 10 EICARN O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1c1ccccc1 ZINC000054361155 214233260 /nfs/dbraw/zinc/23/32/60/214233260.db2.gz SJRCWBAQBBIFEN-WJDWOHSUSA-N 0 0 349.440 4.036 50 10 EICARN Cc1c(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cccc1[N+](=O)[O-] ZINC000004623241 210234374 /nfs/dbraw/zinc/23/43/74/210234374.db2.gz XXAPUSGVZQCMFP-UHFFFAOYSA-N 0 0 346.346 4.411 50 10 EICARN O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1 ZINC000004537641 210216416 /nfs/dbraw/zinc/21/64/16/210216416.db2.gz GEKDQXSPTHHANP-OUKQBFOZSA-N 0 0 339.398 4.010 50 10 EICARN CCOc1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 ZINC000100041106 219089024 /nfs/dbraw/zinc/08/90/24/219089024.db2.gz KJBKMANARWVXCI-MOSHPQCFSA-N 0 0 349.434 4.421 50 10 EICARN CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000004524111 210213473 /nfs/dbraw/zinc/21/34/73/210213473.db2.gz BCDFWRMGLBWQGU-DHZHZOJOSA-N 0 0 342.283 4.060 50 10 EICARN Cc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccccc3O)C2)cc1 ZINC000004292044 210162634 /nfs/dbraw/zinc/16/26/34/210162634.db2.gz DZJADUAYQUNCOD-GOSISDBHSA-N 0 0 346.386 4.285 50 10 EICARN CC(=O)c1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1 ZINC000004139493 210131253 /nfs/dbraw/zinc/13/12/53/210131253.db2.gz YCDNHXBICNPJFK-UHFFFAOYSA-N 0 0 330.438 4.103 50 10 EICARN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21 ZINC000004123640 210126527 /nfs/dbraw/zinc/12/65/27/210126527.db2.gz CLXVLQZKEKFOOF-NVGCLXPQSA-N 0 0 337.335 4.330 50 10 EICARN CN(c1ccc(C=O)cc1)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000004088206 210116983 /nfs/dbraw/zinc/11/69/83/210116983.db2.gz AYHHBZFWUTUWGB-UHFFFAOYSA-N 0 0 341.366 4.042 50 10 EICARN Cc1ccc(CSc2nnc3c(n2)OC=Nc2ccccc2-3)cc1 ZINC000003656386 210072522 /nfs/dbraw/zinc/07/25/22/210072522.db2.gz KKMPOSIMXFCNPH-UHFFFAOYSA-N 0 0 334.404 4.192 50 10 EICARN CC(=O)Nc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000003423032 210036645 /nfs/dbraw/zinc/03/66/45/210036645.db2.gz YBZIVPAYAAUDAY-UHFFFAOYSA-N 0 0 347.418 4.305 50 10 EICARN O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1c1ccc(O)cc1 ZINC000001091161 209710611 /nfs/dbraw/zinc/71/06/11/209710611.db2.gz RNLKLNRRJIILJA-HKWRFOASSA-N 0 0 340.382 4.227 50 10 EICARN COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c(OC)c1 ZINC000000342407 209542766 /nfs/dbraw/zinc/54/27/66/209542766.db2.gz LXQFANHJSZJDED-YVLHZVERSA-N 0 0 339.416 4.073 50 10 EICARN CC(C)CC1=NN2C(=NC(=O)/C(=C\c3cccc(Cl)c3)C2=N)S1 ZINC000000121402 209435482 /nfs/dbraw/zinc/43/54/82/209435482.db2.gz GNCDABKTNILNAX-PEMMUPCOSA-N 0 0 346.843 4.005 50 10 EICARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1Nc1ccccc1 ZINC000027533599 212561593 /nfs/dbraw/zinc/56/15/93/212561593.db2.gz PUMROWDKWGLDGI-QXAPVUDZSA-N 0 0 328.418 4.064 50 10 EICARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000013839882 211649728 /nfs/dbraw/zinc/64/97/28/211649728.db2.gz XGPCUXQHAWJICF-ZROIWOOFSA-N 0 0 347.848 4.451 50 10 EICARN Nc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000012477551 211391567 /nfs/dbraw/zinc/39/15/67/211391567.db2.gz ZJXNVHARJJXJOW-UHFFFAOYSA-N 0 0 344.414 4.308 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1C ZINC000008656992 210977585 /nfs/dbraw/zinc/97/75/85/210977585.db2.gz IQVMRVLQIZVCHR-GDNBJRDFSA-N 0 0 326.446 4.104 50 10 EICARN COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1O ZINC000007884333 210860204 /nfs/dbraw/zinc/86/02/04/210860204.db2.gz DZDNTTOCOAECJC-FQEVSTJZSA-N 0 0 346.386 4.172 50 10 EICARN Cc1ncc(/C=C\C(=O)N(Cc2cscn2)c2ccccc2)s1 ZINC000096405700 218756407 /nfs/dbraw/zinc/75/64/07/218756407.db2.gz JPVRUNWMEUNDPO-FPLPWBNLSA-N 0 0 341.461 4.155 50 10 EICARN CN(Cc1ccco1)C(=O)/C=C\c1ccc(N2CCCCCC2)cc1 ZINC000096879170 218895472 /nfs/dbraw/zinc/89/54/72/218895472.db2.gz BYYCIRNEQZXROD-RAXLEYEMSA-N 0 0 338.451 4.332 50 10 EICARN Cc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000005002814 210356834 /nfs/dbraw/zinc/35/68/34/210356834.db2.gz ISUKCTCCMKZRGQ-UHFFFAOYSA-N 0 0 341.366 4.023 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 ZINC000004953073 210338194 /nfs/dbraw/zinc/33/81/94/210338194.db2.gz KIWCROIEUJZDSB-XNTDXEJSSA-N 0 0 345.420 4.240 50 10 EICARN Cc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c(C)c1 ZINC000004819188 210285905 /nfs/dbraw/zinc/28/59/05/210285905.db2.gz WMWMTAKYRJGWJF-OQLLNIDSSA-N 0 0 326.446 4.104 50 10 EICARN CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(Cl)cc1Cl ZINC000000088666 563221448 /nfs/dbraw/zinc/22/14/48/563221448.db2.gz KMCTZTBEJZNCJM-INIZCTEOSA-N 0 0 349.217 4.397 50 10 EICARN O=C(Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)c1ccco1 ZINC000000123397 563235869 /nfs/dbraw/zinc/23/58/69/563235869.db2.gz QMQDJJVJCMQHOT-UHFFFAOYSA-N 0 0 332.311 4.272 50 10 biogenic EICARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2O)cc1 ZINC000000183493 563254811 /nfs/dbraw/zinc/25/48/11/563254811.db2.gz SCOCCPOJFVHDMP-FQEVSTJZSA-N 0 0 346.386 4.172 50 10 EICARN CCOC(=O)c1c(NCc2cc(C)ccc2O)sc2c1CCC2 ZINC000000348531 563288632 /nfs/dbraw/zinc/28/86/32/563288632.db2.gz YMMSKAJCQBTOIE-UHFFFAOYSA-N 0 0 331.437 4.040 50 10 EICARN Oc1ccccc1CNc1nnc(SCc2ccc(F)cc2)s1 ZINC000000407515 563307249 /nfs/dbraw/zinc/30/72/49/563307249.db2.gz RFASZKWWQUIDBR-UHFFFAOYSA-N 0 0 347.440 4.287 50 10 EICARN COc1ccc([C@@H](NC(=O)C(C)C)c2c(O)ccc3ccccc32)cc1 ZINC000000446325 563317390 /nfs/dbraw/zinc/31/73/90/563317390.db2.gz PVVXKVZDFCYHSG-OAQYLSRUSA-N 0 0 349.430 4.416 50 10 EICARN Cc1cccc(COc2cccc(C=C3SC(=S)NC3=O)c2)c1 ZINC000001182538 563377687 /nfs/dbraw/zinc/37/76/87/563377687.db2.gz PZRKFHROQASFGL-MHWRWJLKSA-N 0 0 341.457 4.063 50 10 EICARN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000001206372 563379132 /nfs/dbraw/zinc/37/91/32/563379132.db2.gz BVMMYTBDKKYXMK-LICLKQGHSA-N 0 0 340.448 4.377 50 10 EICARN O=C1/C(=C\c2ccccn2)SC(=S)N1c1cccc(Cl)c1 ZINC000008642630 563633987 /nfs/dbraw/zinc/63/39/87/563633987.db2.gz WMKXWYSTGKYXQZ-UKTHLTGXSA-N 0 0 332.837 4.141 50 10 EICARN CCOc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1OC ZINC000012804950 563674105 /nfs/dbraw/zinc/67/41/05/563674105.db2.gz MNHCCQRMUSIKQI-UHFFFAOYSA-N 0 0 343.404 4.296 50 10 EICARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cccc(C)c1 ZINC000015134087 563778763 /nfs/dbraw/zinc/77/87/63/563778763.db2.gz GLTYDQNKYCMVJK-BOPFTXTBSA-N 0 0 325.799 4.367 50 10 EICARN Cc1ccc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)cn1 ZINC000072043662 563860712 /nfs/dbraw/zinc/86/07/12/563860712.db2.gz WTDKSCOXODQHHF-UHFFFAOYSA-N 0 0 337.467 4.089 50 10 EICARN CCN1C(=O)/C(=C/C=C2/C=CN(CC)c3ccccc32)SC1=S ZINC000030731439 563910319 /nfs/dbraw/zinc/91/03/19/563910319.db2.gz OUISGIHZLXBQHG-ZTJWTMSASA-N 0 0 342.489 4.188 50 10 EICARN CCC(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O ZINC000000446233 563917472 /nfs/dbraw/zinc/91/74/72/563917472.db2.gz AWCFIQDSTVKBNT-GOSISDBHSA-N 0 0 340.810 4.209 50 10 biogenic EICARN COc1ccc(N(C)Cc2csc(-c3ccccc3)n2)cc1OC ZINC000058157007 563937973 /nfs/dbraw/zinc/93/79/73/563937973.db2.gz SVUIOKBTMFDAGX-UHFFFAOYSA-N 0 0 340.448 4.464 50 10 EICARN COc1ccc(OC)c(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)c1 ZINC000000199957 563988321 /nfs/dbraw/zinc/98/83/21/563988321.db2.gz OEJIKUOJCZLMPF-YBEGLDIGSA-N 0 0 336.387 4.302 50 10 EICARN Cc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1C ZINC000005234133 564001359 /nfs/dbraw/zinc/00/13/59/564001359.db2.gz IQVMRVLQIZVCHR-XNTDXEJSSA-N 0 0 326.446 4.104 50 10 EICARN Cc1ccc(NC(=S)NNc2ccc(F)cc2F)cc1Cl ZINC000003360687 564004452 /nfs/dbraw/zinc/00/44/52/564004452.db2.gz FYRMBXLBDRDODU-UHFFFAOYSA-N 0 0 327.787 4.240 50 10 EICARN Cc1c2cc(F)ccc2oc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000018150552 564018431 /nfs/dbraw/zinc/01/84/31/564018431.db2.gz YUTUNGLADJGSIC-UHFFFAOYSA-N 0 0 340.398 4.219 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000101128735 564019241 /nfs/dbraw/zinc/01/92/41/564019241.db2.gz NFANMZMVXGDSLD-MHWRWJLKSA-N 0 0 329.762 4.198 50 10 EICARN Cc1cccc(NC=C2SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000101937158 564019695 /nfs/dbraw/zinc/01/96/95/564019695.db2.gz YVAXZVWNQJBGEK-GDNBJRDFSA-N 0 0 344.436 4.452 50 10 EICARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000108096330 564027735 /nfs/dbraw/zinc/02/77/35/564027735.db2.gz MVZHBBXHRCHRIR-WOJGMQOQSA-N 0 0 339.826 4.212 50 10 EICARN O=C1N=C(Nc2cccc(C(F)(F)F)c2)SC1=Cc1cccnc1 ZINC000005813647 564033027 /nfs/dbraw/zinc/03/30/27/564033027.db2.gz NJMIKBJSWJTZPE-NTUHNPAUSA-N 0 0 349.337 4.183 50 10 EICARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1Cc1ccccc1 ZINC000001176088 564056218 /nfs/dbraw/zinc/05/62/18/564056218.db2.gz YHSBXXPINTVKRS-VVGDYKIKSA-N 0 0 327.430 4.237 50 10 EICARN COc1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001248798 564062704 /nfs/dbraw/zinc/06/27/04/564062704.db2.gz JJAGDUQPFNKARS-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN CN(C)c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1 ZINC000026081930 564074886 /nfs/dbraw/zinc/07/48/86/564074886.db2.gz KVMDIDFNNWRPAK-UHFFFAOYSA-N 0 0 342.870 4.144 50 10 EICARN COc1cccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1 ZINC000002259426 564125343 /nfs/dbraw/zinc/12/53/43/564125343.db2.gz YOTJFADZEQNFRH-DHDCSXOGSA-N 0 0 345.420 4.240 50 10 EICARN Cc1n[nH]c(=O)c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1C ZINC000245285566 564168968 /nfs/dbraw/zinc/16/89/68/564168968.db2.gz XQQFUMYBBULGEV-UHFFFAOYSA-N 0 0 347.378 4.054 50 10 EICARN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000077258337 564176702 /nfs/dbraw/zinc/17/67/02/564176702.db2.gz XLYXBMFXXPVPQM-GJZGRUSLSA-N 0 0 349.352 4.173 50 10 EICARN CC(C)Sc1cccc(Cl)c1C=C1SC(=S)NC1=O ZINC000588561656 1027790159 /nfs/dbraw/zinc/79/01/59/1027790159.db2.gz QVPSKSNOWYSOAC-IZZDOVSWSA-N 0 0 329.899 4.329 50 10 EICARN Cn1ccc(/C=C\C(=O)N(Cc2cccs2)c2ccc(F)cc2)c1 ZINC000606444148 1043067743 /nfs/dbraw/zinc/06/77/43/1043067743.db2.gz XENBTKYFNOYJKD-WTKPLQERSA-N 0 0 340.423 4.472 50 10 EICARN Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1ccccc1)c1ccccc1 ZINC000095348853 1047731698 /nfs/dbraw/zinc/73/16/98/1047731698.db2.gz OGWVAWZNPYSFAQ-CCEZHUSRSA-N 0 0 345.446 4.284 50 10 EICARN CN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000055371833 214314300 /nfs/dbraw/zinc/31/43/00/214314300.db2.gz JOYWVNFXPQUIAZ-FOWTUZBSSA-N 0 0 340.473 4.158 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004619125 210232587 /nfs/dbraw/zinc/23/25/87/210232587.db2.gz AVXVXNKSLRNVSY-HLIPFELVSA-N 0 0 349.390 4.380 50 10 EICARN Cc1cnn(CC2CC2)c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000063848414 214771015 /nfs/dbraw/zinc/77/10/15/214771015.db2.gz PCANTDLLOYFHCJ-UHFFFAOYSA-N 0 0 348.450 4.261 50 10 EICARN CNc1ccc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000004521757 210213625 /nfs/dbraw/zinc/21/36/25/210213625.db2.gz TVBNRFCUTVWHQB-UHFFFAOYSA-N 0 0 328.371 4.247 50 10 EICARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCc1ccccc1 ZINC000100111156 219091811 /nfs/dbraw/zinc/09/18/11/219091811.db2.gz SEQJYIXCEJRACN-NBVRZTHBSA-N 0 0 337.398 4.002 50 10 EICARN O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccc(Cl)c1 ZINC000004477963 210198278 /nfs/dbraw/zinc/19/82/78/210198278.db2.gz KOGFOOUMABYCIX-NTUHNPAUSA-N 0 0 332.837 4.141 50 10 EICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNNc1ccc(C)c(C)c1 ZINC000004413333 210189847 /nfs/dbraw/zinc/18/98/47/210189847.db2.gz RMKPBMLLKKKHTR-NDENLUEZSA-N 0 0 348.450 4.143 50 10 EICARN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1 ZINC000100921141 219111753 /nfs/dbraw/zinc/11/17/53/219111753.db2.gz QFIAAERAQWULMH-RGEXLXHISA-N 0 0 347.414 4.262 50 10 EICARN Cc1ccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCCO4)n2c1 ZINC000101316681 219121135 /nfs/dbraw/zinc/12/11/35/219121135.db2.gz PLKUHMAFXYMQDZ-UHFFFAOYSA-N 0 0 347.374 4.418 50 10 EICARN C[C@@H]1Cc2cc(/C=C3/SC(=S)N(C4CCCC4)C3=O)ccc2O1 ZINC000002435194 209850894 /nfs/dbraw/zinc/85/08/94/209850894.db2.gz HSZVXVYOUBJQAX-HPUUJOOBSA-N 0 0 345.489 4.154 50 10 EICARN COc1ccccc1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O ZINC000000971677 209696639 /nfs/dbraw/zinc/69/66/39/209696639.db2.gz FFEBBDNRRKNEKX-OQLLNIDSSA-N 0 0 345.420 4.240 50 10 EICARN S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCOCC1 ZINC000000189858 209472760 /nfs/dbraw/zinc/47/27/60/209472760.db2.gz IESKYNVLWYKSKO-UHFFFAOYSA-N 0 0 342.247 4.261 50 10 EICARN Cc1cc(C(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000028265744 212612063 /nfs/dbraw/zinc/61/20/63/212612063.db2.gz CJLDPPLPTJIKDL-UHFFFAOYSA-N 0 0 348.402 4.118 50 10 EICARN Cc1c(Cl)c(O)c(C(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000000065416 209397100 /nfs/dbraw/zinc/39/71/00/209397100.db2.gz MLAWOIICTZPZQT-UHFFFAOYSA-N 0 0 339.844 4.278 50 10 EICARN COc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 ZINC000027533641 212561627 /nfs/dbraw/zinc/56/16/27/212561627.db2.gz DXEBBWIGHFOWAN-XEXQVEHGSA-N 0 0 343.429 4.250 50 10 EICARN C[N@H+](Cc1cc(Br)c2cccnc2c1[O-])C1CCCCC1 ZINC000020219916 212113482 /nfs/dbraw/zinc/11/34/82/212113482.db2.gz XIGQYZKYZRGFSZ-UHFFFAOYSA-N 0 0 349.272 4.467 50 10 EICARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N)cc1 ZINC000019736664 212059682 /nfs/dbraw/zinc/05/96/82/212059682.db2.gz JXEVEGHIEOUDCH-OAHLLOKOSA-N 0 0 332.403 4.342 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000013778836 211635689 /nfs/dbraw/zinc/63/56/89/211635689.db2.gz XAXOEAIHQDRXOH-PTNGSMBKSA-N 0 0 333.478 4.229 50 10 EICARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCC[C@@H](C)C1 ZINC000012338915 211352074 /nfs/dbraw/zinc/35/20/74/211352074.db2.gz ZYCFETBRODNEIM-PNMKSJJBSA-N 0 0 344.415 4.084 50 10 EICARN Cc1cc(CNC(=O)NC2CCCC2)c(C)n1-c1ccc(C)cc1 ZINC000009228567 211055172 /nfs/dbraw/zinc/05/51/72/211055172.db2.gz BNNRNUBMAMULNS-UHFFFAOYSA-N 0 0 325.456 4.144 50 10 EICARN COc1ccccc1NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000009228833 211057194 /nfs/dbraw/zinc/05/71/94/211057194.db2.gz QNTBSVFXWWEOBX-UHFFFAOYSA-N 0 0 349.434 4.424 50 10 EICARN Cc1nc2ncccc2c(NCc2ccc(N3CCC[C@H](C)C3)cc2)n1 ZINC000095391482 218322784 /nfs/dbraw/zinc/32/27/84/218322784.db2.gz TUSKLKBQDPIUDY-HNNXBMFYSA-N 0 0 347.466 4.182 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C)cc1 ZINC000004982658 210348675 /nfs/dbraw/zinc/34/86/75/210348675.db2.gz HESNVCSNRNBSHK-BOPFTXTBSA-N 0 0 325.799 4.367 50 10 EICARN O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@@H]1c1cccs1 ZINC000004942496 210334902 /nfs/dbraw/zinc/33/49/02/210334902.db2.gz KONTWVNJNFSLAV-CQSZACIVSA-N 0 0 338.388 4.038 50 10 EICARN COc1ccc(-n2cnc3cc(NCc4ccccc4O)ccc32)cc1 ZINC000000034532 563211920 /nfs/dbraw/zinc/21/19/20/563211920.db2.gz ZGHBPZSDEAOJQX-UHFFFAOYSA-N 0 0 345.402 4.352 50 10 EICARN COc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000000075987 563216867 /nfs/dbraw/zinc/21/68/67/563216867.db2.gz IZGKPJDRTILMOI-UHFFFAOYSA-N 0 0 343.382 4.082 50 10 EICARN COc1cc(Br)cc(CNc2ccc(F)cc2F)c1O ZINC000000135851 563240516 /nfs/dbraw/zinc/24/05/16/563240516.db2.gz ZNRJPKUGUBBVHS-UHFFFAOYSA-N 0 0 344.155 4.054 50 10 EICARN CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000000446481 563317358 /nfs/dbraw/zinc/31/73/58/563317358.db2.gz WIIVTVUNBAATAJ-QFIPXVFZSA-N 0 0 348.446 4.227 50 10 EICARN CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000446494 563317406 /nfs/dbraw/zinc/31/74/06/563317406.db2.gz SKZBGNMWVSVHQY-XNTDXEJSSA-N 0 0 340.762 4.247 50 10 EICARN Cc1cccc(COc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000001179648 563377696 /nfs/dbraw/zinc/37/76/96/563377696.db2.gz BBXBMBDPYRFUML-MHWRWJLKSA-N 0 0 341.457 4.063 50 10 EICARN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1Cc1ccco1 ZINC000001454887 563389938 /nfs/dbraw/zinc/38/99/38/563389938.db2.gz OUXUMLLSTAUKEE-MDWZMJQESA-N 0 0 335.837 4.334 50 10 EICARN COc1cccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1OC ZINC000002738544 563447751 /nfs/dbraw/zinc/44/77/51/563447751.db2.gz PRALBDGHEHNWRA-WJDWOHSUSA-N 0 0 339.416 4.073 50 10 EICARN COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000013563707 563701724 /nfs/dbraw/zinc/70/17/24/563701724.db2.gz WNYWLELJYZZFEE-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN CCc1ccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)cc1 ZINC000013810263 563724155 /nfs/dbraw/zinc/72/41/55/563724155.db2.gz YAHKNGWXAVVUBR-YBEGLDIGSA-N 0 0 342.489 4.145 50 10 EICARN CN(C1=NC(=O)/C(=C\C=C\c2ccccc2)S1)c1ccc(O)cc1 ZINC000015746659 563791762 /nfs/dbraw/zinc/79/17/62/563791762.db2.gz KFESTKZPAVEVHA-BDKUJZOCSA-N 0 0 336.416 4.055 50 10 EICARN O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000016400268 563810493 /nfs/dbraw/zinc/81/04/93/563810493.db2.gz JDDKAACSYQJFJN-ZROIWOOFSA-N 0 0 347.848 4.451 50 10 EICARN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2cnco2)cc1 ZINC000058016428 563936717 /nfs/dbraw/zinc/93/67/17/563936717.db2.gz YMYMLZGNXRDVEX-UHFFFAOYSA-N 0 0 349.434 4.070 50 10 EICARN Cn1c2ccccc2nc1[C@H]1CCCN1Cc1c(O)cccc1Cl ZINC000097032710 563966831 /nfs/dbraw/zinc/96/68/31/563966831.db2.gz NPFXBDKQBYXHSC-QGZVFWFLSA-N 0 0 341.842 4.269 50 10 EICARN Cc1nc2cc(C)ccn2c1-c1csc(Nc2ccc(N)cc2)n1 ZINC000000089197 563976455 /nfs/dbraw/zinc/97/64/55/563976455.db2.gz NURNWVMMWRJGSB-UHFFFAOYSA-N 0 0 335.436 4.400 50 10 EICARN CC[N@H+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C1CCCCC1 ZINC000000122757 563986837 /nfs/dbraw/zinc/98/68/37/563986837.db2.gz VALXNNILOGGICK-UHFFFAOYSA-N 0 0 341.451 4.142 50 10 biogenic EICARN COc1cc2c(cc1NCn1nnc3ccccc31)oc1ccccc12 ZINC000005586757 564005987 /nfs/dbraw/zinc/00/59/87/564005987.db2.gz QWUUJTFQWKEMEL-UHFFFAOYSA-N 0 0 344.374 4.409 50 10 EICARN Cc1cc(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)no1 ZINC000062647854 564007063 /nfs/dbraw/zinc/00/70/63/564007063.db2.gz WYJTXDUSXIWCME-UHFFFAOYSA-N 0 0 342.443 4.074 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000016692946 564009682 /nfs/dbraw/zinc/00/96/82/564009682.db2.gz PLCADXKCEUVCGJ-PTNGSMBKSA-N 0 0 327.430 4.101 50 10 EICARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(F)cc1 ZINC000101125459 564019254 /nfs/dbraw/zinc/01/92/54/564019254.db2.gz JQMZZFFTJMEUBE-MHWRWJLKSA-N 0 0 329.762 4.198 50 10 EICARN CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000013547580 564020255 /nfs/dbraw/zinc/02/02/55/564020255.db2.gz CEYJLJDJBSSALE-WJDWOHSUSA-N 0 0 341.457 4.097 50 10 EICARN Cc1ccsc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000015015228 564023934 /nfs/dbraw/zinc/02/39/34/564023934.db2.gz DTSOGIGLPLKTGH-ZROIWOOFSA-N 0 0 331.487 4.458 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1C ZINC000044826973 564027186 /nfs/dbraw/zinc/02/71/86/564027186.db2.gz GNSSVOWXFRLORV-PTNGSMBKSA-N 0 0 325.799 4.367 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)c(Cl)c1 ZINC000044965562 564027927 /nfs/dbraw/zinc/02/79/27/564027927.db2.gz JPJYTFWNWVTDND-WJDWOHSUSA-N 0 0 325.799 4.367 50 10 EICARN CCCN(Cc1ccccc1O)C(=O)c1cc(O)c2ccccc2c1 ZINC000225402405 564046425 /nfs/dbraw/zinc/04/64/25/564046425.db2.gz YNWVKUPTXTYDSB-UHFFFAOYSA-N 0 0 335.403 4.303 50 10 EICARN COc1ccc2ccccc2c1[C@@H]1NN=C(c2ccccc2O)S1 ZINC000003132091 564051547 /nfs/dbraw/zinc/05/15/47/564051547.db2.gz AFGSUGYUMCRAAS-LJQANCHMSA-N 0 0 336.416 4.251 50 10 EICARN CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S ZINC000001206546 564056430 /nfs/dbraw/zinc/05/64/30/564056430.db2.gz WDQMCYRBECGYCS-WJDWOHSUSA-N 0 0 341.457 4.097 50 10 EICARN COc1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000005918523 564056968 /nfs/dbraw/zinc/05/69/68/564056968.db2.gz XUAYCRBBZLWCOG-RVDMUPIBSA-N 0 0 333.478 4.229 50 10 EICARN COc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000001422152 564066685 /nfs/dbraw/zinc/06/66/85/564066685.db2.gz FTDYXFIYFSZXIR-UHFFFAOYSA-N 0 0 331.375 4.127 50 10 EICARN CN(Cc1cc2c(cc1O)OCO2)Cc1cccc(Cl)c1Cl ZINC000016352450 564082239 /nfs/dbraw/zinc/08/22/39/564082239.db2.gz RTUAMOCTGRMFQK-UHFFFAOYSA-N 0 0 340.206 4.060 50 10 EICARN COc1ccc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000006249477 564083235 /nfs/dbraw/zinc/08/32/35/564083235.db2.gz OFYKCNOAQDZOCF-UHFFFAOYSA-N 0 0 334.419 4.033 50 10 EICARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)c(C)n1-c1ccccn1 ZINC000089580057 564093020 /nfs/dbraw/zinc/09/30/20/564093020.db2.gz YHKXQDUXBVIRHT-HXUWFJFHSA-N 0 0 345.446 4.466 50 10 EICARN Cc1ccccc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000006804306 564098325 /nfs/dbraw/zinc/09/83/25/564098325.db2.gz HHDMCXRKHMYAQD-UHFFFAOYSA-N 0 0 348.446 4.497 50 10 EICARN CCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000006308593 564117405 /nfs/dbraw/zinc/11/74/05/564117405.db2.gz YFDKBZAOKAAIAZ-WJDWOHSUSA-N 0 0 345.489 4.397 50 10 EICARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1C(F)(F)F ZINC000007701125 564122073 /nfs/dbraw/zinc/12/20/73/564122073.db2.gz INKAJMAXIOLQKP-RAXLEYEMSA-N 0 0 340.370 4.162 50 10 EICARN CCC(CC)C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O ZINC000095945155 564142161 /nfs/dbraw/zinc/14/21/61/564142161.db2.gz XEIZLXNMBWEWHR-MRXNPFEDSA-N 0 0 326.396 4.099 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c(C)c1 ZINC000057429488 564154273 /nfs/dbraw/zinc/15/42/73/564154273.db2.gz QFTLCQAWGCEBDF-GDNBJRDFSA-N 0 0 328.462 4.048 50 10 EICARN Cc1ccccc1NC1=NC(=O)C(=Cc2csc([N+](=O)[O-])c2)S1 ZINC000059404887 564161204 /nfs/dbraw/zinc/16/12/04/564161204.db2.gz LAKQWKRZIGBVBV-SDQBBNPISA-N 0 0 345.405 4.047 50 10 EICARN CN(C)c1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000008171848 564163310 /nfs/dbraw/zinc/16/33/10/564163310.db2.gz BIEFYBOJYHOCDP-UHFFFAOYSA-N 0 0 345.446 4.108 50 10 EICARN CC(=O)c1c(F)cccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000042097482 564174646 /nfs/dbraw/zinc/17/46/46/564174646.db2.gz ZUIACTQAQPQRLK-UHFFFAOYSA-N 0 0 335.382 4.198 50 10 EICARN CCn1c(/C=C/c2cn(C)c3ccccc23)nc2ccccc2c1=O ZINC000004600348 210230115 /nfs/dbraw/zinc/23/01/15/210230115.db2.gz JGPWKVUHOJGFAX-OUKQBFOZSA-N 0 0 329.403 4.079 50 10 EICARN CC(=O)C(N=Nc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000100044913 219089078 /nfs/dbraw/zinc/08/90/78/219089078.db2.gz QGNDAXYFYSPDKJ-ZIWPDZPSSA-N 0 0 340.339 4.415 50 10 EICARN Cc1cccc(NC=C2SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000100146581 219092410 /nfs/dbraw/zinc/09/24/10/219092410.db2.gz UHXKPOSVETXSEG-PTNGSMBKSA-N 0 0 332.494 4.441 50 10 EICARN CCCCc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1 ZINC000004511002 210209262 /nfs/dbraw/zinc/20/92/62/210209262.db2.gz KOQKZTIXMWHDDE-HKWRFOASSA-N 0 0 348.446 4.440 50 10 EICARN CN(C1=NC(=O)/C(=C\c2ccccc2Cl)S1)c1ccc(O)cc1 ZINC000004468175 210195091 /nfs/dbraw/zinc/19/50/91/210195091.db2.gz CLOCQLRJGDGSRO-XNTDXEJSSA-N 0 0 344.823 4.152 50 10 EICARN COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@H]21 ZINC000101151640 219117918 /nfs/dbraw/zinc/11/79/18/219117918.db2.gz PSPLPPYNGLDIRF-OYUZRVEBSA-N 0 0 326.396 4.414 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(C)c1 ZINC000004180242 210140296 /nfs/dbraw/zinc/14/02/96/210140296.db2.gz CBLOQKHGVSSTBY-GZTJUZNOSA-N 0 0 325.799 4.367 50 10 EICARN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21 ZINC000004123626 210126681 /nfs/dbraw/zinc/12/66/81/210126681.db2.gz CLXVLQZKEKFOOF-XWCIJXRUSA-N 0 0 337.335 4.330 50 10 EICARN CCCCn1cnc2cc(NCc3cccc(OC)c3OC)ccc21 ZINC000003907443 210091725 /nfs/dbraw/zinc/09/17/25/210091725.db2.gz AEVQTRVSKDZNJP-UHFFFAOYSA-N 0 0 339.439 4.466 50 10 EICARN CC1=NN(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000003863555 210080434 /nfs/dbraw/zinc/08/04/34/210080434.db2.gz IAUBDXVMSJGWHP-FOWTUZBSSA-N 0 0 339.826 4.212 50 10 EICARN CCc1cccc(CC)c1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000040023974 213251939 /nfs/dbraw/zinc/25/19/39/213251939.db2.gz KQGDDEGTRVVYMI-UHFFFAOYSA-N 0 0 325.456 4.199 50 10 EICARN Cc1cccc(C)c1N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000001135939 209713383 /nfs/dbraw/zinc/71/33/83/209713383.db2.gz SOSWNOOHUORSRB-ZROIWOOFSA-N 0 0 326.446 4.104 50 10 EICARN S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCOCC1 ZINC000000547250 209659323 /nfs/dbraw/zinc/65/93/23/209659323.db2.gz WOHXXLNZHJZIFM-UHFFFAOYSA-N 0 0 342.247 4.261 50 10 EICARN Cc1ccc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 ZINC000000509382 209641306 /nfs/dbraw/zinc/64/13/06/209641306.db2.gz QEBFRVGOJHWHJK-PHMXDFFTSA-N 0 0 345.427 4.299 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O ZINC000000498931 209636167 /nfs/dbraw/zinc/63/61/67/209636167.db2.gz YOCHRCSMBNNZQG-QGZVFWFLSA-N 0 0 348.427 4.445 50 10 EICARN COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2cc(C)ccn21 ZINC000035616048 213042690 /nfs/dbraw/zinc/04/26/90/213042690.db2.gz QRMLIEJEGQYFQG-UHFFFAOYSA-N 0 0 347.374 4.433 50 10 EICARN O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000000398999 209568482 /nfs/dbraw/zinc/56/84/82/209568482.db2.gz RMDJHCGTHAGOQD-UHFFFAOYSA-N 0 0 340.378 4.277 50 10 EICARN Cc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)c(Cl)c1O ZINC000000065431 209396910 /nfs/dbraw/zinc/39/69/10/209396910.db2.gz FPMUWLLQWSYUSS-UHFFFAOYSA-N 0 0 339.844 4.278 50 10 EICARN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c(C)cc(=O)oc21 ZINC000019789539 212067018 /nfs/dbraw/zinc/06/70/18/212067018.db2.gz KOBRSAVGLLIUTE-GFCCVEGCSA-N 0 0 335.831 4.225 50 10 EICARN CC1=NN(c2ccccc2Cl)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000013915508 211656472 /nfs/dbraw/zinc/65/64/72/211656472.db2.gz IAUBDXVMSJGWHP-VBKFSLOCSA-N 0 0 339.826 4.212 50 10 EICARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)o1 ZINC000009188763 211050561 /nfs/dbraw/zinc/05/05/61/211050561.db2.gz QRRJVVVLOKLHCZ-GDNBJRDFSA-N 0 0 344.461 4.060 50 10 EICARN CCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)SC1=S ZINC000005863298 210549743 /nfs/dbraw/zinc/54/97/43/210549743.db2.gz NIJRFDJPFSETBH-NTCAYCPXSA-N 0 0 334.510 4.144 50 10 EICARN Oc1c(Br)cccc1CNc1cncc2ccccc21 ZINC000097022125 218918057 /nfs/dbraw/zinc/91/80/57/218918057.db2.gz DEESNNJBJJWROC-UHFFFAOYSA-N 0 0 329.197 4.315 50 10 EICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000004982638 210348647 /nfs/dbraw/zinc/34/86/47/210348647.db2.gz BREXCJZPEUHTIW-MOSHPQCFSA-N 0 0 333.435 4.176 50 10 EICARN O=C(Nc1cccc(N2CCCC2)c1)c1cc(F)c(F)cc1Cl ZINC000000381869 563300051 /nfs/dbraw/zinc/30/00/51/563300051.db2.gz VCLHCQSOWFYGSD-UHFFFAOYSA-N 0 0 336.769 4.471 50 10 EICARN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000000407891 563307305 /nfs/dbraw/zinc/30/73/05/563307305.db2.gz ABTUOYUETFJRLF-OAHLLOKOSA-N 0 0 349.430 4.398 50 10 biogenic EICARN COc1ccc(CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000001165230 563376954 /nfs/dbraw/zinc/37/69/54/563376954.db2.gz ZJTDGEPQWRXDJT-ZROIWOOFSA-N 0 0 347.486 4.158 50 10 EICARN CC(C)CN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000001305664 563383121 /nfs/dbraw/zinc/38/31/21/563383121.db2.gz KMWBFXBSRJZTLE-DZZSIBQASA-N 0 0 345.489 4.251 50 10 EICARN CCCCCc1c(O)n2c3ccccc3c(-c3ccccc3)cn2c1=O ZINC000001680067 563402690 /nfs/dbraw/zinc/40/26/90/563402690.db2.gz KATBVKFXGKGUFE-SFHVURJKSA-N 0 0 346.430 4.376 50 10 in-man EICARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000013547655 563701067 /nfs/dbraw/zinc/70/10/67/563701067.db2.gz IERIUMHYIJOGQO-JYRVWZFOSA-N 0 0 341.263 4.450 50 10 EICARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000014011292 563735264 /nfs/dbraw/zinc/73/52/64/563735264.db2.gz UPOGZXABQLMYAM-AUWJEWJLSA-N 0 0 348.880 4.236 50 10 EICARN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)c1ccccc1 ZINC000015628907 563788744 /nfs/dbraw/zinc/78/87/44/563788744.db2.gz SBBZTXWWKXZKQS-CCEZHUSRSA-N 0 0 331.419 4.165 50 10 EICARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccc(O)cc1 ZINC000016677501 563820157 /nfs/dbraw/zinc/82/01/57/563820157.db2.gz XRKIWRHYBPPGMP-QSJINSDNSA-N 0 0 339.441 4.354 50 10 EICARN COc1ccccc1/C=C1/SC(=S)N(C2CCCCC2)C1=O ZINC000033368829 563915972 /nfs/dbraw/zinc/91/59/72/563915972.db2.gz XAXOEAIHQDRXOH-RVDMUPIBSA-N 0 0 333.478 4.229 50 10 EICARN N=C1/C(=C\c2cccs2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000013810053 563935155 /nfs/dbraw/zinc/93/51/55/563935155.db2.gz OQPKJAGKJYOJHX-UMNMHFGOSA-N 0 0 337.429 4.052 50 10 EICARN Cn1c2ccccc2nc1[C@@H]1CCCN1Cc1c(O)cccc1Cl ZINC000097032709 563966812 /nfs/dbraw/zinc/96/68/12/563966812.db2.gz NPFXBDKQBYXHSC-KRWDZBQOSA-N 0 0 341.842 4.269 50 10 EICARN Cc1nc2sccn2c1-c1csc(Nc2ccc(N)cc2)n1 ZINC000000089095 563976466 /nfs/dbraw/zinc/97/64/66/563976466.db2.gz HMYHCGVNJAZYSV-UHFFFAOYSA-N 0 0 327.438 4.154 50 10 EICARN O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccccc1F ZINC000005201263 564000489 /nfs/dbraw/zinc/00/04/89/564000489.db2.gz MWAKCJBIOXDVII-NTEUORMPSA-N 0 0 333.384 4.371 50 10 EICARN CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000005247939 564001435 /nfs/dbraw/zinc/00/14/35/564001435.db2.gz MVZHBBXHRCHRIR-WQRHYEAKSA-N 0 0 339.826 4.212 50 10 EICARN COc1ccc2c(/C=C3\C(=O)Nc4cc(Cl)ccc43)cn(C)c2c1 ZINC000062001624 564002672 /nfs/dbraw/zinc/00/26/72/564002672.db2.gz WARRZPNERXLDJY-APSNUPSMSA-N 0 0 338.794 4.333 50 10 biogenic EICARN CC1=CC(C)(C)N=C(Nc2nc3ccccc3c(-c3ccccc3)n2)N1 ZINC000000553052 564023038 /nfs/dbraw/zinc/02/30/38/564023038.db2.gz DXICUHJLOMNKOU-UHFFFAOYSA-N 0 0 343.434 4.350 50 10 EICARN Cc1ccccc1COc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000001182142 564056258 /nfs/dbraw/zinc/05/62/58/564056258.db2.gz SOBWJAMALJCSBS-YBEGLDIGSA-N 0 0 341.457 4.063 50 10 EICARN COC(=O)c1ccc(C(=O)Nc2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000012528513 564058184 /nfs/dbraw/zinc/05/81/84/564058184.db2.gz XALYHOLQGIPBNX-UHFFFAOYSA-N 0 0 348.402 4.133 50 10 EICARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccccc1F ZINC000001250476 564062718 /nfs/dbraw/zinc/06/27/18/564062718.db2.gz RSBICGBLPFEQIK-ZROIWOOFSA-N 0 0 333.384 4.371 50 10 EICARN Cc1cccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c1C ZINC000001835799 564088755 /nfs/dbraw/zinc/08/87/55/564088755.db2.gz RHXVXUWXDWCMFP-GDNBJRDFSA-N 0 0 326.446 4.104 50 10 EICARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3cc(C)nn32)c(O)c1 ZINC000006569921 564092164 /nfs/dbraw/zinc/09/21/64/564092164.db2.gz XQUBUAPAOAEPFQ-OAQYLSRUSA-N 0 0 348.450 4.383 50 10 EICARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000224692615 564118014 /nfs/dbraw/zinc/11/80/14/564118014.db2.gz ZJRRXSHPDQPRCB-VKJFTORMSA-N 0 0 337.335 4.330 50 10 EICARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1CCc1ccccc1 ZINC000002416523 564134798 /nfs/dbraw/zinc/13/47/98/564134798.db2.gz BWPDXDKPVUHCEO-VBKFSLOCSA-N 0 0 343.448 4.270 50 10 EICARN COC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCCC3 ZINC000002513376 564150309 /nfs/dbraw/zinc/15/03/09/564150309.db2.gz UBUTZYDIZYOOSJ-UHFFFAOYSA-N 0 0 338.432 4.211 50 10 EICARN Cc1cccc(NC2=NC(=O)C(=Cc3ccc(F)c(F)c3)S2)c1 ZINC000057438685 564154298 /nfs/dbraw/zinc/15/42/98/564154298.db2.gz AMPQGPGNZJCDBS-DHDCSXOGSA-N 0 0 330.359 4.356 50 10 EICARN CN(C)c1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000003183060 564155748 /nfs/dbraw/zinc/15/57/48/564155748.db2.gz FJDMKDRRQPSEFQ-XMHGGMMESA-N 0 0 348.446 4.395 50 10 EICARN Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccccc1F ZINC000003243105 564156509 /nfs/dbraw/zinc/15/65/09/564156509.db2.gz WVBWCGCTOWVHQS-UHFFFAOYSA-N 0 0 328.431 4.148 50 10 EICARN CCO[C@H](C)c1nc(C)c(C(=O)N[C@@H](CC)c2ccccc2O)s1 ZINC000077006165 564176562 /nfs/dbraw/zinc/17/65/62/564176562.db2.gz APZXWCHFJXIJNO-OCCSQVGLSA-N 0 0 348.468 4.136 50 10 EICARN COc1cccc(C2=N[C@](C)(C(C)C)N[C@H](c3ccccc3O)C2)c1 ZINC000004729828 210262643 /nfs/dbraw/zinc/26/26/43/210262643.db2.gz IWBQKXZUVIHQAZ-FPOVZHCZSA-N 0 0 338.451 4.297 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(Br)c1 ZINC000100147862 219092064 /nfs/dbraw/zinc/09/20/64/219092064.db2.gz GHFRAENFULXQGA-LFIBNONCSA-N 0 0 341.208 4.255 50 10 EICARN CC1=NN(c2ccccc2)C(=S)C1=CN[C@H](C)Cc1ccccc1 ZINC000100289387 219095825 /nfs/dbraw/zinc/09/58/25/219095825.db2.gz CTOKZEAOGJYBFJ-WBFOAEISSA-N 0 0 335.476 4.315 50 10 EICARN CN(C1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1)c1ccc(O)cc1 ZINC000004464209 210195427 /nfs/dbraw/zinc/19/54/27/210195427.db2.gz JRBUSKXNESLGQP-XNTDXEJSSA-N 0 0 344.823 4.152 50 10 EICARN O=[N+]([O-])c1ccccc1[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@H]21 ZINC000004123621 210126663 /nfs/dbraw/zinc/12/66/63/210126663.db2.gz CLXVLQZKEKFOOF-JKDFXYPNSA-N 0 0 337.335 4.330 50 10 EICARN CCN(CC)c1ccc([C@@H]2Nc3sc(C)c(C)c3C(=O)N2)cc1 ZINC000004062877 210111607 /nfs/dbraw/zinc/11/16/07/210111607.db2.gz MRYXGOANIYHZNH-INIZCTEOSA-N 0 0 329.469 4.065 50 10 EICARN CCn1c(/C=C/c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O ZINC000004003262 210098475 /nfs/dbraw/zinc/09/84/75/210098475.db2.gz YAQDUTBXTZQHJG-BUHFOSPRSA-N 0 0 343.430 4.387 50 10 EICARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\c2ccccc2N(C)C1=O ZINC000003325930 210007768 /nfs/dbraw/zinc/00/77/68/210007768.db2.gz FGVDLFNOZOXAOP-SFQUDFHCSA-N 0 0 349.821 4.351 50 10 EICARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1cccc(O)c1 ZINC000001297967 209723892 /nfs/dbraw/zinc/72/38/92/209723892.db2.gz GVZJXROGQXXXMJ-ZSOIEALJSA-N 0 0 347.848 4.451 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000000970813 209697243 /nfs/dbraw/zinc/69/72/43/209697243.db2.gz VNKSNXSXZRIHGM-SIFCLUCFSA-N 0 0 349.390 4.380 50 10 EICARN CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1 ZINC000000177906 209466880 /nfs/dbraw/zinc/46/68/80/209466880.db2.gz GSPXGMBCBXBKHN-UHFFFAOYSA-N 0 0 347.374 4.406 50 10 EICARN CC(=O)Oc1cccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c1 ZINC000000119329 209433813 /nfs/dbraw/zinc/43/38/13/209433813.db2.gz ZGXLAEWCZIRLDM-OQLLNIDSSA-N 0 0 340.762 4.247 50 10 EICARN FC(F)(F)c1cc(/N=N/N2CCOCC2)cc(C(F)(F)F)c1 ZINC000000075141 209402788 /nfs/dbraw/zinc/40/27/88/209402788.db2.gz AWKCGZXVPYRMRM-FMQUCBEESA-N 0 0 327.228 4.055 50 10 EICARN Cc1c(C)c2cc(Cl)c([O-])c(C[N@H+]3CCC[C@@H](C)C3)c2oc1=O ZINC000020292563 212117265 /nfs/dbraw/zinc/11/72/65/212117265.db2.gz CSECEVUEOJVQDB-SNVBAGLBSA-N 0 0 335.831 4.001 50 10 EICARN CC[NH+](CC)Cc1c2c(C(=O)c3cccs3)coc2ccc1[O-] ZINC000019782309 212066178 /nfs/dbraw/zinc/06/61/78/212066178.db2.gz QKNLCZWCNFDPBB-UHFFFAOYSA-N 0 0 329.421 4.273 50 10 EICARN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1Cc1ccccc1 ZINC000015011481 211788782 /nfs/dbraw/zinc/78/87/82/211788782.db2.gz RALKUQLRJIOYAJ-XNTDXEJSSA-N 0 0 329.421 4.227 50 10 EICARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1cccs1 ZINC000012412799 211373233 /nfs/dbraw/zinc/37/32/33/211373233.db2.gz NEAYIVUMWOTMPG-ZROIWOOFSA-N 0 0 347.237 4.317 50 10 EICARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccco1 ZINC000010215205 211153499 /nfs/dbraw/zinc/15/34/99/211153499.db2.gz SFZXNFZLZIAUPV-UZLBHIALSA-N 0 0 332.359 4.228 50 10 EICARN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000009858376 211128687 /nfs/dbraw/zinc/12/86/87/211128687.db2.gz CBYPANFKXDBFHQ-UHFFFAOYSA-N 0 0 330.391 4.223 50 10 EICARN O=C1[C@H](Nc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 ZINC000009425734 211083349 /nfs/dbraw/zinc/08/33/49/211083349.db2.gz ZESGFUFWOBQDRG-CYBMUJFWSA-N 0 0 334.853 4.143 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000005283598 210433075 /nfs/dbraw/zinc/43/30/75/210433075.db2.gz WPOIVMFGQINIKM-HLIPFELVSA-N 0 0 349.390 4.380 50 10 EICARN CN1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S ZINC000005028566 210367484 /nfs/dbraw/zinc/36/74/84/210367484.db2.gz WBXQEQIRSIGDAJ-LCYFTJDESA-N 0 0 347.486 4.403 50 10 EICARN O=C1NC(=S)S/C1=C\c1ccc(SCc2ccccc2)o1 ZINC000005028568 210366755 /nfs/dbraw/zinc/36/67/55/210366755.db2.gz JUBSBNHJSGDWLF-WQLSENKSSA-N 0 0 333.459 4.061 50 10 EICARN CCN(CC)c1ccc([C@H]2NN=C(Cc3ccccc3)S2)cc1 ZINC000005017849 210364091 /nfs/dbraw/zinc/36/40/91/210364091.db2.gz PWELDLZPOZTROS-IBGZPJMESA-N 0 0 325.481 4.424 50 10 EICARN Cc1ccccc1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004747139 210269177 /nfs/dbraw/zinc/26/91/77/210269177.db2.gz VRCCZPIMEFAQKZ-UHFFFAOYSA-N 0 0 341.366 4.023 50 10 EICARN CC1(C)Cc2c3ccccc3ccc2C(=CC(=O)N2CCCCC2)N1 ZINC000004764814 210274085 /nfs/dbraw/zinc/27/40/85/210274085.db2.gz XZPPEACMGZGGHN-ZHZULCJRSA-N 0 0 334.463 4.118 50 10 EICARN COC(=O)c1cc(CSc2ncc(-c3ccccc3)n2C)oc1C ZINC000007129291 258052874 /nfs/dbraw/zinc/05/28/74/258052874.db2.gz LJXWRZFEVNJJOX-UHFFFAOYSA-N 0 0 342.420 4.067 50 10 EICARN CCn1c2ccccc2nc1NCc1cc(Br)ccc1O ZINC000000285493 563272661 /nfs/dbraw/zinc/27/26/61/563272661.db2.gz GUVFPFMXZFAHAM-UHFFFAOYSA-N 0 0 346.228 4.136 50 10 EICARN CCOc1ccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc1 ZINC000000350562 563289457 /nfs/dbraw/zinc/28/94/57/563289457.db2.gz DTRBELYRNNYBFF-SFQUDFHCSA-N 0 0 338.432 4.476 50 10 EICARN CCOC(=O)C1=CS/C(=C/C(=S)c2ccc(OC)cc2)S1 ZINC000000382850 563300623 /nfs/dbraw/zinc/30/06/23/563300623.db2.gz HUGHRCWQVBHRIB-ZSOIEALJSA-N 0 0 338.475 4.139 50 10 EICARN CC(=O)c1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1 ZINC000000612990 563355751 /nfs/dbraw/zinc/35/57/51/563355751.db2.gz GIHNJNRXYPVHAJ-UHFFFAOYSA-N 0 0 330.438 4.103 50 10 EICARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCc1ccccc1 ZINC000001144512 563376308 /nfs/dbraw/zinc/37/63/08/563376308.db2.gz JXZYXXSXSVXGGA-VBKFSLOCSA-N 0 0 343.448 4.270 50 10 EICARN Cc1ccc(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000001198492 563378929 /nfs/dbraw/zinc/37/89/29/563378929.db2.gz DEMFDSUOHMJNBD-ATVHPVEESA-N 0 0 338.432 4.302 50 10 EICARN COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1 ZINC000001212713 563379560 /nfs/dbraw/zinc/37/95/60/563379560.db2.gz ZUWVINZORBPCJN-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O ZINC000001309956 563383171 /nfs/dbraw/zinc/38/31/71/563383171.db2.gz BRFCCQSBNVHDQW-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN COCCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S ZINC000002682713 563445899 /nfs/dbraw/zinc/44/58/99/563445899.db2.gz HPWOJYDXGCRBCZ-QINSGFPZSA-N 0 0 349.521 4.222 50 10 EICARN CCCCCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000005502033 563535813 /nfs/dbraw/zinc/53/58/13/563535813.db2.gz LLXJKYOSBDPJCO-NTCAYCPXSA-N 0 0 335.494 4.477 50 10 EICARN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)Oc1ccccc1 ZINC000013207212 563692099 /nfs/dbraw/zinc/69/20/99/563692099.db2.gz VTGDNEKYKYEMGK-UHFFFAOYSA-N 0 0 347.399 4.160 50 10 EICARN CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000013839876 563726081 /nfs/dbraw/zinc/72/60/81/563726081.db2.gz OXDLZMIEOHHHHD-VBKFSLOCSA-N 0 0 341.457 4.491 50 10 EICARN CCCCOc1ccc(/C=C2\SC(=S)N(CCC)C2=O)cc1 ZINC000016115413 563803982 /nfs/dbraw/zinc/80/39/82/563803982.db2.gz RLDLFFLYGGPQTI-QINSGFPZSA-N 0 0 335.494 4.477 50 10 EICARN COc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000016227933 563806292 /nfs/dbraw/zinc/80/62/92/563806292.db2.gz XUAYCRBBZLWCOG-PTNGSMBKSA-N 0 0 333.478 4.229 50 10 EICARN Cc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000016676029 563820274 /nfs/dbraw/zinc/82/02/74/563820274.db2.gz WPGHSKRZNSDFLZ-WJDWOHSUSA-N 0 0 325.458 4.396 50 10 EICARN Cn1c(-c2ccccc2)cnc1SCc1noc(C(C)(C)C)n1 ZINC000028014115 563901176 /nfs/dbraw/zinc/90/11/76/563901176.db2.gz XEWZKFRCRKTDPG-UHFFFAOYSA-N 0 0 328.441 4.060 50 10 EICARN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 ZINC000059267195 563947845 /nfs/dbraw/zinc/94/78/45/563947845.db2.gz UWMDMCQMWLCEGN-OHUAYANFSA-N 0 0 327.771 4.470 50 10 EICARN Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc2n1C ZINC000033286592 563972943 /nfs/dbraw/zinc/97/29/43/563972943.db2.gz FJIQVOFAHQGIER-QGOAFFKASA-N 0 0 329.403 4.293 50 10 EICARN O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000088837 563976423 /nfs/dbraw/zinc/97/64/23/563976423.db2.gz IXSVSNKMOZZWGJ-GHXNOFRVSA-N 0 0 345.713 4.369 50 10 EICARN CN(C)c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000110536 563986651 /nfs/dbraw/zinc/98/66/51/563986651.db2.gz LATLXXBEVWPGJK-RVDMUPIBSA-N 0 0 325.795 4.387 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(F)c(Cl)c1 ZINC000102570082 564020356 /nfs/dbraw/zinc/02/03/56/564020356.db2.gz JFAMDWHLVBGZNA-GXDHUFHOSA-N 0 0 329.762 4.198 50 10 EICARN Oc1ccc(Br)cc1CNc1cnc2ccccc2c1 ZINC000000520443 564020969 /nfs/dbraw/zinc/02/09/69/564020969.db2.gz NUURZVATAGGICJ-UHFFFAOYSA-N 0 0 329.197 4.315 50 10 EICARN Cc1ccccc1NC1=NC(=O)C(=Cc2cc(Cl)ccc2O)S1 ZINC000059459375 564050602 /nfs/dbraw/zinc/05/06/02/564050602.db2.gz LRVFXXSYRILKNM-DHDCSXOGSA-N 0 0 344.823 4.436 50 10 EICARN COc1ccc2ccccc2c1[C@H]1NN=C(c2ccccc2O)S1 ZINC000003132090 564051552 /nfs/dbraw/zinc/05/15/52/564051552.db2.gz AFGSUGYUMCRAAS-IBGZPJMESA-N 0 0 336.416 4.251 50 10 EICARN CCSc1ncc(-c2ccc(Br)cc2)n1CCOC ZINC000044085279 564059501 /nfs/dbraw/zinc/05/95/01/564059501.db2.gz CCVANJSBGWDRSI-UHFFFAOYSA-N 0 0 341.274 4.071 50 10 EICARN COc1ccccc1-n1cnc2cc(NCc3ccccc3O)ccc21 ZINC000001283183 564062940 /nfs/dbraw/zinc/06/29/40/564062940.db2.gz NCPGCIWQFAKYKF-UHFFFAOYSA-N 0 0 345.402 4.352 50 10 EICARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1ccc(O)cc1 ZINC000001300985 564063055 /nfs/dbraw/zinc/06/30/55/564063055.db2.gz PNUVMVAIQHHZET-ZROIWOOFSA-N 0 0 347.848 4.451 50 10 EICARN Cc1ccc([C@H]2C[C@@H](c3cc(Cl)ccc3O)Nc3ncnn32)cc1 ZINC000000389017 564082660 /nfs/dbraw/zinc/08/26/60/564082660.db2.gz RLXRSACLVHZKNS-JKSUJKDBSA-N 0 0 340.814 4.092 50 10 EICARN CC(C)N1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S ZINC000006306995 564083759 /nfs/dbraw/zinc/08/37/59/564083759.db2.gz QNINHHVZXMFMDB-YRNVUSSQSA-N 0 0 331.384 4.315 50 10 EICARN CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H]1CCCc2ccccc21 ZINC000006764509 564097340 /nfs/dbraw/zinc/09/73/40/564097340.db2.gz HOYPJKJAXWWSKK-LJQANCHMSA-N 0 0 349.430 4.228 50 10 EICARN CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H]1CCCc2ccccc21 ZINC000006764510 564097357 /nfs/dbraw/zinc/09/73/57/564097357.db2.gz HOYPJKJAXWWSKK-IBGZPJMESA-N 0 0 349.430 4.228 50 10 EICARN Cc1[nH]c2ccc(C(=O)NCc3ccc(N(C)C)cc3C)cc2c1C ZINC000170627302 564110477 /nfs/dbraw/zinc/11/04/77/564110477.db2.gz NZKCCBJIAOYDBM-UHFFFAOYSA-N 0 0 335.451 4.089 50 10 EICARN Cc1cc(C)n2nc(N)c(N=Nc3cccc(C(F)(F)F)c3)c2n1 ZINC000252628780 564123510 /nfs/dbraw/zinc/12/35/10/564123510.db2.gz SXOHTZSFLQBBEA-UHFFFAOYSA-N 0 0 334.305 4.363 50 10 EICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(F)cc1F ZINC000071806296 564175568 /nfs/dbraw/zinc/17/55/68/564175568.db2.gz PEPAZORFTKBWOL-UHFFFAOYSA-N 0 0 344.405 4.227 50 10 EICARN O=C1N=C(Nc2ccccc2)SC1=CC1=Cc2ccccc2OC1 ZINC000084553331 1041228740 /nfs/dbraw/zinc/22/87/40/1041228740.db2.gz WKPBCHVACLUJAM-GZTJUZNOSA-N 0 0 334.400 4.088 50 10 EICARN COc1ccccc1N1C(=O)/C(=C/c2ccc(C)o2)SC1=S ZINC000004690534 210249028 /nfs/dbraw/zinc/24/90/28/210249028.db2.gz XFQNDQFHYMNXAI-ZROIWOOFSA-N 0 0 331.418 4.002 50 10 EICARN O=C1N=C(Nc2ccccc2)SC1=CC1=Cc2ccccc2OC1 ZINC000098054173 219074167 /nfs/dbraw/zinc/07/41/67/219074167.db2.gz WKPBCHVACLUJAM-BOPFTXTBSA-N 0 0 334.400 4.088 50 10 EICARN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1cccs1 ZINC000100025887 219088977 /nfs/dbraw/zinc/08/89/77/219088977.db2.gz NEAYIVUMWOTMPG-NTEUORMPSA-N 0 0 347.237 4.317 50 10 EICARN CCn1c(/C=C/c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O ZINC000004170840 210138282 /nfs/dbraw/zinc/13/82/82/210138282.db2.gz IOWRYAAXGNIWOH-OUKQBFOZSA-N 0 0 329.403 4.377 50 10 EICARN Cc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000003906518 210089582 /nfs/dbraw/zinc/08/95/82/210089582.db2.gz ZARKDHHMWOCDPM-UHFFFAOYSA-N 0 0 341.366 4.023 50 10 EICARN Cc1cc(C(=O)OCC(=O)C(C)(C)C)c(C)n1-c1ccc(F)cc1 ZINC000003302448 210002145 /nfs/dbraw/zinc/00/21/45/210002145.db2.gz JIKMMJZPYGNUKX-UHFFFAOYSA-N 0 0 331.387 4.005 50 10 EICARN COCCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S ZINC000002375629 209844815 /nfs/dbraw/zinc/84/48/15/209844815.db2.gz AAYLNGXZOKUPNF-PTNGSMBKSA-N 0 0 335.494 4.048 50 10 EICARN Cc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)o1 ZINC000001411780 209742963 /nfs/dbraw/zinc/74/29/63/209742963.db2.gz FPPPOZPYJDRHCT-DHDCSXOGSA-N 0 0 334.297 4.413 50 10 EICARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Nc1ccccc1 ZINC000000970072 209697119 /nfs/dbraw/zinc/69/71/19/209697119.db2.gz MVULTNIKNLQQNI-UVTDQMKNSA-N 0 0 330.409 4.054 50 10 EICARN COc1cc(NCc2cc(Cl)ccc2O)c(OC)cc1Cl ZINC000020555866 212146646 /nfs/dbraw/zinc/14/66/46/212146646.db2.gz UEEOTGCBSOHMMA-UHFFFAOYSA-N 0 0 328.195 4.328 50 10 EICARN CC(C)c1ccc(/C=C2/SC(=S)N(CN3CCCC3)C2=O)cc1 ZINC000019830892 212073336 /nfs/dbraw/zinc/07/33/36/212073336.db2.gz HDRVTBATPAAWSM-LFIBNONCSA-N 0 0 346.521 4.065 50 10 EICARN Cc1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)n1 ZINC000019799769 212070285 /nfs/dbraw/zinc/07/02/85/212070285.db2.gz STROMGIFIYNBGS-IBGZPJMESA-N 0 0 342.402 4.240 50 10 EICARN Cc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)n1 ZINC000019794066 212069400 /nfs/dbraw/zinc/06/94/00/212069400.db2.gz KRJJOESORRXLIL-HXUWFJFHSA-N 0 0 342.402 4.240 50 10 EICARN CCCOc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 ZINC000012436938 211381428 /nfs/dbraw/zinc/38/14/28/211381428.db2.gz HBCNJRMMCMPHMP-VKAVYKQESA-N 0 0 344.480 4.322 50 10 EICARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1cccc(F)c1 ZINC000012410897 211372397 /nfs/dbraw/zinc/37/23/97/211372397.db2.gz GTSUSDIPOSBYOE-ATVHPVEESA-N 0 0 341.361 4.464 50 10 EICARN CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccco1 ZINC000011692701 211235777 /nfs/dbraw/zinc/23/57/77/211235777.db2.gz MLMTWWKOUMWZTQ-INIZCTEOSA-N 0 0 326.396 4.099 50 10 EICARN Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 ZINC000010215390 211152437 /nfs/dbraw/zinc/15/24/37/211152437.db2.gz AHDDVDGOWZWOFF-FPOVZHCZSA-N 0 0 343.386 4.030 50 10 EICARN CCN(CC)c1ccc(CN(C)C(=O)c2ccc3ccccc3n2)cc1 ZINC000009932433 211134992 /nfs/dbraw/zinc/13/49/92/211134992.db2.gz ODSXFXONWXESCO-UHFFFAOYSA-N 0 0 347.462 4.353 50 10 EICARN Cc1cc(CNC(=O)NCCC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000009228731 211055087 /nfs/dbraw/zinc/05/50/87/211055087.db2.gz KNUZVJFOAHLDPB-UHFFFAOYSA-N 0 0 331.435 4.079 50 10 EICARN CC[C@H](C)NC(=O)NCc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000009228831 211055355 /nfs/dbraw/zinc/05/53/55/211055355.db2.gz FGSBYRFUQCKUMV-LBPRGKRZSA-N 0 0 333.863 4.345 50 10 EICARN O=c1[nH]c(C(Cl)=Cc2cc(O)c(O)c(Cl)c2)nc2ccccc12 ZINC000008777737 211005165 /nfs/dbraw/zinc/00/51/65/211005165.db2.gz AIQBTYHXRMRCGB-WDZFZDKYSA-N 0 0 349.173 4.137 50 10 EICARN CCOc1cccc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)c1O ZINC000006720918 210690619 /nfs/dbraw/zinc/69/06/19/210690619.db2.gz PEUBDMYFRDYVGN-FQEVSTJZSA-N 0 0 335.407 4.244 50 10 EICARN O=C1N=C(NC2CCCC2)SC1=Cc1cccc(C(F)(F)F)c1 ZINC000006224801 210603977 /nfs/dbraw/zinc/60/39/77/210603977.db2.gz YWKOEXPGWXBSLT-UKTHLTGXSA-N 0 0 340.370 4.208 50 10 EICARN COc1ccc(OC)c(C2=C/C(=C\c3cccc(Cl)c3)C(=O)O2)c1 ZINC000005958745 210567235 /nfs/dbraw/zinc/56/72/35/210567235.db2.gz XNCBCGACSXPHEU-MDWZMJQESA-N 0 0 342.778 4.339 50 10 EICARN COc1ccc(O)c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000004864149 210304721 /nfs/dbraw/zinc/30/47/21/210304721.db2.gz BCUPNFOKCHETJI-NRFANRHFSA-N 0 0 343.386 4.390 50 10 EICARN CCc1ccc(C2=C/C(=C/c3ccc(C(=O)OC)cc3)C(=O)O2)cc1 ZINC000004832528 210290710 /nfs/dbraw/zinc/29/07/10/210290710.db2.gz PQSBHKLTZOHJCJ-PDGQHHTCSA-N 0 0 334.371 4.017 50 10 EICARN Cn1c(-c2ccccc2)cnc1SCc1nc(-c2ccccc2)no1 ZINC000007130783 258052685 /nfs/dbraw/zinc/05/26/85/258052685.db2.gz RAIPUSHZYQXMEA-UHFFFAOYSA-N 0 0 348.431 4.429 50 10 EICARN Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)o1 ZINC000007783392 258053334 /nfs/dbraw/zinc/05/33/34/258053334.db2.gz GOSBACDCYAIKGY-UHFFFAOYSA-N 0 0 337.375 4.035 50 10 EICARN O=C1/C(=C/N2CCCc3ccccc32)SC(=S)N1C1CCCC1 ZINC000008992213 135685394 /nfs/dbraw/zinc/68/53/94/135685394.db2.gz NXJKDFLSFGYVRU-VBKFSLOCSA-N 0 0 344.505 4.084 50 10 EICARN CN(C)c1ccc2sc(SCC(=O)c3ccccc3)nc2c1 ZINC000000085788 563220016 /nfs/dbraw/zinc/22/00/16/563220016.db2.gz QEIKVHQFQRSVMF-UHFFFAOYSA-N 0 0 328.462 4.337 50 10 EICARN CC(=O)N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2ccc(O)cc21 ZINC000000308459 563279148 /nfs/dbraw/zinc/27/91/48/563279148.db2.gz NJFAWVRYGNIMCP-LJQANCHMSA-N 0 0 341.794 4.130 50 10 EICARN CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1ccccc1 ZINC000000541890 563344231 /nfs/dbraw/zinc/34/42/31/563344231.db2.gz GPUOZDCQOFBPIR-HXUWFJFHSA-N 0 0 330.387 4.243 50 10 EICARN O=C1/C(=C/c2ccccn2)SC(=S)N1Cc1ccc(Cl)cc1 ZINC000001175504 563377708 /nfs/dbraw/zinc/37/77/08/563377708.db2.gz RKDBGOMAYUYNDX-ZROIWOOFSA-N 0 0 346.864 4.136 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 ZINC000001188318 563378191 /nfs/dbraw/zinc/37/81/91/563378191.db2.gz IGBIMQSTTDDDLO-LFIBNONCSA-N 0 0 341.457 4.409 50 10 EICARN CC(C)CN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000001446640 563389665 /nfs/dbraw/zinc/38/96/65/563389665.db2.gz UVGUWKMUKNEOOT-SDQBBNPISA-N 0 0 329.849 4.336 50 10 EICARN COc1ccc(CN2C(=O)/C(=C/[C@H]3CC=CCC3)SC2=S)cc1 ZINC000001480102 563391014 /nfs/dbraw/zinc/39/10/14/563391014.db2.gz LDYXUOBVSLNBNF-RERGGYADSA-N 0 0 345.489 4.296 50 10 EICARN CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=S ZINC000002066042 563420906 /nfs/dbraw/zinc/42/09/06/563420906.db2.gz JNZCDFCSQIEFEE-WYMLVPIESA-N 0 0 336.507 4.058 50 10 EICARN CN(C)c1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000032597709 563663050 /nfs/dbraw/zinc/66/30/50/563663050.db2.gz BKOAIOSPVSTOJN-QGZVFWFLSA-N 0 0 332.856 4.185 50 10 EICARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000013476484 563699084 /nfs/dbraw/zinc/69/90/84/563699084.db2.gz OZOSVBVITYOLAW-GXDHUFHOSA-N 0 0 342.401 4.001 50 10 EICARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000013751786 563720849 /nfs/dbraw/zinc/72/08/49/563720849.db2.gz BTMPGQRWILPWFE-LCYFTJDESA-N 0 0 341.263 4.450 50 10 EICARN O=C1[C@@H](Nc2ccc(Cl)cc2)SC(=S)N1c1ccccc1 ZINC000013942908 563731998 /nfs/dbraw/zinc/73/19/98/563731998.db2.gz ZESGFUFWOBQDRG-ZDUSSCGKSA-N 0 0 334.853 4.143 50 10 EICARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1C ZINC000015799942 563792637 /nfs/dbraw/zinc/79/26/37/563792637.db2.gz WRMMEGLRKPOPMM-YBEGLDIGSA-N 0 0 326.421 4.069 50 10 EICARN CN(C)c1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000015832918 563793672 /nfs/dbraw/zinc/79/36/72/563793672.db2.gz CBJQTQFISMPMBU-UHFFFAOYSA-N 0 0 329.252 4.051 50 10 EICARN CN(C)c1ccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000028495251 563903080 /nfs/dbraw/zinc/90/30/80/563903080.db2.gz GXPYUKMKWZTRGI-UHFFFAOYSA-N 0 0 342.870 4.096 50 10 EICARN Cc1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)o1 ZINC000016676000 563917999 /nfs/dbraw/zinc/91/79/99/563917999.db2.gz BSIMXXBMQWEZJS-WQLSENKSSA-N 0 0 331.165 4.332 50 10 EICARN CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1O ZINC000156846495 563961417 /nfs/dbraw/zinc/96/14/17/563961417.db2.gz NYWVMZISQIREEO-JXFKEZNVSA-N 0 0 339.483 4.054 50 10 EICARN Oc1ccccc1CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750741 563965138 /nfs/dbraw/zinc/96/51/38/563965138.db2.gz HYPAWVIUIHXCOK-QGZVFWFLSA-N 0 0 338.234 4.273 50 10 EICARN CCCC(=O)N[C@H](c1ccc(C)cc1)c1ccc2cccnc2c1O ZINC000000102666 563984117 /nfs/dbraw/zinc/98/41/17/563984117.db2.gz YLHAGZFGLRYNET-LJQANCHMSA-N 0 0 334.419 4.255 50 10 EICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000207113 563988430 /nfs/dbraw/zinc/98/84/30/563988430.db2.gz OVEFOIACWROHSX-WOJGMQOQSA-N 0 0 335.363 4.018 50 10 EICARN CC(=O)Oc1ccccc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O ZINC000000119290 563989452 /nfs/dbraw/zinc/98/94/52/563989452.db2.gz MQXZOALZUDUUHM-XNTDXEJSSA-N 0 0 340.762 4.247 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 ZINC000005170473 563999858 /nfs/dbraw/zinc/99/98/58/563999858.db2.gz WPGQMJYDLWIYTN-XNTDXEJSSA-N 0 0 345.420 4.240 50 10 EICARN O=C([O-])[C@@H](Cc1ccccc1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000005531393 564005148 /nfs/dbraw/zinc/00/51/48/564005148.db2.gz LZDIPJARGCCMBS-HXUWFJFHSA-N 0 0 342.398 4.496 50 10 EICARN COc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1OC ZINC000013574019 564020171 /nfs/dbraw/zinc/02/01/71/564020171.db2.gz FJUCRMFQDFNNDZ-LICLKQGHSA-N 0 0 336.387 4.302 50 10 EICARN [O-]c1c(Br)cccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000048794528 564032287 /nfs/dbraw/zinc/03/22/87/564032287.db2.gz SPJYZVPVACYDCR-UHFFFAOYSA-N 0 0 336.273 4.213 50 10 EICARN Cc1cccc(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c1 ZINC000001198092 564056399 /nfs/dbraw/zinc/05/63/99/564056399.db2.gz QWXCHTAIAQZUAR-ATVHPVEESA-N 0 0 338.432 4.302 50 10 EICARN COc1cc(N(C)C)c(OC)cc1/C=C/c1ccnc2ccccc12 ZINC000006374982 564085322 /nfs/dbraw/zinc/08/53/22/564085322.db2.gz WNRMQAWGIWTTME-MDZDMXLPSA-N 0 0 334.419 4.488 50 10 EICARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccccc1F ZINC000006534287 564091681 /nfs/dbraw/zinc/09/16/81/564091681.db2.gz VREPUFFRWYHMBZ-UHFFFAOYSA-N 0 0 347.440 4.060 50 10 EICARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 ZINC000006603567 564092993 /nfs/dbraw/zinc/09/29/93/564092993.db2.gz IJAPEORMUPRGSM-HWPZZCPQSA-N 0 0 328.437 4.398 50 10 EICARN COc1ccccc1C(=O)CSc1ncc(-c2ccccc2)n1C ZINC000007129107 564105219 /nfs/dbraw/zinc/10/52/19/564105219.db2.gz IYUWKIGTIRRHJY-UHFFFAOYSA-N 0 0 338.432 4.071 50 10 EICARN CN(C)c1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000008170816 564133910 /nfs/dbraw/zinc/13/39/10/564133910.db2.gz OSCSJYZRSKHUJX-UHFFFAOYSA-N 0 0 344.458 4.201 50 10 EICARN Cc1cccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c1C ZINC000002434820 564135138 /nfs/dbraw/zinc/13/51/38/564135138.db2.gz IEQHNQOSZKASIB-GDNBJRDFSA-N 0 0 328.462 4.048 50 10 EICARN Oc1cccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1O ZINC000052683218 214139012 /nfs/dbraw/zinc/13/90/12/214139012.db2.gz WXWNTQODDNIGHZ-FQEVSTJZSA-N 0 0 329.359 4.087 50 10 EICARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000004680070 210245960 /nfs/dbraw/zinc/24/59/60/210245960.db2.gz JBAJXIBYDIWZOC-IEMQHYRPSA-N 0 0 341.457 4.355 50 10 EICARN O=C1NC(=S)S/C1=C\c1ccc(F)c(Oc2ccccc2)c1 ZINC000004679497 210244775 /nfs/dbraw/zinc/24/47/75/210244775.db2.gz OWNIOTCFLQSDQO-ZROIWOOFSA-N 0 0 331.393 4.107 50 10 EICARN Cc1ccc(O)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1 ZINC000004571292 210223280 /nfs/dbraw/zinc/22/32/80/210223280.db2.gz WNLFYHSLWBHJPD-QLJPJBMISA-N 0 0 328.437 4.316 50 10 EICARN O=C1C(=CNc2ccc(F)cc2)SC(=S)N1c1ccc(F)cc1 ZINC000004543793 210219308 /nfs/dbraw/zinc/21/93/08/210219308.db2.gz NJHRJKITQAHMIW-NTEUORMPSA-N 0 0 348.399 4.283 50 10 EICARN CCn1cc(/C=C/c2nc3ccccc3c(=O)n2C)c2ccccc21 ZINC000004536174 210215167 /nfs/dbraw/zinc/21/51/67/210215167.db2.gz FFAUHGDNEFRWGZ-OUKQBFOZSA-N 0 0 329.403 4.079 50 10 EICARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1cccs1 ZINC000100208272 219094403 /nfs/dbraw/zinc/09/44/03/219094403.db2.gz VDJWEIFIJVHTSB-FOWTUZBSSA-N 0 0 339.416 4.015 50 10 EICARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccn1 ZINC000100423254 219099212 /nfs/dbraw/zinc/09/92/12/219099212.db2.gz TZJMGLFGSNNBNV-AQTBWJFISA-N 0 0 338.386 4.110 50 10 EICARN Cc1ccc([C@H](CC(=O)C(C)C)C2C(=O)c3ccccc3C2=O)cc1 ZINC000100807026 219107045 /nfs/dbraw/zinc/10/70/45/219107045.db2.gz IULKRYUDDGCDFZ-SFHVURJKSA-N 0 0 334.415 4.389 50 10 EICARN Cc1nn2c3ccccc3n(C)c2c1/N=N/c1nc2ccccc2n1C ZINC000004042948 210107932 /nfs/dbraw/zinc/10/79/32/210107932.db2.gz CZZCNTRYXBIQRH-QURGRASLSA-N 0 0 343.394 4.437 50 10 EICARN CCCCC(=O)N[C@@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000003894212 210085238 /nfs/dbraw/zinc/08/52/38/210085238.db2.gz CVIIJBCJKCLLCV-IBGZPJMESA-N 0 0 334.419 4.336 50 10 biogenic EICARN CCOc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1 ZINC000003880702 210083417 /nfs/dbraw/zinc/08/34/17/210083417.db2.gz PIHBYVSRBZYTAD-UHFFFAOYSA-N 0 0 332.454 4.300 50 10 EICARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccccc1F ZINC000001244349 209720078 /nfs/dbraw/zinc/72/00/78/209720078.db2.gz TXFAKIHVYMOUTI-ZROIWOOFSA-N 0 0 333.384 4.371 50 10 EICARN Cc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000001103243 209711365 /nfs/dbraw/zinc/71/13/65/209711365.db2.gz WXQMHOIZSZBDRJ-GHRIWEEISA-N 0 0 339.485 4.439 50 10 EICARN CCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1 ZINC000000617614 209682810 /nfs/dbraw/zinc/68/28/10/209682810.db2.gz YKJWAZAPTHMAIX-UHFFFAOYSA-N 0 0 334.261 4.302 50 10 aggregator EICARN COC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3 ZINC000000550385 209660773 /nfs/dbraw/zinc/66/07/73/209660773.db2.gz VJARBRQKIXRNIY-UHFFFAOYSA-N 0 0 344.461 4.272 50 10 EICARN Cc1nc2sc(C(=O)OCc3ccccc3)c(N)c2c(C)c1C ZINC000000093936 209416396 /nfs/dbraw/zinc/41/63/96/209416396.db2.gz ZMPKSWORERUJFT-UHFFFAOYSA-N 0 0 326.421 4.161 50 10 EICARN C[C@H](Nc1cc(-c2ccccc2F)nc2ccnn21)c1ccccc1O ZINC000072430604 216223856 /nfs/dbraw/zinc/22/38/56/216223856.db2.gz ZIVOKEPBRYWITI-ZDUSSCGKSA-N 0 0 348.381 4.414 50 10 EICARN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CCc1ccccc1 ZINC000012438144 211381490 /nfs/dbraw/zinc/38/14/90/211381490.db2.gz BWPDXDKPVUHCEO-FOWTUZBSSA-N 0 0 343.448 4.270 50 10 EICARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2ccncc2)c1 ZINC000010052272 211144461 /nfs/dbraw/zinc/14/44/61/211144461.db2.gz LOMFBZUZMYKLQT-UHFFFAOYSA-N 0 0 339.826 4.073 50 10 EICARN Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 ZINC000010215388 211153340 /nfs/dbraw/zinc/15/33/40/211153340.db2.gz PULUYYLFTLPVFL-FPOVZHCZSA-N 0 0 343.386 4.030 50 10 EICARN CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007885996 210859970 /nfs/dbraw/zinc/85/99/70/210859970.db2.gz FFTCYKNXVAVUAA-FQEVSTJZSA-N 0 0 335.451 4.262 50 10 EICARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(F)cc2F)S1 ZINC000096663436 218886187 /nfs/dbraw/zinc/88/61/87/218886187.db2.gz PWBLPVHSTWCQDP-NVNXTCNLSA-N 0 0 330.359 4.356 50 10 EICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNNc1ccc(C)cc1C ZINC000005009765 210361330 /nfs/dbraw/zinc/36/13/30/210361330.db2.gz QLMPKRBRGYKLGZ-UNOMPAQXSA-N 0 0 348.450 4.143 50 10 EICARN CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1 ZINC000000073775 258047528 /nfs/dbraw/zinc/04/75/28/258047528.db2.gz ZNMJBSHFACRGMV-UHFFFAOYSA-N 0 0 341.432 4.470 50 10 EICARN COc1ccccc1NC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000333037 563284966 /nfs/dbraw/zinc/28/49/66/563284966.db2.gz OPDGQHAPKWKCRT-INIZCTEOSA-N 0 0 346.430 4.276 50 10 EICARN COc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000000348228 563288410 /nfs/dbraw/zinc/28/84/10/563288410.db2.gz RILWBIIOYRUOTB-UHFFFAOYSA-N 0 0 342.394 4.255 50 10 EICARN CCC(=O)N[C@H](c1ccc(OC)cc1)c1c(O)ccc2ccccc21 ZINC000000446256 563317289 /nfs/dbraw/zinc/31/72/89/563317289.db2.gz ULEVRJUAJNPONO-OAQYLSRUSA-N 0 0 335.403 4.170 50 10 EICARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000000613370 563355987 /nfs/dbraw/zinc/35/59/87/563355987.db2.gz BACQLXMPLJGETO-IBGZPJMESA-N 0 0 341.842 4.104 50 10 EICARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000001210629 563379601 /nfs/dbraw/zinc/37/96/01/563379601.db2.gz UPOGZXABQLMYAM-VGOFMYFVSA-N 0 0 348.880 4.236 50 10 EICARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1 ZINC000001292830 563382371 /nfs/dbraw/zinc/38/23/71/563382371.db2.gz NHEVVFUDOKANCZ-GXDHUFHOSA-N 0 0 348.449 4.129 50 10 EICARN COc1ccc(CN2C(=O)/C(=C/[C@@H]3CC=CCC3)SC2=S)cc1 ZINC000001480100 563391041 /nfs/dbraw/zinc/39/10/41/563391041.db2.gz LDYXUOBVSLNBNF-YYTPVVGHSA-N 0 0 345.489 4.296 50 10 EICARN C[N@H+](Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3 ZINC000002598879 563443899 /nfs/dbraw/zinc/44/38/99/563443899.db2.gz QUDOKQDBCOZAKD-UHFFFAOYSA-N 0 0 349.430 4.009 50 10 EICARN CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Cl)c2)SC1=S ZINC000004551154 563505051 /nfs/dbraw/zinc/50/50/51/563505051.db2.gz DYVLFFROFFSUQL-UXBLZVDNSA-N 0 0 348.276 4.223 50 10 EICARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000013563219 563701743 /nfs/dbraw/zinc/70/17/43/563701743.db2.gz JFFFLFKSZKWIKS-RGEXLXHISA-N 0 0 347.414 4.262 50 10 EICARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000013809859 563724046 /nfs/dbraw/zinc/72/40/46/563724046.db2.gz DNENVHRSAZGVTE-YBEGLDIGSA-N 0 0 326.421 4.069 50 10 EICARN CCOc1ccc(C=C2SC(Nc3cccc(C)c3)=NC2=O)cc1 ZINC000015767395 563791827 /nfs/dbraw/zinc/79/18/27/563791827.db2.gz DTRBELYRNNYBFF-ATVHPVEESA-N 0 0 338.432 4.476 50 10 EICARN CN(C)c1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1 ZINC000028288131 563902020 /nfs/dbraw/zinc/90/20/20/563902020.db2.gz YIPDEYKXFPJQIG-UHFFFAOYSA-N 0 0 349.409 4.134 50 10 EICARN CCC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O ZINC000000446232 563917505 /nfs/dbraw/zinc/91/75/05/563917505.db2.gz AWCFIQDSTVKBNT-SFHVURJKSA-N 0 0 340.810 4.209 50 10 biogenic EICARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccccn2)c(C)n1-c1ccccc1 ZINC000077456991 563969786 /nfs/dbraw/zinc/96/97/86/563969786.db2.gz LMMAQSJALQIUQN-OAQYLSRUSA-N 0 0 345.446 4.466 50 10 EICARN COc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3cccc(OC)c3O1)N2C ZINC000000267126 563989962 /nfs/dbraw/zinc/98/99/62/563989962.db2.gz QXIRZPKBUUZWQL-NRFANRHFSA-N 0 0 337.419 4.233 50 10 biogenic EICARN O=C1c2ccccc2OC(c2ccccc2)Oc2ccccc2C1=O ZINC000005682243 564018550 /nfs/dbraw/zinc/01/85/50/564018550.db2.gz ZUMKIAWLNLWNLR-UHFFFAOYSA-N 0 0 330.339 4.222 50 10 EICARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccncc2)SC1=S ZINC000005694874 564019136 /nfs/dbraw/zinc/01/91/36/564019136.db2.gz DIGSBNOZLNNDAQ-WDGDVPDHSA-N 0 0 334.510 4.499 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000013712019 564020608 /nfs/dbraw/zinc/02/06/08/564020608.db2.gz XKTVZFGICBABNX-WJDWOHSUSA-N 0 0 341.457 4.097 50 10 EICARN O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000005945284 564057211 /nfs/dbraw/zinc/05/72/11/564057211.db2.gz UOHXVSOHSPLAHS-XYOKQWHBSA-N 0 0 348.430 4.062 50 10 EICARN O=C(NCc1ccccc1O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000084559944 564068700 /nfs/dbraw/zinc/06/87/00/564068700.db2.gz JMRNNFQLRWYXBB-UHFFFAOYSA-N 0 0 344.370 4.130 50 10 EICARN COc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001512909 564075103 /nfs/dbraw/zinc/07/51/03/564075103.db2.gz ZNQRZCLIRHKLHH-UHFFFAOYSA-N 0 0 343.382 4.082 50 10 EICARN COc1cccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)c1OC ZINC000075286687 564081571 /nfs/dbraw/zinc/08/15/71/564081571.db2.gz PRALBDGHEHNWRA-LFIBNONCSA-N 0 0 339.416 4.073 50 10 EICARN COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@H]21 ZINC000248251295 564089255 /nfs/dbraw/zinc/08/92/55/564089255.db2.gz PSPLPPYNGLDIRF-MJXUCMMTSA-N 0 0 326.396 4.414 50 10 EICARN Cc1cc(C(=O)C(=O)Nc2ccccc2C)c(C)n1-c1ccccc1 ZINC000006780848 564097580 /nfs/dbraw/zinc/09/75/80/564097580.db2.gz SNYSDJMWKBUMBJ-UHFFFAOYSA-N 0 0 332.403 4.224 50 10 EICARN COC(=O)c1ccccc1Nc1c(-c2ccc(C)o2)nc2ccccn21 ZINC000035616056 564129168 /nfs/dbraw/zinc/12/91/68/564129168.db2.gz ITCBIMWDGMOAEQ-UHFFFAOYSA-N 0 0 347.374 4.433 50 10 EICARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1Nc1ccccc1 ZINC000002450211 564135478 /nfs/dbraw/zinc/13/54/78/564135478.db2.gz PUMROWDKWGLDGI-NDUUIVGLSA-N 0 0 328.418 4.064 50 10 EICARN Cc1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3)C2=O)cc1 ZINC000003213381 564156057 /nfs/dbraw/zinc/15/60/57/564156057.db2.gz ANVDJVHITRMCAJ-RVDMUPIBSA-N 0 0 339.441 4.037 50 10 EICARN Nc1nn(-c2ccccc2)c(N)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000252637399 568422023 /nfs/dbraw/zinc/42/20/23/568422023.db2.gz XSPZFEOWHQYMHX-UHFFFAOYSA-N 0 0 346.316 4.471 50 10 EICARN COc1ccc(Nc2c(-c3ccccn3)nc3ccc(C)cn32)cc1 ZINC000004735089 210264729 /nfs/dbraw/zinc/26/47/29/210264729.db2.gz JMDZLOCDQSMYBP-UHFFFAOYSA-N 0 0 330.391 4.457 50 10 EICARN CCC[C@H]1N=C(c2ccc(OCC)cc2)C[C@H](c2ccccc2O)N1 ZINC000004729434 210262829 /nfs/dbraw/zinc/26/28/29/210262829.db2.gz NLERMTIZVJICSY-CTNGQTDRSA-N 0 0 338.451 4.441 50 10 EICARN COc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000004623245 210233753 /nfs/dbraw/zinc/23/37/53/210233753.db2.gz WRLMEUSNEWAHEF-UHFFFAOYSA-N 0 0 347.374 4.115 50 10 EICARN O=C(/C=C\c1ccsc1)NCc1ccc(N2CCCCC2)cc1 ZINC000098055478 219075364 /nfs/dbraw/zinc/07/53/64/219075364.db2.gz DIOGGNDMXPAXAS-TWGQIWQCSA-N 0 0 326.465 4.068 50 10 EICARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1C ZINC000004359707 210181028 /nfs/dbraw/zinc/18/10/28/210181028.db2.gz ZLUBHPIIFNSNHJ-WJDWOHSUSA-N 0 0 325.799 4.367 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000004309892 210166611 /nfs/dbraw/zinc/16/66/11/210166611.db2.gz VNKSNXSXZRIHGM-QEEYODRMSA-N 0 0 349.390 4.380 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(O)ccc2ccccc21 ZINC000103693454 219319906 /nfs/dbraw/zinc/31/99/06/219319906.db2.gz QCNQZKOJEAOELK-QGOAFFKASA-N 0 0 328.371 4.352 50 10 EICARN CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc32)SC1=S ZINC000000975330 209696650 /nfs/dbraw/zinc/69/66/50/209696650.db2.gz PCUZLFKYXGHEED-GDNBJRDFSA-N 0 0 329.446 4.070 50 10 EICARN COc1cccc(/C=C2/C(=O)N(c3cccc(Cl)c3C)N=C2C)c1 ZINC000000368190 209554536 /nfs/dbraw/zinc/55/45/36/209554536.db2.gz WVDIJSRHPHIAIP-LFIBNONCSA-N 0 0 340.810 4.463 50 10 EICARN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C1 ZINC000019793077 212067543 /nfs/dbraw/zinc/06/75/43/212067543.db2.gz HFRMWZYFFSQPDE-OAHLLOKOSA-N 0 0 349.430 4.398 50 10 biogenic EICARN C[C@H]1Cc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)ccc2O1 ZINC000016810384 211936178 /nfs/dbraw/zinc/93/61/78/211936178.db2.gz HSZVXVYOUBJQAX-OKHBPPCESA-N 0 0 345.489 4.154 50 10 EICARN Cc1cc(CNC(=O)NCC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000009963703 211137843 /nfs/dbraw/zinc/13/78/43/211137843.db2.gz MRFWCYCPYLIFTD-UHFFFAOYSA-N 0 0 333.863 4.203 50 10 EICARN CC[C@@H]1c2ccsc2CCN1C(=O)/C=C\c1ccc(N(C)C)cc1 ZINC000096931523 218901439 /nfs/dbraw/zinc/90/14/39/218901439.db2.gz DZTIQLJXMSJFME-IEODJVTJSA-N 0 0 340.492 4.363 50 10 EICARN O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000005023645 210365021 /nfs/dbraw/zinc/36/50/21/210365021.db2.gz UOHXVSOHSPLAHS-WQLSENKSSA-N 0 0 348.430 4.062 50 10 EICARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(O)cc1 ZINC000005017761 210364116 /nfs/dbraw/zinc/36/41/16/210364116.db2.gz MCFSANHAUDJWRS-LCYFTJDESA-N 0 0 343.176 4.136 50 10 EICARN Nc1ccc2c(c1Oc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O ZINC000004819192 210286449 /nfs/dbraw/zinc/28/64/49/210286449.db2.gz CYZBUGZRKIXBDH-UHFFFAOYSA-N 0 0 349.773 4.490 50 10 EICARN Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1-c1ccccc1F ZINC000089580037 258066071 /nfs/dbraw/zinc/06/60/71/258066071.db2.gz GWMCJUMOYBVDQO-UHFFFAOYSA-N 0 0 326.415 4.152 50 10 EICARN Cc1ccsc1CN(C)C(=O)/C=C/c1ccc2c(c1)CCCN2C ZINC000061132925 132804797 /nfs/dbraw/zinc/80/47/97/132804797.db2.gz SPPGKWMTFVSZNO-VQHVLOKHSA-N 0 0 340.492 4.111 50 10 EICARN CCCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000002672601 563599989 /nfs/dbraw/zinc/59/99/89/563599989.db2.gz MEHHEVQVSCOIPK-QINSGFPZSA-N 0 0 334.510 4.144 50 10 EICARN CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc1 ZINC000001115259 563375235 /nfs/dbraw/zinc/37/52/35/563375235.db2.gz DMZKEVFLBRPYSW-LFIBNONCSA-N 0 0 348.537 4.390 50 10 EICARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1cccc(O)c1 ZINC000001209327 563379119 /nfs/dbraw/zinc/37/91/19/563379119.db2.gz ZYCUVTKINOHANK-ZSOIEALJSA-N 0 0 347.848 4.451 50 10 EICARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1Nc1ccccc1 ZINC000001221301 563379780 /nfs/dbraw/zinc/37/97/80/563379780.db2.gz XTFXNNMMLCFCPV-UVTDQMKNSA-N 0 0 330.409 4.054 50 10 EICARN CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000015015604 563772273 /nfs/dbraw/zinc/77/22/73/563772273.db2.gz AHTLRZBDJXAIGJ-NDENLUEZSA-N 0 0 328.371 4.352 50 10 EICARN Oc1ccc2ccccc2c1CNc1ccc(Br)cn1 ZINC000018323701 563852353 /nfs/dbraw/zinc/85/23/53/563852353.db2.gz BVFCCUUBMKTVQX-UHFFFAOYSA-N 0 0 329.197 4.315 50 10 EICARN COc1ccccc1/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000013477260 563891549 /nfs/dbraw/zinc/89/15/49/563891549.db2.gz JKCCXFPMJDCJFT-YBEGLDIGSA-N 0 0 326.783 4.155 50 10 EICARN CC(C)CC(=O)N[C@H](c1cccs1)c1ccc2cccnc2c1O ZINC000000092403 563916903 /nfs/dbraw/zinc/91/69/03/563916903.db2.gz MDLWLVWPYPTEPB-SFHVURJKSA-N 0 0 340.448 4.254 50 10 EICARN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 ZINC000059267194 563947853 /nfs/dbraw/zinc/94/78/53/563947853.db2.gz UWMDMCQMWLCEGN-GLKRBJQHSA-N 0 0 327.771 4.470 50 10 EICARN COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(C)cn3)c2C)c1 ZINC000059849656 563949469 /nfs/dbraw/zinc/94/94/69/563949469.db2.gz LYBKWSBVDRIVPW-UHFFFAOYSA-N 0 0 335.407 4.058 50 10 EICARN CCC(=O)C[C@@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O ZINC000000494680 564017869 /nfs/dbraw/zinc/01/78/69/564017869.db2.gz FYFOQYSCXOKLBW-KRWDZBQOSA-N 0 0 340.806 4.196 50 10 EICARN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccccc2)o1 ZINC000000530624 564021510 /nfs/dbraw/zinc/02/15/10/564021510.db2.gz DRUDZYMMQDEITE-LGMDPLHJSA-N 0 0 338.432 4.403 50 10 EICARN COCCCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000048354185 564031348 /nfs/dbraw/zinc/03/13/48/564031348.db2.gz FCDNZRUVEHFQRM-QFIPXVFZSA-N 0 0 349.430 4.178 50 10 EICARN Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(C)c1O ZINC000032789421 564050090 /nfs/dbraw/zinc/05/00/90/564050090.db2.gz GQPACVUCEQDKNY-GDNBJRDFSA-N 0 0 341.457 4.415 50 10 EICARN CCN1c2ccc(C=C3SC(=S)NC3=O)cc2C(C)=CC1(C)C ZINC000001228858 564060263 /nfs/dbraw/zinc/06/02/63/564060263.db2.gz KFXFWGZNCSXIIP-OQLLNIDSSA-N 0 0 344.505 4.197 50 10 EICARN COc1ccc(/C=C2\SC(c3ccc(Cl)cc3)=NC2=O)cc1 ZINC000064859559 564066647 /nfs/dbraw/zinc/06/66/47/564066647.db2.gz BYPSEBXZQCBFIP-GDNBJRDFSA-N 0 0 329.808 4.410 50 10 in-vitro EICARN COc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000001423478 564066648 /nfs/dbraw/zinc/06/66/48/564066648.db2.gz XQXGUEKRXODKMW-UHFFFAOYSA-N 0 0 347.374 4.115 50 10 EICARN Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c(O)c1 ZINC000006426360 564086144 /nfs/dbraw/zinc/08/61/44/564086144.db2.gz PTUFJQVHTKXFLN-MGPLVRAMSA-N 0 0 328.437 4.316 50 10 EICARN Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2)c(C)n1-c1ccccn1 ZINC000089580058 564093017 /nfs/dbraw/zinc/09/30/17/564093017.db2.gz YHKXQDUXBVIRHT-FQEVSTJZSA-N 0 0 345.446 4.466 50 10 EICARN CC1(C)Oc2ccccc2[C@H]2CC(c3cc(Cl)ccc3O)=NN21 ZINC000006721850 564096419 /nfs/dbraw/zinc/09/64/19/564096419.db2.gz AMKAQXHHPNEWTJ-OAHLLOKOSA-N 0 0 328.799 4.325 50 10 EICARN CCCn1c2ccccc2nc1NC(=O)Nc1cccc(C(C)=O)c1 ZINC000027923610 564137513 /nfs/dbraw/zinc/13/75/13/564137513.db2.gz SKYHDSWBPWSIBH-UHFFFAOYSA-N 0 0 336.395 4.293 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100580399 1020971911 /nfs/dbraw/zinc/97/19/11/1020971911.db2.gz CNWQXMBSRHTZON-NTEUORMPSA-N 0 0 341.754 4.054 50 10 EICARN Cc1ccc(O)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1 ZINC000004571296 210224751 /nfs/dbraw/zinc/22/47/51/210224751.db2.gz WNLFYHSLWBHJPD-QFYYESIMSA-N 0 0 328.437 4.316 50 10 EICARN CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccco1 ZINC000100317891 219096719 /nfs/dbraw/zinc/09/67/19/219096719.db2.gz LJIJGOAXZKQKSX-XNTDXEJSSA-N 0 0 335.388 4.209 50 10 EICARN CC(C)(C)C(=O)C[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O ZINC000100368443 219097464 /nfs/dbraw/zinc/09/74/64/219097464.db2.gz HTHXVNNUTNHMIL-QGZVFWFLSA-N 0 0 334.415 4.471 50 10 EICARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(C)cc1 ZINC000004359710 210180612 /nfs/dbraw/zinc/18/06/12/210180612.db2.gz DECMYPZKPVLGCF-BOPFTXTBSA-N 0 0 325.799 4.367 50 10 EICARN CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2cnco2)cc1 ZINC000066096246 215010372 /nfs/dbraw/zinc/01/03/72/215010372.db2.gz ZVMVQWPIMNUNPQ-UHFFFAOYSA-N 0 0 336.391 4.100 50 10 EICARN Cc1cc(C(=O)OCC(=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC000003460725 210045899 /nfs/dbraw/zinc/04/58/99/210045899.db2.gz ZZRISNKKCLPQFQ-UHFFFAOYSA-N 0 0 333.387 4.134 50 10 EICARN CC(C)(C)c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O ZINC000001436900 209749746 /nfs/dbraw/zinc/74/97/46/209749746.db2.gz WBDPSYDYYOULLK-UKTHLTGXSA-N 0 0 349.521 4.476 50 10 EICARN CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)Nc1ccc(F)cc1 ZINC000000067474 209398576 /nfs/dbraw/zinc/39/85/76/209398576.db2.gz HXVHCVFTKWPOBZ-UHFFFAOYSA-N 0 0 345.487 4.499 50 10 EICARN O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc2ccccc2c1 ZINC000000048539 209389528 /nfs/dbraw/zinc/38/95/28/209389528.db2.gz KLZBAALATNLLOK-UHFFFAOYSA-N 0 0 349.411 4.499 50 10 EICARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c([O-])c1C[NH+]1CCCC1 ZINC000000045106 209387654 /nfs/dbraw/zinc/38/76/54/209387654.db2.gz XOHXOILMMLLTCH-UHFFFAOYSA-N 0 0 335.403 4.070 50 10 EICARN Cc1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)n1 ZINC000021729068 212246327 /nfs/dbraw/zinc/24/63/27/212246327.db2.gz LFZRZBCBGYZINQ-LJQANCHMSA-N 0 0 342.402 4.240 50 10 EICARN CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1CCCC[C@H]1CC ZINC000020323933 212119817 /nfs/dbraw/zinc/11/98/17/212119817.db2.gz IGAOLRKTALBPMO-CYBMUJFWSA-N 0 0 349.858 4.479 50 10 EICARN C[C@H]1CCc2sc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2C1 ZINC000018150384 211984291 /nfs/dbraw/zinc/98/42/91/211984291.db2.gz NWJORPGLIWESSA-AWEZNQCLSA-N 0 0 342.508 4.211 50 10 EICARN COc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000015658735 211837784 /nfs/dbraw/zinc/83/77/84/211837784.db2.gz BQXDCFHONLNQGF-WJDWOHSUSA-N 0 0 326.783 4.155 50 10 EICARN CCc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)s1 ZINC000013892997 211656209 /nfs/dbraw/zinc/65/62/09/211656209.db2.gz VKDQTBSMHBFBON-ZSOIEALJSA-N 0 0 346.502 4.107 50 10 EICARN Cc1cccc(COc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000013943558 211658922 /nfs/dbraw/zinc/65/89/22/211658922.db2.gz BBXBMBDPYRFUML-YBEGLDIGSA-N 0 0 341.457 4.063 50 10 EICARN Cc1cccc(N2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)c1 ZINC000013755969 211631371 /nfs/dbraw/zinc/63/13/71/211631371.db2.gz QWXCHTAIAQZUAR-SFQUDFHCSA-N 0 0 338.432 4.302 50 10 EICARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccccn1 ZINC000010215190 211153221 /nfs/dbraw/zinc/15/32/21/211153221.db2.gz QBBSAYXIDJBUOZ-NQIIRXRSSA-N 0 0 343.386 4.030 50 10 EICARN COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c1O ZINC000007884332 210859157 /nfs/dbraw/zinc/85/91/57/210859157.db2.gz DZDNTTOCOAECJC-HXUWFJFHSA-N 0 0 346.386 4.172 50 10 EICARN CN(C1=NC(=O)/C(=C/C=C\c2ccccc2)S1)c1ccc(O)cc1 ZINC000005810276 210540851 /nfs/dbraw/zinc/54/08/51/210540851.db2.gz KFESTKZPAVEVHA-NPFCYVKHSA-N 0 0 336.416 4.055 50 10 EICARN CCC(=O)N[C@@H](c1ccccc1OC)c1c(O)ccc2ccccc21 ZINC000000245279 563265814 /nfs/dbraw/zinc/26/58/14/563265814.db2.gz KROQTWALYYTXRW-NRFANRHFSA-N 0 0 335.403 4.170 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(c2ccccc2C)C1=O ZINC000001160340 563376312 /nfs/dbraw/zinc/37/63/12/563376312.db2.gz OAGACENWTYHLCH-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000001193479 563378892 /nfs/dbraw/zinc/37/88/92/563378892.db2.gz GZTCJTAAKXXHKC-JYRVWZFOSA-N 0 0 335.837 4.431 50 10 EICARN Cc1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 ZINC000001797817 563412472 /nfs/dbraw/zinc/41/24/72/563412472.db2.gz RAHHNLDXZDVIQD-RVDMUPIBSA-N 0 0 345.324 4.256 50 10 EICARN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000015015231 563772248 /nfs/dbraw/zinc/77/22/48/563772248.db2.gz VMDWTPWXLPBSDS-GDNBJRDFSA-N 0 0 345.445 4.080 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000016872842 563824769 /nfs/dbraw/zinc/82/47/69/563824769.db2.gz QCNQZKOJEAOELK-AQTBWJFISA-N 0 0 328.371 4.352 50 10 EICARN Cc1ccccc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000000348380 563917433 /nfs/dbraw/zinc/91/74/33/563917433.db2.gz PDDYCUFSBCSNRZ-UHFFFAOYSA-N 0 0 327.383 4.382 50 10 EICARN CCOc1cccc(CNc2cc(OC)c(Cl)cc2OC)c1O ZINC000044836436 563926744 /nfs/dbraw/zinc/92/67/44/563926744.db2.gz ZMTXAZXRADAPGD-UHFFFAOYSA-N 0 0 337.803 4.074 50 10 EICARN Oc1ccccc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1O ZINC000000038230 563968593 /nfs/dbraw/zinc/96/85/93/563968593.db2.gz WDUVBQZZERJUFX-HXUWFJFHSA-N 0 0 343.386 4.243 50 10 EICARN Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000000038282 563968614 /nfs/dbraw/zinc/96/86/14/563968614.db2.gz VXQIPRWKLACSKZ-UHFFFAOYSA-N 0 0 330.859 4.416 50 10 EICARN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000077823 563974529 /nfs/dbraw/zinc/97/45/29/563974529.db2.gz GCKSENNZWDTDLF-UHFFFAOYSA-N 0 0 339.844 4.278 50 10 EICARN CC(C)(C)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000000079656 563974567 /nfs/dbraw/zinc/97/45/67/563974567.db2.gz YUHLWPHSONRAES-DTQAZKPQSA-N 0 0 328.481 4.440 50 10 EICARN CN(C1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1)c1ccc(O)cc1 ZINC000000107182 563986480 /nfs/dbraw/zinc/98/64/80/563986480.db2.gz JRBUSKXNESLGQP-GDNBJRDFSA-N 0 0 344.823 4.152 50 10 EICARN CCOc1ccc(C2=C/C(=C/c3ccc(C)c(OC)c3)C(=O)O2)cc1 ZINC000000199949 563988271 /nfs/dbraw/zinc/98/82/71/563988271.db2.gz BDQPDJFNGZSUQT-BOPFTXTBSA-N 0 0 336.387 4.384 50 10 EICARN COc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3cccc(OC)c3O1)N2C ZINC000000267127 563989978 /nfs/dbraw/zinc/98/99/78/563989978.db2.gz QXIRZPKBUUZWQL-OAQYLSRUSA-N 0 0 337.419 4.233 50 10 biogenic EICARN CC1=NN(c2ccccc2)C(=S)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000100475404 563992588 /nfs/dbraw/zinc/99/25/88/563992588.db2.gz ZKRIPYLMILHLKN-LFIBNONCSA-N 0 0 338.392 4.114 50 10 EICARN CCOC(=O)C1=NN(c2ccccc2)/C(=C/c2ccc(C)cc2)S1 ZINC000002058698 564003698 /nfs/dbraw/zinc/00/36/98/564003698.db2.gz QFLRSACIXZITHN-LGMDPLHJSA-N 0 0 338.432 4.423 50 10 EICARN COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 ZINC000012565689 564018601 /nfs/dbraw/zinc/01/86/01/564018601.db2.gz XCYZVLHBLVEXCY-BOPFTXTBSA-N 0 0 326.783 4.155 50 10 EICARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCCC[C@H]1C ZINC000000524268 564021194 /nfs/dbraw/zinc/02/11/94/564021194.db2.gz SHIYFCPHHSSVMK-PQOIGDABSA-N 0 0 332.379 4.357 50 10 EICARN CCOC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCC3 ZINC000000528602 564021368 /nfs/dbraw/zinc/02/13/68/564021368.db2.gz CAASYUGXXVSMSP-UHFFFAOYSA-N 0 0 338.432 4.211 50 10 EICARN O=C1N=C(N2CCCCC2)S/C1=C/c1csc2ccccc12 ZINC000107488675 564026944 /nfs/dbraw/zinc/02/69/44/564026944.db2.gz ZSWOBYAGORUDOT-XNTDXEJSSA-N 0 0 328.462 4.358 50 10 EICARN Cc1cc2n(n1)[C@H](c1ccc(N3CCCC3)cc1)Nc1ccccc1-2 ZINC000000817705 564035000 /nfs/dbraw/zinc/03/50/00/564035000.db2.gz QMHCRZDRXJSFIR-OAQYLSRUSA-N 0 0 330.435 4.431 50 10 EICARN COc1ccccc1N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001252072 564062723 /nfs/dbraw/zinc/06/27/23/564062723.db2.gz MUNRKZLCVMGFMU-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN Cc1ccc(SC2=CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001401703 564065041 /nfs/dbraw/zinc/06/50/41/564065041.db2.gz JOCNFCTWRWAWKM-UHFFFAOYSA-N 0 0 329.808 4.198 50 10 EICARN CN(C)c1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1 ZINC000015832739 564076022 /nfs/dbraw/zinc/07/60/22/564076022.db2.gz IBVFYXJVQMGIRM-UHFFFAOYSA-N 0 0 336.460 4.411 50 10 EICARN CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3O)=NN21 ZINC000006721579 564096346 /nfs/dbraw/zinc/09/63/46/564096346.db2.gz FRPBVKHZXZXUAP-QFBILLFUSA-N 0 0 340.448 4.015 50 10 EICARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccncc1 ZINC000006721619 564096378 /nfs/dbraw/zinc/09/63/78/564096378.db2.gz PFAGYMBTGNNLCN-RXVVDRJESA-N 0 0 343.386 4.030 50 10 EICARN Cc1cc(C2=NNC(=NC(C)(C)C)SC2)c(C)n1-c1ccccc1 ZINC000006822622 564098909 /nfs/dbraw/zinc/09/89/09/564098909.db2.gz ZIWAXULWAHOYRX-UHFFFAOYSA-N 0 0 340.496 4.289 50 10 EICARN O=C1c2ccccc2N[C@@H](c2ccc(N3CCCCC3)cc2)N1C1CC1 ZINC000007886187 564124428 /nfs/dbraw/zinc/12/44/28/564124428.db2.gz FMXYZOFJRCEVLE-OAQYLSRUSA-N 0 0 347.462 4.406 50 10 EICARN O=C1N[C@@H](c2ccc(O)cc2O)Nc2scc(-c3ccccc3)c21 ZINC000008381702 564164814 /nfs/dbraw/zinc/16/48/14/564164814.db2.gz ZFUWJGQGSBTGCM-MRXNPFEDSA-N 0 0 338.388 4.255 50 10 EICARN Cn1cc(/C=C\C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000245284167 564168943 /nfs/dbraw/zinc/16/89/43/564168943.db2.gz QGARDIXZNSHTSI-IPVRWWKFSA-N 0 0 331.379 4.487 50 10 EICARN CC(C)Sc1cccc(Cl)c1C=C1SC(=S)NC1=O ZINC000170605434 1037222073 /nfs/dbraw/zinc/22/20/73/1037222073.db2.gz QVPSKSNOWYSOAC-WDZFZDKYSA-N 0 0 329.899 4.329 50 10 EICARN CC(C)(C)c1n[nH]cc1C=C1SC(=S)N(c2ccccc2)C1=O ZINC000084241049 1041082387 /nfs/dbraw/zinc/08/23/87/1041082387.db2.gz MDOFJNKTJTWIAE-UKTHLTGXSA-N 0 0 343.477 4.113 50 10 EICARN O=C(/C=C/c1ccsc1)NCc1ccc(N2CCCCC2)cc1 ZINC000062225132 1042870726 /nfs/dbraw/zinc/87/07/26/1042870726.db2.gz DIOGGNDMXPAXAS-RMKNXTFCSA-N 0 0 326.465 4.068 50 10 EICARN COc1cccc(C2=N[C@@](C)(C(C)C)N[C@H](c3ccccc3O)C2)c1 ZINC000004729829 210262093 /nfs/dbraw/zinc/26/20/93/210262093.db2.gz IWBQKXZUVIHQAZ-PZJWPPBQSA-N 0 0 338.451 4.297 50 10 EICARN Cc1cc(C)n2nc(N)c(/N=N/c3cccc(C(F)(F)F)c3)c2n1 ZINC000004666083 210241209 /nfs/dbraw/zinc/24/12/09/210241209.db2.gz SXOHTZSFLQBBEA-QURGRASLSA-N 0 0 334.305 4.363 50 10 EICARN CCOC(=O)c1sc2nc(C(C)(C)C)cc(C(F)(F)F)c2c1N ZINC000004620358 210233894 /nfs/dbraw/zinc/23/38/94/210233894.db2.gz HXEAYLCDLCLXFQ-UHFFFAOYSA-N 0 0 346.374 4.372 50 10 EICARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2cccs2)cc1 ZINC000004541635 210216912 /nfs/dbraw/zinc/21/69/12/210216912.db2.gz XNQUFUGISWKVFV-UHFFFAOYSA-N 0 0 339.416 4.195 50 10 EICARN O=C1NC(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)S1 ZINC000100469269 219099614 /nfs/dbraw/zinc/09/96/14/219099614.db2.gz FWGNIJGEUMAROS-QEDPKASPSA-N 0 0 325.349 4.132 50 10 EICARN Cc1ccc(C)n1-c1ccsc1-c1cc2[nH]c(C)c(C)c(=O)n2n1 ZINC000100921634 219111868 /nfs/dbraw/zinc/11/18/68/219111868.db2.gz OYJSJNKIRMAAFZ-UHFFFAOYSA-N 0 0 338.436 4.188 50 10 EICARN O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O ZINC000004248202 210151360 /nfs/dbraw/zinc/15/13/60/210151360.db2.gz UDDPBRRTKIUOBO-AWEZNQCLSA-N 0 0 338.388 4.038 50 10 EICARN Cc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000003642533 210069799 /nfs/dbraw/zinc/06/97/99/210069799.db2.gz BXKWITAKLZCLFR-UHFFFAOYSA-N 0 0 331.375 4.415 50 10 aggregator EICARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1cccc(F)c1 ZINC000003413552 210033120 /nfs/dbraw/zinc/03/31/20/210033120.db2.gz GOJUEGAMPNQKBZ-UHFFFAOYSA-N 0 0 347.440 4.060 50 10 EICARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccco1 ZINC000102907260 219240571 /nfs/dbraw/zinc/24/05/71/219240571.db2.gz SFZXNFZLZIAUPV-OXJNMPFZSA-N 0 0 332.359 4.228 50 10 EICARN Cc1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1C ZINC000040139652 213271522 /nfs/dbraw/zinc/27/15/22/213271522.db2.gz ONESSLDTAAJXAC-DHDCSXOGSA-N 0 0 326.446 4.104 50 10 EICARN Cc1cc2n(n1)[C@@H](c1ccc(N3CCCC3)cc1)Nc1ccccc1-2 ZINC000000817704 209691530 /nfs/dbraw/zinc/69/15/30/209691530.db2.gz QMHCRZDRXJSFIR-NRFANRHFSA-N 0 0 330.435 4.431 50 10 EICARN CCC(=O)C[C@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O ZINC000000494681 209635342 /nfs/dbraw/zinc/63/53/42/209635342.db2.gz FYFOQYSCXOKLBW-QGZVFWFLSA-N 0 0 340.806 4.196 50 10 EICARN Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000000196751 209477691 /nfs/dbraw/zinc/47/76/91/209477691.db2.gz ZCEAMAGOOGHIPP-UHFFFAOYSA-N 0 0 348.899 4.064 50 10 EICARN CN(C)c1ccc(CN(C)C(=O)c2cc3c(cccc3F)s2)cc1 ZINC000027380047 212555112 /nfs/dbraw/zinc/55/51/12/212555112.db2.gz SCNSDIDGKLVKDH-UHFFFAOYSA-N 0 0 342.439 4.379 50 10 EICARN Cc1oc2c(ccc([O-])c2C[NH+]2CCCCC2)c(=O)c1-c1ccccc1 ZINC000020412032 212126220 /nfs/dbraw/zinc/12/62/20/212126220.db2.gz CNZJZAABODREQK-UHFFFAOYSA-N 0 0 349.430 4.460 50 10 biogenic EICARN CCOc1cccc(CNc2ccc(Br)c(C)c2)c1O ZINC000019908112 212083014 /nfs/dbraw/zinc/08/30/14/212083014.db2.gz BZEJBXOWVVKJOO-UHFFFAOYSA-N 0 0 336.229 4.474 50 10 EICARN Cc1ccnc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1 ZINC000019842965 212075407 /nfs/dbraw/zinc/07/54/07/212075407.db2.gz HXTSBGQMUPMIAB-IBGZPJMESA-N 0 0 342.402 4.240 50 10 EICARN O=c1c2ccc([O-])c(C[NH+]3CCCCC3)c2occ1-c1ccccc1 ZINC000019771101 212063085 /nfs/dbraw/zinc/06/30/85/212063085.db2.gz WRKNCGBLJWHTCH-UHFFFAOYSA-N 0 0 335.403 4.152 50 10 biogenic,in-vitro EICARN Cc1cc(COC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)no1 ZINC000010196032 211153480 /nfs/dbraw/zinc/15/34/80/211153480.db2.gz DTOQAMMRERRTSN-UHFFFAOYSA-N 0 0 344.798 4.401 50 10 EICARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(F)cc2F)S1 ZINC000007165844 210764582 /nfs/dbraw/zinc/76/45/82/210764582.db2.gz PWBLPVHSTWCQDP-OVCLIPMQSA-N 0 0 330.359 4.356 50 10 EICARN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000004919486 210324582 /nfs/dbraw/zinc/32/45/82/210324582.db2.gz JCBBOXRTFPEZBJ-NTEUORMPSA-N 0 0 348.880 4.296 50 10 aggregator EICARN O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1C1CCCC1 ZINC000004745821 210269587 /nfs/dbraw/zinc/26/95/87/210269587.db2.gz GSJYZKWRZDNLAW-DHDCSXOGSA-N 0 0 328.462 4.312 50 10 EICARN CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=S ZINC000001142669 563375918 /nfs/dbraw/zinc/37/59/18/563375918.db2.gz NIJRFDJPFSETBH-QINSGFPZSA-N 0 0 334.510 4.144 50 10 EICARN O=C1c2ccccc2C(=O)C1(Nc1ccc(F)cc1)c1ccccc1 ZINC000000075990 563216913 /nfs/dbraw/zinc/21/69/13/563216913.db2.gz SKXXQQUHASHKLL-UHFFFAOYSA-N 0 0 331.346 4.212 50 10 EICARN Cc1ccc(NC2=NC(=O)C(=Cc3ccccc3O)S2)cc1Cl ZINC000000446773 563317774 /nfs/dbraw/zinc/31/77/74/563317774.db2.gz LSLYYWQDTPGBAA-NVNXTCNLSA-N 0 0 344.823 4.436 50 10 EICARN COc1ccc(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)c(O)c1 ZINC000000457225 563324825 /nfs/dbraw/zinc/32/48/25/563324825.db2.gz IYOMIFKUOWMIJS-AWEZNQCLSA-N 0 0 337.206 4.146 50 10 EICARN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Cc1cccnc1 ZINC000001144346 563375980 /nfs/dbraw/zinc/37/59/80/563375980.db2.gz YRFPEWMBHMKUTK-ZSOIEALJSA-N 0 0 346.864 4.136 50 10 EICARN CCc1ccccc1-n1c(C)cc(C=C2SC(=S)NC2=O)c1C ZINC000001177101 563377652 /nfs/dbraw/zinc/37/76/52/563377652.db2.gz UKBMWAHBLJFZBJ-MHWRWJLKSA-N 0 0 342.489 4.145 50 10 EICARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(O)cc1 ZINC000001216034 563379591 /nfs/dbraw/zinc/37/95/91/563379591.db2.gz XBPVHHCVXSUXFZ-ZROIWOOFSA-N 0 0 347.848 4.451 50 10 EICARN O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000013284494 563693894 /nfs/dbraw/zinc/69/38/94/563693894.db2.gz FMYFKMXVIFKPQQ-LCYFTJDESA-N 0 0 332.837 4.141 50 10 EICARN CCN1c2ccc(C=C3SC(=S)NC3=O)cc2C(C)=CC1(C)C ZINC000013478009 563699643 /nfs/dbraw/zinc/69/96/43/563699643.db2.gz KFXFWGZNCSXIIP-DHDCSXOGSA-N 0 0 344.505 4.197 50 10 EICARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1ccc(F)cc1 ZINC000013552890 563701496 /nfs/dbraw/zinc/70/14/96/563701496.db2.gz DRHNXICKUVGFIG-ZROIWOOFSA-N 0 0 333.384 4.371 50 10 EICARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000013573600 563702469 /nfs/dbraw/zinc/70/24/69/563702469.db2.gz QNYNFZNDSZHXFF-MDWZMJQESA-N 0 0 335.837 4.334 50 10 EICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013601402 563703677 /nfs/dbraw/zinc/70/36/77/563703677.db2.gz LHUUGTIADJVUDI-ZSOIEALJSA-N 0 0 332.812 4.071 50 10 EICARN O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1c1ccccc1 ZINC000013943544 563732036 /nfs/dbraw/zinc/73/20/36/563732036.db2.gz PFQJCHWKBKNLBH-NTEUORMPSA-N 0 0 347.848 4.451 50 10 EICARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1cccnc1 ZINC000015010800 563771891 /nfs/dbraw/zinc/77/18/91/563771891.db2.gz BMVCAUCSLNVWFW-MMPACVFLSA-N 0 0 338.457 4.039 50 10 EICARN CCOC(=O)c1ccc(/N=N/c2ccc(C(=O)OCC)cc2)cc1 ZINC000018098946 563848711 /nfs/dbraw/zinc/84/87/11/563848711.db2.gz YFFNOBALALSBCH-FMQUCBEESA-N 0 0 326.352 4.455 50 10 EICARN O=C(NC1CCCCC1)c1ccc2c3c1noc3-c1ccccc1C2=O ZINC000000033385 563967751 /nfs/dbraw/zinc/96/77/51/563967751.db2.gz UNWWJMNPGYRYLZ-UHFFFAOYSA-N 0 0 346.386 4.102 50 10 EICARN Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2Cl)cc1 ZINC000000036974 563968387 /nfs/dbraw/zinc/96/83/87/563968387.db2.gz KMWCRBMMRDSSJP-UHFFFAOYSA-N 0 0 346.235 4.117 50 10 EICARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1Nc1ccccc1 ZINC000033286014 563972958 /nfs/dbraw/zinc/97/29/58/563972958.db2.gz MVULTNIKNLQQNI-GXDHUFHOSA-N 0 0 330.409 4.054 50 10 EICARN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(O)cc1 ZINC000033400301 563983931 /nfs/dbraw/zinc/98/39/31/563983931.db2.gz MCFSANHAUDJWRS-UKTHLTGXSA-N 0 0 343.176 4.136 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000100148687 563984013 /nfs/dbraw/zinc/98/40/13/563984013.db2.gz JOOQNNLVTJBLDE-LFIBNONCSA-N 0 0 345.324 4.424 50 10 EICARN C[N@H+](Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C1CCCCC1 ZINC000000142645 563987145 /nfs/dbraw/zinc/98/71/45/563987145.db2.gz YQIBCBWHGJLCTN-UHFFFAOYSA-N 0 0 337.419 4.416 50 10 EICARN CN(C)c1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1 ZINC000000469061 563997452 /nfs/dbraw/zinc/99/74/52/563997452.db2.gz UJSVYLXQBUTUDF-UHFFFAOYSA-N 0 0 327.409 4.031 50 10 EICARN COc1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 ZINC000005327836 564002673 /nfs/dbraw/zinc/00/26/73/564002673.db2.gz XQUSJTWJDVSOEM-BOPFTXTBSA-N 0 0 341.798 4.067 50 10 EICARN CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCc2ccccc2C1 ZINC000000500250 564018967 /nfs/dbraw/zinc/01/89/67/564018967.db2.gz PBRJESPLEPGNCN-GHVJWSGMSA-N 0 0 348.406 4.402 50 10 EICARN Cc1ccc(-c2ccc(/C=C3/SC(N4CCCC4)=NC3=O)o2)cc1 ZINC000000541434 564022495 /nfs/dbraw/zinc/02/24/95/564022495.db2.gz UGOGEROTZKZLSI-SFQUDFHCSA-N 0 0 338.432 4.321 50 10 EICARN C[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000104005636 564023656 /nfs/dbraw/zinc/02/36/56/564023656.db2.gz XRESISWWGXCJAW-YMTYPPQLSA-N 0 0 331.415 4.407 50 10 EICARN O=C1OC(c2cccs2)=C/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016266202 564024526 /nfs/dbraw/zinc/02/45/26/564024526.db2.gz NLKFUPLUALHJMH-UXBLZVDNSA-N 0 0 333.752 4.291 50 10 EICARN COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000006469149 564025031 /nfs/dbraw/zinc/02/50/31/564025031.db2.gz FSPZVTJCMUFTQW-FVMDXXJSSA-N 0 0 344.436 4.016 50 10 EICARN CC(C)N1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000005881324 564056785 /nfs/dbraw/zinc/05/67/85/564056785.db2.gz QNRDWJKEQQIQND-GPILYODUSA-N 0 0 331.462 4.004 50 10 EICARN O=C(c1nc[nH]c1N=Nc1c(O)ccc2ccccc21)N1CCCCC1 ZINC000006025796 564057696 /nfs/dbraw/zinc/05/76/96/564057696.db2.gz PAIVGWHSLLFYPW-GHVJWSGMSA-N 0 0 349.394 4.310 50 10 EICARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1Cc1ccccc1 ZINC000001232244 564061675 /nfs/dbraw/zinc/06/16/75/564061675.db2.gz MUUILCQFINAZTE-GDNBJRDFSA-N 0 0 329.421 4.227 50 10 EICARN Cc1cc(C)nc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)n1 ZINC000001463140 564073137 /nfs/dbraw/zinc/07/31/37/564073137.db2.gz ZRYQMCACGDOGEV-GOSISDBHSA-N 0 0 346.390 4.142 50 10 EICARN COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2)cc1Cl ZINC000006590476 564092468 /nfs/dbraw/zinc/09/24/68/564092468.db2.gz NMADWZFOOCIDOJ-ZDUSSCGKSA-N 0 0 337.206 4.146 50 10 EICARN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000013590625 564111825 /nfs/dbraw/zinc/11/18/25/564111825.db2.gz YKGOQTCBFWJBPT-KAMYIIQDSA-N 0 0 338.392 4.114 50 10 EICARN CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 ZINC000007885994 564124400 /nfs/dbraw/zinc/12/44/00/564124400.db2.gz FFTCYKNXVAVUAA-HXUWFJFHSA-N 0 0 335.451 4.262 50 10 EICARN Cc1ccn2c(c1)nc(-c1ccccc1O)c2NCc1ccccc1O ZINC000035616538 564129185 /nfs/dbraw/zinc/12/91/85/564129185.db2.gz OGKWFXFXFRTWAX-UHFFFAOYSA-N 0 0 345.402 4.333 50 10 EICARN Cc1cc(CNC(=O)/C=C\c2cc(C)n(-c3ccc(C)cc3)c2C)on1 ZINC000096298162 564146640 /nfs/dbraw/zinc/14/66/40/564146640.db2.gz GPROAYSZMWUBRW-YFHOEESVSA-N 0 0 349.434 4.029 50 10 EICARN O=C1N=C(NC2CCCC2)SC1=Cc1ccccc1C(F)(F)F ZINC000013524819 1023380718 /nfs/dbraw/zinc/38/07/18/1023380718.db2.gz AQPLCTTVYGWHSA-LCYFTJDESA-N 0 0 340.370 4.208 50 10 EICARN Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)c3ccccc3)c2C)no1 ZINC000015628921 1035362869 /nfs/dbraw/zinc/36/28/69/1035362869.db2.gz NCHAHQFYDWIIOU-ZHACJKMWSA-N 0 0 335.407 4.067 50 10 EICARN CCC[C@@H]1N=C(c2ccc(OCC)cc2)C[C@H](c2ccccc2O)N1 ZINC000004648109 210237204 /nfs/dbraw/zinc/23/72/04/210237204.db2.gz NLERMTIZVJICSY-TZIWHRDSSA-N 0 0 338.451 4.441 50 10 EICARN Cc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1C ZINC000098008599 219068323 /nfs/dbraw/zinc/06/83/23/219068323.db2.gz ONESSLDTAAJXAC-OQLLNIDSSA-N 0 0 326.446 4.104 50 10 EICARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)c1 ZINC000004409675 210189758 /nfs/dbraw/zinc/18/97/58/210189758.db2.gz PADQUVZDTGNTLH-DAYGRLMNSA-N 0 0 337.335 4.330 50 10 EICARN Cc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)cc1 ZINC000004292043 210162723 /nfs/dbraw/zinc/16/27/23/210162723.db2.gz DZJADUAYQUNCOD-SFHVURJKSA-N 0 0 346.386 4.285 50 10 EICARN CCOC(=O)c1ccc(-n2c(C)cc(C(=O)C(F)(F)F)c2C)cc1 ZINC000004054473 210108797 /nfs/dbraw/zinc/10/87/97/210108797.db2.gz BTFQHHGENWERER-UHFFFAOYSA-N 0 0 339.313 4.016 50 10 EICARN CCCn1cnc2cc(NCc3cc(OC)ccc3OC)ccc21 ZINC000003907440 210091012 /nfs/dbraw/zinc/09/10/12/210091012.db2.gz HGQXBBKHOFQNDC-UHFFFAOYSA-N 0 0 325.412 4.076 50 10 EICARN COc1ccc(N2CCN(c3cc(C)c4cccc(C)c4n3)CC2)cc1 ZINC000003412553 210031013 /nfs/dbraw/zinc/03/10/13/210031013.db2.gz BEKCWACWOPMDFW-UHFFFAOYSA-N 0 0 347.462 4.187 50 10 EICARN COCCNc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1 ZINC000003331353 210009028 /nfs/dbraw/zinc/00/90/28/210009028.db2.gz LSHGDBWHHYWYQI-UHFFFAOYSA-N 0 0 345.443 4.415 50 10 EICARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccccn1 ZINC000102907248 219240985 /nfs/dbraw/zinc/24/09/85/219240985.db2.gz QBBSAYXIDJBUOZ-GHTZIAJQSA-N 0 0 343.386 4.030 50 10 EICARN Oc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1O ZINC000003195328 209975964 /nfs/dbraw/zinc/97/59/64/209975964.db2.gz BPMUEHORMREGTP-UHFFFAOYSA-N 0 0 332.403 4.123 50 10 EICARN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1cccs1 ZINC000040154937 213274383 /nfs/dbraw/zinc/27/43/83/213274383.db2.gz TZUJWKNYMMZTAT-UHFFFAOYSA-N 0 0 330.478 4.489 50 10 EICARN CCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 ZINC000000496086 209635775 /nfs/dbraw/zinc/63/57/75/209635775.db2.gz NQYDDWBLYFABGE-UHFFFAOYSA-N 0 0 342.420 4.194 50 10 EICARN O=C(c1ccccc1)c1ccccc1Nc1nc(Cl)nc(Cl)n1 ZINC000000301168 209524133 /nfs/dbraw/zinc/52/41/33/209524133.db2.gz SQFCGNZDQMTPSQ-UHFFFAOYSA-N 0 0 345.189 4.153 50 10 EICARN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(Cl)cc1Cl ZINC000000063772 209396374 /nfs/dbraw/zinc/39/63/74/209396374.db2.gz IERIUMHYIJOGQO-MDWZMJQESA-N 0 0 341.263 4.450 50 10 EICARN Cc1oc2c(ccc([O-])c2C[NH+]2CCCC2)c(=O)c1-c1ccccc1 ZINC000020358169 212122403 /nfs/dbraw/zinc/12/24/03/212122403.db2.gz NDIPHDMPQHERIW-UHFFFAOYSA-N 0 0 335.403 4.070 50 10 biogenic EICARN C[C@H](Nc1ccc(Br)cn1)c1cc(Cl)ccc1O ZINC000020290369 212116844 /nfs/dbraw/zinc/11/68/44/212116844.db2.gz DMNOHUCRAOCAAX-QMMMGPOBSA-N 0 0 327.609 4.376 50 10 EICARN O=C(c1cccs1)c1coc2ccc([O-])c(C[NH+]3CCCCC3)c12 ZINC000019830690 212072988 /nfs/dbraw/zinc/07/29/88/212072988.db2.gz PEDQWDLNCXEXQQ-UHFFFAOYSA-N 0 0 341.432 4.417 50 10 EICARN Oc1ccccc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000019300103 212013479 /nfs/dbraw/zinc/01/34/79/212013479.db2.gz WZYDUILDTXZIHH-UHFFFAOYSA-N 0 0 344.458 4.409 50 10 EICARN CN(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000016186349 211887937 /nfs/dbraw/zinc/88/79/37/211887937.db2.gz JOYWVNFXPQUIAZ-VBKFSLOCSA-N 0 0 340.473 4.158 50 10 EICARN Cc1cc(CNC(=O)NC2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000009963697 211137716 /nfs/dbraw/zinc/13/77/16/211137716.db2.gz WVUVFWQILGWFHT-UHFFFAOYSA-N 0 0 343.446 4.365 50 10 EICARN CN(C)c1ccc(CN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000008780115 211005977 /nfs/dbraw/zinc/00/59/77/211005977.db2.gz WADHNDCBDYJISM-UHFFFAOYSA-N 0 0 349.478 4.215 50 10 EICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000008553265 210964981 /nfs/dbraw/zinc/96/49/81/210964981.db2.gz PFLLJBBLYXZZSB-WOJGMQOQSA-N 0 0 335.363 4.018 50 10 EICARN Cc1cc(C(=O)[C@@H](C)Sc2nccn2C)c(C)n1-c1ccccc1 ZINC000005359558 210449316 /nfs/dbraw/zinc/44/93/16/210449316.db2.gz WNESHIWAHQORQG-OAHLLOKOSA-N 0 0 339.464 4.191 50 10 EICARN Cc1ccc2c(c1NCCc1ccccc1)C(=O)c1ccccc1C2=O ZINC000005125440 210394016 /nfs/dbraw/zinc/39/40/16/210394016.db2.gz AYXLRIRVFOSTOK-UHFFFAOYSA-N 0 0 341.410 4.425 50 10 EICARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc2c(c1)OCO2 ZINC000005060914 210379675 /nfs/dbraw/zinc/37/96/75/210379675.db2.gz DQBVDVBMEPIWDC-NTUHNPAUSA-N 0 0 326.735 4.050 50 10 EICARN Cc1ccc(NC=C2SC(=S)N(C3CCCC3)C2=O)c(C)c1 ZINC000005021787 210364961 /nfs/dbraw/zinc/36/49/61/210364961.db2.gz WPKWHDNYIVYAIV-GDNBJRDFSA-N 0 0 332.494 4.360 50 10 EICARN COc1ccc(C2Nc3cccc4cccc(c43)N2)c(OC)c1OC ZINC000000028679 208550897 /nfs/dbraw/zinc/55/08/97/208550897.db2.gz RFQDZRJJOLMKQZ-UHFFFAOYSA-N 0 0 336.391 4.402 50 10 EICARN Cc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1 ZINC000004836755 210292816 /nfs/dbraw/zinc/29/28/16/210292816.db2.gz JWKGSAKZSGTHLQ-GDNBJRDFSA-N 0 0 327.430 4.106 50 10 EICARN Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000004749725 210270044 /nfs/dbraw/zinc/27/00/44/210270044.db2.gz PUMDFRSAEGUPJL-CXUHLZMHSA-N 0 0 339.464 4.158 50 10 EICARN O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1ccccc1 ZINC000334160469 258016370 /nfs/dbraw/zinc/01/63/70/258016370.db2.gz FJLZAECTGDBYOY-GDNBJRDFSA-N 0 0 344.436 4.097 50 10 EICARN Oc1ccc(Br)cc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000076275406 563967798 /nfs/dbraw/zinc/96/77/98/563967798.db2.gz RRFWQEDMPFUNSS-UHFFFAOYSA-N 0 0 326.621 4.098 50 10 EICARN CCN(CC)c1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 ZINC000000315700 563282755 /nfs/dbraw/zinc/28/27/55/563282755.db2.gz ZVSJLDMXGNJPGC-AQTBWJFISA-N 0 0 338.382 4.016 50 10 EICARN Cc1cc(C=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000000333943 563285256 /nfs/dbraw/zinc/28/52/56/563285256.db2.gz HIHAGLHIENBLBC-UHFFFAOYSA-N 0 0 337.335 4.002 50 10 EICARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccccc1[N+](=O)[O-] ZINC000000446526 563317823 /nfs/dbraw/zinc/31/78/23/563317823.db2.gz UFSSMEJXRJCIQZ-UKTHLTGXSA-N 0 0 327.723 4.230 50 10 EICARN CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000000613369 563355991 /nfs/dbraw/zinc/35/59/91/563355991.db2.gz BACQLXMPLJGETO-LJQANCHMSA-N 0 0 341.842 4.104 50 10 EICARN CCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S ZINC000001747194 563409275 /nfs/dbraw/zinc/40/92/75/563409275.db2.gz DPGCZJINSBYQSW-IEMQHYRPSA-N 0 0 345.489 4.395 50 10 EICARN CCC(=O)N[C@@H](c1ccc(OC)cc1)c1c(O)ccc2ccccc21 ZINC000002870038 563458707 /nfs/dbraw/zinc/45/87/07/563458707.db2.gz ULEVRJUAJNPONO-NRFANRHFSA-N 0 0 335.403 4.170 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000013602647 563703612 /nfs/dbraw/zinc/70/36/12/563703612.db2.gz JOIUSYQOJVFCNX-DHDCSXOGSA-N 0 0 345.420 4.240 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000013712430 563715283 /nfs/dbraw/zinc/71/52/83/563715283.db2.gz VBTFTHFZVRDFEN-PTNGSMBKSA-N 0 0 327.430 4.101 50 10 EICARN CCN(CC)c1ccc(CN(C(=O)c2ccco2)c2ccccn2)cc1 ZINC000028291386 563902210 /nfs/dbraw/zinc/90/22/10/563902210.db2.gz BJHZFIWGAPUABU-UHFFFAOYSA-N 0 0 349.434 4.368 50 10 EICARN CC(=O)c1cc(F)cc(CN(Cc2ccc(F)cc2)C2CC2)c1O ZINC000072312038 563920241 /nfs/dbraw/zinc/92/02/41/563920241.db2.gz JFJMBFPIORMKNW-UHFFFAOYSA-N 0 0 331.362 4.038 50 10 EICARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccc(F)cc1 ZINC000013787451 563933781 /nfs/dbraw/zinc/93/37/81/563933781.db2.gz FGEIQFUAKYXHLJ-NQDFZQDQSA-N 0 0 331.393 4.381 50 10 EICARN CCOc1ccc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)cc1 ZINC000059838407 563949431 /nfs/dbraw/zinc/94/94/31/563949431.db2.gz DRLCFRGEHMAVJM-UYRXBGFRSA-N 0 0 335.407 4.112 50 10 EICARN Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)c(C)n1-c1ccccc1 ZINC000077456994 563969747 /nfs/dbraw/zinc/96/97/47/563969747.db2.gz LMMAQSJALQIUQN-NRFANRHFSA-N 0 0 345.446 4.466 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1 ZINC000013123116 563996612 /nfs/dbraw/zinc/99/66/12/563996612.db2.gz QWMMCZJIYDUMIN-SFHVURJKSA-N 0 0 348.427 4.445 50 10 EICARN COc1cccc(CNc2ccc3c(c2)ncn3C(C)(C)C)c1OC ZINC000000423356 563998320 /nfs/dbraw/zinc/99/83/20/563998320.db2.gz OEKUITYKRIDGLX-UHFFFAOYSA-N 0 0 339.439 4.421 50 10 EICARN COc1ccc(CNc2ccc3c(c2)ncn3C(C)(C)C)cc1OC ZINC000000423358 563998349 /nfs/dbraw/zinc/99/83/49/563998349.db2.gz RDSXAWMEEZCDBV-UHFFFAOYSA-N 0 0 339.439 4.421 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000226747465 563999714 /nfs/dbraw/zinc/99/97/14/563999714.db2.gz WPOIVMFGQINIKM-MBOZVWFJSA-N 0 0 349.390 4.380 50 10 EICARN COc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000001195375 564012994 /nfs/dbraw/zinc/01/29/94/564012994.db2.gz XKTVZFGICBABNX-LFIBNONCSA-N 0 0 341.457 4.097 50 10 EICARN COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000001748034 564013115 /nfs/dbraw/zinc/01/31/15/564013115.db2.gz OWNHXUOXVIGEPW-LFIBNONCSA-N 0 0 341.457 4.097 50 10 EICARN CN(C)c1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000018215110 564018862 /nfs/dbraw/zinc/01/88/62/564018862.db2.gz LGLVXUHUZAMZQJ-UHFFFAOYSA-N 0 0 344.458 4.279 50 10 EICARN S=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCOCC1 ZINC000000547192 564022781 /nfs/dbraw/zinc/02/27/81/564022781.db2.gz SNNFNFHBVGAFIH-UHFFFAOYSA-N 0 0 342.247 4.261 50 10 EICARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC(C)CC1 ZINC000000550438 564022890 /nfs/dbraw/zinc/02/28/90/564022890.db2.gz HVQIOPMBYWPLIJ-QZQOTICOSA-N 0 0 332.379 4.214 50 10 EICARN COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1 ZINC000113834209 564032904 /nfs/dbraw/zinc/03/29/04/564032904.db2.gz LJKLOEWBGHXNOR-XNTDXEJSSA-N 0 0 345.420 4.240 50 10 EICARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1c1cccc(F)c1 ZINC000001308170 564063074 /nfs/dbraw/zinc/06/30/74/564063074.db2.gz ZKYAQBWUDAPYRX-ZSOIEALJSA-N 0 0 333.384 4.371 50 10 EICARN COc1ccccc1-c1c2c(nc(C)c1[N+](=O)[O-])-c1ccccc1C2=O ZINC000075260617 564081265 /nfs/dbraw/zinc/08/12/65/564081265.db2.gz PTXSCJBZTHASTP-UHFFFAOYSA-N 0 0 346.342 4.185 50 10 EICARN Cc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000006451197 564087771 /nfs/dbraw/zinc/08/77/71/564087771.db2.gz FHTYCCIKEYRYBE-JDNHERCYSA-N 0 0 328.437 4.316 50 10 EICARN O=C1c2ccccc2SC1c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000006585717 564092243 /nfs/dbraw/zinc/09/22/43/564092243.db2.gz WSJZEJZHHBKDKH-UHFFFAOYSA-N 0 0 328.780 4.164 50 10 EICARN Cc1cc(C(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000006780846 564097576 /nfs/dbraw/zinc/09/75/76/564097576.db2.gz VDAXQLDBHCXQHP-UHFFFAOYSA-N 0 0 332.403 4.224 50 10 EICARN O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000002307391 564132114 /nfs/dbraw/zinc/13/21/14/564132114.db2.gz INMNXYZGGLVPKJ-WUXMJOGZSA-N 0 0 339.800 4.228 50 10 EICARN C[C@H]1Cc2cc(/C=C3/SC(=S)N(C4CCCC4)C3=O)ccc2O1 ZINC000002435191 564135117 /nfs/dbraw/zinc/13/51/17/564135117.db2.gz HSZVXVYOUBJQAX-YAFRSCOQSA-N 0 0 345.489 4.154 50 10 EICARN CCO[C@H](C)c1nc(C)c(C(=O)N[C@H](CC)c2ccccc2O)s1 ZINC000077006168 564176587 /nfs/dbraw/zinc/17/65/87/564176587.db2.gz APZXWCHFJXIJNO-TZMCWYRMSA-N 0 0 348.468 4.136 50 10 EICARN COc1ccc(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)cc1OC ZINC000000448550 1030443606 /nfs/dbraw/zinc/44/36/06/1030443606.db2.gz VEUALDGQQROHNS-ZROIWOOFSA-N 0 0 342.778 4.339 50 10 EICARN CCC[NH2+]Cc1c([O-])c(CC)cc2c(-c3ccccc3)cc(=O)oc21 ZINC000822959971 1044201418 /nfs/dbraw/zinc/20/14/18/1044201418.db2.gz QTQQJZMURWCFFH-UHFFFAOYSA-N 0 0 337.419 4.228 50 10 EICARN O=C1NC(=S)S/C1=C/c1ccc(-c2nc3ccccc3s2)o1 ZINC000002437424 1047053701 /nfs/dbraw/zinc/05/37/01/1047053701.db2.gz SMECZWFCPJDBIE-KPKJPENVSA-N 0 0 344.442 4.045 50 10 EICARN CCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(Cl)cc3)C2=N)S1 ZINC000004725371 210261505 /nfs/dbraw/zinc/26/15/05/210261505.db2.gz IBEMXIABVPNGGO-LITBSJMGSA-N 0 0 346.843 4.149 50 10 EICARN Cc1ccccc1NC1=NC(=O)C(=Cc2csc([N+](=O)[O-])c2)S1 ZINC000053103436 214164666 /nfs/dbraw/zinc/16/46/66/214164666.db2.gz LAKQWKRZIGBVBV-WUXMJOGZSA-N 0 0 345.405 4.047 50 10 EICARN Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1C1CCCCC1 ZINC000098086293 219080777 /nfs/dbraw/zinc/08/07/77/219080777.db2.gz NBZAQWIZXWWPBE-GDNBJRDFSA-N 0 0 334.510 4.441 50 10 EICARN CCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CCC ZINC000100182297 219094128 /nfs/dbraw/zinc/09/41/28/219094128.db2.gz XIUNRFHFXKLIPX-VBKFSLOCSA-N 0 0 342.468 4.073 50 10 EICARN COC(=O)c1ccc([C@@H]2Nc3c(OC)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000004501462 210204639 /nfs/dbraw/zinc/20/46/39/210204639.db2.gz AQXVDBCIBIMVFA-GJYPPUQNSA-N 0 0 335.403 4.308 50 10 EICARN CC1=NN(c2ccccc2)C(=S)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000100366758 219097875 /nfs/dbraw/zinc/09/78/75/219097875.db2.gz UMHWQFMCMLISSD-LFIBNONCSA-N 0 0 338.392 4.114 50 10 EICARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1cccc(C)c1 ZINC000048346260 213927388 /nfs/dbraw/zinc/92/73/88/213927388.db2.gz LSMJALJEULIQTD-UHFFFAOYSA-N 0 0 343.477 4.229 50 10 EICARN O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O ZINC000004248203 210150833 /nfs/dbraw/zinc/15/08/33/210150833.db2.gz UDDPBRRTKIUOBO-CQSZACIVSA-N 0 0 338.388 4.038 50 10 EICARN Nc1n[nH]c(N)c1/N=N/c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000101637757 219149437 /nfs/dbraw/zinc/14/94/37/219149437.db2.gz QJSLPTCGUBCDFV-FMQUCBEESA-N 0 0 328.763 4.435 50 10 EICARN O=[N+]([O-])c1ccccc1[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2C=CC[C@@H]21 ZINC000004123634 210126778 /nfs/dbraw/zinc/12/67/78/210126778.db2.gz CLXVLQZKEKFOOF-PRXAMGSTSA-N 0 0 337.335 4.330 50 10 EICARN O=C1c2ccccc2-c2nnc(-c3cccc(Br)c3)cc21 ZINC000004006187 210098315 /nfs/dbraw/zinc/09/83/15/210098315.db2.gz QJWHHMRBGUTLMX-UHFFFAOYSA-N 0 0 337.176 4.118 50 10 EICARN COCCNc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 ZINC000003324469 210006872 /nfs/dbraw/zinc/00/68/72/210006872.db2.gz AWJXDGBCUPJBMK-UHFFFAOYSA-N 0 0 345.443 4.415 50 10 EICARN Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 ZINC000102907374 219240739 /nfs/dbraw/zinc/24/07/39/219240739.db2.gz AHDDVDGOWZWOFF-TZIWHRDSSA-N 0 0 343.386 4.030 50 10 EICARN COc1ccccc1N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000000969642 209696687 /nfs/dbraw/zinc/69/66/87/209696687.db2.gz WGJDFDQTAIOZGL-LCYFTJDESA-N 0 0 333.459 4.163 50 10 EICARN CCn1c(/C=C\c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O ZINC000033405915 212935251 /nfs/dbraw/zinc/93/52/51/212935251.db2.gz YAQDUTBXTZQHJG-YPKPFQOOSA-N 0 0 343.430 4.387 50 10 EICARN CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000033389570 212932049 /nfs/dbraw/zinc/93/20/49/212932049.db2.gz HDVGRUHAGPIRQW-WJDWOHSUSA-N 0 0 348.402 4.248 50 10 EICARN CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032594036 212813210 /nfs/dbraw/zinc/81/32/10/212813210.db2.gz PEURXUXRSLWAJP-NTEUORMPSA-N 0 0 333.409 4.307 50 10 EICARN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cc1 ZINC000031091173 212722521 /nfs/dbraw/zinc/72/25/21/212722521.db2.gz WUOWBUFDWYZGRK-UHFFFAOYSA-N 0 0 329.831 4.262 50 10 EICARN Cc1c([O-])c(C[NH+]2CCCCC2)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000000046577 209389501 /nfs/dbraw/zinc/38/95/01/209389501.db2.gz FCBRJEBOCJJWKX-UHFFFAOYSA-N 0 0 349.430 4.460 50 10 EICARN O=C(CCc1ccccc1F)NCc1ccc(N2CCCCC2)cc1 ZINC000072446687 216236262 /nfs/dbraw/zinc/23/62/62/216236262.db2.gz QSOIXWGDMSQHCU-UHFFFAOYSA-N 0 0 340.442 4.065 50 10 EICARN CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+]1CCCCC1 ZINC000020267580 212115842 /nfs/dbraw/zinc/11/58/42/212115842.db2.gz HODUTTCWKJIMSS-UHFFFAOYSA-N 0 0 335.831 4.090 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000013395691 211554886 /nfs/dbraw/zinc/55/48/86/211554886.db2.gz JOOQNNLVTJBLDE-WJDWOHSUSA-N 0 0 345.324 4.424 50 10 EICARN CN(C)c1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1 ZINC000009322633 211068182 /nfs/dbraw/zinc/06/81/82/211068182.db2.gz RPYJOKHMELDVQO-UHFFFAOYSA-N 0 0 349.459 4.062 50 10 EICARN Cc1ccncc1C1=CCN(c2cc(Cl)nc(C3CC3)n2)CC1 ZINC000095943722 218455554 /nfs/dbraw/zinc/45/55/54/218455554.db2.gz JKRJVSNEDHWKEI-UHFFFAOYSA-N 0 0 326.831 4.005 50 10 EICARN O=C(/C=C/c1ccc(N2CCCCCC2)cc1)Nc1nccs1 ZINC000006832136 210724269 /nfs/dbraw/zinc/72/42/69/210724269.db2.gz HRRSLGFJCHWOIR-JXMROGBWSA-N 0 0 327.453 4.175 50 10 EICARN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(N(C)C)cc3)S2)cc1 ZINC000005140369 210397926 /nfs/dbraw/zinc/39/79/26/210397926.db2.gz LEGZHSOCPCFNHJ-SFQUDFHCSA-N 0 0 337.448 4.143 50 10 EICARN CCn1c(C)c(/C=C/c2nc3ccccc3c(=O)n2C)c2ccccc21 ZINC000005050015 210374260 /nfs/dbraw/zinc/37/42/60/210374260.db2.gz IEZAQGFELQNDCK-BUHFOSPRSA-N 0 0 343.430 4.387 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000004852312 210301123 /nfs/dbraw/zinc/30/11/23/210301123.db2.gz AFYBWAYAWSTYQN-UKTHLTGXSA-N 0 0 333.459 4.163 50 10 EICARN CN(C)c1ccc(/C=C2/SC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000097600802 219038935 /nfs/dbraw/zinc/03/89/35/219038935.db2.gz RMGABHPJLRCMPR-LFIBNONCSA-N 0 0 342.395 4.133 50 10 EICARN CC(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000000092382 563223157 /nfs/dbraw/zinc/22/31/57/563223157.db2.gz UECHRCZFFNFJCG-IBGZPJMESA-N 0 0 334.419 4.192 50 10 EICARN CCCn1cnc2cc(NCc3ccc(OC)cc3OC)ccc21 ZINC000001062865 563372183 /nfs/dbraw/zinc/37/21/83/563372183.db2.gz FGSAIFMDWKPIBH-UHFFFAOYSA-N 0 0 325.412 4.076 50 10 EICARN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000001206949 563379101 /nfs/dbraw/zinc/37/91/01/563379101.db2.gz DNENVHRSAZGVTE-MHWRWJLKSA-N 0 0 326.421 4.069 50 10 EICARN O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001220159 563379849 /nfs/dbraw/zinc/37/98/49/563379849.db2.gz XGPCUXQHAWJICF-NTEUORMPSA-N 0 0 347.848 4.451 50 10 EICARN CCN1C(=O)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)SC1=S ZINC000013301985 563694146 /nfs/dbraw/zinc/69/41/46/563694146.db2.gz QFTZFCHXTGZQEA-HYQBVQLESA-N 0 0 344.505 4.062 50 10 EICARN COc1cccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)c1OC ZINC000013574024 563702462 /nfs/dbraw/zinc/70/24/62/563702462.db2.gz TZWDMIBHYKMQRV-GZTJUZNOSA-N 0 0 336.387 4.302 50 10 EICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccc(C)c1C ZINC000013810065 563724112 /nfs/dbraw/zinc/72/41/12/563724112.db2.gz DMNRJKYJTGJZFA-SXGWCWSVSA-N 0 0 326.421 4.035 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O ZINC000015015237 563772206 /nfs/dbraw/zinc/77/22/06/563772206.db2.gz BYPKVIFGBMNLCQ-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN CCN(CC)c1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1 ZINC000015015226 563772233 /nfs/dbraw/zinc/77/22/33/563772233.db2.gz XURJRYMLEFDDCJ-PTNGSMBKSA-N 0 0 334.510 4.142 50 10 EICARN O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000016450953 563812050 /nfs/dbraw/zinc/81/20/50/563812050.db2.gz BMWUJJCUJVFJDF-UVTDQMKNSA-N 0 0 342.401 4.001 50 10 EICARN CCCCN1C(=O)/C(=C/c2ccc3c(c2)CCCN3C)SC1=S ZINC000027023077 563894365 /nfs/dbraw/zinc/89/43/65/563894365.db2.gz FBXMNXUSQFYRJA-VBKFSLOCSA-N 0 0 346.521 4.070 50 10 EICARN COc1ccc(N(Cc2nc(C3CC3)no2)Cc2ccccc2)cc1 ZINC000029439765 563906320 /nfs/dbraw/zinc/90/63/20/563906320.db2.gz WALIDZODILHKEX-UHFFFAOYSA-N 0 0 335.407 4.162 50 10 EICARN CC(=O)Nc1ccc(OC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 ZINC000058382461 563944461 /nfs/dbraw/zinc/94/44/61/563944461.db2.gz PHNDNAYSTSWQBK-UHFFFAOYSA-N 0 0 348.402 4.272 50 10 EICARN Cc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccccc3O)C2)c1 ZINC000097104950 563967619 /nfs/dbraw/zinc/96/76/19/563967619.db2.gz PHVUOGYTBFLQJZ-SFHVURJKSA-N 0 0 346.386 4.285 50 10 EICARN Oc1ccccc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1O ZINC000000038229 563968585 /nfs/dbraw/zinc/96/85/85/563968585.db2.gz WDUVBQZZERJUFX-FQEVSTJZSA-N 0 0 343.386 4.243 50 10 EICARN COC(=O)c1ccc(NN=Nc2cccc(Br)c2)cc1 ZINC000015919691 563974509 /nfs/dbraw/zinc/97/45/09/563974509.db2.gz MIRQQJZAQPPHFX-UHFFFAOYSA-N 0 0 334.173 4.347 50 10 aggregator EICARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2O)cc1 ZINC000000104509 563986428 /nfs/dbraw/zinc/98/64/28/563986428.db2.gz BALQQOSBLXPMAJ-HXUWFJFHSA-N 0 0 330.387 4.472 50 10 EICARN Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000001022070 564012977 /nfs/dbraw/zinc/01/29/77/564012977.db2.gz ADTNPZGLVFOSSP-LFIBNONCSA-N 0 0 325.458 4.396 50 10 EICARN Cc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000001175125 564012990 /nfs/dbraw/zinc/01/29/90/564012990.db2.gz KIDXHVOOTZTVAF-XNTDXEJSSA-N 0 0 341.457 4.102 50 10 EICARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)cc1C ZINC000101150091 564019257 /nfs/dbraw/zinc/01/92/57/564019257.db2.gz IPXIPJXUQQBKJY-MHWRWJLKSA-N 0 0 341.798 4.073 50 10 EICARN COc1cccc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)c1O ZINC000000818074 564035014 /nfs/dbraw/zinc/03/50/14/564035014.db2.gz WSLDXWMYULRVET-HXUWFJFHSA-N 0 0 335.407 4.162 50 10 EICARN CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000001170650 564056232 /nfs/dbraw/zinc/05/62/32/564056232.db2.gz XXSMXVOYVYAUQZ-ZROIWOOFSA-N 0 0 333.409 4.307 50 10 EICARN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2C=CC[C@H]21 ZINC000245231438 564088629 /nfs/dbraw/zinc/08/86/29/564088629.db2.gz CLXVLQZKEKFOOF-PSTGCABASA-N 0 0 337.335 4.330 50 10 EICARN O=C1S/C(=C\c2ccccc2O)C(=S)N1Cc1ccccc1 ZINC000001796559 564090590 /nfs/dbraw/zinc/09/05/90/564090590.db2.gz FCVZOFATQHVTGX-GDNBJRDFSA-N 0 0 327.430 4.430 50 10 EICARN COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2)cc1Cl ZINC000006590477 564092489 /nfs/dbraw/zinc/09/24/89/564092489.db2.gz NMADWZFOOCIDOJ-CYBMUJFWSA-N 0 0 337.206 4.146 50 10 EICARN CN(C)c1ccc(CNc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000006831688 564099206 /nfs/dbraw/zinc/09/92/06/564099206.db2.gz OQIJXZOYWLJNAZ-UHFFFAOYSA-N 0 0 338.480 4.248 50 10 EICARN CN(Cc1ccccc1O)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000065515488 564106743 /nfs/dbraw/zinc/10/67/43/564106743.db2.gz GBTSVCVCWGCYQJ-UHFFFAOYSA-N 0 0 346.839 4.374 50 10 EICARN CN1CCc2cc(CNc3nc(C(F)F)nc4ccccc43)ccc21 ZINC000170598771 564109220 /nfs/dbraw/zinc/10/92/20/564109220.db2.gz AJPVVZOCEJUYKB-UHFFFAOYSA-N 0 0 340.377 4.172 50 10 EICARN CCCCN1c2ccccc2S/C1=C1/SC(=S)N(C)C1=O ZINC000002186276 564120686 /nfs/dbraw/zinc/12/06/86/564120686.db2.gz HUDHRGLYEWGVIR-WYMLVPIESA-N 0 0 336.507 4.058 50 10 EICARN CCOc1ccc(C2=C/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 ZINC000005061558 1025254961 /nfs/dbraw/zinc/25/49/61/1025254961.db2.gz JPIKHZSQNVZBGB-LGMDPLHJSA-N 0 0 335.403 4.133 50 10 EICARN O=C1Nc2ccccc2/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000096663093 1031190578 /nfs/dbraw/zinc/19/05/78/1031190578.db2.gz KFJZLEJSSABEHG-VBKFSLOCSA-N 0 0 349.390 4.078 50 10 EICARN Oc1cccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1O ZINC000052683217 214138915 /nfs/dbraw/zinc/13/89/15/214138915.db2.gz WXWNTQODDNIGHZ-HXUWFJFHSA-N 0 0 329.359 4.087 50 10 EICARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000004680071 210245838 /nfs/dbraw/zinc/24/58/38/210245838.db2.gz JBAJXIBYDIWZOC-COOUDCDJSA-N 0 0 341.457 4.355 50 10 EICARN O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004672573 210242415 /nfs/dbraw/zinc/24/24/15/210242415.db2.gz IXSVSNKMOZZWGJ-KPKJPENVSA-N 0 0 345.713 4.369 50 10 EICARN CCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000097996060 219066361 /nfs/dbraw/zinc/06/63/61/219066361.db2.gz CDKQHVDOFZRUPM-ZROIWOOFSA-N 0 0 333.409 4.307 50 10 EICARN Cc1ccc([N+](=O)[O-])cc1N=Nc1[nH]nc2cc([N+](=O)[O-])ccc21 ZINC000004625485 210233355 /nfs/dbraw/zinc/23/33/55/210233355.db2.gz UVZHCJALFAVOAK-ICFOKQHNSA-N 0 0 326.272 4.103 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000004619123 210232638 /nfs/dbraw/zinc/23/26/38/210232638.db2.gz AVXVXNKSLRNVSY-UWVAXJGDSA-N 0 0 349.390 4.380 50 10 EICARN Cc1cc(CN(C)C(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)no1 ZINC000098054665 219074109 /nfs/dbraw/zinc/07/41/09/219074109.db2.gz YELJYASHQTWACQ-KHPPLWFESA-N 0 0 349.434 4.062 50 10 EICARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O ZINC000004457075 210193429 /nfs/dbraw/zinc/19/34/29/210193429.db2.gz JKUYRBUUTWOODH-MLDYKZIASA-N 0 0 332.469 4.368 50 10 EICARN CN(C)c1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000004109193 210122204 /nfs/dbraw/zinc/12/22/04/210122204.db2.gz UQDFMAADXDDJEH-VBKFSLOCSA-N 0 0 340.473 4.158 50 10 EICARN C[C@H](Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1ccccc1 ZINC000003902977 210089305 /nfs/dbraw/zinc/08/93/05/210089305.db2.gz CRMQYHQSQILFOB-JASJWYONSA-N 0 0 341.457 4.315 50 10 EICARN COc1ccc(-c2csc(Nc3ccc(N)cc3)n2)cc1OC ZINC000003671313 210073908 /nfs/dbraw/zinc/07/39/08/210073908.db2.gz SUMOHGXLIMKFPT-UHFFFAOYSA-N 0 0 327.409 4.153 50 10 EICARN COCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S ZINC000002682712 209889458 /nfs/dbraw/zinc/88/94/58/209889458.db2.gz HPWOJYDXGCRBCZ-NTCAYCPXSA-N 0 0 349.521 4.222 50 10 EICARN CCOc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001297985 209724248 /nfs/dbraw/zinc/72/42/48/209724248.db2.gz RNSNPXNFCHTVML-VBKFSLOCSA-N 0 0 341.457 4.491 50 10 EICARN O=C1S[C@@H](Nc2cccc3ccccc32)C(=O)N1c1ccccc1 ZINC000001064855 209706942 /nfs/dbraw/zinc/70/69/42/209706942.db2.gz NDETVYXIPSIMEI-QGZVFWFLSA-N 0 0 334.400 4.478 50 10 EICARN C[C@@H](NC(=O)Cc1cccs1)c1ccc(N2CCCCC2)cc1 ZINC000072117544 216012363 /nfs/dbraw/zinc/01/23/63/216012363.db2.gz BWUKSEHBQJTUFH-OAHLLOKOSA-N 0 0 328.481 4.158 50 10 EICARN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000000353425 209547558 /nfs/dbraw/zinc/54/75/58/209547558.db2.gz RXAOAEUFYOTJHT-RGEXLXHISA-N 0 0 334.419 4.186 50 10 EICARN Cc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 ZINC000028288080 212613102 /nfs/dbraw/zinc/61/31/02/212613102.db2.gz YKMSUPDQBMNHEK-UHFFFAOYSA-N 0 0 345.446 4.303 50 10 EICARN CCOC(=O)c1cc(C(C)(C)C)n(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000000113936 209428734 /nfs/dbraw/zinc/42/87/34/209428734.db2.gz XHOXUMSFVWKUCY-UHFFFAOYSA-N 0 0 330.384 4.168 50 10 EICARN O=C(c1ccco1)c1coc2ccc([O-])c(C[NH+]3CCCCCC3)c12 ZINC000217941659 241285448 /nfs/dbraw/zinc/28/54/48/241285448.db2.gz QGPLIZSLQMQXRD-UHFFFAOYSA-N 0 0 339.391 4.338 50 10 EICARN O=C(c1ccsc1)c1coc2ccc([O-])c(C[NH+]3CCCCC3)c12 ZINC000218544755 241331036 /nfs/dbraw/zinc/33/10/36/241331036.db2.gz INKQJQQONHSHNL-UHFFFAOYSA-N 0 0 341.432 4.417 50 10 EICARN O=C1N=C(N2CCCC2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000013711911 211617991 /nfs/dbraw/zinc/61/79/91/211617991.db2.gz LNOHTKGSGRONMA-WQLSENKSSA-N 0 0 327.236 4.060 50 10 EICARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(N(C)C)cc2)S1 ZINC000011640043 211228582 /nfs/dbraw/zinc/22/85/82/211228582.db2.gz GONCPBAKNYRGMM-ATVHPVEESA-N 0 0 337.448 4.143 50 10 EICARN CC1CCN(C(=S)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000010387165 211170405 /nfs/dbraw/zinc/17/04/05/211170405.db2.gz GTXKCBVNHJGBJO-UHFFFAOYSA-N 0 0 330.409 4.262 50 10 EICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000005128574 210395933 /nfs/dbraw/zinc/39/59/33/210395933.db2.gz ATDDXTPIVHCVOH-SXGWCWSVSA-N 0 0 326.421 4.035 50 10 EICARN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000005046769 210374786 /nfs/dbraw/zinc/37/47/86/210374786.db2.gz PFTAEYZAOJKFFR-SXGWCWSVSA-N 0 0 326.783 4.160 50 10 EICARN CC[C@@H](C)N1C(=O)/C(=C/C=C/c2ccccc2OC)SC1=S ZINC000004865470 210304424 /nfs/dbraw/zinc/30/44/24/210304424.db2.gz JZGTZMDPRORTDB-YWTOJRBNSA-N 0 0 333.478 4.251 50 10 EICARN Cc1ccc(Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004797980 210280616 /nfs/dbraw/zinc/28/06/16/210280616.db2.gz XATMSWLFSJLJTP-UHFFFAOYSA-N 0 0 328.371 4.096 50 10 EICARN COc1cccc(Oc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000004773060 210275417 /nfs/dbraw/zinc/27/54/17/210275417.db2.gz IRCISKWSDVQUDB-UHFFFAOYSA-N 0 0 330.339 4.263 50 10 EICARN Cn1cc(/C=C2\SC(=S)N(C3CCCC3)C2=O)c2ccccc21 ZINC000004745822 210269370 /nfs/dbraw/zinc/26/93/70/210269370.db2.gz VOLBKMKZMSBXMV-YBEGLDIGSA-N 0 0 342.489 4.322 50 10 EICARN O=C1c2ccccc2-c2nnc(-c3cccc(OC(F)(F)F)c3)cc21 ZINC000000080226 563218326 /nfs/dbraw/zinc/21/83/26/563218326.db2.gz DJSQQZAXXPFNIX-UHFFFAOYSA-N 0 0 342.276 4.254 50 10 EICARN Cc1ccc([C@@H](NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1 ZINC000000102677 563226483 /nfs/dbraw/zinc/22/64/83/563226483.db2.gz IEJCDDPVSNZCAS-GOSISDBHSA-N 0 0 334.419 4.110 50 10 EICARN S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1 ZINC000000283790 563272298 /nfs/dbraw/zinc/27/22/98/563272298.db2.gz KORAHNXRCDXTID-UHFFFAOYSA-N 0 0 342.247 4.261 50 10 EICARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cccs1 ZINC000000432477 563311327 /nfs/dbraw/zinc/31/13/27/563311327.db2.gz VGCCSWWTJFPQGV-FLIBITNWSA-N 0 0 333.206 4.492 50 10 EICARN O=C1/C(=C/c2ccccc2)SC(=S)N1CCc1ccccc1 ZINC000000975039 563366701 /nfs/dbraw/zinc/36/67/01/563366701.db2.gz OXUMWMCJBWOBKY-SSZFMOIBSA-N 0 0 325.458 4.131 50 10 EICARN CC[C@H](C)N1C(=O)/C(=C/C=C/c2ccccc2OC)SC1=S ZINC000001165049 563376957 /nfs/dbraw/zinc/37/69/57/563376957.db2.gz JZGTZMDPRORTDB-YBPNDSEJSA-N 0 0 333.478 4.251 50 10 EICARN CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001178483 563377715 /nfs/dbraw/zinc/37/77/15/563377715.db2.gz BCDFWRMGLBWQGU-FLIBITNWSA-N 0 0 342.283 4.060 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000001209193 563379196 /nfs/dbraw/zinc/37/91/96/563379196.db2.gz VJOJUSZIBYGPFC-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN Cc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000013562565 563701699 /nfs/dbraw/zinc/70/16/99/563701699.db2.gz WXQMHOIZSZBDRJ-LGMDPLHJSA-N 0 0 339.485 4.439 50 10 EICARN COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000013590081 563702836 /nfs/dbraw/zinc/70/28/36/563702836.db2.gz NGYONQMXGOEQBY-LFIBNONCSA-N 0 0 341.457 4.409 50 10 EICARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000013785658 563723284 /nfs/dbraw/zinc/72/32/84/563723284.db2.gz BVMMYTBDKKYXMK-YVLHZVERSA-N 0 0 340.448 4.377 50 10 EICARN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1Cl ZINC000032914709 563811680 /nfs/dbraw/zinc/81/16/80/563811680.db2.gz DWTQWYLKPOCJJI-UHFFFAOYSA-N 0 0 332.806 4.009 50 10 EICARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000017360292 563843496 /nfs/dbraw/zinc/84/34/96/563843496.db2.gz DIGSBNOZLNNDAQ-LKKYZFDUSA-N 0 0 334.510 4.499 50 10 EICARN Cc1cccc(C)c1NC(=O)CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000025053632 563880531 /nfs/dbraw/zinc/88/05/31/563880531.db2.gz HYKYGHZCJLVPGS-UHFFFAOYSA-N 0 0 347.390 4.189 50 10 EICARN COc1ccc(Cl)cc1NCc1cc(Br)ccc1O ZINC000044836261 563926708 /nfs/dbraw/zinc/92/67/08/563926708.db2.gz XIKYCJYRKNAKKC-UHFFFAOYSA-N 0 0 342.620 4.429 50 10 EICARN COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl ZINC000033312319 563973609 /nfs/dbraw/zinc/97/36/09/563973609.db2.gz LZASHNHZYWCKMU-XNTDXEJSSA-N 0 0 326.783 4.155 50 10 EICARN Oc1c([C@H](Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc21 ZINC000000086086 563975880 /nfs/dbraw/zinc/97/58/80/563975880.db2.gz LYEBONJOTDUHOF-QGZVFWFLSA-N 0 0 346.365 4.071 50 10 EICARN CCc1cccc(C)c1N1C(=O)CN(Cc2sccc2C)C1=S ZINC000000216410 563988681 /nfs/dbraw/zinc/98/86/81/563988681.db2.gz RLLPOGZUAWMFOM-UHFFFAOYSA-N 0 0 344.505 4.061 50 10 EICARN CCOC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C(C)(C)C)CC3 ZINC000000367154 563991762 /nfs/dbraw/zinc/99/17/62/563991762.db2.gz UZGCAMIQNKEMFP-NSHDSACASA-N 0 0 332.469 4.206 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000226747449 563999713 /nfs/dbraw/zinc/99/97/13/563999713.db2.gz WPOIVMFGQINIKM-FUHIMQAGSA-N 0 0 349.390 4.380 50 10 EICARN Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000062224627 564003967 /nfs/dbraw/zinc/00/39/67/564003967.db2.gz AIWYGEZACDOMCE-UHFFFAOYSA-N 0 0 347.462 4.397 50 10 EICARN Oc1ccccc1C1=NN[C@H](c2ccc(Cl)cc2Cl)S1 ZINC000003155993 564013577 /nfs/dbraw/zinc/01/35/77/564013577.db2.gz SWOXBVSWEIYAMV-ZDUSSCGKSA-N 0 0 325.220 4.396 50 10 EICARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000005694879 564019154 /nfs/dbraw/zinc/01/91/54/564019154.db2.gz POKVGKJDASKTQX-LERPTODRSA-N 0 0 334.510 4.499 50 10 EICARN Cc1ccccc1NC=C1SC(=S)N(c2ccc(F)cc2)C1=O ZINC000101937151 564019677 /nfs/dbraw/zinc/01/96/77/564019677.db2.gz FDCWTAUDKQJFDA-GDNBJRDFSA-N 0 0 344.436 4.452 50 10 EICARN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000013612436 564020492 /nfs/dbraw/zinc/02/04/92/564020492.db2.gz CLYJFIXUVZYLLY-UHFFFAOYSA-N 0 0 328.843 4.260 50 10 EICARN CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000005797891 564052245 /nfs/dbraw/zinc/05/22/45/564052245.db2.gz DTMYRAOASHMAAV-HXUWFJFHSA-N 0 0 347.418 4.112 50 10 EICARN Cc1cc(C(=O)CN2CCC[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000003257459 564058757 /nfs/dbraw/zinc/05/87/57/564058757.db2.gz YROVKHWEZGOCDG-AWEZNQCLSA-N 0 0 328.431 4.148 50 10 EICARN COC(=O)c1ccc([C@@H]2Nc3c(OC)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000013389473 564073929 /nfs/dbraw/zinc/07/39/29/564073929.db2.gz AQXVDBCIBIMVFA-MDZRGWNJSA-N 0 0 335.403 4.308 50 10 EICARN Cc1ccc([C@H]2C[C@H](c3cc(Cl)ccc3O)Nc3ncnn32)cc1 ZINC000000389019 564082672 /nfs/dbraw/zinc/08/26/72/564082672.db2.gz RLXRSACLVHZKNS-HZPDHXFCSA-N 0 0 340.814 4.092 50 10 EICARN O=c1c(Cc2ccccc2)nc(-c2ccccc2)nn1-c1ccccc1 ZINC000006474424 564089485 /nfs/dbraw/zinc/08/94/85/564089485.db2.gz VGXSTUAMDJLTCR-CAPFRKAQSA-N 0 0 339.398 4.026 50 10 EICARN COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21 ZINC000169682998 564098514 /nfs/dbraw/zinc/09/85/14/564098514.db2.gz PSPLPPYNGLDIRF-SCFUHWHPSA-N 0 0 326.396 4.414 50 10 EICARN O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccccc1Cl ZINC000002356527 564133577 /nfs/dbraw/zinc/13/35/77/564133577.db2.gz LCGMNAPTXNITJO-LCYFTJDESA-N 0 0 332.837 4.141 50 10 EICARN COc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)c1 ZINC000002452155 564135752 /nfs/dbraw/zinc/13/57/52/564135752.db2.gz YCEYYERGUKZCSY-RNEAAXAUSA-N 0 0 343.429 4.250 50 10 EICARN CC(C)(C)c1n[nH]cc1C=C1SC(=S)N(c2ccccc2)C1=O ZINC000063276532 1052612042 /nfs/dbraw/zinc/61/20/42/1052612042.db2.gz MDOFJNKTJTWIAE-LCYFTJDESA-N 0 0 343.477 4.113 50 10 EICARN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)Cc1ccccc1O ZINC000056878555 214392833 /nfs/dbraw/zinc/39/28/33/214392833.db2.gz LHXSPOAQGAOXTI-UHFFFAOYSA-N 0 0 340.448 4.133 50 10 EICARN O=C1c2ccccc2C(=O)C1c1cc(=O)[nH]c2c3ccccc3ccc12 ZINC000100311557 219096980 /nfs/dbraw/zinc/09/69/80/219096980.db2.gz ZXIOQIBZDGWGFJ-UHFFFAOYSA-N 0 0 339.350 4.256 50 10 EICARN CCOc1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 ZINC000004359140 210180497 /nfs/dbraw/zinc/18/04/97/210180497.db2.gz KJBKMANARWVXCI-DEDYPNTBSA-N 0 0 349.434 4.421 50 10 EICARN Cc1cc(C)n2[n-]c(=O)c(N=Nc3cccc(C(F)(F)F)c3)c2n1 ZINC000101926364 219173924 /nfs/dbraw/zinc/17/39/24/219173924.db2.gz FQVAFGRKZUFQLS-QZQOTICOSA-N 0 0 335.289 4.074 50 10 EICARN COc1ccc(NCc2cc(Br)ccc2O)cc1Cl ZINC000044836258 213649838 /nfs/dbraw/zinc/64/98/38/213649838.db2.gz BGISTXZTWXDJEK-UHFFFAOYSA-N 0 0 342.620 4.429 50 10 EICARN O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1Cc1ccco1 ZINC000001450928 209751072 /nfs/dbraw/zinc/75/10/72/209751072.db2.gz PIJWQLUDDDUFEY-JBZDNPHWSA-N 0 0 327.430 4.237 50 10 EICARN Cc1ccc(C2=NC(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])o3)S2)cc1 ZINC000000439689 209601183 /nfs/dbraw/zinc/60/11/83/209601183.db2.gz VCORTNQGHGFUJV-YFBKQRKCSA-N 0 0 340.360 4.114 50 10 EICARN Cc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O ZINC000033316806 212924129 /nfs/dbraw/zinc/92/41/29/212924129.db2.gz KIDXHVOOTZTVAF-GDNBJRDFSA-N 0 0 341.457 4.102 50 10 EICARN CCCc1cc([C@H]2CCCN2Cc2cccc(OCC)c2O)no1 ZINC000021720399 212244692 /nfs/dbraw/zinc/24/46/92/212244692.db2.gz BWZLHHWKNNRWEE-QGZVFWFLSA-N 0 0 330.428 4.069 50 10 EICARN CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+]1CCCC1 ZINC000020289870 212116626 /nfs/dbraw/zinc/11/66/26/212116626.db2.gz BVATZHAEXPQYGE-UHFFFAOYSA-N 0 0 335.831 4.090 50 10 aggregator EICARN Cc1ccnc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000019851401 212076820 /nfs/dbraw/zinc/07/68/20/212076820.db2.gz IOQCYUYXGUSASM-HXUWFJFHSA-N 0 0 342.402 4.240 50 10 EICARN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000013881012 211653872 /nfs/dbraw/zinc/65/38/72/211653872.db2.gz VILDIWRIHMNTOA-NVNXTCNLSA-N 0 0 346.839 4.414 50 10 EICARN Cc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1 ZINC000012614658 211423907 /nfs/dbraw/zinc/42/39/07/211423907.db2.gz JPSGYNZPGUVMIP-RGEXLXHISA-N 0 0 328.371 4.423 50 10 EICARN CC1CCN(C(=S)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000010387163 211170336 /nfs/dbraw/zinc/17/03/36/211170336.db2.gz GDCDKVUCCHUGRP-UHFFFAOYSA-N 0 0 330.409 4.262 50 10 EICARN Cc1cc(CNC(=O)NCC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000009969754 211137879 /nfs/dbraw/zinc/13/78/79/211137879.db2.gz FUNJLKSBGYOBIL-UHFFFAOYSA-N 0 0 333.863 4.203 50 10 EICARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000009971595 211137905 /nfs/dbraw/zinc/13/79/05/211137905.db2.gz GZRCPYBYMUWKRA-JXCQQFQQSA-N 0 0 326.446 4.044 50 10 EICARN O=C(c1ccccc1)c1ccccc1NC(=S)NCc1ccccc1 ZINC000008156572 210903737 /nfs/dbraw/zinc/90/37/37/210903737.db2.gz JFGADKVABFHVQZ-UHFFFAOYSA-N 0 0 346.455 4.404 50 10 EICARN CCOC(=O)C1=CS/C(=C\C(=S)c2ccc(OC)cc2)S1 ZINC000005897855 210556382 /nfs/dbraw/zinc/55/63/82/210556382.db2.gz HUGHRCWQVBHRIB-RIYZIHGNSA-N 0 0 338.475 4.139 50 10 EICARN Cc1ccccc1NCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000005804322 210540446 /nfs/dbraw/zinc/54/04/46/210540446.db2.gz WFZWGDUJPRAASZ-NTEUORMPSA-N 0 0 346.502 4.327 50 10 EICARN CCc1ccc(N2N=C(C)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000005124096 210394320 /nfs/dbraw/zinc/39/43/20/210394320.db2.gz LCARSBJFNRFNIV-ZHZULCJRSA-N 0 0 333.435 4.121 50 10 EICARN Cc1cccc(Oc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000004918661 210324378 /nfs/dbraw/zinc/32/43/78/210324378.db2.gz LAAXPSWURFARNB-UHFFFAOYSA-N 0 0 329.355 4.145 50 10 EICARN CCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000004871489 210310625 /nfs/dbraw/zinc/31/06/25/210310625.db2.gz XEGKDHKVJSUJPK-MKVLZVNKSA-N 0 0 331.462 4.005 50 10 EICARN CCN1C(=O)/C(=C/C=C2\C=CN(CC)c3ccccc32)SC1=S ZINC000013482613 535425826 /nfs/dbraw/zinc/42/58/26/535425826.db2.gz OUISGIHZLXBQHG-AJVLGPTGSA-N 0 0 342.489 4.188 50 10 EICARN Cc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1C ZINC000001002982 563368013 /nfs/dbraw/zinc/36/80/13/563368013.db2.gz ALCPKHYHYLLSML-YBEGLDIGSA-N 0 0 341.457 4.415 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000001091729 563374241 /nfs/dbraw/zinc/37/42/41/563374241.db2.gz NGYONQMXGOEQBY-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN O=C1/C(=C/c2ccccc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 ZINC000001193730 563378944 /nfs/dbraw/zinc/37/89/44/563378944.db2.gz SEKKGFIQCQIKPW-ZROIWOOFSA-N 0 0 342.401 4.001 50 10 EICARN O=[N+]([O-])c1cnc(Sc2nc3cc(Cl)ccc3s2)s1 ZINC000003046117 563470266 /nfs/dbraw/zinc/47/02/66/563470266.db2.gz RLZYEXSYEAWXNA-UHFFFAOYSA-N 0 0 329.815 4.466 50 10 EICARN CN(C)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000006287476 563564046 /nfs/dbraw/zinc/56/40/46/563564046.db2.gz AFCHMKDARKBNRJ-UVTDQMKNSA-N 0 0 346.502 4.220 50 10 EICARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccccc1F ZINC000006647828 563576300 /nfs/dbraw/zinc/57/63/00/563576300.db2.gz DSZWCKYCXGJNNX-UHFFFAOYSA-N 0 0 335.791 4.086 50 10 EICARN CN1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCCCCC2)cc1 ZINC000024210727 563869673 /nfs/dbraw/zinc/86/96/73/563869673.db2.gz DHFBYLWEYQIDNS-HXUWFJFHSA-N 0 0 335.451 4.263 50 10 EICARN CCCCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000026770669 563893154 /nfs/dbraw/zinc/89/31/54/563893154.db2.gz FMFCUKOLCOUSFY-VKAVYKQESA-N 0 0 344.480 4.322 50 10 EICARN CN(C)c1ccc(/C=C/C(=O)N(C)C2C3CC4CC(C3)CC2C4)cc1 ZINC000058391387 563944528 /nfs/dbraw/zinc/94/45/28/563944528.db2.gz LTRYRCVZTGKPEP-RMKNXTFCSA-N 0 0 338.495 4.049 50 10 EICARN CCn1ccc2c1cccc2-c1c(-c2ccccc2)ncn1CCO ZINC000065458306 563961180 /nfs/dbraw/zinc/96/11/80/563961180.db2.gz SDHVLROUTXHAIB-UHFFFAOYSA-N 0 0 331.419 4.184 50 10 EICARN CCc1cc2c(C)cc(=O)oc2c(C[N@H+]2CCCC[C@H]2CC)c1[O-] ZINC000000038086 563968550 /nfs/dbraw/zinc/96/85/50/563968550.db2.gz VNJQRLQPSJKPFE-OAHLLOKOSA-N 0 0 329.440 4.134 50 10 biogenic EICARN Cc1cc(C)c2c(N)c(C(=O)Oc3ccc(Cl)cc3)sc2n1 ZINC000000108002 563986532 /nfs/dbraw/zinc/98/65/32/563986532.db2.gz CTGPDSCJFIUDFL-UHFFFAOYSA-N 0 0 332.812 4.368 50 10 EICARN COc1ccc(OC)c(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)c1 ZINC000000432572 564012590 /nfs/dbraw/zinc/01/25/90/564012590.db2.gz LXPVBCCALSDTBO-LCYFTJDESA-N 0 0 342.778 4.339 50 10 EICARN CCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 ZINC000000529070 564021373 /nfs/dbraw/zinc/02/13/73/564021373.db2.gz YGZXWJAKQMAZCI-UHFFFAOYSA-N 0 0 344.461 4.272 50 10 EICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(N(C)C)cc1 ZINC000103999716 564023582 /nfs/dbraw/zinc/02/35/82/564023582.db2.gz OSJQONNGPBTUFA-DEDYPNTBSA-N 0 0 348.450 4.088 50 10 EICARN O=C1/C(=C\c2ccccc2F)SC(=S)N1Cc1ccccc1 ZINC000015011482 564023933 /nfs/dbraw/zinc/02/39/33/564023933.db2.gz QMMYIWYMKRDXOW-XNTDXEJSSA-N 0 0 329.421 4.227 50 10 EICARN COc1ccc(N2N=C(C)/C(=C\c3ccc(Cl)cc3)C2=O)cc1 ZINC000108864327 564028509 /nfs/dbraw/zinc/02/85/09/564028509.db2.gz OVDGWFFWIBYSBZ-GZTJUZNOSA-N 0 0 326.783 4.155 50 10 EICARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1ccco1 ZINC000604404069 564034838 /nfs/dbraw/zinc/03/48/38/564034838.db2.gz BFIZJAYWLCLKCF-UHFFFAOYSA-N 0 0 341.366 4.049 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1 ZINC000001063112 564054295 /nfs/dbraw/zinc/05/42/95/564054295.db2.gz RQTKNVWEMKEBAM-NTEUORMPSA-N 0 0 331.418 4.002 50 10 EICARN O=C1NC(=S)S/C1=C\c1ccccc1Sc1ccccc1 ZINC000001084288 564054322 /nfs/dbraw/zinc/05/43/22/564054322.db2.gz JKMZRSXVUSYMEQ-UVTDQMKNSA-N 0 0 329.471 4.327 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c(C)c1 ZINC000001245914 564062693 /nfs/dbraw/zinc/06/26/93/564062693.db2.gz DROQMFXBDAVZOH-GDNBJRDFSA-N 0 0 326.446 4.104 50 10 EICARN COc1ccccc1N1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000006166121 564077069 /nfs/dbraw/zinc/07/70/69/564077069.db2.gz MUNRKZLCVMGFMU-XNTDXEJSSA-N 0 0 345.420 4.240 50 10 EICARN Cc1ccc([C@@H]2C[C@@H](c3cc(Cl)ccc3O)Nc3ncnn32)cc1 ZINC000000389018 564082657 /nfs/dbraw/zinc/08/26/57/564082657.db2.gz RLXRSACLVHZKNS-HOTGVXAUSA-N 0 0 340.814 4.092 50 10 EICARN Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c(O)c1 ZINC000006426359 564086130 /nfs/dbraw/zinc/08/61/30/564086130.db2.gz PTUFJQVHTKXFLN-QLJPJBMISA-N 0 0 328.437 4.316 50 10 EICARN COc1ccc(-c2nc(NCc3ccccc3O)sc2C)cc1 ZINC000004550805 564111733 /nfs/dbraw/zinc/11/17/33/564111733.db2.gz ALMUYSMEFUOVNM-UHFFFAOYSA-N 0 0 326.421 4.445 50 10 EICARN CC[C@@H](C)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000006355836 564117396 /nfs/dbraw/zinc/11/73/96/564117396.db2.gz PKZKEIRENKXBOJ-PDICVPPASA-N 0 0 331.462 4.005 50 10 EICARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1 ZINC000004714164 210256780 /nfs/dbraw/zinc/25/67/80/210256780.db2.gz YMVUKSQPEIRBPV-VBQJREDUSA-N 0 0 337.335 4.330 50 10 EICARN COc1ccccc1C=CC=C1SC(Nc2ccccc2)=NC1=O ZINC000057538083 214435212 /nfs/dbraw/zinc/43/52/12/214435212.db2.gz KLKRKDZTDKEAGA-PHAINURESA-N 0 0 336.416 4.334 50 10 EICARN Cc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)o1 ZINC000004598792 210229647 /nfs/dbraw/zinc/22/96/47/210229647.db2.gz JPSGYNZPGUVMIP-XMHGGMMESA-N 0 0 328.371 4.423 50 10 EICARN Cc1ccc(O)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1 ZINC000004571300 210224517 /nfs/dbraw/zinc/22/45/17/210224517.db2.gz WNLFYHSLWBHJPD-MGPLVRAMSA-N 0 0 328.437 4.316 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)cc1C ZINC000100148499 219092720 /nfs/dbraw/zinc/09/27/20/219092720.db2.gz NNLWHNIICWBYAL-YBEGLDIGSA-N 0 0 341.798 4.073 50 10 EICARN CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000100320506 219096521 /nfs/dbraw/zinc/09/65/21/219096521.db2.gz OWRGMZXXZJDRIQ-LFIBNONCSA-N 0 0 334.375 4.002 50 10 EICARN CCCn1cnc2cc(NCc3cccc(OC)c3OC)ccc21 ZINC000003907442 210091168 /nfs/dbraw/zinc/09/11/68/210091168.db2.gz ALWBXMHQECBVPY-UHFFFAOYSA-N 0 0 325.412 4.076 50 10 EICARN COc1ccc(CCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000003642514 210069843 /nfs/dbraw/zinc/06/98/43/210069843.db2.gz NORFQZJFEUVXFP-UHFFFAOYSA-N 0 0 345.402 4.321 50 10 EICARN CN(C)c1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000001452454 209751214 /nfs/dbraw/zinc/75/12/14/209751214.db2.gz LFJMMSRNBPHJMF-FOWTUZBSSA-N 0 0 346.521 4.287 50 10 EICARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000000045110 209388114 /nfs/dbraw/zinc/38/81/14/209388114.db2.gz DLZWDJYQYWBOLU-AWEZNQCLSA-N 0 0 337.419 4.416 50 10 EICARN COc1cccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)c1OC ZINC000022478723 212300887 /nfs/dbraw/zinc/30/08/87/212300887.db2.gz SYKNWHHQUNGRSD-LFIBNONCSA-N 0 0 336.387 4.302 50 10 EICARN Cc1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)n1 ZINC000021729066 212246638 /nfs/dbraw/zinc/24/66/38/212246638.db2.gz LFZRZBCBGYZINQ-IBGZPJMESA-N 0 0 342.402 4.240 50 10 EICARN O=C(c1ccsc1)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O ZINC000225781954 242032634 /nfs/dbraw/zinc/03/26/34/242032634.db2.gz WUUXHNQCJVIUNE-OAHLLOKOSA-N 0 0 338.388 4.038 50 10 EICARN CCOc1cccc(CN2CCC[C@@H]2c2cc(C(C)C)on2)c1O ZINC000021720393 212244363 /nfs/dbraw/zinc/24/43/63/212244363.db2.gz UYDIQYSDWYVNPW-MRXNPFEDSA-N 0 0 330.428 4.239 50 10 EICARN COc1cc(OC)c(NCc2cc(Cl)ccc2O)cc1Cl ZINC000020553036 212146491 /nfs/dbraw/zinc/14/64/91/212146491.db2.gz IAFHWCPRAOUMRE-UHFFFAOYSA-N 0 0 328.195 4.328 50 10 EICARN CC(C)N1C[C@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1=O ZINC000020109932 212102462 /nfs/dbraw/zinc/10/24/62/212102462.db2.gz PUFPJOYUFOPUSY-GOSISDBHSA-N 0 0 345.446 4.468 50 10 EICARN Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccn3)c(O)c2n1 ZINC000019843044 212075468 /nfs/dbraw/zinc/07/54/68/212075468.db2.gz OZUXQEGCXXIRJP-FQEVSTJZSA-N 0 0 342.402 4.240 50 10 EICARN Cc1ccnc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)c1 ZINC000019800004 212070325 /nfs/dbraw/zinc/07/03/25/212070325.db2.gz TVPUVEWTDLBXFX-LJQANCHMSA-N 0 0 342.402 4.240 50 10 EICARN CN(C)c1ccc(CNC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000017805646 211972459 /nfs/dbraw/zinc/97/24/59/211972459.db2.gz HKKZKOPJCKYUCP-UHFFFAOYSA-N 0 0 330.431 4.350 50 10 EICARN CC(C)c1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000016790836 211935206 /nfs/dbraw/zinc/93/52/06/211935206.db2.gz AENIMYBLSXSYQQ-CCAPLTMGSA-N 0 0 347.505 4.190 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000013714381 211618156 /nfs/dbraw/zinc/61/81/56/211618156.db2.gz WIDXHXGLSRTZTG-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN CN(C)c1ccc([C@@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000005328650 210439581 /nfs/dbraw/zinc/43/95/81/210439581.db2.gz WDDKXKNEUKALBY-OAQYLSRUSA-N 0 0 328.419 4.135 50 10 EICARN O=C1/C(=C/c2ccccc2F)SC(=S)N1c1cccc(F)c1 ZINC000005172439 210406824 /nfs/dbraw/zinc/40/68/24/210406824.db2.gz FPBCSOBEYOMPQZ-ZSOIEALJSA-N 0 0 333.384 4.371 50 10 EICARN CCOC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CCCC3 ZINC000004805604 210281261 /nfs/dbraw/zinc/28/12/61/210281261.db2.gz MKRXIFNNZQUUTM-UHFFFAOYSA-N 0 0 342.420 4.194 50 10 EICARN Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000004749723 210270055 /nfs/dbraw/zinc/27/00/55/210270055.db2.gz ZBLRGEOKRUAHSK-WOJGMQOQSA-N 0 0 347.443 4.386 50 10 EICARN O=C1c2ccccc2N[C@@H](c2ccccc2O)N1c1ccc(F)cc1 ZINC000000067192 527134057 /nfs/dbraw/zinc/13/40/57/527134057.db2.gz ZEFTXOXLFAHRAD-LJQANCHMSA-N 0 0 334.350 4.302 50 10 EICARN COc1cc(OC)c(C2Nc3cccc4cccc(c43)N2)c(OC)c1 ZINC000000232253 563263822 /nfs/dbraw/zinc/26/38/22/563263822.db2.gz VLBQWFZKQNEMRT-UHFFFAOYSA-N 0 0 336.391 4.402 50 10 EICARN COc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc32)cc1 ZINC000000446324 563317297 /nfs/dbraw/zinc/31/72/97/563317297.db2.gz PVVXKVZDFCYHSG-NRFANRHFSA-N 0 0 349.430 4.416 50 10 EICARN Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc2n1C ZINC000000453662 563322316 /nfs/dbraw/zinc/32/23/16/563322316.db2.gz FJIQVOFAHQGIER-AQTBWJFISA-N 0 0 329.403 4.293 50 10 EICARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)cc2)c1C ZINC000000472474 563332587 /nfs/dbraw/zinc/33/25/87/563332587.db2.gz FVMKEDCKEZVROI-UHFFFAOYSA-N 0 0 333.453 4.107 50 10 EICARN Oc1ccc(Br)cc1CNc1cc(F)c(F)cc1F ZINC000000732345 563363041 /nfs/dbraw/zinc/36/30/41/563363041.db2.gz HGDIZVHJXWPBPZ-UHFFFAOYSA-N 0 0 332.119 4.184 50 10 EICARN CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 ZINC000001221326 563380331 /nfs/dbraw/zinc/38/03/31/563380331.db2.gz WTRODHQFMRVGPS-GDNBJRDFSA-N 0 0 345.445 4.393 50 10 EICARN O=C(C(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000001811677 563413472 /nfs/dbraw/zinc/41/34/72/563413472.db2.gz WNRSXVBUMAVXMU-UHFFFAOYSA-N 0 0 347.326 4.453 50 10 EICARN CCCCN(CCCC)c1ccc(/C=C2\SC(=N)NC2=O)cc1 ZINC000002095120 563422444 /nfs/dbraw/zinc/42/24/44/563422444.db2.gz QPNWEMJEXIILSQ-SSZFMOIBSA-N 0 0 331.485 4.232 50 10 EICARN CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC)SC1=S ZINC000034737593 563472551 /nfs/dbraw/zinc/47/25/51/563472551.db2.gz KJXKJGBRCAUHMN-ZKLMZBBOSA-N 0 0 348.518 4.224 50 10 EICARN O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccc(Cl)c1 ZINC000013583361 563702855 /nfs/dbraw/zinc/70/28/55/563702855.db2.gz KOGFOOUMABYCIX-QPEQYQDCSA-N 0 0 332.837 4.141 50 10 EICARN O=C1OC(c2ccccc2)=C/C1=C\c1ccccc1Br ZINC000015016343 563772353 /nfs/dbraw/zinc/77/23/53/563772353.db2.gz MXOVCLIXOPSMQD-GXDHUFHOSA-N 0 0 327.177 4.430 50 10 EICARN CC(=O)c1ccc(NC=C2C(C)=NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000015134069 563778687 /nfs/dbraw/zinc/77/86/87/563778687.db2.gz GJHUXNNOWZPJNQ-NDENLUEZSA-N 0 0 347.418 4.225 50 10 EICARN CCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000058196717 563939561 /nfs/dbraw/zinc/93/95/61/563939561.db2.gz UTDBPRJPWVZQEI-NRFANRHFSA-N 0 0 335.451 4.013 50 10 EICARN O=C(Cc1ccc2c(c1)CCC2)NCc1ccc(N2CCCCC2)cc1 ZINC000058369793 563944090 /nfs/dbraw/zinc/94/40/90/563944090.db2.gz IUZBTCGCCCRMLT-UHFFFAOYSA-N 0 0 348.490 4.025 50 10 EICARN COC(=O)c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000000084100 563974854 /nfs/dbraw/zinc/97/48/54/563974854.db2.gz KZWLVTOIITXNRI-XNTDXEJSSA-N 0 0 340.762 4.108 50 10 EICARN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1OC ZINC000000120749 563986769 /nfs/dbraw/zinc/98/67/69/563986769.db2.gz VKFDUDUPVUIVOZ-KRWDZBQOSA-N 0 0 348.402 4.001 50 10 EICARN CCc1cc2c(C)cc(=O)oc2c(C[NH+](CC(C)C)CC(C)C)c1[O-] ZINC000000137922 563987030 /nfs/dbraw/zinc/98/70/30/563987030.db2.gz MPWWGTKGIAECAW-UHFFFAOYSA-N 0 0 345.483 4.483 50 10 EICARN CCOC(=O)c1sc2nc3c(cc2c1N)C[C@H](C(C)(C)C)CC3 ZINC000000367152 563991759 /nfs/dbraw/zinc/99/17/59/563991759.db2.gz UZGCAMIQNKEMFP-LLVKDONJSA-N 0 0 332.469 4.206 50 10 EICARN O=C1/C(=C\c2csc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000084549206 564001211 /nfs/dbraw/zinc/00/12/11/564001211.db2.gz ZJMJEQVCHSLIGQ-IZZDOVSWSA-N 0 0 348.430 4.062 50 10 EICARN COc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000002453781 564002148 /nfs/dbraw/zinc/00/21/48/564002148.db2.gz KXTVSFYZTYYHHE-IJPYFETJSA-N 0 0 343.429 4.250 50 10 EICARN Cc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+](C)Cc1ccccc1 ZINC000005697450 564019273 /nfs/dbraw/zinc/01/92/73/564019273.db2.gz GIUNPICXIIGCAZ-UHFFFAOYSA-N 0 0 343.810 4.092 50 10 biogenic EICARN CCOc1cccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1O ZINC000000818131 564035270 /nfs/dbraw/zinc/03/52/70/564035270.db2.gz XVWTYTKKFQIUTM-FQEVSTJZSA-N 0 0 335.407 4.244 50 10 EICARN CN(Cc1ccccc1O)C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000042116907 564058346 /nfs/dbraw/zinc/05/83/46/564058346.db2.gz PFHHBTZYCPVNPW-UHFFFAOYSA-N 0 0 334.419 4.025 50 10 EICARN Cc1c(C)c2cc(C[N@H+](C)Cc3ccccc3)c([O-])c(C)c2oc1=O ZINC000002130595 564058367 /nfs/dbraw/zinc/05/83/67/564058367.db2.gz BJEXHFQZHGWYSI-UHFFFAOYSA-N 0 0 337.419 4.056 50 10 biogenic EICARN CC(C)CN(Cc1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O ZINC000534578901 564061129 /nfs/dbraw/zinc/06/11/29/564061129.db2.gz JBUIJNZSKDUFEN-OAHLLOKOSA-N 0 0 344.430 4.460 50 10 EICARN Cc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c1C ZINC000006055777 564073139 /nfs/dbraw/zinc/07/31/39/564073139.db2.gz ALCPKHYHYLLSML-MHWRWJLKSA-N 0 0 341.457 4.415 50 10 EICARN COc1ccc(CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000075253676 564081215 /nfs/dbraw/zinc/08/12/15/564081215.db2.gz PXQBUZKDVQPEOV-UHFFFAOYSA-N 0 0 342.394 4.255 50 10 EICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000075262377 564081264 /nfs/dbraw/zinc/08/12/64/564081264.db2.gz ULYZQKIYKCVMQO-BOPFTXTBSA-N 0 0 335.363 4.018 50 10 EICARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C2=O ZINC000075286481 564081539 /nfs/dbraw/zinc/08/15/39/564081539.db2.gz XTAVLUYXWMXQQJ-UHFFFAOYSA-N 0 0 345.398 4.233 50 10 EICARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 ZINC000001089946 564081766 /nfs/dbraw/zinc/08/17/66/564081766.db2.gz OZOSVBVITYOLAW-UVTDQMKNSA-N 0 0 342.401 4.001 50 10 EICARN Cc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1O ZINC000006451198 564087776 /nfs/dbraw/zinc/08/77/76/564087776.db2.gz FHTYCCIKEYRYBE-XXFAHNHDSA-N 0 0 328.437 4.316 50 10 EICARN CCOc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1 ZINC000006554292 564091968 /nfs/dbraw/zinc/09/19/68/564091968.db2.gz AAYXEWJLWJMMMV-LFIBNONCSA-N 0 0 342.395 4.307 50 10 EICARN CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1 ZINC000007124917 564105118 /nfs/dbraw/zinc/10/51/18/564105118.db2.gz XOGKGCPHZNIJSB-UHFFFAOYSA-N 0 0 337.448 4.301 50 10 EICARN CCCOc1ccc(/C=C2/SC(N3CCCCCC3)=NC2=O)cc1 ZINC000002072235 564116899 /nfs/dbraw/zinc/11/68/99/564116899.db2.gz HBCNJRMMCMPHMP-SAPNQHFASA-N 0 0 344.480 4.322 50 10 EICARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000095470930 564141249 /nfs/dbraw/zinc/14/12/49/564141249.db2.gz DURUUDVALCSBHT-BOPFTXTBSA-N 0 0 325.799 4.367 50 10 EICARN COc1ccc(N(C)Cc2csc(-c3ccoc3)n2)cc1OC ZINC000095953662 564142401 /nfs/dbraw/zinc/14/24/01/564142401.db2.gz BBMVZFIMGRDTDH-UHFFFAOYSA-N 0 0 330.409 4.057 50 10 EICARN Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C)n1-c1ccccc1 ZINC000003193488 564155852 /nfs/dbraw/zinc/15/58/52/564155852.db2.gz PKRCADOWCMQZBJ-UHFFFAOYSA-N 0 0 337.263 4.406 50 10 EICARN CCO[C@@H](C)c1nc(C)c(C(=O)N[C@H](CC)c2ccccc2O)s1 ZINC000077006178 564176567 /nfs/dbraw/zinc/17/65/67/564176567.db2.gz APZXWCHFJXIJNO-GXTWGEPZSA-N 0 0 348.468 4.136 50 10 EICARN COc1cccc(C2=N[C@](C)(C(C)C)N[C@@H](c3ccccc3O)C2)c1 ZINC000004729832 210262910 /nfs/dbraw/zinc/26/29/10/210262910.db2.gz IWBQKXZUVIHQAZ-CTNGQTDRSA-N 0 0 338.451 4.297 50 10 EICARN CC(C)N1C(=O)/C(=C/c2ccccc2Br)SC1=S ZINC000004690076 210249154 /nfs/dbraw/zinc/24/91/54/210249154.db2.gz PTGJODGHRYBXPY-XFFZJAGNSA-N 0 0 342.283 4.059 50 10 EICARN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000097958247 219064846 /nfs/dbraw/zinc/06/48/46/219064846.db2.gz SLVQHDVHKFFUCN-YBEGLDIGSA-N 0 0 347.842 4.059 50 10 EICARN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 ZINC000004623398 210234396 /nfs/dbraw/zinc/23/43/96/210234396.db2.gz UWMDMCQMWLCEGN-GDLVEWKHSA-N 0 0 327.771 4.470 50 10 EICARN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)c1 ZINC000004623230 210233327 /nfs/dbraw/zinc/23/33/27/210233327.db2.gz INAHPGJHQHPLFB-UHFFFAOYSA-N 0 0 332.319 4.103 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000100040906 219088891 /nfs/dbraw/zinc/08/88/91/219088891.db2.gz RAFPITJPDDTFLH-XNTDXEJSSA-N 0 0 341.754 4.054 50 10 EICARN CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000100423162 219099215 /nfs/dbraw/zinc/09/92/15/219099215.db2.gz PXRZLHCQBPSZAN-AQTBWJFISA-N 0 0 338.386 4.110 50 10 EICARN CCCCc1ccc(N=CC2C(=O)OC3(CCCCC3)OC2=O)cc1 ZINC000100590826 219102127 /nfs/dbraw/zinc/10/21/27/219102127.db2.gz ZESPVQSIDLSOIN-UHFFFAOYSA-N 0 0 343.423 4.085 50 10 EICARN Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000004151773 210133426 /nfs/dbraw/zinc/13/34/26/210133426.db2.gz AJIUORFBXKPJOU-UHFFFAOYSA-N 0 0 341.366 4.023 50 10 EICARN Cc1cccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c1C ZINC000001804129 209795537 /nfs/dbraw/zinc/79/55/37/209795537.db2.gz UAQSMYZCVPWHRV-DHDCSXOGSA-N 0 0 326.446 4.104 50 10 EICARN COc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1O ZINC000000046081 209387787 /nfs/dbraw/zinc/38/77/87/209387787.db2.gz NMZZEIRNKVQSJV-UHFFFAOYSA-N 0 0 346.430 4.426 50 10 EICARN CC(C)N1C[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1=O ZINC000020109931 212102292 /nfs/dbraw/zinc/10/22/92/212102292.db2.gz PUFPJOYUFOPUSY-SFHVURJKSA-N 0 0 345.446 4.468 50 10 EICARN Cc1ccnc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1 ZINC000019851403 212076331 /nfs/dbraw/zinc/07/63/31/212076331.db2.gz IOQCYUYXGUSASM-FQEVSTJZSA-N 0 0 342.402 4.240 50 10 EICARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)C1 ZINC000019793078 212067714 /nfs/dbraw/zinc/06/77/14/212067714.db2.gz HFRMWZYFFSQPDE-HNNXBMFYSA-N 0 0 349.430 4.398 50 10 biogenic EICARN Cc1nc2sc3c(c2c(NCc2ccc(N(C)C)cc2)n1)CCC3 ZINC000018061256 211978665 /nfs/dbraw/zinc/97/86/65/211978665.db2.gz BXFSVENDUSQZNH-UHFFFAOYSA-N 0 0 338.480 4.167 50 10 EICARN C[C@@H]1Cc2cc(/C=C3\SC(=S)N(C4CCCC4)C3=O)ccc2O1 ZINC000016810382 211936249 /nfs/dbraw/zinc/93/62/49/211936249.db2.gz HSZVXVYOUBJQAX-FFCYNSPCSA-N 0 0 345.489 4.154 50 10 EICARN Cc1ncc(/C=C/C(=O)N(Cc2cscn2)c2ccccc2)s1 ZINC000078996523 217169988 /nfs/dbraw/zinc/16/99/88/217169988.db2.gz JPVRUNWMEUNDPO-BQYQJAHWSA-N 0 0 341.461 4.155 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000012379718 211361662 /nfs/dbraw/zinc/36/16/62/211361662.db2.gz AVXVXNKSLRNVSY-MBOZVWFJSA-N 0 0 349.390 4.380 50 10 EICARN [O-]c1ccc(-c2ncccn2)cc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000012279460 211333752 /nfs/dbraw/zinc/33/37/52/211333752.db2.gz VGHNTNXENJLXEU-UHFFFAOYSA-N 0 0 345.446 4.229 50 10 EICARN COc1ccc(OC)c(CNc2ccc3c(c2)ncn3C(C)(C)C)c1 ZINC000009526205 211096454 /nfs/dbraw/zinc/09/64/54/211096454.db2.gz WNSFRJHXEZMUQD-UHFFFAOYSA-N 0 0 339.439 4.421 50 10 EICARN COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000006468301 210636756 /nfs/dbraw/zinc/63/67/56/210636756.db2.gz FSPZVTJCMUFTQW-ABKXIKBNSA-N 0 0 344.436 4.016 50 10 EICARN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)cc1C ZINC000005336871 210443330 /nfs/dbraw/zinc/44/33/30/210443330.db2.gz IPXIPJXUQQBKJY-YBEGLDIGSA-N 0 0 341.798 4.073 50 10 EICARN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(OC)c1 ZINC000005060820 210379952 /nfs/dbraw/zinc/37/99/52/210379952.db2.gz XMKDSPXOFZHOJI-NTEUORMPSA-N 0 0 342.778 4.339 50 10 EICARN O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O ZINC000004867385 210307363 /nfs/dbraw/zinc/30/73/63/210307363.db2.gz MXARHCNPZVFDSB-QGZVFWFLSA-N 0 0 348.427 4.445 50 10 EICARN COc1ccc(O)c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000004864148 210304297 /nfs/dbraw/zinc/30/42/97/210304297.db2.gz BCUPNFOKCHETJI-OAQYLSRUSA-N 0 0 343.386 4.390 50 10 EICARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O ZINC000004807781 210282222 /nfs/dbraw/zinc/28/22/22/210282222.db2.gz FSRNJBKLLKZKNJ-FQEVSTJZSA-N 0 0 342.398 4.384 50 10 EICARN O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1C1CCCC1 ZINC000002533353 257927667 /nfs/dbraw/zinc/92/76/67/257927667.db2.gz WDBQMMUXSILDQN-YBEGLDIGSA-N 0 0 343.473 4.149 50 10 EICARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2O)cc1 ZINC000000183495 563254771 /nfs/dbraw/zinc/25/47/71/563254771.db2.gz SCOCCPOJFVHDMP-HXUWFJFHSA-N 0 0 346.386 4.172 50 10 EICARN COc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)cc1OC ZINC000000298558 563275435 /nfs/dbraw/zinc/27/54/35/563275435.db2.gz LQIXNZSBHVRAGK-ZROIWOOFSA-N 0 0 342.778 4.339 50 10 EICARN CCN(CC)c1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 ZINC000000353422 563290364 /nfs/dbraw/zinc/29/03/64/563290364.db2.gz RXAOAEUFYOTJHT-XMHGGMMESA-N 0 0 334.419 4.186 50 10 EICARN C[C@H]1CCC[N@H+](Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)C1 ZINC000000407890 563307355 /nfs/dbraw/zinc/30/73/55/563307355.db2.gz ABTUOYUETFJRLF-HNNXBMFYSA-N 0 0 349.430 4.398 50 10 biogenic EICARN CC(C)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001190021 563378354 /nfs/dbraw/zinc/37/83/54/563378354.db2.gz XULIWCNVQYYLBR-XFFZJAGNSA-N 0 0 342.283 4.059 50 10 EICARN COc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 ZINC000001063114 563372211 /nfs/dbraw/zinc/37/22/11/563372211.db2.gz RQTKNVWEMKEBAM-ZROIWOOFSA-N 0 0 331.418 4.002 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1C ZINC000001208985 563379146 /nfs/dbraw/zinc/37/91/46/563379146.db2.gz UWJFABRXHMSSSV-YBEGLDIGSA-N 0 0 341.457 4.415 50 10 EICARN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000001210796 563379667 /nfs/dbraw/zinc/37/96/67/563379667.db2.gz VILDIWRIHMNTOA-OVCLIPMQSA-N 0 0 346.839 4.414 50 10 EICARN O=C1C(=CNc2ccccc2)SC(=S)N1c1ccc(F)cc1 ZINC000001442620 563389573 /nfs/dbraw/zinc/38/95/73/563389573.db2.gz OQHOZFFEVCMYPS-UVTDQMKNSA-N 0 0 330.409 4.144 50 10 EICARN CN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S ZINC000001446604 563389636 /nfs/dbraw/zinc/38/96/36/563389636.db2.gz FRFHIEUCMCZYBY-PTNGSMBKSA-N 0 0 327.430 4.310 50 10 EICARN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000002302241 563428810 /nfs/dbraw/zinc/42/88/10/563428810.db2.gz POKVGKJDASKTQX-NWFCWYBLSA-N 0 0 334.510 4.499 50 10 EICARN CC(C)COc1ccc(C=C2SC(=S)NC2=O)c2ccccc12 ZINC000013371810 563697040 /nfs/dbraw/zinc/69/70/40/563697040.db2.gz RUWRGCBVNSGDSC-SXGWCWSVSA-N 0 0 343.473 4.363 50 10 EICARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000013804260 563724178 /nfs/dbraw/zinc/72/41/78/563724178.db2.gz GZRCPYBYMUWKRA-GQVHDAKQSA-N 0 0 326.446 4.044 50 10 EICARN N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2Sc3ccccc3N21 ZINC000013815254 563724914 /nfs/dbraw/zinc/72/49/14/563724914.db2.gz WHUYVCGYTWPOJK-LWIFSIRZSA-N 0 0 344.399 4.037 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000015015235 563772194 /nfs/dbraw/zinc/77/21/94/563772194.db2.gz RFYYOTQIOILUHQ-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN COc1cccc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)c1 ZINC000015746304 563791863 /nfs/dbraw/zinc/79/18/63/563791863.db2.gz JIQLURWFNALRDH-GZTJUZNOSA-N 0 0 338.432 4.394 50 10 EICARN Cc1cc(C(=O)N2CCc3ccccc32)c(C)n1-c1ccccc1F ZINC000032906143 563792650 /nfs/dbraw/zinc/79/26/50/563792650.db2.gz PQYBXCLOUXQIHR-UHFFFAOYSA-N 0 0 334.394 4.436 50 10 EICARN CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000017360293 563843728 /nfs/dbraw/zinc/84/37/28/563843728.db2.gz DIGSBNOZLNNDAQ-WZMONFQBSA-N 0 0 334.510 4.499 50 10 EICARN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2c(s1)CCC2 ZINC000058358222 563943691 /nfs/dbraw/zinc/94/36/91/563943691.db2.gz KEUGZPIMTIFQAS-UHFFFAOYSA-N 0 0 340.492 4.157 50 10 EICARN CCCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O ZINC000000092414 563996556 /nfs/dbraw/zinc/99/65/56/563996556.db2.gz NULFGCQPRNHAOM-MRXNPFEDSA-N 0 0 344.798 4.193 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1 ZINC000013123115 563996601 /nfs/dbraw/zinc/99/66/01/563996601.db2.gz QWMMCZJIYDUMIN-GOSISDBHSA-N 0 0 348.427 4.445 50 10 EICARN COc1cccc(CNc2ccc3c(c2)ncn3C(C)C)c1OC ZINC000002434141 564002131 /nfs/dbraw/zinc/00/21/31/564002131.db2.gz DYDVHLCNSMXGGH-UHFFFAOYSA-N 0 0 325.412 4.247 50 10 EICARN Oc1ccc(Br)cc1CNc1cccc2cccnc21 ZINC000000463693 564012686 /nfs/dbraw/zinc/01/26/86/564012686.db2.gz HRODNMNKFBNWQE-UHFFFAOYSA-N 0 0 329.197 4.315 50 10 EICARN COc1cccc(-c2c3c(nc(C)c2C(C)=O)-c2ccccc2C3=O)c1 ZINC000000486165 564017115 /nfs/dbraw/zinc/01/71/15/564017115.db2.gz SBCVTTKZPDJLAJ-UHFFFAOYSA-N 0 0 343.382 4.480 50 10 biogenic EICARN CCOc1cccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c1O ZINC000000818132 564035294 /nfs/dbraw/zinc/03/52/94/564035294.db2.gz XVWTYTKKFQIUTM-HXUWFJFHSA-N 0 0 335.407 4.244 50 10 EICARN CCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)SC1=S ZINC000001203900 564056423 /nfs/dbraw/zinc/05/64/23/564056423.db2.gz RJWGEPNCLMQGOF-GDNBJRDFSA-N 0 0 329.446 4.070 50 10 EICARN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 ZINC000001421780 564066681 /nfs/dbraw/zinc/06/66/81/564066681.db2.gz HTEKBKFIMNBKSX-UHFFFAOYSA-N 0 0 332.319 4.103 50 10 EICARN CCC(=O)c1c(Cc2ccccc2)oc2ccc([O-])c(C[NH+](C)C)c21 ZINC000075279829 564081471 /nfs/dbraw/zinc/08/14/71/564081471.db2.gz SPNNYADLTQNQIV-UHFFFAOYSA-N 0 0 337.419 4.384 50 10 EICARN COc1ccc(N2CCN(c3cc(C)c4ccc(C)cc4n3)CC2)cc1 ZINC000006826708 564098977 /nfs/dbraw/zinc/09/89/77/564098977.db2.gz YBRVBNDJOVPVFV-UHFFFAOYSA-N 0 0 347.462 4.187 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c(C)c1 ZINC000002337236 564132388 /nfs/dbraw/zinc/13/23/88/564132388.db2.gz WMWMTAKYRJGWJF-DHDCSXOGSA-N 0 0 326.446 4.104 50 10 EICARN CN(C)c1ccc([C@@H]2SCCN2C(=O)Nc2ccc(F)cc2)cc1 ZINC000028232380 564150786 /nfs/dbraw/zinc/15/07/86/564150786.db2.gz PPYDRXXALLUIOH-KRWDZBQOSA-N 0 0 345.443 4.171 50 10 EICARN CN(C)c1ccc(/C=C/c2nc3n(n2)C=COc2ccccc2-3)cc1 ZINC000008036224 564162300 /nfs/dbraw/zinc/16/23/00/564162300.db2.gz FMKVTIGLTWWTSI-FMIVXFBMSA-N 0 0 330.391 4.002 50 10 EICARN CCO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](CC)c2ccccc2O)s1 ZINC000077006171 564176599 /nfs/dbraw/zinc/17/65/99/564176599.db2.gz APZXWCHFJXIJNO-JSGCOSHPSA-N 0 0 348.468 4.136 50 10 EICARN CCC[C@@H]1N=C(c2ccc(OCC)cc2)C[C@@H](c2ccccc2O)N1 ZINC000004729433 210263317 /nfs/dbraw/zinc/26/33/17/210263317.db2.gz NLERMTIZVJICSY-PZJWPPBQSA-N 0 0 338.451 4.441 50 10 EICARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc1 ZINC000004714162 210255739 /nfs/dbraw/zinc/25/57/39/210255739.db2.gz YMVUKSQPEIRBPV-ZQIUZPCESA-N 0 0 337.335 4.330 50 10 EICARN Fc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004686725 210247754 /nfs/dbraw/zinc/24/77/54/210247754.db2.gz SFUWBWIEUIDZSW-UHFFFAOYSA-N 0 0 335.338 4.245 50 10 EICARN CC[NH+](CC)Cc1c([O-])ccc2c(C)c(-c3ccccc3)c(=O)oc21 ZINC000004353830 210177951 /nfs/dbraw/zinc/17/79/51/210177951.db2.gz WLAHIVWUVMFBDE-UHFFFAOYSA-N 0 0 337.419 4.316 50 10 EICARN N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC=C(c3ccccc3)N21 ZINC000004301921 210163745 /nfs/dbraw/zinc/16/37/45/210163745.db2.gz PQZSJUVUBXETKI-SRRKIXIOSA-N 0 0 349.390 4.130 50 10 EICARN Cc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000003909820 210091987 /nfs/dbraw/zinc/09/19/87/210091987.db2.gz DRRJVHZYIASMAZ-UHFFFAOYSA-N 0 0 344.374 4.177 50 10 EICARN C[C@@H](Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1ccccc1 ZINC000003902978 210088588 /nfs/dbraw/zinc/08/85/88/210088588.db2.gz CRMQYHQSQILFOB-PILJQMSFSA-N 0 0 341.457 4.315 50 10 EICARN COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1 ZINC000002252650 209835344 /nfs/dbraw/zinc/83/53/44/209835344.db2.gz KNSDBMPGBJVIED-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN O=C(Nc1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000040150517 213273445 /nfs/dbraw/zinc/27/34/45/213273445.db2.gz JCJUGVQSJMPIOS-UHFFFAOYSA-N 0 0 340.354 4.359 50 10 EICARN COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Cl ZINC000000382047 209560697 /nfs/dbraw/zinc/56/06/97/209560697.db2.gz LZASHNHZYWCKMU-GDNBJRDFSA-N 0 0 326.783 4.155 50 10 EICARN CCOc1cccc(CNc2ccc(Br)cc2C)c1O ZINC000019905604 212081957 /nfs/dbraw/zinc/08/19/57/212081957.db2.gz SXMAVVHSIMKHIN-UHFFFAOYSA-N 0 0 336.229 4.474 50 10 EICARN COc1cc(N(C)C)c(OC)cc1/C=C\c1ccnc2ccccc12 ZINC000017062667 211947328 /nfs/dbraw/zinc/94/73/28/211947328.db2.gz WNRMQAWGIWTTME-KTKRTIGZSA-N 0 0 334.419 4.488 50 10 EICARN Cc1ccc(O)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1 ZINC000013894693 211655347 /nfs/dbraw/zinc/65/53/47/211655347.db2.gz LUWNXFPFLQBZEG-XNTDXEJSSA-N 0 0 327.430 4.106 50 10 EICARN O=C1/C(=C/c2cccc(O)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000013533314 211573080 /nfs/dbraw/zinc/57/30/80/211573080.db2.gz UVXOAMFHPRTWCV-ZSOIEALJSA-N 0 0 347.848 4.451 50 10 EICARN O=C1N=C(N2CCCC2)S/C1=C\c1c(Cl)cccc1Cl ZINC000012437335 211382370 /nfs/dbraw/zinc/38/23/70/211382370.db2.gz JUILRRAOVGCNRV-WQLSENKSSA-N 0 0 327.236 4.060 50 10 EICARN Cc1cc(CNC(=O)NC2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000009228774 211054407 /nfs/dbraw/zinc/05/44/07/211054407.db2.gz CGKFYOVCSAMAMA-UHFFFAOYSA-N 0 0 325.456 4.144 50 10 EICARN Cc1cc(CNC(=O)NC2CCCC2)c(C)n1-c1cccc(Cl)c1 ZINC000009228817 211055291 /nfs/dbraw/zinc/05/52/91/211055291.db2.gz OTXHGMMUSDWHLC-UHFFFAOYSA-N 0 0 345.874 4.489 50 10 EICARN CC(C)(C)c1cnc(SCc2nc(C(F)(F)F)cc(=O)[nH]2)s1 ZINC000095441043 218385123 /nfs/dbraw/zinc/38/51/23/218385123.db2.gz ZBSUFBFQQBPOPT-UHFFFAOYSA-N 0 0 349.403 4.247 50 10 EICARN CC(=O)OCC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C ZINC000006977548 210751051 /nfs/dbraw/zinc/75/10/51/210751051.db2.gz OKYBRCJZXOOHGF-UHFFFAOYSA-N 0 0 340.206 4.147 50 10 EICARN Cc1cccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)c1C ZINC000006203721 210600394 /nfs/dbraw/zinc/60/03/94/210600394.db2.gz CPGQCJQJTTUUSM-MHWRWJLKSA-N 0 0 341.457 4.415 50 10 EICARN CNc1c(Cl)c(Cl)c(Cl)c2c1C(=O)c1ccccc1C2=O ZINC000004989715 210350897 /nfs/dbraw/zinc/35/08/97/210350897.db2.gz WYIKYLNOHKFKEA-UHFFFAOYSA-N 0 0 340.593 4.464 50 10 EICARN O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000004819170 210286372 /nfs/dbraw/zinc/28/63/72/210286372.db2.gz FMYFKMXVIFKPQQ-UKTHLTGXSA-N 0 0 332.837 4.141 50 10 EICARN Cc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)oc1C ZINC000040158351 132399316 /nfs/dbraw/zinc/39/93/16/132399316.db2.gz UMCKRHQMEZRCQY-UHFFFAOYSA-N 0 0 326.318 4.143 50 10 EICARN O=C1c2ccccc2C(=O)C1(Nc1cccc(F)c1)c1ccccc1 ZINC000000075993 563216864 /nfs/dbraw/zinc/21/68/64/563216864.db2.gz UFRMDALLNMCXDV-UHFFFAOYSA-N 0 0 331.346 4.212 50 10 EICARN CCc1cc2c(=O)c(-c3ccccc3)c(C)oc2c(C[NH+](C)C)c1[O-] ZINC000000396040 563304807 /nfs/dbraw/zinc/30/48/07/563304807.db2.gz YDARMKXGMVUJBZ-UHFFFAOYSA-N 0 0 337.419 4.098 50 10 EICARN COc1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 ZINC000001188051 563378173 /nfs/dbraw/zinc/37/81/73/563378173.db2.gz MUYPLYGHIRAWMV-GDNBJRDFSA-N 0 0 327.430 4.101 50 10 EICARN CCN(CC)c1ccc(/C=C2/SC(=S)N(C(C)C)C2=O)cc1 ZINC000001192040 563378377 /nfs/dbraw/zinc/37/83/77/563378377.db2.gz XURJRYMLEFDDCJ-RVDMUPIBSA-N 0 0 334.510 4.142 50 10 EICARN CCc1ccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)cc1 ZINC000001211840 563379621 /nfs/dbraw/zinc/37/96/21/563379621.db2.gz YAHKNGWXAVVUBR-MHWRWJLKSA-N 0 0 342.489 4.145 50 10 EICARN O=C1c2ccccc2-c2nnc(-c3ccc(Br)cc3)cc21 ZINC000001382382 563384643 /nfs/dbraw/zinc/38/46/43/563384643.db2.gz QHYRELLXJDJBHO-UHFFFAOYSA-N 0 0 337.176 4.118 50 10 EICARN COc1cccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)c1 ZINC000001806705 563412847 /nfs/dbraw/zinc/41/28/47/563412847.db2.gz MYGGONYAHOGZHX-ZROIWOOFSA-N 0 0 331.418 4.002 50 10 EICARN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(N(C)C)cc1 ZINC000006533880 563571703 /nfs/dbraw/zinc/57/17/03/563571703.db2.gz OSJQONNGPBTUFA-MOSHPQCFSA-N 0 0 348.450 4.088 50 10 EICARN CN(C)c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000013616051 563703959 /nfs/dbraw/zinc/70/39/59/563703959.db2.gz LFJMMSRNBPHJMF-VBKFSLOCSA-N 0 0 346.521 4.287 50 10 EICARN Cc1ccc(N2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000013739399 563720042 /nfs/dbraw/zinc/72/00/42/563720042.db2.gz DEMFDSUOHMJNBD-SFQUDFHCSA-N 0 0 338.432 4.302 50 10 EICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000015218825 563780445 /nfs/dbraw/zinc/78/04/45/563780445.db2.gz LBILVRNXTYBUGB-SXGWCWSVSA-N 0 0 326.421 4.035 50 10 EICARN CC(C)c1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000016790835 563824106 /nfs/dbraw/zinc/82/41/06/563824106.db2.gz AENIMYBLSXSYQQ-HEUOVEHFSA-N 0 0 347.505 4.190 50 10 EICARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccccc1F ZINC000027533655 563896335 /nfs/dbraw/zinc/89/63/35/563896335.db2.gz BNRCSUXICFNOHN-HNBAAQFOSA-N 0 0 331.393 4.381 50 10 EICARN Cc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1 ZINC000028288078 563902041 /nfs/dbraw/zinc/90/20/41/563902041.db2.gz YSNZAHKFWSETPQ-UHFFFAOYSA-N 0 0 345.446 4.303 50 10 EICARN COc1cc(/C=C2/SC(c3ccccc3)=NC2=O)cc(Cl)c1O ZINC000000115745 563986692 /nfs/dbraw/zinc/98/66/92/563986692.db2.gz BTIAAMWQYVYEFI-NTEUORMPSA-N 0 0 345.807 4.115 50 10 EICARN CCCC(=O)N[C@@H](c1cccs1)c1ccc2cccnc2c1O ZINC000000087166 563996549 /nfs/dbraw/zinc/99/65/49/563996549.db2.gz HQMZBXRQASJEMD-QGZVFWFLSA-N 0 0 326.421 4.008 50 10 EICARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000000446554 563999617 /nfs/dbraw/zinc/99/96/17/563999617.db2.gz GEYJLHJVFRPYTP-UKTHLTGXSA-N 0 0 327.723 4.230 50 10 EICARN Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(F)cc1 ZINC000005263706 564001698 /nfs/dbraw/zinc/00/16/98/564001698.db2.gz COZQUGNQCHKHCD-UHFFFAOYSA-N 0 0 326.396 4.201 50 10 EICARN O=C(Nc1ccccc1)c1ccc2c3c1noc3-c1ccccc1C2=O ZINC000000501600 564019089 /nfs/dbraw/zinc/01/90/89/564019089.db2.gz WLMNODFMTOHMAL-UHFFFAOYSA-N 0 0 340.338 4.292 50 10 EICARN Cc1cccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1 ZINC000000509607 564019888 /nfs/dbraw/zinc/01/98/88/564019888.db2.gz PXMWUIPUYJWFOO-ALGNWURXSA-N 0 0 345.427 4.299 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\C1=Cc2ccccc2O[C@@H]1C ZINC000000570709 564023716 /nfs/dbraw/zinc/02/37/16/564023716.db2.gz ZHWFTWODSVKPGO-JPVKTXQWSA-N 0 0 330.387 4.200 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1C ZINC000044826970 564027217 /nfs/dbraw/zinc/02/72/17/564027217.db2.gz XXEXBCXZLGLNSN-LFIBNONCSA-N 0 0 325.799 4.367 50 10 EICARN CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 ZINC000005797933 564052222 /nfs/dbraw/zinc/05/22/22/564052222.db2.gz DTMYRAOASHMAAV-FQEVSTJZSA-N 0 0 347.418 4.112 50 10 EICARN O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccccc1F ZINC000001435234 564068710 /nfs/dbraw/zinc/06/87/10/564068710.db2.gz PABFJWBDDSNTST-XNTDXEJSSA-N 0 0 344.436 4.097 50 10 EICARN O=[N+]([O-])c1ccc2c(c1)CCCN2Cc1c(O)ccc2ccccc21 ZINC000084595043 564068936 /nfs/dbraw/zinc/06/89/36/564068936.db2.gz XGRVINJISGRKBP-UHFFFAOYSA-N 0 0 334.375 4.406 50 10 EICARN CC1=NN(c2ccccc2)C(=S)C1=CN=c1[nH]c2ccccc2n1C ZINC000075279998 564081465 /nfs/dbraw/zinc/08/14/65/564081465.db2.gz CRHZXRBEVVIYFE-QINSGFPZSA-N 0 0 347.447 4.093 50 10 EICARN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c(O)c1 ZINC000006426358 564086139 /nfs/dbraw/zinc/08/61/39/564086139.db2.gz PTUFJQVHTKXFLN-QFYYESIMSA-N 0 0 328.437 4.316 50 10 EICARN O=C1/C(=C/c2ccccc2F)SC(=S)N1Cc1ccccc1 ZINC000001786969 564087611 /nfs/dbraw/zinc/08/76/11/564087611.db2.gz QMMYIWYMKRDXOW-GDNBJRDFSA-N 0 0 329.421 4.227 50 10 EICARN Cc1cc(C(=O)CSc2nnc(C)s2)c(C)n1-c1ccccc1 ZINC000006534248 564091673 /nfs/dbraw/zinc/09/16/73/564091673.db2.gz VUYNMGXUYHXSGL-UHFFFAOYSA-N 0 0 343.477 4.229 50 10 EICARN COc1cccc(C(=O)Oc2cccc(Oc3ccc(N)cc3)c2)c1 ZINC000006713646 564096290 /nfs/dbraw/zinc/09/62/90/564096290.db2.gz MCWMFRLKPZTAJH-UHFFFAOYSA-N 0 0 335.359 4.289 50 10 EICARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccncc1 ZINC000006721620 564096350 /nfs/dbraw/zinc/09/63/50/564096350.db2.gz PFAGYMBTGNNLCN-NQIIRXRSSA-N 0 0 343.386 4.030 50 10 EICARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)c1 ZINC000169683018 564098439 /nfs/dbraw/zinc/09/84/39/564098439.db2.gz LTMGPJMANGFVQM-KEYYUXOJSA-N 0 0 337.335 4.330 50 10 EICARN Cc1cc2c(n1-c1ccc(C(=O)NCc3ccco3)cc1)CC[C@H](C)C2 ZINC000006877936 564100417 /nfs/dbraw/zinc/10/04/17/564100417.db2.gz RLSOQXGMSDLUTR-HNNXBMFYSA-N 0 0 348.446 4.434 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)s1 ZINC000013120244 564136028 /nfs/dbraw/zinc/13/60/28/564136028.db2.gz OAJKHSVQAPNONI-LCYFTJDESA-N 0 0 347.237 4.317 50 10 EICARN Cc1cc(C(=O)CN2CCC[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000003257454 564156675 /nfs/dbraw/zinc/15/66/75/564156675.db2.gz YROVKHWEZGOCDG-CQSZACIVSA-N 0 0 328.431 4.148 50 10 EICARN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/c2ccccc2N(C)C1=O ZINC000015912165 1035458376 /nfs/dbraw/zinc/45/83/76/1035458376.db2.gz FGVDLFNOZOXAOP-ATVHPVEESA-N 0 0 349.821 4.351 50 10 EICARN C[NH+](C)Cc1c2c(ccc1[O-])occ2C(=O)c1ccc(Cl)cc1 ZINC000004705282 210255241 /nfs/dbraw/zinc/25/52/41/210255241.db2.gz MDJXCRQVZHPYTB-UHFFFAOYSA-N 0 0 329.783 4.084 50 10 EICARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004697090 210250494 /nfs/dbraw/zinc/25/04/94/210250494.db2.gz ZJRRXSHPDQPRCB-DAYGRLMNSA-N 0 0 337.335 4.330 50 10 EICARN Nc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(C(F)(F)F)c1 ZINC000004666065 210241724 /nfs/dbraw/zinc/24/17/24/210241724.db2.gz XSPZFEOWHQYMHX-GHVJWSGMSA-N 0 0 346.316 4.471 50 10 EICARN CC1=NN(c2ccccc2)C(=S)C1=CNc1cccc([N+](=O)[O-])c1 ZINC000100515395 219101077 /nfs/dbraw/zinc/10/10/77/219101077.db2.gz ZKRIPYLMILHLKN-WJDWOHSUSA-N 0 0 338.392 4.114 50 10 EICARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1cccc(F)c1 ZINC000004387525 210185966 /nfs/dbraw/zinc/18/59/66/210185966.db2.gz WSPDSCWGDDRJJX-NTOUICHMSA-N 0 0 331.393 4.381 50 10 EICARN CCOc1ccc(OCC)c(NCc2cccc(OCC)c2O)c1 ZINC000044836377 213649572 /nfs/dbraw/zinc/64/95/72/213649572.db2.gz ZATOABXUBXRFQO-UHFFFAOYSA-N 0 0 331.412 4.200 50 10 EICARN CC(=O)c1cccc(N2C(=O)C(=Cc3ccc(C)o3)SC2=S)c1 ZINC000002702100 209891783 /nfs/dbraw/zinc/89/17/83/209891783.db2.gz QQVHHCVLIZVLEV-OQLLNIDSSA-N 0 0 343.429 4.196 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3ccc(C)s3)SC2=S)cc1 ZINC000001147300 209713748 /nfs/dbraw/zinc/71/37/48/209713748.db2.gz HNFUEEQUOGWBPR-NTEUORMPSA-N 0 0 347.486 4.471 50 10 EICARN C[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000036489935 213099359 /nfs/dbraw/zinc/09/93/59/213099359.db2.gz XRESISWWGXCJAW-CFCCAZDESA-N 0 0 331.415 4.407 50 10 EICARN COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2ccccn21 ZINC000035616070 213043182 /nfs/dbraw/zinc/04/31/82/213043182.db2.gz LWNJPCCPWCFUKM-UHFFFAOYSA-N 0 0 333.347 4.125 50 10 EICARN C[C@H](NC(=O)Cc1cccs1)c1ccc(N2CCCCC2)cc1 ZINC000072117543 216012850 /nfs/dbraw/zinc/01/28/50/216012850.db2.gz BWUKSEHBQJTUFH-HNNXBMFYSA-N 0 0 328.481 4.158 50 10 EICARN CCOc1cccc(CNc2ccc(Br)cc2F)c1O ZINC000019907996 212081526 /nfs/dbraw/zinc/08/15/26/212081526.db2.gz JPJRJKXNZVVZBL-UHFFFAOYSA-N 0 0 340.192 4.305 50 10 EICARN Cc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 ZINC000013800539 211640689 /nfs/dbraw/zinc/64/06/89/211640689.db2.gz GHEYFNKLSKVAKS-GDNBJRDFSA-N 0 0 327.430 4.106 50 10 EICARN Cn1cccc1/C=C1\SC(=S)N(c2ccccc2Cl)C1=O ZINC000013768620 211635385 /nfs/dbraw/zinc/63/53/85/211635385.db2.gz IVVVAWLBEOYUNP-LCYFTJDESA-N 0 0 334.853 4.084 50 10 EICARN CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000013563467 211579788 /nfs/dbraw/zinc/57/97/88/211579788.db2.gz LAIQSHPBBDZDBR-HMMYKYKNSA-N 0 0 333.435 4.339 50 10 EICARN CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccco1 ZINC000011692700 211235125 /nfs/dbraw/zinc/23/51/25/211235125.db2.gz MLMTWWKOUMWZTQ-MRXNPFEDSA-N 0 0 326.396 4.099 50 10 EICARN O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(Oc3ccccc3)c21 ZINC000004989906 210350972 /nfs/dbraw/zinc/35/09/72/210350972.db2.gz WGJZOKGIPCBXQK-UHFFFAOYSA-N 0 0 345.310 4.163 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000004860785 210304843 /nfs/dbraw/zinc/30/48/43/210304843.db2.gz UCZAMHAAOWUNNU-RVDMUPIBSA-N 0 0 327.430 4.101 50 10 EICARN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000007128744 258052642 /nfs/dbraw/zinc/05/26/42/258052642.db2.gz FCYDDPDWXFGFQA-UHFFFAOYSA-N 0 0 337.448 4.126 50 10 EICARN Cc1ccc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc1Cl ZINC000013894731 563728736 /nfs/dbraw/zinc/72/87/36/563728736.db2.gz BPMQJIVJFYOCHP-QPEQYQDCSA-N 0 0 335.837 4.397 50 10 EICARN CCOC(=O)c1c(NCc2ccc(C)cc2O)sc2c1CCC2 ZINC000000348530 563288721 /nfs/dbraw/zinc/28/87/21/563288721.db2.gz CXCIJOGJMMUFJB-UHFFFAOYSA-N 0 0 331.437 4.040 50 10 EICARN CC1=Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1 ZINC000000613982 563356660 /nfs/dbraw/zinc/35/66/60/563356660.db2.gz BKIZBQWFEVCKTJ-UHFFFAOYSA-N 0 0 334.404 4.273 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1C ZINC000001002942 563367941 /nfs/dbraw/zinc/36/79/41/563367941.db2.gz MSXSRPAOTCXJRI-YBEGLDIGSA-N 0 0 341.457 4.415 50 10 EICARN CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000001013935 563368672 /nfs/dbraw/zinc/36/86/72/563368672.db2.gz FLVYDMJWDZXDFE-JYRVWZFOSA-N 0 0 335.837 4.431 50 10 EICARN COc1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000001227271 563380388 /nfs/dbraw/zinc/38/03/88/563380388.db2.gz UCZAMHAAOWUNNU-PTNGSMBKSA-N 0 0 327.430 4.101 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000001227593 563380398 /nfs/dbraw/zinc/38/03/98/563380398.db2.gz CYLHQVFXMQSBAC-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN COCCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S ZINC000002682698 563445877 /nfs/dbraw/zinc/44/58/77/563445877.db2.gz FANOQXHAOLEVFV-VBKFSLOCSA-N 0 0 343.473 4.078 50 10 EICARN O=C1c2cccc(Cl)c2C(=O)c2c1cccc2N1CCCCC1 ZINC000004819164 563512093 /nfs/dbraw/zinc/51/20/93/563512093.db2.gz DMRHGLNERFXOKQ-UHFFFAOYSA-N 0 0 325.795 4.106 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000005283597 563525306 /nfs/dbraw/zinc/52/53/06/563525306.db2.gz WPOIVMFGQINIKM-UWVAXJGDSA-N 0 0 349.390 4.380 50 10 EICARN O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(Cl)cc1 ZINC000008642622 563633899 /nfs/dbraw/zinc/63/38/99/563633899.db2.gz MDVWZFYISVFTBU-LCYFTJDESA-N 0 0 332.837 4.141 50 10 EICARN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000013123095 563689258 /nfs/dbraw/zinc/68/92/58/563689258.db2.gz XLFXQHPJWVECAI-CMHHUMAZSA-N 0 0 326.446 4.044 50 10 EICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccccc1 ZINC000025085675 563880854 /nfs/dbraw/zinc/88/08/54/563880854.db2.gz ADYYAWIYPKKNDX-UHFFFAOYSA-N 0 0 337.467 4.019 50 10 EICARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2O)cc1 ZINC000000104506 563986409 /nfs/dbraw/zinc/98/64/09/563986409.db2.gz BALQQOSBLXPMAJ-FQEVSTJZSA-N 0 0 330.387 4.472 50 10 EICARN CCc1cc2c(-c3ccccc3)cc(=O)oc2c(C[NH+]2CCCC2)c1[O-] ZINC000000406879 564000178 /nfs/dbraw/zinc/00/01/78/564000178.db2.gz NZYIMYYVGKUQJI-UHFFFAOYSA-N 0 0 349.430 4.324 50 10 EICARN CCCC(=O)N[C@H](c1cccs1)c1ccc2cccnc2c1O ZINC000002470668 564003947 /nfs/dbraw/zinc/00/39/47/564003947.db2.gz HQMZBXRQASJEMD-KRWDZBQOSA-N 0 0 326.421 4.008 50 10 EICARN CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001194603 564012998 /nfs/dbraw/zinc/01/29/98/564012998.db2.gz WGQSKIXRBSMGNW-WJDWOHSUSA-N 0 0 341.457 4.097 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CN=c1[nH]c2ccccc2s1 ZINC000102570061 564020364 /nfs/dbraw/zinc/02/03/64/564020364.db2.gz FFDHAIULLLLAFF-SDNWHVSQSA-N 0 0 334.404 4.015 50 10 EICARN CCOC(=O)c1sc2nc(CC(C)C)c3c(c2c1N)CCCC3 ZINC000000545710 564022712 /nfs/dbraw/zinc/02/27/12/564022712.db2.gz NDKKOLUGUTZUOU-UHFFFAOYSA-N 0 0 332.469 4.133 50 10 EICARN Cc1cc(C(=O)Nc2scnc2C)c(C)n1-c1ccccc1C ZINC000225475764 564047117 /nfs/dbraw/zinc/04/71/17/564047117.db2.gz CDJWLLDWCQABPZ-UHFFFAOYSA-N 0 0 325.437 4.420 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 ZINC000001086523 564054317 /nfs/dbraw/zinc/05/43/17/564054317.db2.gz QSAZCUBNGCJWPS-LFIBNONCSA-N 0 0 341.457 4.409 50 10 EICARN CCCC[N@H+](C)Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC000001782047 564090600 /nfs/dbraw/zinc/09/06/00/564090600.db2.gz RDOOISBDYPOMMW-UHFFFAOYSA-N 0 0 337.419 4.398 50 10 biogenic EICARN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000006545426 564091918 /nfs/dbraw/zinc/09/19/18/564091918.db2.gz GZRCPYBYMUWKRA-XBUHWIKASA-N 0 0 326.446 4.044 50 10 EICARN CCN(CC)c1ccc([C@H]2Nc3ccccc3-c3cc(C)nn32)c(O)c1 ZINC000006569923 564092159 /nfs/dbraw/zinc/09/21/59/564092159.db2.gz XQUBUAPAOAEPFQ-NRFANRHFSA-N 0 0 348.450 4.383 50 10 EICARN CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)OC)c(N)c3cc2C1 ZINC000013579079 564111803 /nfs/dbraw/zinc/11/18/03/564111803.db2.gz BFZXCCXOKPJFMI-LLVKDONJSA-N 0 0 332.469 4.206 50 10 EICARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC[C@H](C)C1 ZINC000002310497 564132203 /nfs/dbraw/zinc/13/22/03/564132203.db2.gz HNRCFHAUJIZLSQ-BMQZVHBQSA-N 0 0 332.379 4.214 50 10 EICARN C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C1 ZINC000096346679 564146901 /nfs/dbraw/zinc/14/69/01/564146901.db2.gz KZGRKOGLIREOHW-FKVCUQLRSA-N 0 0 326.874 4.104 50 10 EICARN COc1cc2c(cc1NCc1nnc(C3CC3)[nH]1)oc1ccccc12 ZINC000097164978 564149482 /nfs/dbraw/zinc/14/94/82/564149482.db2.gz XBMMZJOOQONUKG-UHFFFAOYSA-N 0 0 334.379 4.202 50 10 EICARN CCCCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000002250700 568422361 /nfs/dbraw/zinc/42/23/61/568422361.db2.gz TZESIZALDQQFEC-UHFFFAOYSA-N 0 0 326.440 4.322 50 10 EICARN COc1cc(OC)cc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)c1 ZINC000004686773 210247287 /nfs/dbraw/zinc/24/72/87/210247287.db2.gz BTFURYCOOCNAFW-UHFFFAOYSA-N 0 0 347.374 4.212 50 10 EICARN Cc1cc([O-])c(C[NH+]2CCC(C)CC2)c2oc(=O)c3ccccc3c12 ZINC000004540319 210216352 /nfs/dbraw/zinc/21/63/52/210216352.db2.gz VQBCPPRTWOGYCD-UHFFFAOYSA-N 0 0 337.419 4.192 50 10 EICARN Cc1ccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000003909822 210092821 /nfs/dbraw/zinc/09/28/21/210092821.db2.gz CUZANTKMAMMNOB-UHFFFAOYSA-N 0 0 333.347 4.375 50 10 EICARN CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O ZINC000003871891 210082736 /nfs/dbraw/zinc/08/27/36/210082736.db2.gz XUSYGBPHQBWGAD-PJSUUKDQSA-N 0 0 330.424 4.287 50 10 endogenous,world EICARN COC(=O)c1ccc([C@@H]2Nc3ccc(OC)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000003636257 210070490 /nfs/dbraw/zinc/07/04/90/210070490.db2.gz GADQDIUUTSVNQA-UWVAXJGDSA-N 0 0 335.403 4.308 50 10 EICARN Cc1ccc(C[C@@H]2SC(=S)N(c3ccccc3)C2=O)cc1C ZINC000003416180 210033367 /nfs/dbraw/zinc/03/33/67/210033367.db2.gz HDWKANVNGASVDD-INIZCTEOSA-N 0 0 327.474 4.279 50 10 EICARN Cc1ccc(C[C@H]2SC(=S)N(c3ccccc3)C2=O)cc1C ZINC000003416184 210032507 /nfs/dbraw/zinc/03/25/07/210032507.db2.gz HDWKANVNGASVDD-MRXNPFEDSA-N 0 0 327.474 4.279 50 10 EICARN CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000003034729 209955936 /nfs/dbraw/zinc/95/59/36/209955936.db2.gz OXDLZMIEOHHHHD-FOWTUZBSSA-N 0 0 341.457 4.491 50 10 EICARN COc1ccccc1N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001009737 209700651 /nfs/dbraw/zinc/70/06/51/209700651.db2.gz VNNHFTNMQITAFU-PTNGSMBKSA-N 0 0 327.430 4.101 50 10 EICARN COc1ccc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)cc1 ZINC000035644509 213044299 /nfs/dbraw/zinc/04/42/99/213044299.db2.gz LJJOIVLKNXNBJT-GZTJUZNOSA-N 0 0 338.432 4.394 50 10 EICARN Cc1cc2oc(=O)cc(-c3ccccc3)c2c([O-])c1C[NH+]1CCCCC1 ZINC000000045164 209388575 /nfs/dbraw/zinc/38/85/75/209388575.db2.gz JUGWLHHBCHTWGR-UHFFFAOYSA-N 0 0 349.430 4.460 50 10 EICARN CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1CCCC[C@@H]1CC ZINC000020323939 212119858 /nfs/dbraw/zinc/11/98/58/212119858.db2.gz IGAOLRKTALBPMO-ZDUSSCGKSA-N 0 0 349.858 4.479 50 10 EICARN CCN(CC)c1ccc(CN(C)C(=O)Nc2ccc(F)cc2)cc1 ZINC000017743777 211972321 /nfs/dbraw/zinc/97/23/21/211972321.db2.gz GIFFPTKHKGXPEP-UHFFFAOYSA-N 0 0 329.419 4.336 50 10 EICARN O=C1N=C(N2CCCC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000015015245 211788326 /nfs/dbraw/zinc/78/83/26/211788326.db2.gz SCPOCBFONHKARO-GHXNOFRVSA-N 0 0 327.236 4.060 50 10 EICARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1ccccc1O ZINC000089813399 217850210 /nfs/dbraw/zinc/85/02/10/217850210.db2.gz CEHVBMAWLKTEPK-OAHLLOKOSA-N 0 0 338.388 4.038 50 10 EICARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccs1 ZINC000012413456 211373994 /nfs/dbraw/zinc/37/39/94/211373994.db2.gz VDJWEIFIJVHTSB-VBKFSLOCSA-N 0 0 339.416 4.015 50 10 EICARN COc1ccc(-n2c(C)cc(C(=O)NCc3ccccc3)c2C)cc1 ZINC000010741925 211187202 /nfs/dbraw/zinc/18/72/02/211187202.db2.gz AIYBIWRQHPBLKZ-UHFFFAOYSA-N 0 0 334.419 4.033 50 10 EICARN Cc1cc(CNC(=O)NCCC(C)C)c(C)n1-c1ccc(C)cc1 ZINC000009228577 211054981 /nfs/dbraw/zinc/05/49/81/211054981.db2.gz YLARWYQBCVFOME-UHFFFAOYSA-N 0 0 327.472 4.248 50 10 EICARN CC(C)CC(=O)N[C@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000000092389 563223137 /nfs/dbraw/zinc/22/31/37/563223137.db2.gz UECHRCZFFNFJCG-LJQANCHMSA-N 0 0 334.419 4.192 50 10 EICARN CCC(=O)N[C@H](c1ccccc1OC)c1c(O)ccc2ccccc21 ZINC000000245286 563265811 /nfs/dbraw/zinc/26/58/11/563265811.db2.gz KROQTWALYYTXRW-OAQYLSRUSA-N 0 0 335.403 4.170 50 10 EICARN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000000298324 563275405 /nfs/dbraw/zinc/27/54/05/563275405.db2.gz PTNJIBBNLNNYSL-UHFFFAOYSA-N 0 0 333.387 4.134 50 10 EICARN CCOC(=O)c1c(NCc2cc(C)ccc2O)sc2c1CCCC2 ZINC000000348532 563288731 /nfs/dbraw/zinc/28/87/31/563288731.db2.gz HHAARDDPCYEZAO-UHFFFAOYSA-N 0 0 345.464 4.430 50 10 EICARN O=C1S[C@H](Nc2cccc3ccccc32)C(=O)N1c1ccccc1 ZINC000001064853 563372592 /nfs/dbraw/zinc/37/25/92/563372592.db2.gz NDETVYXIPSIMEI-KRWDZBQOSA-N 0 0 334.400 4.478 50 10 EICARN O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001150684 563376334 /nfs/dbraw/zinc/37/63/34/563376334.db2.gz MDVWZFYISVFTBU-UKTHLTGXSA-N 0 0 332.837 4.141 50 10 EICARN Cc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)o1 ZINC000001164346 563376632 /nfs/dbraw/zinc/37/66/32/563376632.db2.gz NWZDJPBVILAHOR-DHDCSXOGSA-N 0 0 329.446 4.298 50 10 EICARN CCCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S ZINC000001747198 563409316 /nfs/dbraw/zinc/40/93/16/563409316.db2.gz DPGCZJINSBYQSW-COOUDCDJSA-N 0 0 345.489 4.395 50 10 EICARN O=C1NC(=S)S/C1=C\c1ccc(-c2nc3ccccc3s2)o1 ZINC000002439112 563432435 /nfs/dbraw/zinc/43/24/35/563432435.db2.gz SMECZWFCPJDBIE-GHXNOFRVSA-N 0 0 344.442 4.045 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000014011440 563735243 /nfs/dbraw/zinc/73/52/43/563735243.db2.gz GJZWXBMEJWUJJV-HKWRFOASSA-N 0 0 327.387 4.283 50 10 EICARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)c1 ZINC000015188320 563779687 /nfs/dbraw/zinc/77/96/87/563779687.db2.gz LTMGPJMANGFVQM-CPUCHLNUSA-N 0 0 337.335 4.330 50 10 EICARN Cc1oc(-c2ccccc2)nc1CN1CCOc2cc(N(C)C)ccc21 ZINC000072308889 563916597 /nfs/dbraw/zinc/91/65/97/563916597.db2.gz CAAGBSVWLXIXGU-UHFFFAOYSA-N 0 0 349.434 4.115 50 10 EICARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNC1CCCCC1 ZINC000096602830 563980905 /nfs/dbraw/zinc/98/09/05/563980905.db2.gz RQJGHZJRBSXDKT-GHRIWEEISA-N 0 0 329.419 4.135 50 10 EICARN COc1ccc(C2=C/C(=C/c3ccccc3Cl)C(=O)O2)c(OC)c1 ZINC000000199979 563988310 /nfs/dbraw/zinc/98/83/10/563988310.db2.gz UXHXMYHUCSIVJR-LCYFTJDESA-N 0 0 342.778 4.339 50 10 EICARN CCC(CC)C1=NN2C(=NC(=O)/C(=C/c3ccc(C)cc3)C2=N)S1 ZINC000005574902 564005750 /nfs/dbraw/zinc/00/57/50/564005750.db2.gz CYANFBPAWZUZEL-DVYIFPGJSA-N 0 0 340.452 4.050 50 10 EICARN CC1CC[NH+](Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)CC1 ZINC000000488818 564017382 /nfs/dbraw/zinc/01/73/82/564017382.db2.gz CAIKCPYAPNQUBD-UHFFFAOYSA-N 0 0 349.430 4.398 50 10 biogenic EICARN O=C1C(=CNc2ccccc2)SC(=S)N1CCc1ccccc1 ZINC000101937171 564019676 /nfs/dbraw/zinc/01/96/76/564019676.db2.gz QZCBMBIICRSACR-SSZFMOIBSA-N 0 0 340.473 4.043 50 10 EICARN Cc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)ccc3O)S2)cc1 ZINC000059145661 564050468 /nfs/dbraw/zinc/05/04/68/564050468.db2.gz ZCZCKDJRPANEPE-DHDCSXOGSA-N 0 0 344.823 4.436 50 10 EICARN CC[NH+](CC)Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1[O-] ZINC000001518808 564075847 /nfs/dbraw/zinc/07/58/47/564075847.db2.gz KFPDTXWFANKHOR-UHFFFAOYSA-N 0 0 337.419 4.316 50 10 EICARN COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1O ZINC000006468303 564089409 /nfs/dbraw/zinc/08/94/09/564089409.db2.gz FSPZVTJCMUFTQW-JDNHERCYSA-N 0 0 344.436 4.016 50 10 EICARN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2)cc1 ZINC000006804304 564098316 /nfs/dbraw/zinc/09/83/16/564098316.db2.gz GERUUXVUVLXJPU-UHFFFAOYSA-N 0 0 334.419 4.188 50 10 EICARN O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc1 ZINC000169683016 564098452 /nfs/dbraw/zinc/09/84/52/564098452.db2.gz YMVUKSQPEIRBPV-KEYYUXOJSA-N 0 0 337.335 4.330 50 10 EICARN CN(C)c1ccc(CNc2ncnc3c4ccccc4oc32)cc1F ZINC000170600302 564109270 /nfs/dbraw/zinc/10/92/70/564109270.db2.gz UKAJHGKTASBOGU-UHFFFAOYSA-N 0 0 336.370 4.193 50 10 EICARN CCc1cc(=O)oc2c(C)c([O-])c(C[N@H+]3CCCC[C@H]3CC)cc12 ZINC000002338101 564132384 /nfs/dbraw/zinc/13/23/84/564132384.db2.gz GQKQPVJSXMKLEX-MRXNPFEDSA-N 0 0 329.440 4.134 50 10 EICARN CCOC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CCC3 ZINC000039028350 564166352 /nfs/dbraw/zinc/16/63/52/564166352.db2.gz QIVXOFJFOZOOCK-UHFFFAOYSA-N 0 0 338.432 4.211 50 10 EICARN O=C1OC(c2ccccc2)=C/C1=C/c1ccc(Br)cc1 ZINC000000446566 1030445628 /nfs/dbraw/zinc/44/56/28/1030445628.db2.gz KCAQUBUBUKQBIR-UVTDQMKNSA-N 0 0 327.177 4.430 50 10 EICARN CN1CCCc2cc(/C=C/C(=O)N(Cc3ccccc3)C3CC3)ccc21 ZINC000061137037 1036878520 /nfs/dbraw/zinc/87/85/20/1036878520.db2.gz VESKDQKZVVMRMH-GXDHUFHOSA-N 0 0 346.474 4.273 50 10 EICARN Cc1ccc(NCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000004692972 210249203 /nfs/dbraw/zinc/24/92/03/210249203.db2.gz FFOCVQTWUPXXBX-LFIBNONCSA-N 0 0 340.473 4.266 50 10 EICARN Cc1ccsc1C[N@H+](Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC000055371526 214313724 /nfs/dbraw/zinc/31/37/24/214313724.db2.gz FPHVFUHHVNNCHJ-UHFFFAOYSA-N 0 0 342.439 4.499 50 10 EICARN COc1ccccc1N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000058357902 214561473 /nfs/dbraw/zinc/56/14/73/214561473.db2.gz JAVBMPDDANFIRN-UHFFFAOYSA-N 0 0 334.419 4.379 50 10 EICARN CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000004478010 210198702 /nfs/dbraw/zinc/19/87/02/210198702.db2.gz FLVYDMJWDZXDFE-MDWZMJQESA-N 0 0 335.837 4.431 50 10 EICARN Cc1ccc(NC=C2SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000004109371 210122594 /nfs/dbraw/zinc/12/25/94/210122594.db2.gz JAKHSPJUFIXUKP-PTNGSMBKSA-N 0 0 326.446 4.313 50 10 EICARN CCn1c(C)cc(C=C2SC(Nc3ccccc3)=NC2=O)c1C ZINC000004030216 210104504 /nfs/dbraw/zinc/10/45/04/210104504.db2.gz ZPQHJGQIEUHJLQ-WJDWOHSUSA-N 0 0 325.437 4.207 50 10 EICARN Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102733901 219226260 /nfs/dbraw/zinc/22/62/60/219226260.db2.gz KRTLHXUIMSQSOL-INIZCTEOSA-N 0 0 340.379 4.244 50 10 EICARN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000040058825 213255860 /nfs/dbraw/zinc/25/58/60/213255860.db2.gz AWENWBUQHJXSTG-UHFFFAOYSA-N 0 0 339.414 4.035 50 10 EICARN CCc1nnc(CNc2ccc(Cl)cc2C(=O)c2ccccc2)o1 ZINC000071833332 215865409 /nfs/dbraw/zinc/86/54/09/215865409.db2.gz NTRGRMDGRNZAIY-UHFFFAOYSA-N 0 0 341.798 4.129 50 10 EICARN COc1ccc(C2=C/C(=C/c3cccc(Cl)c3)C(=O)O2)c(OC)c1 ZINC000000199971 209479864 /nfs/dbraw/zinc/47/98/64/209479864.db2.gz POGKMVHMAPZQJC-JYRVWZFOSA-N 0 0 342.778 4.339 50 10 EICARN Cc1ccc(N2C(=O)C=C(Sc3ccc(Cl)cc3)C2=O)cc1 ZINC000000069168 209399429 /nfs/dbraw/zinc/39/94/29/209399429.db2.gz OFBDMMCCVLDVJM-UHFFFAOYSA-N 0 0 329.808 4.198 50 10 EICARN CC(C)c1ccc2c(N)c(C(=O)Oc3ccc(F)cc3F)sc2n1 ZINC000215681636 241141343 /nfs/dbraw/zinc/14/13/43/241141343.db2.gz PNSMCROOKVWMLT-UHFFFAOYSA-N 0 0 348.374 4.499 50 10 EICARN Nc1ccc(Oc2ccc(CC[C@H]3COc4ccccc4O3)cc2)nc1 ZINC000244817165 243089499 /nfs/dbraw/zinc/08/94/99/243089499.db2.gz SVHMYFVLFYHPNP-SFHVURJKSA-N 0 0 348.402 4.229 50 10 EICARN CCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000020619864 212157356 /nfs/dbraw/zinc/15/73/56/212157356.db2.gz CDKQHVDOFZRUPM-NTEUORMPSA-N 0 0 333.409 4.307 50 10 EICARN C[C@@H](Nc1ccc(Br)cn1)c1cc(Cl)ccc1O ZINC000020290367 212117194 /nfs/dbraw/zinc/11/71/94/212117194.db2.gz DMNOHUCRAOCAAX-MRVPVSSYSA-N 0 0 327.609 4.376 50 10 EICARN CCc1c(C)c2cc(Cl)c([O-])c(C[NH+]3CCCCC3)c2oc1=O ZINC000020293035 212116656 /nfs/dbraw/zinc/11/66/56/212116656.db2.gz OUOQGRXLGNBUQE-UHFFFAOYSA-N 0 0 335.831 4.009 50 10 aggregator EICARN O=c1oc2c(cc(Cl)c([O-])c2C[NH+]2CCCCC2)c2c1CCCC2 ZINC000019789543 212066359 /nfs/dbraw/zinc/06/63/59/212066359.db2.gz YFYMWFNBNWLLTC-UHFFFAOYSA-N 0 0 347.842 4.017 50 10 EICARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N)cc1 ZINC000019736665 212059510 /nfs/dbraw/zinc/05/95/10/212059510.db2.gz JXEVEGHIEOUDCH-HNNXBMFYSA-N 0 0 332.403 4.342 50 10 EICARN COc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1OC ZINC000016248040 211892869 /nfs/dbraw/zinc/89/28/69/211892869.db2.gz QVRKYVYXPLTMGG-MHWRWJLKSA-N 0 0 336.387 4.302 50 10 EICARN O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1ccccc1O ZINC000089813397 217850038 /nfs/dbraw/zinc/85/00/38/217850038.db2.gz CEHVBMAWLKTEPK-HNNXBMFYSA-N 0 0 338.388 4.038 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000012379716 211359829 /nfs/dbraw/zinc/35/98/29/211359829.db2.gz AVXVXNKSLRNVSY-FUHIMQAGSA-N 0 0 349.390 4.380 50 10 EICARN CN(C)c1ccc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012112954 211291711 /nfs/dbraw/zinc/29/17/11/211291711.db2.gz RMGABHPJLRCMPR-WJDWOHSUSA-N 0 0 342.395 4.133 50 10 EICARN CCc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000006780876 210708829 /nfs/dbraw/zinc/70/88/29/210708829.db2.gz GBYCLBSROAQTOG-UHFFFAOYSA-N 0 0 346.430 4.478 50 10 EICARN CC[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c(=O)oc2c(C)c1[O-])CCC3 ZINC000005025379 210365738 /nfs/dbraw/zinc/36/57/38/210365738.db2.gz AWQWVKOTJKRDMZ-HNNXBMFYSA-N 0 0 341.451 4.060 50 10 EICARN Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000000038234 208555067 /nfs/dbraw/zinc/55/50/67/208555067.db2.gz JZCVNTHDAGQJFQ-UHFFFAOYSA-N 0 0 328.431 4.148 50 10 EICARN CCCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=S ZINC000013600787 535262132 /nfs/dbraw/zinc/26/21/32/535262132.db2.gz MRRJVSYZXQEZAE-NXVVXOECSA-N 0 0 344.505 4.412 50 10 EICARN COc1cc(C2Nc3cccc4cccc(c43)N2)cc(OC)c1OC ZINC000000028677 563211622 /nfs/dbraw/zinc/21/16/22/563211622.db2.gz PPQSKZVLJQHWIG-UHFFFAOYSA-N 0 0 336.391 4.402 50 10 EICARN CCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O ZINC000000102711 563226597 /nfs/dbraw/zinc/22/65/97/563226597.db2.gz GKQPLNYKUJGLNH-QGZVFWFLSA-N 0 0 340.810 4.209 50 10 biogenic EICARN CCOc1ccc(N2COc3ccc(Br)cc3C2)cc1 ZINC000000111234 563230004 /nfs/dbraw/zinc/23/00/04/563230004.db2.gz KADIXNPUAVIANP-UHFFFAOYSA-N 0 0 334.213 4.204 50 10 EICARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000000207207 563260108 /nfs/dbraw/zinc/26/01/08/563260108.db2.gz LBQQJRMADSRJCJ-UHFFFAOYSA-N 0 0 339.844 4.144 50 10 EICARN CC(=O)N[C@H](c1ccccc1Cl)c1c(O)ccc2ccccc21 ZINC000000245385 563265777 /nfs/dbraw/zinc/26/57/77/563265777.db2.gz VXXSIPYMJHBDJD-LJQANCHMSA-N 0 0 325.795 4.424 50 10 EICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000001053752 563370814 /nfs/dbraw/zinc/37/08/14/563370814.db2.gz LBILVRNXTYBUGB-CXUHLZMHSA-N 0 0 326.421 4.035 50 10 EICARN CCOc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1 ZINC000001107785 563374906 /nfs/dbraw/zinc/37/49/06/563374906.db2.gz ZHLDMMOPBUECBW-UVTDQMKNSA-N 0 0 331.418 4.084 50 10 EICARN O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001158613 563376340 /nfs/dbraw/zinc/37/63/40/563376340.db2.gz RZDDTDPZJURUAP-MDWZMJQESA-N 0 0 332.837 4.141 50 10 EICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000002364480 563430520 /nfs/dbraw/zinc/43/05/20/563430520.db2.gz ODDXHLLFCMFKSX-VGOFMYFVSA-N 0 0 332.812 4.071 50 10 EICARN S=C(NCc1ccco1)N(Cc1ccccc1)Cc1ccccc1 ZINC000002768081 563450188 /nfs/dbraw/zinc/45/01/88/563450188.db2.gz QHLRFTDVYKCTCN-UHFFFAOYSA-N 0 0 336.460 4.357 50 10 EICARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000013802250 563724072 /nfs/dbraw/zinc/72/40/72/563724072.db2.gz WUSHVCXWVUDKHR-SXGWCWSVSA-N 0 0 326.421 4.035 50 10 EICARN CCC[N@@H+](Cc1cc(-c2nc(C)cnc2C)ccc1[O-])CC1CC1 ZINC000014884222 563766513 /nfs/dbraw/zinc/76/65/13/563766513.db2.gz XHZNPULSSNSNAM-UHFFFAOYSA-N 0 0 325.456 4.088 50 10 EICARN CCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CCC ZINC000018276710 563851867 /nfs/dbraw/zinc/85/18/67/563851867.db2.gz XIUNRFHFXKLIPX-FOWTUZBSSA-N 0 0 342.468 4.073 50 10 EICARN COc1ccccc1N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533635 563896367 /nfs/dbraw/zinc/89/63/67/563896367.db2.gz KXTVSFYZTYYHHE-SQXCIYSKSA-N 0 0 343.429 4.250 50 10 EICARN CC(C)CC(=O)N[C@@H](c1cccs1)c1ccc2cccnc2c1O ZINC000000092406 563916890 /nfs/dbraw/zinc/91/68/90/563916890.db2.gz MDLWLVWPYPTEPB-GOSISDBHSA-N 0 0 340.448 4.254 50 10 EICARN COc1ccc(C2=C/C(=C/c3ccc(Cl)cc3)C(=O)O2)c(OC)c1 ZINC000000199967 563988304 /nfs/dbraw/zinc/98/83/04/563988304.db2.gz IJXLRZVGNAACSL-LCYFTJDESA-N 0 0 342.778 4.339 50 10 EICARN CCN(CC)c1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000000315755 563990993 /nfs/dbraw/zinc/99/09/93/563990993.db2.gz KTPMFHCBVYQNGN-AQTBWJFISA-N 0 0 338.382 4.016 50 10 EICARN CC(=O)c1cccc(N2C(=O)C(=Cc3cccs3)SC2=S)c1 ZINC000005551844 564005281 /nfs/dbraw/zinc/00/52/81/564005281.db2.gz HMXKTLDLHVPHME-NTEUORMPSA-N 0 0 345.470 4.357 50 10 EICARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCCC[C@@H]1C ZINC000000524270 564021196 /nfs/dbraw/zinc/02/11/96/564021196.db2.gz SHIYFCPHHSSVMK-BMQZVHBQSA-N 0 0 332.379 4.357 50 10 EICARN Cc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)ccc3O)S2)cc1 ZINC000024830035 564034008 /nfs/dbraw/zinc/03/40/08/564034008.db2.gz ZCZCKDJRPANEPE-OQLLNIDSSA-N 0 0 344.823 4.436 50 10 EICARN COc1ccc(N2C(=O)/C(=C/c3ccsc3)SC2=S)cc1 ZINC000001086318 564054328 /nfs/dbraw/zinc/05/43/28/564054328.db2.gz JASIZNHLIZSZFS-JYRVWZFOSA-N 0 0 333.459 4.163 50 10 EICARN O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000001158614 564054571 /nfs/dbraw/zinc/05/45/71/564054571.db2.gz RZDDTDPZJURUAP-JYRVWZFOSA-N 0 0 332.837 4.141 50 10 EICARN O=C1/C(=C/c2cccc(F)c2)SC(=S)N1Cc1ccccc1 ZINC000001194719 564056338 /nfs/dbraw/zinc/05/63/38/564056338.db2.gz RALKUQLRJIOYAJ-GDNBJRDFSA-N 0 0 329.421 4.227 50 10 EICARN CC(=O)c1ccc(N2C(=O)C(=Cc3cccs3)SC2=S)cc1 ZINC000005371611 564058077 /nfs/dbraw/zinc/05/80/77/564058077.db2.gz PUWYLUFSGWUGII-NTEUORMPSA-N 0 0 345.470 4.357 50 10 EICARN CN(Cc1ccccc1O)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000083865602 564064031 /nfs/dbraw/zinc/06/40/31/564064031.db2.gz LOVZQUJYOLIYQU-UHFFFAOYSA-N 0 0 330.387 4.299 50 10 EICARN COc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OC ZINC000001422154 564066701 /nfs/dbraw/zinc/06/67/01/564066701.db2.gz QDDGPYQNXXWSAC-UHFFFAOYSA-N 0 0 347.374 4.212 50 10 EICARN CCOc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1OC ZINC000016213169 564080976 /nfs/dbraw/zinc/08/09/76/564080976.db2.gz KMJSIRISTGESPV-BOPFTXTBSA-N 0 0 336.387 4.384 50 10 EICARN O=c1cc(-c2ccccc2)c2ccc([O-])c(C[NH+]3CCCCC3)c2o1 ZINC000000116773 564090452 /nfs/dbraw/zinc/09/04/52/564090452.db2.gz PODWTADXQSKRMR-UHFFFAOYSA-N 0 0 335.403 4.152 50 10 aggregator,biogenic EICARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC[C@@H](C)C1 ZINC000002310496 564132146 /nfs/dbraw/zinc/13/21/46/564132146.db2.gz HNRCFHAUJIZLSQ-PQOIGDABSA-N 0 0 332.379 4.214 50 10 EICARN O=C(CCSc1nccs1)Nc1ccccc1C(F)(F)F ZINC000154654329 564137242 /nfs/dbraw/zinc/13/72/42/564137242.db2.gz OMEQJVMEYBSQEP-UHFFFAOYSA-N 0 0 332.372 4.283 50 10 EICARN O=C1N[C@H](c2ccc(O)cc2O)Nc2scc(-c3ccccc3)c21 ZINC000008381701 564164825 /nfs/dbraw/zinc/16/48/25/564164825.db2.gz ZFUWJGQGSBTGCM-INIZCTEOSA-N 0 0 338.388 4.255 50 10 EICARN O=C(c1coc2ccc([O-])c(C[NH+]3CCCC3)c12)c1ccc(F)cc1 ZINC000253405333 568422846 /nfs/dbraw/zinc/42/28/46/568422846.db2.gz IGBMHCFUGVRRLD-UHFFFAOYSA-N 0 0 339.366 4.104 50 10 EICARN Cc1ccccc1NC1=NC(=O)C(=Cc2cc(Cl)ccc2O)S1 ZINC000012598000 1055944384 /nfs/dbraw/zinc/94/43/84/1055944384.db2.gz LRVFXXSYRILKNM-OQLLNIDSSA-N 0 0 344.823 4.436 50 10 EICARN c1nc(SC[C@@H]2CCCO2)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000054774262 214254854 /nfs/dbraw/zinc/25/48/54/214254854.db2.gz KSGKQZFUZYVEAW-SJORKVTESA-N 0 0 344.480 4.000 50 10 EICARN CCOC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100249949 219095588 /nfs/dbraw/zinc/09/55/88/219095588.db2.gz MIIVYOOIDDKQJL-VBKFSLOCSA-N 0 0 341.798 4.033 50 10 EICARN CC1=NN(c2ccccc2)C(=S)C1=CN[C@@H](C)Cc1ccccc1 ZINC000100289383 219096193 /nfs/dbraw/zinc/09/61/93/219096193.db2.gz CTOKZEAOGJYBFJ-FHHIAAGZSA-N 0 0 335.476 4.315 50 10 EICARN CCCN(/N=N/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000100452958 219099610 /nfs/dbraw/zinc/09/96/10/219099610.db2.gz BIEKBOAPWJBVSP-WUKNDPDISA-N 0 0 329.316 4.418 50 10 EICARN O=[N+]([O-])c1cccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)c1 ZINC000004456015 210193434 /nfs/dbraw/zinc/19/34/34/210193434.db2.gz LTMGPJMANGFVQM-VBQJREDUSA-N 0 0 337.335 4.330 50 10 EICARN COC(=O)c1ccc([C@@H]2Nc3c(OC)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004151361 210133113 /nfs/dbraw/zinc/13/31/13/210133113.db2.gz AQXVDBCIBIMVFA-BXWFABGCSA-N 0 0 335.403 4.308 50 10 EICARN Cc1cccc(NC=C2SC(=S)N(c3ccc(O)cc3)C2=O)c1 ZINC000004109180 210122275 /nfs/dbraw/zinc/12/22/75/210122275.db2.gz ULMOPPGJGNQOBM-XNTDXEJSSA-N 0 0 342.445 4.019 50 10 EICARN CC(=O)c1c2cc3ccccc3cn2c2c1C(=O)c1ccccc1C2=O ZINC000003635763 210068722 /nfs/dbraw/zinc/06/87/22/210068722.db2.gz BNAOZYABRCDCNH-UHFFFAOYSA-N 0 0 339.350 4.071 50 10 EICARN Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(C)cc1 ZINC000003413015 210031483 /nfs/dbraw/zinc/03/14/83/210031483.db2.gz LCGMLPPGXVKXSO-UHFFFAOYSA-N 0 0 343.477 4.229 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 ZINC000002250913 209833896 /nfs/dbraw/zinc/83/38/96/209833896.db2.gz WNCWIHDDDXDYIC-GDNBJRDFSA-N 0 0 327.430 4.106 50 10 EICARN [O-]c1c([C@H](c2ccccn2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000019879775 212078913 /nfs/dbraw/zinc/07/89/13/212078913.db2.gz QLPZJTVSRZEZHY-GOSISDBHSA-N 0 0 339.826 4.174 50 10 EICARN Cc1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)n1 ZINC000019794067 212068471 /nfs/dbraw/zinc/06/84/71/212068471.db2.gz KRJJOESORRXLIL-FQEVSTJZSA-N 0 0 342.402 4.240 50 10 EICARN CC1CC[NH+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)CC1 ZINC000019770882 212063444 /nfs/dbraw/zinc/06/34/44/212063444.db2.gz NENSQPHXVCCTKY-UHFFFAOYSA-N 0 0 349.430 4.398 50 10 EICARN C[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000010910258 211194829 /nfs/dbraw/zinc/19/48/29/211194829.db2.gz XRESISWWGXCJAW-IQVOZAENSA-N 0 0 331.415 4.407 50 10 EICARN Cc1[nH]c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2c1C ZINC000009477056 211088918 /nfs/dbraw/zinc/08/89/18/211088918.db2.gz ZLPUESKVNJAVRK-UHFFFAOYSA-N 0 0 335.451 4.123 50 10 EICARN CC[C@@H](C)NC(=O)NCc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000009228830 211054779 /nfs/dbraw/zinc/05/47/79/211054779.db2.gz FGSBYRFUQCKUMV-GFCCVEGCSA-N 0 0 333.863 4.345 50 10 EICARN Cc1cc(CC(=O)Nc2ccccc2O)c(C)n1-c1ccc(C)cc1 ZINC000009112722 211040015 /nfs/dbraw/zinc/04/00/15/211040015.db2.gz WMSQICRHSCVANV-UHFFFAOYSA-N 0 0 334.419 4.289 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1C ZINC000095471585 218407406 /nfs/dbraw/zinc/40/74/06/218407406.db2.gz SONZHPLDGINANO-WJDWOHSUSA-N 0 0 325.799 4.367 50 10 EICARN CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000005201114 210412339 /nfs/dbraw/zinc/41/23/39/210412339.db2.gz GZTCJTAAKXXHKC-MDWZMJQESA-N 0 0 335.837 4.431 50 10 EICARN Cc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1C ZINC000004747157 210268716 /nfs/dbraw/zinc/26/87/16/210268716.db2.gz PENYYSXFTHRKPP-OQLLNIDSSA-N 0 0 326.446 4.104 50 10 EICARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc(F)cc1 ZINC000039995681 132398276 /nfs/dbraw/zinc/39/82/76/132398276.db2.gz SIRVWXNJBCPPKR-UHFFFAOYSA-N 0 0 340.442 4.017 50 10 EICARN Cc1c(Cl)cc(C(C)C)c(O)c1CN1C(=O)c2ccccc2C1=O ZINC000000106798 563228396 /nfs/dbraw/zinc/22/83/96/563228396.db2.gz FWZNKWVTJQPZMA-UHFFFAOYSA-N 0 0 343.810 4.274 50 10 EICARN Cc1c([O-])c(C[NH+]2CCCC2)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000000116899 563232167 /nfs/dbraw/zinc/23/21/67/563232167.db2.gz XNOBCXVQLYAYND-UHFFFAOYSA-N 0 0 335.403 4.070 50 10 EICARN COC(=O)c1sc2nc3c(c(-c4ccc(C)o4)c2c1N)CCCC3 ZINC000000348372 563288719 /nfs/dbraw/zinc/28/87/19/563288719.db2.gz YOCVARYEUTYSQP-UHFFFAOYSA-N 0 0 342.420 4.112 50 10 EICARN COc1ccc(N2C(=O)/C(=C\c3sccc3C)SC2=S)cc1 ZINC000001149595 563376346 /nfs/dbraw/zinc/37/63/46/563376346.db2.gz PBMPWNPEIFYUJX-NTEUORMPSA-N 0 0 347.486 4.471 50 10 EICARN Cc1ccsc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000001188007 563378084 /nfs/dbraw/zinc/37/80/84/563378084.db2.gz DTSOGIGLPLKTGH-NTEUORMPSA-N 0 0 331.487 4.458 50 10 EICARN COc1cccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c1 ZINC000001187999 563378206 /nfs/dbraw/zinc/37/82/06/563378206.db2.gz HTSFDKVMEJLAPY-YBEGLDIGSA-N 0 0 341.457 4.409 50 10 EICARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1ccco1 ZINC000012574101 563663524 /nfs/dbraw/zinc/66/35/24/563663524.db2.gz PIJWQLUDDDUFEY-VVGDYKIKSA-N 0 0 327.430 4.237 50 10 EICARN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000013810066 563724134 /nfs/dbraw/zinc/72/41/34/563724134.db2.gz JDWOVWICAZRHHD-AQTBWJFISA-N 0 0 339.435 4.000 50 10 EICARN CCc1cccc2c(C3=CCN(c4ccc([N+](=O)[O-])cn4)CC3)c[nH]c21 ZINC000014244948 563754813 /nfs/dbraw/zinc/75/48/13/563754813.db2.gz QQWQBGKJGOEESQ-UHFFFAOYSA-N 0 0 348.406 4.327 50 10 EICARN CCc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)s1 ZINC000015011059 563771896 /nfs/dbraw/zinc/77/18/96/563771896.db2.gz YOZYFUFCZINJAO-JYRVWZFOSA-N 0 0 335.475 4.305 50 10 EICARN CN(C)c1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1 ZINC000028287855 563902009 /nfs/dbraw/zinc/90/20/09/563902009.db2.gz FRIZUPKCUWVXQM-UHFFFAOYSA-N 0 0 337.448 4.056 50 10 EICARN CCc1ccc(C2=C/C(=C/c3cc(OC)ccc3OC)C(=O)O2)cc1 ZINC000000200045 563988295 /nfs/dbraw/zinc/98/82/95/563988295.db2.gz QXXPHHGWTZAWPC-BOPFTXTBSA-N 0 0 336.387 4.248 50 10 EICARN COc1cccc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)c1 ZINC000000449844 563999669 /nfs/dbraw/zinc/99/96/69/563999669.db2.gz JIQLURWFNALRDH-BOPFTXTBSA-N 0 0 338.432 4.394 50 10 EICARN Cc1nc2c(c(-c3ccccc3F)c1[N+](=O)[O-])C(=O)c1ccccc1-2 ZINC000004473292 564005124 /nfs/dbraw/zinc/00/51/24/564005124.db2.gz VVZJNAIFDWMPJW-UHFFFAOYSA-N 0 0 334.306 4.316 50 10 EICARN Cc1cc(CO)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000000470844 564012691 /nfs/dbraw/zinc/01/26/91/564012691.db2.gz GNZNQELRJQLIAP-UHFFFAOYSA-N 0 0 325.383 4.305 50 10 EICARN CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccncc2)SC1=S ZINC000005694878 564019137 /nfs/dbraw/zinc/01/91/37/564019137.db2.gz DIGSBNOZLNNDAQ-JMRXEAOASA-N 0 0 334.510 4.499 50 10 EICARN CN(Cc1ccccc1O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000047318671 564026087 /nfs/dbraw/zinc/02/60/87/564026087.db2.gz OYCRNKJTRAGHOD-UHFFFAOYSA-N 0 0 338.379 4.371 50 10 EICARN CC1=NN(c2ccccc2)C(=S)C1=CN=c1[nH]c2ccccc2n1C ZINC000211048808 564053703 /nfs/dbraw/zinc/05/37/03/564053703.db2.gz CRHZXRBEVVIYFE-NTCAYCPXSA-N 0 0 347.447 4.093 50 10 EICARN CN(C)c1ccc(CNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000012556265 564059367 /nfs/dbraw/zinc/05/93/67/564059367.db2.gz HXQPAAYYRVFMNA-UHFFFAOYSA-N 0 0 347.462 4.043 50 10 EICARN CN(C)c1ccc(CN(C)C(=O)Cc2ccc3ccccc3c2)cc1 ZINC000012609868 564060581 /nfs/dbraw/zinc/06/05/81/564060581.db2.gz HDQHBCRSFPZWLY-UHFFFAOYSA-N 0 0 332.447 4.107 50 10 EICARN O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccccc1O ZINC000075260688 564081318 /nfs/dbraw/zinc/08/13/18/564081318.db2.gz AZBVPNCVBLHGEK-FLIHGVEMSA-N 0 0 339.441 4.354 50 10 EICARN CC[C@H]1CCCC[N@@H+]1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1[O-] ZINC000002129079 564118551 /nfs/dbraw/zinc/11/85/51/564118551.db2.gz PVFHAIYAMFDFJK-INIZCTEOSA-N 0 0 329.440 4.188 50 10 biogenic EICARN COc1cccc(C2=N[C@@](C)(C(C)C)N[C@@H](c3ccccc3O)C2)c1 ZINC000004729833 210262049 /nfs/dbraw/zinc/26/20/49/210262049.db2.gz IWBQKXZUVIHQAZ-TZIWHRDSSA-N 0 0 338.451 4.297 50 10 EICARN c1nc(SC[C@H]2CCCO2)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000054774267 214255113 /nfs/dbraw/zinc/25/51/13/214255113.db2.gz KSGKQZFUZYVEAW-IAGOWNOFSA-N 0 0 344.480 4.000 50 10 EICARN O=C(c1cccs1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccco1 ZINC000004292030 210162509 /nfs/dbraw/zinc/16/25/09/210162509.db2.gz ILDYUMFFTSEVHF-OAHLLOKOSA-N 0 0 338.388 4.038 50 10 EICARN Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000004151774 210134255 /nfs/dbraw/zinc/13/42/55/210134255.db2.gz RKVYETXLERGGJY-UHFFFAOYSA-N 0 0 341.366 4.023 50 10 EICARN CC1=C(C(=O)OCCOc2ccccc2)Sc2ccccc2N1 ZINC000004046794 210108004 /nfs/dbraw/zinc/10/80/04/210108004.db2.gz NFKXVIPFOQASJV-UHFFFAOYSA-N 0 0 327.405 4.058 50 10 EICARN Cc1ccn2c(c1)nc(-c1ccco1)c2Nc1ccc2c(c1)OCO2 ZINC000003909855 210093227 /nfs/dbraw/zinc/09/32/27/210093227.db2.gz GJCYVPMECYVOKJ-UHFFFAOYSA-N 0 0 333.347 4.375 50 10 aggregator EICARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccncc1 ZINC000102907241 219240764 /nfs/dbraw/zinc/24/07/64/219240764.db2.gz PFAGYMBTGNNLCN-GHTZIAJQSA-N 0 0 343.386 4.030 50 10 EICARN CCOC(=O)c1c(NCc2ccc(C)cc2O)sc2c1CCCC2 ZINC000000521154 209644914 /nfs/dbraw/zinc/64/49/14/209644914.db2.gz ZPUXKOHWHQPGAR-UHFFFAOYSA-N 0 0 345.464 4.430 50 10 EICARN CCc1ccccc1NC1=NC(=O)C(=Cc2ccc(OC)cc2)S1 ZINC000035042510 213005097 /nfs/dbraw/zinc/00/50/97/213005097.db2.gz LTWPTRMRDDMUJS-SFQUDFHCSA-N 0 0 338.432 4.340 50 10 EICARN Cc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccccc1F ZINC000032906380 212867125 /nfs/dbraw/zinc/86/71/25/212867125.db2.gz OBGFXPJNHGGKQG-UHFFFAOYSA-N 0 0 338.382 4.095 50 10 EICARN COc1cc([N+](=O)[O-])cc2c1N[C@H]([C@@H]1CC=CCC1)[C@H]1CC=C[C@@H]21 ZINC000230089369 242229660 /nfs/dbraw/zinc/22/96/60/242229660.db2.gz PSPLPPYNGLDIRF-LJGDNWOOSA-N 0 0 326.396 4.414 50 10 EICARN Cc1oc2c(ccc([O-])c2C[NH+](C)C)c(=O)c1-c1ccc(Cl)cc1 ZINC000020438567 212129233 /nfs/dbraw/zinc/12/92/33/212129233.db2.gz UDWXFONPFWNBGP-UHFFFAOYSA-N 0 0 343.810 4.189 50 10 biogenic EICARN Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccn3)c(O)c2n1 ZINC000019843042 212075491 /nfs/dbraw/zinc/07/54/91/212075491.db2.gz OZUXQEGCXXIRJP-HXUWFJFHSA-N 0 0 342.402 4.240 50 10 EICARN CC[C@H]1CCCC[N@@H+]1Cc1c([O-])c(Cl)cc2c(C)cc(=O)oc21 ZINC000019789541 212066392 /nfs/dbraw/zinc/06/63/92/212066392.db2.gz KOBRSAVGLLIUTE-LBPRGKRZSA-N 0 0 335.831 4.225 50 10 EICARN Nc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000019736186 212058787 /nfs/dbraw/zinc/05/87/87/212058787.db2.gz RHDLYTOJGQWIEV-UHFFFAOYSA-N 0 0 339.222 4.373 50 10 EICARN Cc1ccccc1COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000013943855 211659651 /nfs/dbraw/zinc/65/96/51/211659651.db2.gz VPPRNJBPJRGMLI-YBEGLDIGSA-N 0 0 341.457 4.063 50 10 EICARN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000013804263 211641753 /nfs/dbraw/zinc/64/17/53/211641753.db2.gz GZRCPYBYMUWKRA-DYTQJMLRSA-N 0 0 326.446 4.044 50 10 EICARN CCCOc1ccccc1/C=C1\SC(N2CCCCCC2)=NC1=O ZINC000012436687 211380248 /nfs/dbraw/zinc/38/02/48/211380248.db2.gz ALONRKKJLVBFEJ-VKAVYKQESA-N 0 0 344.480 4.322 50 10 EICARN CC(=O)Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000012379728 211362066 /nfs/dbraw/zinc/36/20/66/211362066.db2.gz VNKSNXSXZRIHGM-SXGZJXTBSA-N 0 0 349.390 4.380 50 10 EICARN CC(C)N1C(=O)/C(=C/c2cc(Cl)c3ccccc3n2)SC1=S ZINC000012289314 211333944 /nfs/dbraw/zinc/33/39/44/211333944.db2.gz WQMQDWAOFCSMGI-ZSOIEALJSA-N 0 0 348.880 4.498 50 10 EICARN C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc21 ZINC000010910252 211195055 /nfs/dbraw/zinc/19/50/55/211195055.db2.gz XRESISWWGXCJAW-IBZMOEQTSA-N 0 0 331.415 4.407 50 10 EICARN COc1ccc(-n2c(C)cc(CNC(=O)Nc3ccccc3)c2C)cc1 ZINC000009228627 211054412 /nfs/dbraw/zinc/05/44/12/211054412.db2.gz UCXVJAXZGUIFJJ-UHFFFAOYSA-N 0 0 349.434 4.424 50 10 EICARN CC1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000008843388 211009685 /nfs/dbraw/zinc/00/96/85/211009685.db2.gz QKFBXYCIDZOONC-UHFFFAOYSA-N 0 0 330.409 4.262 50 10 EICARN CCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2CC)SC1=S ZINC000008467176 210954411 /nfs/dbraw/zinc/95/44/11/210954411.db2.gz KJXKJGBRCAUHMN-FOIMCPNXSA-N 0 0 348.518 4.224 50 10 EICARN CN(C)c1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1 ZINC000008171669 210906923 /nfs/dbraw/zinc/90/69/23/210906923.db2.gz MOOAILYGVAONQU-UHFFFAOYSA-N 0 0 348.446 4.262 50 10 EICARN Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cccnc1 ZINC000006721621 210690255 /nfs/dbraw/zinc/69/02/55/210690255.db2.gz DHHNXUPNZRIEQV-RXVVDRJESA-N 0 0 343.386 4.030 50 10 EICARN CN(C)c1ccc(/C=C\C(=O)N(C)C2C3CC4CC(C3)CC2C4)cc1 ZINC000096401561 218750350 /nfs/dbraw/zinc/75/03/50/218750350.db2.gz LTRYRCVZTGKPEP-TWGQIWQCSA-N 0 0 338.495 4.049 50 10 EICARN CN(C)c1ccc(/C=C/c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000005830599 210543054 /nfs/dbraw/zinc/54/30/54/210543054.db2.gz WAGJHLJMYZRCTL-CSKARUKUSA-N 0 0 325.393 4.441 50 10 EICARN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000005694875 210519201 /nfs/dbraw/zinc/51/92/01/210519201.db2.gz POKVGKJDASKTQX-QQFZQELXSA-N 0 0 334.510 4.499 50 10 EICARN Cc1c([O-])c(C[N@H+]2CCC[C@H](C)C2)cc2c3ccccc3c(=O)oc12 ZINC000005071561 210383952 /nfs/dbraw/zinc/38/39/52/210383952.db2.gz MXUUGTAPKAJVPF-ZDUSSCGKSA-N 0 0 337.419 4.192 50 10 EICARN CCOc1ccccc1NC=C1SC(=S)N(C2CCCC2)C1=O ZINC000005021786 210365061 /nfs/dbraw/zinc/36/50/61/210365061.db2.gz VYJHSRWTBCRLPV-RVDMUPIBSA-N 0 0 348.493 4.142 50 10 EICARN CCN1C(=O)/C(=C\C=C2\N(C)c3ccccc3C2(C)C)SC1=S ZINC000004747211 210269247 /nfs/dbraw/zinc/26/92/47/210269247.db2.gz QFTZFCHXTGZQEA-WFYKWJGLSA-N 0 0 344.505 4.062 50 10 EICARN Cc1cccc2[nH]cc(C3=CCN(c4ccc([N+](=O)[O-])cn4)CC3)c21 ZINC000040139292 132399251 /nfs/dbraw/zinc/39/92/51/132399251.db2.gz OGRGSBSRQQNKQI-UHFFFAOYSA-N 0 0 334.379 4.073 50 10 EICARN Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1 ZINC000000307535 563278448 /nfs/dbraw/zinc/27/84/48/563278448.db2.gz QLJGQLPHQVQVJE-UHFFFAOYSA-N 0 0 326.450 4.440 50 10 aggregator EICARN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(Br)c1 ZINC000000382003 563300035 /nfs/dbraw/zinc/30/00/35/563300035.db2.gz CQWBFWKCUCSLDZ-UHFFFAOYSA-N 0 0 345.240 4.302 50 10 EICARN Cc1ccc(Cl)cc1-c1ccc(C=C2SC(=S)NC2=O)o1 ZINC000000974526 563366732 /nfs/dbraw/zinc/36/67/32/563366732.db2.gz QGOXWWBKRXUNRL-NTUHNPAUSA-N 0 0 335.837 4.397 50 10 EICARN CCc1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(C)C2=O)c1C ZINC000001175696 563377650 /nfs/dbraw/zinc/37/76/50/563377650.db2.gz YGCAMPHEOLKUHR-GZTJUZNOSA-N 0 0 340.448 4.323 50 10 EICARN COc1ccccc1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002289022 563428791 /nfs/dbraw/zinc/42/87/91/563428791.db2.gz OPDGQHAPKWKCRT-MRXNPFEDSA-N 0 0 346.430 4.276 50 10 EICARN CCCCC(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000002841252 563454672 /nfs/dbraw/zinc/45/46/72/563454672.db2.gz SFSAUTWTKUGUFI-UHFFFAOYSA-N 0 0 326.484 4.245 50 10 EICARN CCOc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 ZINC000005475583 563534011 /nfs/dbraw/zinc/53/40/11/563534011.db2.gz ZHLDMMOPBUECBW-GXDHUFHOSA-N 0 0 331.418 4.084 50 10 EICARN Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)s1 ZINC000013766040 563932797 /nfs/dbraw/zinc/93/27/97/563932797.db2.gz MXCWEISVULJATE-LCYFTJDESA-N 0 0 342.445 4.037 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000013774653 563933056 /nfs/dbraw/zinc/93/30/56/563933056.db2.gz DEVLNUKFUVCZDW-WJDWOHSUSA-N 0 0 341.208 4.255 50 10 EICARN COc1ccc(N(Cc2ccco2)Cc2nnc(C(C)C)o2)cc1F ZINC000096417470 563951265 /nfs/dbraw/zinc/95/12/65/563951265.db2.gz SYYITHNDJUDEDY-UHFFFAOYSA-N 0 0 345.374 4.141 50 10 EICARN COc1cccc(/C=C2\C(=O)N(c3cccc(Cl)c3C)N=C2C)c1 ZINC000033309453 563973509 /nfs/dbraw/zinc/97/35/09/563973509.db2.gz WVDIJSRHPHIAIP-WJDWOHSUSA-N 0 0 340.810 4.463 50 10 EICARN Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1 ZINC000000070573 563974114 /nfs/dbraw/zinc/97/41/14/563974114.db2.gz HDWXIKHRVCXNLF-UHFFFAOYSA-N 0 0 346.766 4.128 50 10 EICARN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000005201096 564000532 /nfs/dbraw/zinc/00/05/32/564000532.db2.gz WGQSKIXRBSMGNW-LFIBNONCSA-N 0 0 341.457 4.097 50 10 EICARN Cc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c1 ZINC000005201190 564000550 /nfs/dbraw/zinc/00/05/50/564000550.db2.gz JWKGSAKZSGTHLQ-XNTDXEJSSA-N 0 0 327.430 4.106 50 10 EICARN Cc1cc2ccccn2c1C(=S)NC(=O)c1ccc(Cl)cc1 ZINC000005578465 564005879 /nfs/dbraw/zinc/00/58/79/564005879.db2.gz BJNZOKUPUOPJOK-UHFFFAOYSA-N 0 0 328.824 4.007 50 10 EICARN O=C1C(=CNc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000102878274 564020898 /nfs/dbraw/zinc/02/08/98/564020898.db2.gz MEVWASOCXAAMNV-GXDHUFHOSA-N 0 0 349.287 4.087 50 10 EICARN O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1c1ccccc1O ZINC000210988757 564053317 /nfs/dbraw/zinc/05/33/17/564053317.db2.gz AZBVPNCVBLHGEK-AMHMVXRNSA-N 0 0 339.441 4.354 50 10 EICARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 ZINC000006603568 564092986 /nfs/dbraw/zinc/09/29/86/564092986.db2.gz IJAPEORMUPRGSM-QLJPJBMISA-N 0 0 328.437 4.398 50 10 EICARN COc1ccc(C2(Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000006902071 564101127 /nfs/dbraw/zinc/10/11/27/564101127.db2.gz QJTJAKBLADGDNX-UHFFFAOYSA-N 0 0 343.382 4.082 50 10 EICARN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C2CCC2)cc1 ZINC000007105465 564104869 /nfs/dbraw/zinc/10/48/69/564104869.db2.gz DKVMFYPCMAFRBB-UHFFFAOYSA-N 0 0 338.451 4.095 50 10 EICARN COc1ccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)cc1 ZINC000001061624 564116826 /nfs/dbraw/zinc/11/68/26/564116826.db2.gz JRUPSUHGNBVOBV-UHFFFAOYSA-N 0 0 326.440 4.165 50 10 EICARN CCc1cc(=O)oc2c(C)c([O-])c(C[N@H+]3CCCC[C@@H]3CC)cc12 ZINC000002338103 564132375 /nfs/dbraw/zinc/13/23/75/564132375.db2.gz GQKQPVJSXMKLEX-INIZCTEOSA-N 0 0 329.440 4.134 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1C ZINC000002393061 564134473 /nfs/dbraw/zinc/13/44/73/564134473.db2.gz NQUCYQJXJFYDHW-GDNBJRDFSA-N 0 0 328.462 4.048 50 10 EICARN Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1ccc(C)cc1 ZINC000003509757 564158583 /nfs/dbraw/zinc/15/85/83/564158583.db2.gz RLUPZKNEAXMJLL-UHFFFAOYSA-N 0 0 337.375 4.035 50 10 EICARN O=C1N=C(Nc2ccc3ccccc3c2)SC1=Cc1cccnc1 ZINC000008436718 564165326 /nfs/dbraw/zinc/16/53/26/564165326.db2.gz LFSLWUSJQFKPLZ-YVLHZVERSA-N 0 0 331.400 4.317 50 10 EICARN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000077258335 564176687 /nfs/dbraw/zinc/17/66/87/564176687.db2.gz XLYXBMFXXPVPQM-CABCVRRESA-N 0 0 349.352 4.173 50 10 EICARN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000077258334 564176704 /nfs/dbraw/zinc/17/67/04/564176704.db2.gz XLYXBMFXXPVPQM-HUUCEWRRSA-N 0 0 349.352 4.173 50 10 EICARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1C ZINC000004660869 210240203 /nfs/dbraw/zinc/24/02/03/210240203.db2.gz LSXVBXDJYQKTSO-UHFFFAOYSA-N 0 0 341.432 4.271 50 10 EICARN Cc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)cc1[N+](=O)[O-] ZINC000004623238 210234420 /nfs/dbraw/zinc/23/44/20/210234420.db2.gz PYKDCBAVVFLXCD-UHFFFAOYSA-N 0 0 346.346 4.411 50 10 EICARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2 ZINC000004623404 210233538 /nfs/dbraw/zinc/23/35/38/210233538.db2.gz QOJLCDHPSFFGKY-PBFPGSCMSA-N 0 0 340.810 4.348 50 10 EICARN c1coc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 ZINC000004597431 210228961 /nfs/dbraw/zinc/22/89/61/210228961.db2.gz UENSIXLPLYMXMK-UHFFFAOYSA-N 0 0 333.347 4.109 50 10 EICARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1 ZINC000004409677 210189910 /nfs/dbraw/zinc/18/99/10/210189910.db2.gz PADQUVZDTGNTLH-MPGHIAIKSA-N 0 0 337.335 4.330 50 10 EICARN COc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1 ZINC000004387522 210185784 /nfs/dbraw/zinc/18/57/84/210185784.db2.gz DXEBBWIGHFOWAN-RPGBBNPCSA-N 0 0 343.429 4.250 50 10 EICARN CCN(CC)c1ccc([C@H]2Nc3sc(C)c(C)c3C(=O)N2)cc1 ZINC000004062878 210111692 /nfs/dbraw/zinc/11/16/92/210111692.db2.gz MRYXGOANIYHZNH-MRXNPFEDSA-N 0 0 329.469 4.065 50 10 EICARN Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)o1 ZINC000003906239 210090245 /nfs/dbraw/zinc/09/02/45/210090245.db2.gz GRVANFRSDFKADJ-UHFFFAOYSA-N 0 0 333.347 4.375 50 10 EICARN CCCCOC(=O)c1ccc(NCc2cccc(OCC)c2O)cc1 ZINC000044836400 213649467 /nfs/dbraw/zinc/64/94/67/213649467.db2.gz PBHFCSTXCRVTBH-UHFFFAOYSA-N 0 0 343.423 4.360 50 10 EICARN CN(Cc1ccccc1O)C(=O)C(c1ccccc1)c1ccccc1 ZINC000042116826 213481593 /nfs/dbraw/zinc/48/15/93/213481593.db2.gz XSBUINZHAHBFEZ-UHFFFAOYSA-N 0 0 331.415 4.183 50 10 EICARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1ccc(F)cc1 ZINC000002444217 209850616 /nfs/dbraw/zinc/85/06/16/209850616.db2.gz FGEIQFUAKYXHLJ-GSPDUGTFSA-N 0 0 331.393 4.381 50 10 EICARN CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc21 ZINC000000446482 209605842 /nfs/dbraw/zinc/60/58/42/209605842.db2.gz WIIVTVUNBAATAJ-JOCHJYFZSA-N 0 0 348.446 4.227 50 10 EICARN COc1cc(Cl)cc(/C=C2/SC(c3ccccc3)=NC2=O)c1O ZINC000000115738 209430930 /nfs/dbraw/zinc/43/09/30/209430930.db2.gz GLHVXTUPIGWXRE-RIYZIHGNSA-N 0 0 345.807 4.115 50 10 EICARN Oc1ccccc1[C@@H](Nc1nccs1)c1ccc2cccnc2c1O ZINC000000067169 209398819 /nfs/dbraw/zinc/39/88/19/209398819.db2.gz VMIMNLFMPPMDIV-QGZVFWFLSA-N 0 0 349.415 4.304 50 10 EICARN Oc1ccccc1[C@H](Nc1nccs1)c1ccc2cccnc2c1O ZINC000000067162 209398296 /nfs/dbraw/zinc/39/82/96/209398296.db2.gz VMIMNLFMPPMDIV-KRWDZBQOSA-N 0 0 349.415 4.304 50 10 EICARN CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+]1CCCCC1 ZINC000020325800 212119673 /nfs/dbraw/zinc/11/96/73/212119673.db2.gz MBHCOFCTLPLCLB-UHFFFAOYSA-N 0 0 349.858 4.481 50 10 EICARN Cc1ccnc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1 ZINC000019800002 212069546 /nfs/dbraw/zinc/06/95/46/212069546.db2.gz TVPUVEWTDLBXFX-IBGZPJMESA-N 0 0 342.402 4.240 50 10 EICARN S=C(c1ccc(-c2c(Cl)cccc2Cl)o1)N1CCOCC1 ZINC000009305257 211064026 /nfs/dbraw/zinc/06/40/26/211064026.db2.gz XGIAZWZAELDTPV-UHFFFAOYSA-N 0 0 342.247 4.261 50 10 EICARN O=C1N=C(NC2CCCC2)SC1=Cc1ccc(C(F)(F)F)cc1 ZINC000096121195 218612884 /nfs/dbraw/zinc/61/28/84/218612884.db2.gz OMFHYCSVCBSYCU-UKTHLTGXSA-N 0 0 340.370 4.208 50 10 EICARN Cc1ccsc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccco1 ZINC000006790046 210713217 /nfs/dbraw/zinc/71/32/17/210713217.db2.gz CGVZDTNJMNBNIM-NTCAYCPXSA-N 0 0 334.400 4.484 50 10 EICARN CN(C)c1ccc(C=CC=C2SC(Nc3ccccc3)=NC2=O)cc1 ZINC000005577046 210493509 /nfs/dbraw/zinc/49/35/09/210493509.db2.gz NQPVIZHYBQUQHM-WNQIWMROSA-N 0 0 349.459 4.391 50 10 EICARN CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S ZINC000005024126 210365661 /nfs/dbraw/zinc/36/56/61/210365661.db2.gz WDQMCYRBECGYCS-LFIBNONCSA-N 0 0 341.457 4.097 50 10 EICARN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)SC1=S ZINC000005023036 210365322 /nfs/dbraw/zinc/36/53/22/210365322.db2.gz KDONNLHNUFGUFL-LFIBNONCSA-N 0 0 342.489 4.315 50 10 EICARN O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O ZINC000004807783 210281862 /nfs/dbraw/zinc/28/18/62/210281862.db2.gz FSRNJBKLLKZKNJ-HXUWFJFHSA-N 0 0 342.398 4.384 50 10 EICARN Cc1ccc(NC2=NC(=O)C(=Cc3cccc(O)c3)S2)cc1Cl ZINC000005061571 257868248 /nfs/dbraw/zinc/86/82/48/257868248.db2.gz XQHFJHKVKIMXHA-NVNXTCNLSA-N 0 0 344.823 4.436 50 10 EICARN CCN(CC)c1ccc(/C=C2\OC(=O)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000017118078 258056816 /nfs/dbraw/zinc/05/68/16/258056816.db2.gz JTZFHPWUFGPJOX-WQRHYEAKSA-N 0 0 338.363 4.110 50 10 EICARN S=C(c1ccc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1 ZINC000000052960 526386972 /nfs/dbraw/zinc/38/69/72/526386972.db2.gz AYQTTWITOCYERA-UHFFFAOYSA-N 0 0 348.471 4.444 50 10 EICARN CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000000088663 563221410 /nfs/dbraw/zinc/22/14/10/563221410.db2.gz KMCTZTBEJZNCJM-MRXNPFEDSA-N 0 0 349.217 4.397 50 10 EICARN COc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)c(O)c1 ZINC000000457224 563324881 /nfs/dbraw/zinc/32/48/81/563324881.db2.gz IYOMIFKUOWMIJS-CQSZACIVSA-N 0 0 337.206 4.146 50 10 EICARN Oc1ccc(Br)cc1CNc1ccc(F)c(F)c1F ZINC000000732338 563363052 /nfs/dbraw/zinc/36/30/52/563363052.db2.gz FICGRGQEJGOPGV-UHFFFAOYSA-N 0 0 332.119 4.184 50 10 EICARN O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 ZINC000001067623 563372903 /nfs/dbraw/zinc/37/29/03/563372903.db2.gz DTTMESYQADJMCV-UVTDQMKNSA-N 0 0 342.401 4.001 50 10 EICARN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1C ZINC000001151742 563376352 /nfs/dbraw/zinc/37/63/52/563376352.db2.gz VIMIRLCWKDUOGJ-XNTDXEJSSA-N 0 0 328.462 4.048 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c(C)c1 ZINC000002918768 563463500 /nfs/dbraw/zinc/46/35/00/563463500.db2.gz QXUJLKUZXSFOBD-YBEGLDIGSA-N 0 0 341.457 4.415 50 10 EICARN CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O ZINC000004949403 563515833 /nfs/dbraw/zinc/51/58/33/563515833.db2.gz PCBUPGAWZCHVQF-FOWTUZBSSA-N 0 0 330.453 4.042 50 10 EICARN CCCCn1c2ccccc2nc1NCc1ccc(OC)cc1O ZINC000013425494 563698407 /nfs/dbraw/zinc/69/84/07/563698407.db2.gz FVBHLMXTIXVUJE-UHFFFAOYSA-N 0 0 325.412 4.163 50 10 EICARN [O-]c1c(Cl)cc(Cl)cc1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019301131 563918146 /nfs/dbraw/zinc/91/81/46/563918146.db2.gz VGVLRBZRXUPPKU-HNNXBMFYSA-N 0 0 333.218 4.415 50 10 EICARN O=S(=O)(Nc1ccc(O)cc1)c1ccc(C2CCCCC2)cc1 ZINC000041091092 563924220 /nfs/dbraw/zinc/92/42/20/563924220.db2.gz CZMCSWPASMTJNL-UHFFFAOYSA-N 0 0 331.437 4.241 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000013616055 563930674 /nfs/dbraw/zinc/93/06/74/563930674.db2.gz LIRLTLKXSIBPQQ-PTNGSMBKSA-N 0 0 333.478 4.229 50 10 EICARN COc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O ZINC000013714910 563932199 /nfs/dbraw/zinc/93/21/99/563932199.db2.gz FFEBBDNRRKNEKX-DHDCSXOGSA-N 0 0 345.420 4.240 50 10 EICARN Oc1ccccc1CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071750740 563965091 /nfs/dbraw/zinc/96/50/91/563965091.db2.gz HYPAWVIUIHXCOK-KRWDZBQOSA-N 0 0 338.234 4.273 50 10 EICARN Nc1ccc(CC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000097229063 563970615 /nfs/dbraw/zinc/97/06/15/563970615.db2.gz PIBHXZSUMWZPOZ-UHFFFAOYSA-N 0 0 348.368 4.021 50 10 EICARN Oc1c([C@@H](Nc2ncccn2)c2ccc(F)cc2)ccc2cccnc21 ZINC000000086092 563975864 /nfs/dbraw/zinc/97/58/64/563975864.db2.gz LYEBONJOTDUHOF-KRWDZBQOSA-N 0 0 346.365 4.071 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000096822627 563981127 /nfs/dbraw/zinc/98/11/27/563981127.db2.gz KEFIFWAERGWKCH-PGMHBOJBSA-N 0 0 345.446 4.483 50 10 EICARN COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)cc1OC ZINC000000120745 563986759 /nfs/dbraw/zinc/98/67/59/563986759.db2.gz VKFDUDUPVUIVOZ-QGZVFWFLSA-N 0 0 348.402 4.001 50 10 EICARN CC1=NN(c2ccccc2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000206465087 564002120 /nfs/dbraw/zinc/00/21/20/564002120.db2.gz FSCNPWIIJUALQT-RVDMUPIBSA-N 0 0 348.431 4.323 50 10 EICARN Cc1cc(C(=O)Cn2ccc(C(F)(F)F)n2)c(C)n1-c1ccccc1 ZINC000048362504 564031467 /nfs/dbraw/zinc/03/14/67/564031467.db2.gz AVBDRDMLKWWZSQ-UHFFFAOYSA-N 0 0 347.340 4.192 50 10 EICARN CC(=Cc1ccccc1)C=C1SC(Nc2ccccc2O)=NC1=O ZINC000001452222 564072888 /nfs/dbraw/zinc/07/28/88/564072888.db2.gz LHVCWIROHIILMV-RQGFIEOQSA-N 0 0 336.416 4.421 50 10 EICARN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1 ZINC000013562262 564074290 /nfs/dbraw/zinc/07/42/90/564074290.db2.gz PADQUVZDTGNTLH-RKVPGOIHSA-N 0 0 337.335 4.330 50 10 EICARN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c(O)c1 ZINC000006426357 564086131 /nfs/dbraw/zinc/08/61/31/564086131.db2.gz PTUFJQVHTKXFLN-HWPZZCPQSA-N 0 0 328.437 4.316 50 10 EICARN COCCN(Cc1ccc(Cl)s1)c1ccc(OC)c(OC)c1 ZINC000076093221 564115653 /nfs/dbraw/zinc/11/56/53/564115653.db2.gz ZXPMULWFGLSLDE-UHFFFAOYSA-N 0 0 341.860 4.072 50 10 EICARN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000077258336 564176666 /nfs/dbraw/zinc/17/66/66/564176666.db2.gz XLYXBMFXXPVPQM-LSDHHAIUSA-N 0 0 349.352 4.173 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000106452816 1023947455 /nfs/dbraw/zinc/94/74/55/1023947455.db2.gz NUFDRKSKGRVAMX-NBVRZTHBSA-N 0 0 335.407 4.076 50 10 EICARN Cc1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1C ZINC000005812863 1034611341 /nfs/dbraw/zinc/61/13/41/1034611341.db2.gz OUPIOBYVPCHIEQ-XNTDXEJSSA-N 0 0 326.446 4.104 50 10 EICARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2 ZINC000004623400 210234278 /nfs/dbraw/zinc/23/42/78/210234278.db2.gz QOJLCDHPSFFGKY-IIYDPXPESA-N 0 0 340.810 4.348 50 10 EICARN Cc1ccc(O)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1 ZINC000004571289 210223741 /nfs/dbraw/zinc/22/37/41/210223741.db2.gz WNLFYHSLWBHJPD-HWPZZCPQSA-N 0 0 328.437 4.316 50 10 EICARN O=C1[C@@H](Cc2ccccc2Cl)SC(=S)N1c1ccccc1 ZINC000004539868 210216016 /nfs/dbraw/zinc/21/60/16/210216016.db2.gz PBJCLGPACINUQO-CQSZACIVSA-N 0 0 333.865 4.316 50 10 EICARN CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000004508714 210208674 /nfs/dbraw/zinc/20/86/74/210208674.db2.gz KSVLEMPZIMYKPK-MDWZMJQESA-N 0 0 335.837 4.431 50 10 EICARN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000004168330 210137981 /nfs/dbraw/zinc/13/79/81/210137981.db2.gz QOJLCDHPSFFGKY-XNJGSVPQSA-N 0 0 340.810 4.348 50 10 EICARN Nc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] ZINC000004117098 210123640 /nfs/dbraw/zinc/12/36/40/210123640.db2.gz ZJSNGDSQXFXROQ-QURGRASLSA-N 0 0 335.327 4.126 50 10 EICARN Cc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000003895640 210085934 /nfs/dbraw/zinc/08/59/34/210085934.db2.gz LJHGGSPAUGMTOJ-UHFFFAOYSA-N 0 0 341.366 4.023 50 10 EICARN Cc1cccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1 ZINC000003642534 210071052 /nfs/dbraw/zinc/07/10/52/210071052.db2.gz NMXNNBMGMUREIP-UHFFFAOYSA-N 0 0 331.375 4.415 50 10 EICARN Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000102907371 219241021 /nfs/dbraw/zinc/24/10/21/219241021.db2.gz PULUYYLFTLPVFL-TZIWHRDSSA-N 0 0 343.386 4.030 50 10 EICARN O=C(NC1CCCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000040156492 213274328 /nfs/dbraw/zinc/27/43/28/213274328.db2.gz XHZWOQUWEIJTRH-UHFFFAOYSA-N 0 0 328.412 4.030 50 10 EICARN COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2cccc(C)n21 ZINC000035616074 213042493 /nfs/dbraw/zinc/04/24/93/213042493.db2.gz SYBYXFKPZZFEFT-UHFFFAOYSA-N 0 0 347.374 4.433 50 10 EICARN COc1ccccc1NC(=O)c1cc(C)n(-c2ccccc2F)c1C ZINC000032906297 212866957 /nfs/dbraw/zinc/86/69/57/212866957.db2.gz PCEDFXLEALYPSX-UHFFFAOYSA-N 0 0 338.382 4.494 50 10 EICARN CCn1c2ccccc2nc1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000027923371 212586202 /nfs/dbraw/zinc/58/62/02/212586202.db2.gz MJMJNRZJSNOHNL-UHFFFAOYSA-N 0 0 332.766 4.493 50 10 EICARN O=C1/C(=C\C=C\c2ccco2)SC(=S)N1c1cccc(F)c1 ZINC000027533658 212562200 /nfs/dbraw/zinc/56/22/00/212562200.db2.gz WSPDSCWGDDRJJX-BOAPOFAJSA-N 0 0 331.393 4.381 50 10 EICARN CCc1c(C)c2cc(Cl)c([O-])c(C[N@@H+]3CCC[C@@H](C)C3)c2oc1=O ZINC000020362797 212122957 /nfs/dbraw/zinc/12/29/57/212122957.db2.gz IOJVXSUWACTTBY-LLVKDONJSA-N 0 0 349.858 4.255 50 10 EICARN CCc1c(C)c2cc(Cl)c([O-])c(C[N@@H+]3CCC[C@H](C)C3)c2oc1=O ZINC000020362799 212122888 /nfs/dbraw/zinc/12/28/88/212122888.db2.gz IOJVXSUWACTTBY-NSHDSACASA-N 0 0 349.858 4.255 50 10 EICARN Cc1cccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)n1 ZINC000019842987 212074912 /nfs/dbraw/zinc/07/49/12/212074912.db2.gz JSLNGYONZXJHGQ-FQEVSTJZSA-N 0 0 342.402 4.240 50 10 EICARN Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccnc2)cc1 ZINC000010215392 211153645 /nfs/dbraw/zinc/15/36/45/211153645.db2.gz AHDDVDGOWZWOFF-CTNGQTDRSA-N 0 0 343.386 4.030 50 10 EICARN CSc1ccc(C=C2SC(NC3CCCCC3)=NC2=O)cc1 ZINC000096669689 218886731 /nfs/dbraw/zinc/88/67/31/218886731.db2.gz PTFWDXYYDXJLNP-RVDMUPIBSA-N 0 0 332.494 4.301 50 10 EICARN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)cc1C ZINC000004982630 210347993 /nfs/dbraw/zinc/34/79/93/210347993.db2.gz NNLWHNIICWBYAL-MHWRWJLKSA-N 0 0 341.798 4.073 50 10 EICARN O=C1c2ccccc2C(=O)c2c1ccc(C1CCCCC1)c2[N+](=O)[O-] ZINC000004976871 210346658 /nfs/dbraw/zinc/34/66/58/210346658.db2.gz WRDYBZSIYXYQAG-UHFFFAOYSA-N 0 0 335.359 4.418 50 10 EICARN CCn1cnc2cc(NCc3cccc(Br)c3)ccc21 ZINC000006785634 564097710 /nfs/dbraw/zinc/09/77/10/564097710.db2.gz IKQDUTARGQQXLA-UHFFFAOYSA-N 0 0 330.229 4.431 50 10 EICARN Cc1cccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c1 ZINC000001202815 563378823 /nfs/dbraw/zinc/37/88/23/563378823.db2.gz RRGDRMDEIQXULG-GDNBJRDFSA-N 0 0 327.430 4.106 50 10 EICARN COc1cccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 ZINC000002245452 563427596 /nfs/dbraw/zinc/42/75/96/563427596.db2.gz XDUPZWNOZOBERF-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN COc1cc2c(cc1OC)C[N@H+](Cc1c(O)ccc3ccccc31)CC2 ZINC000005720278 563546948 /nfs/dbraw/zinc/54/69/48/563546948.db2.gz SKHSCOOETIOUBP-UHFFFAOYSA-N 0 0 349.430 4.121 50 10 EICARN CCCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000002666817 563601174 /nfs/dbraw/zinc/60/11/74/563601174.db2.gz LLXJKYOSBDPJCO-QINSGFPZSA-N 0 0 335.494 4.477 50 10 EICARN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=S ZINC000013303617 563694257 /nfs/dbraw/zinc/69/42/57/563694257.db2.gz JNZCDFCSQIEFEE-OWBHPGMISA-N 0 0 336.507 4.058 50 10 EICARN CCc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 ZINC000015011039 563771798 /nfs/dbraw/zinc/77/17/98/563771798.db2.gz VJWVREWKTDRZNT-GDNBJRDFSA-N 0 0 329.446 4.243 50 10 EICARN COC(=O)Nc1c(N)n(-c2ccccc2)nc1N=Nc1ccccc1 ZINC000026688417 563892812 /nfs/dbraw/zinc/89/28/12/563892812.db2.gz IGYZDDXYHZKGRN-QZQOTICOSA-N 0 0 336.355 4.048 50 10 EICARN Cc1ccc(C)n1-c1ncc(Br)cc1Br ZINC000048508602 563930481 /nfs/dbraw/zinc/93/04/81/563930481.db2.gz NZFRWYUFFMEEGT-UHFFFAOYSA-N 0 0 330.023 4.014 50 10 EICARN CCc1cc2c(C)cc(=O)oc2c(C[N@H+]2CCCC[C@@H]2CC)c1[O-] ZINC000000038088 563968575 /nfs/dbraw/zinc/96/85/75/563968575.db2.gz VNJQRLQPSJKPFE-HNNXBMFYSA-N 0 0 329.440 4.134 50 10 biogenic EICARN CCN(CC)c1ccc(/C=C2/OC(=O)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000000173858 563987594 /nfs/dbraw/zinc/98/75/94/563987594.db2.gz JTZFHPWUFGPJOX-WOJGMQOQSA-N 0 0 338.363 4.110 50 10 EICARN O=C1c2ccccc2C(=O)c2c3ncccc3cc(N3CCCCC3)c21 ZINC000005022020 563993844 /nfs/dbraw/zinc/99/38/44/563993844.db2.gz VEBVETAWDAOMDX-UHFFFAOYSA-N 0 0 342.398 4.001 50 10 EICARN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000033739101 563994088 /nfs/dbraw/zinc/99/40/88/563994088.db2.gz NUFDRKSKGRVAMX-JXAWBTAJSA-N 0 0 335.407 4.076 50 10 EICARN Cc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000005174946 563999970 /nfs/dbraw/zinc/99/99/70/563999970.db2.gz JEATUQSXFKCBJS-UHFFFAOYSA-N 0 0 337.448 4.126 50 10 EICARN CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCCC(C)(C)C1 ZINC000005278020 564002298 /nfs/dbraw/zinc/00/22/98/564002298.db2.gz MYSKRSWHUXVBEF-QZQOTICOSA-N 0 0 328.416 4.465 50 10 EICARN COCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S ZINC000005504874 564004779 /nfs/dbraw/zinc/00/47/79/564004779.db2.gz FANOQXHAOLEVFV-FOWTUZBSSA-N 0 0 343.473 4.078 50 10 EICARN CCOC(=O)c1c(C)oc2cc(Sc3ccccc3)c(O)c(O)c21 ZINC000000478514 564013197 /nfs/dbraw/zinc/01/31/97/564013197.db2.gz SNNGDCZBDXHPIL-UHFFFAOYSA-N 0 0 344.388 4.480 50 10 EICARN COC(=O)c1cc(-c2ccccc2)n(-c2cccc3nsnc32)c1C ZINC000000503560 564019198 /nfs/dbraw/zinc/01/91/98/564019198.db2.gz NJJLNLIKKYVQFZ-UHFFFAOYSA-N 0 0 349.415 4.244 50 10 EICARN CN(Cc1ccccc1O)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000047387696 564026224 /nfs/dbraw/zinc/02/62/24/564026224.db2.gz BLCQDNBFBFFPFK-UHFFFAOYSA-N 0 0 339.420 4.180 50 10 EICARN CCc1ccc(C2=C/C(=C\c3ccc(C(=O)OC)cc3)C(=O)O2)cc1 ZINC000033303478 564036643 /nfs/dbraw/zinc/03/66/43/564036643.db2.gz PQSBHKLTZOHJCJ-LDADJPATSA-N 0 0 334.371 4.017 50 10 EICARN Cc1cc(C(=O)NC(C)C)ccc1NCc1cccc(Cl)c1O ZINC000225512833 564047427 /nfs/dbraw/zinc/04/74/27/564047427.db2.gz NGLOQNPPOLLTAW-UHFFFAOYSA-N 0 0 332.831 4.104 50 10 EICARN O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1C1CCCCC1 ZINC000001133220 564054494 /nfs/dbraw/zinc/05/44/94/564054494.db2.gz HMZGZVCPHQMBIF-UVTDQMKNSA-N 0 0 343.477 4.097 50 10 EICARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000001207061 564056434 /nfs/dbraw/zinc/05/64/34/564056434.db2.gz ODRZKEZNAYYEBF-CXUHLZMHSA-N 0 0 342.489 4.200 50 10 EICARN CN(C)c1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1 ZINC000012543554 564058751 /nfs/dbraw/zinc/05/87/51/564058751.db2.gz OOXGMPVGYYGQRR-UHFFFAOYSA-N 0 0 335.432 4.038 50 10 EICARN Cc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1C ZINC000006131683 564076741 /nfs/dbraw/zinc/07/67/41/564076741.db2.gz MSXSRPAOTCXJRI-MHWRWJLKSA-N 0 0 341.457 4.415 50 10 EICARN O=C(c1coc2ccc([O-])c(C[NH+]3CCCCC3)c12)c1ccccc1 ZINC000253403688 564086969 /nfs/dbraw/zinc/08/69/69/564086969.db2.gz HICUMWQCNKZANY-UHFFFAOYSA-N 0 0 335.403 4.355 50 10 EICARN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1ccc(F)cc1 ZINC000001763560 564087374 /nfs/dbraw/zinc/08/73/74/564087374.db2.gz WTBWZRGGRWIKPD-NTEUORMPSA-N 0 0 333.384 4.371 50 10 EICARN Cc1ccc(NC(=O)c2[nH]cnc2NN=C2C=CC(=O)C=C2C)cc1 ZINC000006694326 564096091 /nfs/dbraw/zinc/09/60/91/564096091.db2.gz NPICDUKPAYHLBA-GHVJWSGMSA-N 0 0 335.367 4.400 50 10 EICARN CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3O)=NN21 ZINC000006721580 564096352 /nfs/dbraw/zinc/09/63/52/564096352.db2.gz FRPBVKHZXZXUAP-LPHOPBHVSA-N 0 0 340.448 4.015 50 10 EICARN Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cccnc1 ZINC000006721622 564096373 /nfs/dbraw/zinc/09/63/73/564096373.db2.gz DHHNXUPNZRIEQV-NQIIRXRSSA-N 0 0 343.386 4.030 50 10 EICARN CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc21 ZINC000006912934 564101251 /nfs/dbraw/zinc/10/12/51/564101251.db2.gz RNLDUDPRVPPVPW-UHFFFAOYSA-N 0 0 349.478 4.274 50 10 aggregator EICARN CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)OC)c(N)c3cc2C1 ZINC000013579080 564111802 /nfs/dbraw/zinc/11/18/02/564111802.db2.gz BFZXCCXOKPJFMI-NSHDSACASA-N 0 0 332.469 4.206 50 10 EICARN CCCOc1ccccc1/C=C1/SC(N2CCCCCC2)=NC1=O ZINC000002292607 564131751 /nfs/dbraw/zinc/13/17/51/564131751.db2.gz ALONRKKJLVBFEJ-SAPNQHFASA-N 0 0 344.480 4.322 50 10 EICARN CCCCn1cnc2cc(NCc3cccc(OC)c3O)ccc21 ZINC000002339815 564132420 /nfs/dbraw/zinc/13/24/20/564132420.db2.gz DEJAGSZFGHVFBM-UHFFFAOYSA-N 0 0 325.412 4.163 50 10 EICARN CN(C)c1ccc([C@@H]2SCCN2C(=O)Nc2ccccc2)cc1 ZINC000028232373 564150761 /nfs/dbraw/zinc/15/07/61/564150761.db2.gz YMDQRIPNKFERJL-KRWDZBQOSA-N 0 0 327.453 4.032 50 10 EICARN COc1cccc(O)c1CN(Cc1ccsc1)Cc1cccnc1 ZINC000055211260 214287918 /nfs/dbraw/zinc/28/79/18/214287918.db2.gz LIVZXSJWBNCBJT-UHFFFAOYSA-N 0 0 340.448 4.060 50 10 EICARN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 ZINC000004623395 210233860 /nfs/dbraw/zinc/23/38/60/210233860.db2.gz UWMDMCQMWLCEGN-UVWXRNBGSA-N 0 0 327.771 4.470 50 10 EICARN CN(C)c1ccc(C(O)(c2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000004506047 210207681 /nfs/dbraw/zinc/20/76/81/210207681.db2.gz LXHOGENDFZKPSF-UHFFFAOYSA-N 0 0 346.474 4.103 50 10 EICARN Cc1cc(NC2=NC(=O)C(=Cc3cccnc3)S2)ccc1Cl ZINC000004467819 210194404 /nfs/dbraw/zinc/19/44/04/210194404.db2.gz OCUCGDYXBFHLRY-RIYZIHGNSA-N 0 0 329.812 4.126 50 10 EICARN CCCn1cnc2cc(NCc3ccc(OC)c(OC)c3)ccc21 ZINC000003907444 210091445 /nfs/dbraw/zinc/09/14/45/210091445.db2.gz URGLLWPELGVBME-UHFFFAOYSA-N 0 0 325.412 4.076 50 10 EICARN Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)o1 ZINC000003906240 210090600 /nfs/dbraw/zinc/09/06/00/210090600.db2.gz IAFJMOAOPOBJJO-UHFFFAOYSA-N 0 0 347.374 4.418 50 10 EICARN Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000003899352 210087601 /nfs/dbraw/zinc/08/76/01/210087601.db2.gz YYVSLZVCWAIXJG-UHFFFAOYSA-N 0 0 341.366 4.023 50 10 EICARN Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 ZINC000102907372 219240430 /nfs/dbraw/zinc/24/04/30/219240430.db2.gz AHDDVDGOWZWOFF-PZJWPPBQSA-N 0 0 343.386 4.030 50 10 EICARN O=C1/C(=C/C=C/c2ccco2)SC(=S)N1c1ccccc1F ZINC000002453820 209851357 /nfs/dbraw/zinc/85/13/57/209851357.db2.gz BNRCSUXICFNOHN-OXTPFRESSA-N 0 0 331.393 4.381 50 10 EICARN Cc1ccc(O)c(C(=O)CSc2ncc(-c3ccccc3)n2C)c1 ZINC000001428335 209748255 /nfs/dbraw/zinc/74/82/55/209748255.db2.gz DXRVTPCLSNRCRG-UHFFFAOYSA-N 0 0 338.432 4.076 50 10 EICARN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 ZINC000028286834 212612734 /nfs/dbraw/zinc/61/27/34/212612734.db2.gz HXXNOUBKBALRRM-UHFFFAOYSA-N 0 0 345.446 4.303 50 10 EICARN CN1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCCCCC2)cc1 ZINC000024210719 212413011 /nfs/dbraw/zinc/41/30/11/212413011.db2.gz DHFBYLWEYQIDNS-FQEVSTJZSA-N 0 0 335.451 4.263 50 10 EICARN CCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+]1CCC[C@@H](C)C1 ZINC000020331324 212119848 /nfs/dbraw/zinc/11/98/48/212119848.db2.gz KMDXXIVEURXOTI-GFCCVEGCSA-N 0 0 349.858 4.336 50 10 EICARN CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3O)=NN21 ZINC000020070559 212099795 /nfs/dbraw/zinc/09/97/95/212099795.db2.gz FRPBVKHZXZXUAP-APWZRJJASA-N 0 0 340.448 4.015 50 10 EICARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1 ZINC000013476478 211564028 /nfs/dbraw/zinc/56/40/28/211564028.db2.gz NQIBXBASJXCFSZ-GXDHUFHOSA-N 0 0 342.401 4.001 50 10 EICARN CC(C)(C)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000012436600 211379236 /nfs/dbraw/zinc/37/92/36/211379236.db2.gz YUHLWPHSONRAES-SSZFMOIBSA-N 0 0 328.481 4.440 50 10 EICARN COc1cc(Cl)cc(/C=C2\SC(c3ccccc3)=NC2=O)c1O ZINC000012418314 211374984 /nfs/dbraw/zinc/37/49/84/211374984.db2.gz GLHVXTUPIGWXRE-ZSOIEALJSA-N 0 0 345.807 4.115 50 10 EICARN Cc1nc2ncccc2c(NCc2ccc(N3CCC[C@@H](C)C3)cc2)n1 ZINC000095391483 218322796 /nfs/dbraw/zinc/32/27/96/218322796.db2.gz TUSKLKBQDPIUDY-OAHLLOKOSA-N 0 0 347.466 4.182 50 10 EICARN CC(C)CN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S ZINC000005497840 210475766 /nfs/dbraw/zinc/47/57/66/210475766.db2.gz UVGUWKMUKNEOOT-WUXMJOGZSA-N 0 0 329.849 4.336 50 10 EICARN COc1ccc(NC=C2C(C)=NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000005334175 210440946 /nfs/dbraw/zinc/44/09/46/210440946.db2.gz JBSGMBNEWWAYLI-UNOMPAQXSA-N 0 0 335.407 4.031 50 10 EICARN CSCC[C@H](Nc1c2ccccc2[nH+]c2ccccc21)C(=O)[O-] ZINC000005298451 210435122 /nfs/dbraw/zinc/43/51/22/210435122.db2.gz LLLRABBEOQIEED-INIZCTEOSA-N 0 0 326.421 4.006 50 10 EICARN COC(=O)CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S ZINC000005010054 210361191 /nfs/dbraw/zinc/36/11/91/210361191.db2.gz JMFUIAZISDVFJU-WYMLVPIESA-N 0 0 349.477 4.257 50 10 EICARN O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O ZINC000004867383 210306429 /nfs/dbraw/zinc/30/64/29/210306429.db2.gz MXARHCNPZVFDSB-KRWDZBQOSA-N 0 0 348.427 4.445 50 10 EICARN CCCC(O)(CCC)C(=O)N=NC1c2ccccc2N(CC)C1=O ZINC000004553231 258051044 /nfs/dbraw/zinc/05/10/44/258051044.db2.gz BSUSSHDDLIAKSK-FMQUCBEESA-N 0 0 331.416 4.308 50 10 EICARN COc1ccc(-n2c(C)cc(C(=O)N3CCCCCC3)c2C)cc1 ZINC000027026246 258057869 /nfs/dbraw/zinc/05/78/69/258057869.db2.gz BCXSKRJFBYQPKA-UHFFFAOYSA-N 0 0 326.440 4.119 50 10 EICARN COc1ccc(N(C)Cc2nnc(-c3cccc(Cl)c3)o2)cc1F ZINC000121745319 221921011 /nfs/dbraw/zinc/92/10/11/221921011.db2.gz ROYBSENYTFOBKW-UHFFFAOYSA-N 0 0 347.777 4.174 50 10 EICARN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1 ZINC000000357263 563291579 /nfs/dbraw/zinc/29/15/79/563291579.db2.gz QXIAEQPEFYAFEE-UHFFFAOYSA-N 0 0 347.823 4.308 50 10 EICARN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccccc1 ZINC000000432547 563311470 /nfs/dbraw/zinc/31/14/70/563311470.db2.gz CTFIZQPTWQLNME-UVTDQMKNSA-N 0 0 327.177 4.430 50 10 EICARN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000446496 563317322 /nfs/dbraw/zinc/31/73/22/563317322.db2.gz AGDKNHSEXSYVSM-MDWZMJQESA-N 0 0 327.723 4.230 50 10 EICARN Cc1cccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c1C ZINC000001208940 563379179 /nfs/dbraw/zinc/37/91/79/563379179.db2.gz CPGQCJQJTTUUSM-YBEGLDIGSA-N 0 0 341.457 4.415 50 10 EICARN CCCCn1c2ccccc2nc1NCc1cccc(OC)c1O ZINC000001840873 563413755 /nfs/dbraw/zinc/41/37/55/563413755.db2.gz GFIAIAJKOHKFPX-UHFFFAOYSA-N 0 0 325.412 4.163 50 10 EICARN CCCOc1ccccc1/C=C1/SC(N2CCC(C)CC2)=NC1=O ZINC000002811860 563451903 /nfs/dbraw/zinc/45/19/03/563451903.db2.gz LATXBSXPJNWJMM-GHRIWEEISA-N 0 0 344.480 4.178 50 10 EICARN COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000003137267 563474296 /nfs/dbraw/zinc/47/42/96/563474296.db2.gz QDBYNJYDFDPHLN-WJDWOHSUSA-N 0 0 341.457 4.409 50 10 EICARN O=C1/C(=C\c2ccccc2)SC(=S)N1CCc1ccccc1 ZINC000005736552 563548152 /nfs/dbraw/zinc/54/81/52/563548152.db2.gz OXUMWMCJBWOBKY-DTQAZKPQSA-N 0 0 325.458 4.131 50 10 EICARN O=C1/C(=C\c2cccs2)SC(=S)N1CCc1ccccc1 ZINC000006111560 563559069 /nfs/dbraw/zinc/55/90/69/563559069.db2.gz LAEQRWPPVPGVRK-SDNWHVSQSA-N 0 0 331.487 4.192 50 10 EICARN Cn1cccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O ZINC000013768863 563722152 /nfs/dbraw/zinc/72/21/52/563722152.db2.gz SKHBWDKATKDXDQ-LCYFTJDESA-N 0 0 334.853 4.084 50 10 EICARN CN(C)c1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000015016118 563772444 /nfs/dbraw/zinc/77/24/44/563772444.db2.gz YZZYBYPBJZSIIN-DHDCSXOGSA-N 0 0 343.224 4.008 50 10 EICARN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000015134083 563778661 /nfs/dbraw/zinc/77/86/61/563778661.db2.gz SLINMSRSTKXUCI-BOPFTXTBSA-N 0 0 325.799 4.367 50 10 EICARN O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1cccc(O)c1 ZINC000005178516 564000039 /nfs/dbraw/zinc/00/00/39/564000039.db2.gz GVZJXROGQXXXMJ-RIYZIHGNSA-N 0 0 347.848 4.451 50 10 EICARN CCn1c(/C=C/c2c[nH]c3ccc(OC)cc23)nc2ccccc2c1=O ZINC000005500788 564004866 /nfs/dbraw/zinc/00/48/66/564004866.db2.gz AIWKEJVEICOYAY-DHZHZOJOSA-N 0 0 345.402 4.077 50 10 EICARN O=C1c2ccccc2N=NC(c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000005379056 564005867 /nfs/dbraw/zinc/00/58/67/564005867.db2.gz KBXCFGWGGHJZPZ-UHFFFAOYSA-N 0 0 343.342 4.004 50 10 EICARN Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2CC(C)C)cc1 ZINC000044085819 564059532 /nfs/dbraw/zinc/05/95/32/564059532.db2.gz RGNVVAWTSFYJFZ-UHFFFAOYSA-N 0 0 345.512 4.131 50 10 EICARN COc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 ZINC000001232252 564061686 /nfs/dbraw/zinc/06/16/86/564061686.db2.gz KIWCROIEUJZDSB-GDNBJRDFSA-N 0 0 345.420 4.240 50 10 EICARN Cc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)s1 ZINC000001246725 564062702 /nfs/dbraw/zinc/06/27/02/564062702.db2.gz MXCWEISVULJATE-UKTHLTGXSA-N 0 0 342.445 4.037 50 10 EICARN COc1ccc(N(C)Cc2cc(-c3cccs3)on2)cc1OC ZINC000063617010 564073494 /nfs/dbraw/zinc/07/34/94/564073494.db2.gz PYRMZZNIOIQTLZ-UHFFFAOYSA-N 0 0 330.409 4.057 50 10 EICARN CCNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006737965 564096758 /nfs/dbraw/zinc/09/67/58/564096758.db2.gz GIULKFJVTUUVMD-UHFFFAOYSA-N 0 0 333.391 4.071 50 10 EICARN CCc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000006780874 564097613 /nfs/dbraw/zinc/09/76/13/564097613.db2.gz JGOVZWSRMQBEIV-UHFFFAOYSA-N 0 0 346.430 4.478 50 10 EICARN COc1ccc(-c2ccc3c(N)c(C(=O)OC(C)C)sc3n2)cc1 ZINC000006858945 564099748 /nfs/dbraw/zinc/09/97/48/564099748.db2.gz GUVKWMFBHQUPQE-UHFFFAOYSA-N 0 0 342.420 4.119 50 10 EICARN O=C1c2ccccc2C(=O)C1(Nc1ccc(F)cc1F)c1ccccc1 ZINC000007000591 564102779 /nfs/dbraw/zinc/10/27/79/564102779.db2.gz UUQJOFGLKUWBNP-UHFFFAOYSA-N 0 0 349.336 4.351 50 10 EICARN CN(Cc1ccccc1O)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000042116737 564110705 /nfs/dbraw/zinc/11/07/05/564110705.db2.gz GRXSNXRKWPJMMX-UHFFFAOYSA-N 0 0 345.398 4.493 50 10 EICARN CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(C)c(C)c(=O)oc2c(C)c1[O-] ZINC000002129080 564118539 /nfs/dbraw/zinc/11/85/39/564118539.db2.gz PVFHAIYAMFDFJK-MRXNPFEDSA-N 0 0 329.440 4.188 50 10 biogenic EICARN CN(C)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000005318669 564119426 /nfs/dbraw/zinc/11/94/26/564119426.db2.gz SLWDOGZEPOJHTK-UHFFFAOYSA-N 0 0 339.402 4.392 50 10 EICARN Cc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1C ZINC000013284512 564136158 /nfs/dbraw/zinc/13/61/58/564136158.db2.gz OUPIOBYVPCHIEQ-GDNBJRDFSA-N 0 0 326.446 4.104 50 10 EICARN Cn1cc(/C=C/C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000096297692 564146601 /nfs/dbraw/zinc/14/66/01/564146601.db2.gz QGARDIXZNSHTSI-QYTZNIGLSA-N 0 0 331.379 4.487 50 10 EICARN CC/C(C)=C1\SC(=S)N(C(=O)c2ccc(Cl)cc2)C1=O ZINC000032178499 564176395 /nfs/dbraw/zinc/17/63/95/564176395.db2.gz WOVGKQMZMBPNSD-FLIBITNWSA-N 0 0 325.842 4.025 50 10 EICARN CCCCN(CCCC)c1ccc(/C=C2/SC(=N)NC2=O)cc1 ZINC000005764830 568418091 /nfs/dbraw/zinc/41/80/91/568418091.db2.gz QPNWEMJEXIILSQ-DTQAZKPQSA-N 0 0 331.485 4.232 50 10 EICARN