smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOc1ccccc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000002312217 201529449 /nfs/dbraw/zinc/52/94/49/201529449.db2.gz VEMDBKVPGVVQLP-DTQAZKPQSA-N 0 0 346.452 3.168 50 10 EGCARN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCc1cccnc1 ZINC000100111189 203989751 /nfs/dbraw/zinc/98/97/51/203989751.db2.gz YSCVXXTZFRXHCK-GHRIWEEISA-N 0 0 338.386 3.397 50 10 EGCARN O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccc(O)cc1 ZINC000001236450 205574100 /nfs/dbraw/zinc/57/41/00/205574100.db2.gz QOWKVWKLDKVTBD-ZSOIEALJSA-N 0 0 329.333 3.044 50 10 EGCARN COC(=O)C1=CN(c2ccc(C)c(C)c2)c2ccccc2S1(=O)=O ZINC000064979130 132807116 /nfs/dbraw/zinc/80/71/16/132807116.db2.gz WYJXWYHAMZUZDB-UHFFFAOYSA-N 0 0 343.404 3.243 50 10 EGCARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1OCCc1ccccc1 ZINC000004007948 135661678 /nfs/dbraw/zinc/66/16/78/135661678.db2.gz TUJYLLGQQBBYRD-UHFFFAOYSA-N 0 0 328.368 3.053 50 10 EGCARN Cc1ccc(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)s1 ZINC000015798895 292040152 /nfs/dbraw/zinc/04/01/52/292040152.db2.gz MUGBSZHJWSFDDT-UVTDQMKNSA-N 0 0 342.445 3.230 50 10 EGCARN COc1ccc(N2CCN(C(=O)[C@]3(C)CCCCO3)CC2(C)C)cc1 ZINC000091915112 286325570 /nfs/dbraw/zinc/32/55/70/286325570.db2.gz UPWGQZJGDOEVOQ-FQEVSTJZSA-N 0 0 346.471 3.082 50 10 EGCARN CCN1c2ccccc2S/C1=C/C=C1C(=O)OC(C)(C)OC1=O ZINC000000028044 452492619 /nfs/dbraw/zinc/49/26/19/452492619.db2.gz NFWJPFQJTCZGAA-GXDHUFHOSA-N 0 0 331.393 3.223 50 10 EGCARN CCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001214828 452646056 /nfs/dbraw/zinc/64/60/56/452646056.db2.gz HEJUAYRNNNXEMF-QBFSEMIESA-N 0 0 335.450 3.231 50 10 EGCARN CC[C@H](C)N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S ZINC000006830084 452995894 /nfs/dbraw/zinc/99/58/94/452995894.db2.gz HSMILGRKQZFRQJ-HOXUKUGESA-N 0 0 341.436 3.015 50 10 EGCARN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccccc1 ZINC000010113199 453274330 /nfs/dbraw/zinc/27/43/30/453274330.db2.gz BTBARNVGVIOYEJ-UHFFFAOYSA-N 0 0 330.453 3.155 50 10 EGCARN O=S(=O)(Nc1ccc(Cl)cc1F)c1cccc2nsnc21 ZINC000014256168 453526342 /nfs/dbraw/zinc/52/63/42/453526342.db2.gz USKJJUBQIVCFHL-UHFFFAOYSA-N 0 0 343.792 3.285 50 10 EGCARN C[C@H](NC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000065278658 454547168 /nfs/dbraw/zinc/54/71/68/454547168.db2.gz GTKMZWGMSRPZQV-HNNXBMFYSA-N 0 0 325.412 3.406 50 10 EGCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1c[nH]cn1 ZINC000604406204 460422055 /nfs/dbraw/zinc/42/20/55/460422055.db2.gz ZDHJEHIXROCNAQ-UHFFFAOYSA-N 0 0 341.370 3.179 50 10 biogenic EGCARN CC1CCN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)CC1 ZINC000004455810 201601965 /nfs/dbraw/zinc/60/19/65/201601965.db2.gz CQIRARNWTQEICQ-FOWTUZBSSA-N 0 0 329.469 3.455 50 10 EGCARN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccnc1 ZINC000004151783 201591535 /nfs/dbraw/zinc/59/15/35/201591535.db2.gz GEGGTBIWOGMWQL-UHFFFAOYSA-N 0 0 328.327 3.109 50 10 EGCARN COc1cc([C@H]2CC(c3cc(C)ccc3O)=NN2)cc(OC)c1OC ZINC000000115300 205407823 /nfs/dbraw/zinc/40/78/23/205407823.db2.gz QAAUBKURVOSUGT-CQSZACIVSA-N 0 0 342.395 3.165 50 10 EGCARN CC1(C)OC(=O)C(=CN=c2[nH]c3ccc(Cl)cc3s2)C(=O)O1 ZINC000013999626 276154841 /nfs/dbraw/zinc/15/48/41/276154841.db2.gz XPBFZGLGLTXURU-UHFFFAOYSA-N 0 0 338.772 3.082 50 10 EGCARN CCN1c2cc(Cl)ccc2S/C1=C1\SC(=S)N(N)C1=O ZINC000033286147 276254334 /nfs/dbraw/zinc/25/43/34/276254334.db2.gz SMQUAUGTPDMGCX-LUAWRHEFSA-N 0 0 343.886 3.175 50 10 EGCARN O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1ccc(O)cc1 ZINC000000039285 452495957 /nfs/dbraw/zinc/49/59/57/452495957.db2.gz QICNHAKVGSJKIJ-BOPFTXTBSA-N 0 0 336.416 3.421 50 10 EGCARN CC1(C)OC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O1 ZINC000000062940 452496148 /nfs/dbraw/zinc/49/61/48/452496148.db2.gz PYPZYMUJOUCXFT-UHFFFAOYSA-N 0 0 343.291 3.074 50 10 EGCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Br)o1 ZINC000000087822 452504058 /nfs/dbraw/zinc/50/40/58/452504058.db2.gz XBIFBPHYLBGVJC-UHFFFAOYSA-N 0 0 341.157 3.186 50 10 EGCARN COc1cccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c1 ZINC000001297015 452651377 /nfs/dbraw/zinc/65/13/77/452651377.db2.gz CXLPNUHJHLZOIG-ZSOIEALJSA-N 0 0 328.418 3.496 50 10 EGCARN O=C(c1ccccc1)c1ccccc1NC(=S)NC[C@@H]1CCCO1 ZINC000002779585 452722385 /nfs/dbraw/zinc/72/23/85/452722385.db2.gz DSGWOIWUPVBSNM-HNNXBMFYSA-N 0 0 340.448 3.383 50 10 EGCARN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1C ZINC000004689198 452813093 /nfs/dbraw/zinc/81/30/93/452813093.db2.gz SRFWDZDDISILEY-IAOKNECISA-N 0 0 336.482 3.022 50 10 EGCARN Cc1ccc(C)c(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3[O-])CC2)c1 ZINC000004980538 452829566 /nfs/dbraw/zinc/82/95/66/452829566.db2.gz BWTHANIRQQBTEV-UHFFFAOYSA-N 0 0 341.411 3.239 50 10 EGCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)cc2)c1 ZINC000006715825 452975868 /nfs/dbraw/zinc/97/58/68/452975868.db2.gz GAOUSZNFPSANFE-UHFFFAOYSA-N 0 0 326.396 3.093 50 10 EGCARN CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(N)C1=O ZINC000015016274 453551736 /nfs/dbraw/zinc/55/17/36/453551736.db2.gz WGZLNRWZAVSGGX-ZROIWOOFSA-N 0 0 330.434 3.313 50 10 EGCARN COc1ccc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000020716810 453668966 /nfs/dbraw/zinc/66/89/66/453668966.db2.gz PDSCTZJKHUOENS-UHFFFAOYSA-N 0 0 346.434 3.479 50 10 EGCARN CCOc1cc2c(cc1/C=C1\C(=O)NN(c3ccccc3)C1=O)CCC2 ZINC000095471140 454218618 /nfs/dbraw/zinc/21/86/18/454218618.db2.gz XGVPLPSOELDLOP-LDADJPATSA-N 0 0 348.402 3.035 50 10 EGCARN COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)c(OC)c1 ZINC000038493608 202139022 /nfs/dbraw/zinc/13/90/22/202139022.db2.gz JEVHCNDRWVVDEM-KRWDZBQOSA-N 0 0 340.379 3.107 50 10 EGCARN Nc1ccc(Cn2cnc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 ZINC000071775241 203112358 /nfs/dbraw/zinc/11/23/58/203112358.db2.gz KNEQNEKHMIWBTB-UHFFFAOYSA-N 0 0 328.322 3.044 50 10 EGCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCc1cccs1 ZINC000100149125 203989591 /nfs/dbraw/zinc/98/95/91/203989591.db2.gz LAIBYLOOLVVBTK-XNTDXEJSSA-N 0 0 342.380 3.053 50 10 EGCARN COc1cc(OC)cc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000010113506 211148662 /nfs/dbraw/zinc/14/86/62/211148662.db2.gz HPKJRALEOQVQPM-UHFFFAOYSA-N 0 0 340.423 3.234 50 10 EGCARN COc1ccc(-c2cc(=O)oc3c2ccc([O-])c3C[NH+](C)C)cc1 ZINC000000489310 286263505 /nfs/dbraw/zinc/26/35/05/286263505.db2.gz SYQNMKJNHOOKKQ-UHFFFAOYSA-N 0 0 325.364 3.236 50 10 biogenic EGCARN COc1ccc(N2CCN(c3ncnc4[nH]ccc43)CC2(C)C)cc1 ZINC000077355004 274113471 /nfs/dbraw/zinc/11/34/71/274113471.db2.gz VAMAZCBRERKHPM-UHFFFAOYSA-N 0 0 337.427 3.072 50 10 EGCARN CCCN1c2ccccc2/C(=C2/SC(=S)N(C(C)C)C2=O)C1=O ZINC000012411124 276014717 /nfs/dbraw/zinc/01/47/17/276014717.db2.gz DBWQGUALRHFFEM-YPKPFQOOSA-N 0 0 346.477 3.423 50 10 EGCARN CCN1c2ccccc2/C(=C2/SC(=S)N(C(C)C)C2=O)C1=O ZINC000013774705 276254683 /nfs/dbraw/zinc/25/46/83/276254683.db2.gz WPSMIMMWJIMRSS-SEYXRHQNSA-N 0 0 332.450 3.033 50 10 EGCARN Cc1cc2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3c2cc1C ZINC000000234582 280707006 /nfs/dbraw/zinc/70/70/06/280707006.db2.gz GSIQTMYTJDAWDX-WQRHYEAKSA-N 0 0 349.459 3.140 50 10 EGCARN O=C1N=C(N2CCOCC2)S/C1=C\c1c(Cl)cccc1Cl ZINC000013633083 304655214 /nfs/dbraw/zinc/65/52/14/304655214.db2.gz IIYQOSQAHZSRFD-WQLSENKSSA-N 0 0 343.235 3.296 50 10 EGCARN CC1(C)OC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O1 ZINC000000062943 452496096 /nfs/dbraw/zinc/49/60/96/452496096.db2.gz ZXJSUSMCNDMRCW-UHFFFAOYSA-N 0 0 343.291 3.074 50 10 EGCARN CCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001750272 452677288 /nfs/dbraw/zinc/67/72/88/452677288.db2.gz NPZNAWVJWASSOP-QBFSEMIESA-N 0 0 335.450 3.231 50 10 EGCARN CCCCN1C(=O)C(=Cc2ccco2)C(=O)N(CCCC)C1=S ZINC000002178726 452687319 /nfs/dbraw/zinc/68/73/19/452687319.db2.gz VFOUWJUHHKAUOJ-UHFFFAOYSA-N 0 0 334.441 3.219 50 10 EGCARN Nc1ccc(Cc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2)cc1 ZINC000003096513 452742326 /nfs/dbraw/zinc/74/23/26/452742326.db2.gz SXKBQLZMICXHNV-JSJNYSNDSA-N 0 0 344.414 3.171 50 10 EGCARN COc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1OC ZINC000004247919 452797218 /nfs/dbraw/zinc/79/72/18/452797218.db2.gz BRJHFSUBEVXWDJ-QGZVFWFLSA-N 0 0 340.379 3.107 50 10 EGCARN O=c1oc2c(ccc([O-])c2C[NH2+]Cc2cccnc2)c2c1CCCC2 ZINC000005352956 452862404 /nfs/dbraw/zinc/86/24/04/452862404.db2.gz NMKOVBDYYOIYNE-UHFFFAOYSA-N 0 0 336.391 3.062 50 10 EGCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2C)c1 ZINC000006715853 452975168 /nfs/dbraw/zinc/97/51/68/452975168.db2.gz HLYJYEBRBUGVFF-UHFFFAOYSA-N 0 0 326.396 3.093 50 10 EGCARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Oc1cccc3cccnc31)C(=O)C2=O ZINC000006760243 452984939 /nfs/dbraw/zinc/98/49/39/452984939.db2.gz JLGLQCSANJATHP-UXHICEINSA-N 0 0 337.375 3.105 50 10 EGCARN CCCCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S ZINC000006783102 452988122 /nfs/dbraw/zinc/98/81/22/452988122.db2.gz LDVMZYSCILTYLH-UVTDQMKNSA-N 0 0 341.436 3.016 50 10 EGCARN COc1ccccc1N[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O ZINC000012112994 453345417 /nfs/dbraw/zinc/34/54/17/453345417.db2.gz MGHUEOWJPPKEAS-CQSZACIVSA-N 0 0 332.356 3.472 50 10 EGCARN CC(C)(C)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 ZINC000012365007 453357216 /nfs/dbraw/zinc/35/72/16/453357216.db2.gz BERNZRBKZLKWTM-QINSGFPZSA-N 0 0 330.453 3.287 50 10 EGCARN COc1ccc2[nH]c3c(c2c1)CN(Cc1cccc(OC)c1O)CC3 ZINC000067459287 453932961 /nfs/dbraw/zinc/93/29/61/453932961.db2.gz CKVORSJMYAQPMN-UHFFFAOYSA-N 0 0 338.407 3.449 50 10 EGCARN COc1cccc(C2=C[C@H](c3ccc(N(C)C)cc3)N3NN=NC3=N2)c1 ZINC000100572657 454466219 /nfs/dbraw/zinc/46/62/19/454466219.db2.gz SPFCYRLNZYUMOX-GOSISDBHSA-N 0 0 348.410 3.400 50 10 EGCARN CN(C)c1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 ZINC000019201869 202000055 /nfs/dbraw/zinc/00/00/55/202000055.db2.gz UAHWOSWEAZXHNL-FOWTUZBSSA-N 0 0 345.468 3.232 50 10 EGCARN N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN21 ZINC000005478153 283268969 /nfs/dbraw/zinc/26/89/69/283268969.db2.gz CTDNYFUVTGMEON-REBVZNNKSA-N 0 0 342.277 3.007 50 10 EGCARN COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1O ZINC000000024632 201055888 /nfs/dbraw/zinc/05/58/88/201055888.db2.gz YUSYSJSHVJULID-WAYWQWQTSA-N 0 0 332.352 3.303 50 10 in-vitro EGCARN COc1ccccc1N[C@@H]1SC(=S)N(c2ccccc2)C1=O ZINC000004598786 201606901 /nfs/dbraw/zinc/60/69/01/201606901.db2.gz QIUDXBWKAKGLJH-CQSZACIVSA-N 0 0 330.434 3.498 50 10 EGCARN Nc1ccc(Cn2cnc(C(=O)Nc3ccc(F)cc3F)c2)cc1 ZINC000071775341 203112350 /nfs/dbraw/zinc/11/23/50/203112350.db2.gz PVNGLLSXKYTXBV-UHFFFAOYSA-N 0 0 328.322 3.044 50 10 EGCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C[C@@H](C)O1 ZINC000096346687 203890595 /nfs/dbraw/zinc/89/05/95/203890595.db2.gz VLXIBVNWZXDCMT-BPRHIIMESA-N 0 0 342.873 3.481 50 10 EGCARN CCc1ccc(NC=C2SC(=S)N(CCCOC)C2=O)cc1 ZINC000101193031 204001759 /nfs/dbraw/zinc/00/17/59/204001759.db2.gz FSIXPMKLBGBVED-SDNWHVSQSA-N 0 0 336.482 3.399 50 10 EGCARN O=C1NC(=Nc2ccccn2)SC1=CC1=Cc2ccccc2OC1 ZINC000013727316 296355021 /nfs/dbraw/zinc/35/50/21/296355021.db2.gz RPVFJLVGNTVTIC-XNTDXEJSSA-N 0 0 335.388 3.483 50 10 EGCARN CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1O ZINC000000092205 452504534 /nfs/dbraw/zinc/50/45/34/452504534.db2.gz NDLKFPMNNCWJOC-UHFFFAOYSA-N 0 0 334.368 3.037 50 10 EGCARN Oc1ccc(F)cc1C1=NN[C@H](c2cc(Cl)cc3c2OCOC3)C1 ZINC000000311789 452560498 /nfs/dbraw/zinc/56/04/98/452560498.db2.gz NBAOMQAWXLLMCX-HNNXBMFYSA-N 0 0 348.761 3.490 50 10 EGCARN COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccco1 ZINC000000313373 452562863 /nfs/dbraw/zinc/56/28/63/452562863.db2.gz JMCXIJDCMYOJES-LGMDPLHJSA-N 0 0 337.375 3.195 50 10 EGCARN Cc1c(NCc2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C ZINC000000547929 452619603 /nfs/dbraw/zinc/61/96/03/452619603.db2.gz AYZMROZHTRVBCA-UHFFFAOYSA-N 0 0 343.814 3.456 50 10 EGCARN CCn1cc(C=C2C(=O)NC(=S)N(CC)C2=O)c2ccccc21 ZINC000001275107 452651687 /nfs/dbraw/zinc/65/16/87/452651687.db2.gz AXMUDWARPFOUQA-UKTHLTGXSA-N 0 0 327.409 3.148 50 10 EGCARN COc1ccc(-c2cc3ccc([O-])c(C[NH+](C)C)c3oc2=O)cc1 ZINC000001317654 452653895 /nfs/dbraw/zinc/65/38/95/452653895.db2.gz KZCBOUHIFTXFEF-UHFFFAOYSA-N 0 0 325.364 3.236 50 10 biogenic EGCARN COc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 ZINC000004456974 452805235 /nfs/dbraw/zinc/80/52/35/452805235.db2.gz PQEZQIJHCYNLMT-NTEUORMPSA-N 0 0 328.418 3.496 50 10 EGCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C[C@@H](C)O1 ZINC000004676785 452812498 /nfs/dbraw/zinc/81/24/98/452812498.db2.gz JBFRKTYSNJDQCQ-QOWMEECXSA-N 0 0 336.844 3.420 50 10 EGCARN C[C@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C[C@H](C)O1 ZINC000004676782 452812583 /nfs/dbraw/zinc/81/25/83/452812583.db2.gz JBFRKTYSNJDQCQ-ZCJISOJFSA-N 0 0 336.844 3.420 50 10 EGCARN COCCCNC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000004999681 452829461 /nfs/dbraw/zinc/82/94/61/452829461.db2.gz GJVKGNNUIPQYMO-MNDPQUGUSA-N 0 0 349.434 3.338 50 10 EGCARN O=c1oc2c(ccc([O-])c2C[NH2+]Cc2ccccn2)c2ccccc12 ZINC000005354442 452863775 /nfs/dbraw/zinc/86/37/75/452863775.db2.gz JKDFJWRAHKTZLP-UHFFFAOYSA-N 0 0 332.359 3.337 50 10 EGCARN CC1=NN(c2nc3ccccc3[nH]2)C(=O)C1=CNc1ccc(F)cc1 ZINC000100429164 454465759 /nfs/dbraw/zinc/46/57/59/454465759.db2.gz UUPBXDYIDJHFDJ-GXDHUFHOSA-N 0 0 335.342 3.421 50 10 EGCARN COc1ccc(N2CCN(C(=O)CSc3ccccc3)CC2)cc1 ZINC000000533101 536682195 /nfs/dbraw/zinc/68/21/95/536682195.db2.gz TWVXNXCPVXTORO-UHFFFAOYSA-N 0 0 342.464 3.136 50 10 EGCARN COC(=O)C1=CN(c2cccc(C)c2)c2cc(F)ccc2S1(=O)=O ZINC000064979174 283745526 /nfs/dbraw/zinc/74/55/26/283745526.db2.gz DTQRVUJEEKBPON-UHFFFAOYSA-N 0 0 347.367 3.074 50 10 EGCARN CC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O ZINC000000270220 201456626 /nfs/dbraw/zinc/45/66/26/201456626.db2.gz ZURFVLHJCDOQBK-SFHVURJKSA-N 0 0 335.407 3.232 50 10 EGCARN CN1C=CC=C/C1=C1/SC(=S)N(CCc2ccccc2)C1=O ZINC000004519813 201605286 /nfs/dbraw/zinc/60/52/86/201605286.db2.gz VBVHPJDCBSPXIM-PFONDFGASA-N 0 0 328.462 3.316 50 10 EGCARN COCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000005878998 201666704 /nfs/dbraw/zinc/66/67/04/201666704.db2.gz QLXQXKCMPZYOMR-QGOAFFKASA-N 0 0 335.407 3.185 50 10 EGCARN COc1cccc(C=C2SC(Nc3cccnc3)=NC2=O)c1OC ZINC000005375841 201648843 /nfs/dbraw/zinc/64/88/43/201648843.db2.gz DTMKRZJKXSWLNM-NTEUORMPSA-N 0 0 341.392 3.181 50 10 EGCARN CC(C)CNC(=O)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000095480872 203749716 /nfs/dbraw/zinc/74/97/16/203749716.db2.gz IWMPTBPUBISZJR-UHFFFAOYSA-N 0 0 346.386 3.101 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)no3)[C@H](C)C2)cc1 ZINC000020868927 135722666 /nfs/dbraw/zinc/72/26/66/135722666.db2.gz QNSLWSRPFWWUNW-CQSZACIVSA-N 0 0 343.427 3.158 50 10 EGCARN CCO[C@@H](C)C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000000409894 286192640 /nfs/dbraw/zinc/19/26/40/286192640.db2.gz PMJDTFSDLMPJPT-INIZCTEOSA-N 0 0 342.483 3.480 50 10 EGCARN CC(=O)Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O ZINC000005553296 275489382 /nfs/dbraw/zinc/48/93/82/275489382.db2.gz IEFIRFASAAHCOS-UHFFFAOYSA-N 0 0 344.164 3.183 50 10 EGCARN CCOC(=O)c1c2cc(C)ccn2c2c1C(=O)c1ccccc1C2=O ZINC000000505564 276296809 /nfs/dbraw/zinc/29/68/09/276296809.db2.gz MCSUUWAXVCCGQU-UHFFFAOYSA-N 0 0 333.343 3.200 50 10 biogenic EGCARN CCN1C(=O)/C(=C2\C=Cc3cc(OC)ccc3N2C)SC1=S ZINC000000973254 452639464 /nfs/dbraw/zinc/63/94/64/452639464.db2.gz NMZABWNMJRUGQG-YPKPFQOOSA-N 0 0 332.450 3.250 50 10 EGCARN CCCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2C)C1=O ZINC000003901126 452788717 /nfs/dbraw/zinc/78/87/17/452788717.db2.gz BJZFEOTUEBKDMJ-SSZFMOIBSA-N 0 0 345.402 3.231 50 10 EGCARN Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1CCO ZINC000004171176 452795345 /nfs/dbraw/zinc/79/53/45/452795345.db2.gz QDUBOZBRAPZKDO-ZHACJKMWSA-N 0 0 345.402 3.349 50 10 EGCARN CCOc1ccc2nc(NC3=NC(C)(C)C=C(C)N3)nc(C)c2c1 ZINC000005593104 452886363 /nfs/dbraw/zinc/88/63/63/452886363.db2.gz LQJFOLOHSFCUQS-UHFFFAOYSA-N 0 0 325.416 3.390 50 10 aggregator EGCARN CC[C@@H](C)N1C(=O)C(=CNc2ccc(C(C)C)cc2)C(=O)NC1=S ZINC000009245526 453248583 /nfs/dbraw/zinc/24/85/83/453248583.db2.gz ZPLFBQVTNPVFLV-DYTQJMLRSA-N 0 0 345.468 3.148 50 10 EGCARN COc1ccc(/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)c(OC)c1 ZINC000012417771 453360809 /nfs/dbraw/zinc/36/08/09/453360809.db2.gz LJVUOLOTIYCBAX-GFQQVXNGSA-N 0 0 346.452 3.406 50 10 EGCARN O=C(Oc1ccc(/C=C2\SC(=S)NC2=O)cc1)c1cccs1 ZINC000016247650 453598909 /nfs/dbraw/zinc/59/89/09/453598909.db2.gz UFUYIQQDEKXAMV-WQLSENKSSA-N 0 0 347.442 3.456 50 10 EGCARN CCN(CC)C(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000039930307 453945738 /nfs/dbraw/zinc/94/57/38/453945738.db2.gz GAUBSTRMZGDCQE-UHFFFAOYSA-N 0 0 335.403 3.262 50 10 EGCARN O=C1C(=CNCc2cccnc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000100329270 454465560 /nfs/dbraw/zinc/46/55/60/454465560.db2.gz KPJZFUCORFQXOD-KAMYIIQDSA-N 0 0 346.312 3.020 50 10 EGCARN COc1cccc(C2=C[C@@H](c3ccc(N(C)C)cc3)N3NN=NC3=N2)c1 ZINC000100572654 454466401 /nfs/dbraw/zinc/46/64/01/454466401.db2.gz SPFCYRLNZYUMOX-SFHVURJKSA-N 0 0 348.410 3.400 50 10 EGCARN Nc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12 ZINC000004347949 546508449 /nfs/dbraw/zinc/50/84/49/546508449.db2.gz WMEUHDPAOLMAES-FMQUCBEESA-N 0 0 326.381 3.485 50 10 EGCARN CCOc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1OC ZINC000004694793 210250201 /nfs/dbraw/zinc/25/02/01/210250201.db2.gz OVUOJGWWMUTEJF-RVDMUPIBSA-N 0 0 332.425 3.160 50 10 EGCARN O=C(CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 ZINC000013377936 207384652 /nfs/dbraw/zinc/38/46/52/207384652.db2.gz UHRUXUCWHIGENP-UHFFFAOYSA-N 0 0 330.380 3.424 50 10 biogenic,in-vitro EGCARN N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2Sc3ccccc3N21 ZINC000013540442 279554801 /nfs/dbraw/zinc/55/48/01/279554801.db2.gz TTYFHHNLNLIUTP-DHIYZDIGSA-N 0 0 349.371 3.284 50 10 EGCARN CN(C)c1ccc([C@H]2C[C@H](c3ccccc3O)Nc3ncnn32)cc1 ZINC000000389011 452578053 /nfs/dbraw/zinc/57/80/53/452578053.db2.gz MQINXXDZUBRUQS-IAGOWNOFSA-N 0 0 335.411 3.196 50 10 EGCARN CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1Br ZINC000001022549 452643149 /nfs/dbraw/zinc/64/31/49/452643149.db2.gz GPRQVVSDZSXVPY-UXBLZVDNSA-N 0 0 343.271 3.004 50 10 EGCARN CCCn1cc(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc21 ZINC000001315177 452652602 /nfs/dbraw/zinc/65/26/02/452652602.db2.gz RMOMGVYULXTJLO-UKTHLTGXSA-N 0 0 327.409 3.148 50 10 EGCARN Cc1nn(C)cc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccco1 ZINC000006527149 452949973 /nfs/dbraw/zinc/94/99/73/452949973.db2.gz WGNJKILRDUXFMG-LFIBNONCSA-N 0 0 332.363 3.156 50 10 EGCARN CCOc1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000006967639 453011671 /nfs/dbraw/zinc/01/16/71/453011671.db2.gz CINVPTHPJMURQE-UHFFFAOYSA-N 0 0 340.423 3.056 50 10 EGCARN O=C(C[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1 ZINC000012289132 453354068 /nfs/dbraw/zinc/35/40/68/453354068.db2.gz PWFNRVWAJURZKR-CQSZACIVSA-N 0 0 344.367 3.423 50 10 EGCARN C=C1NS(=O)(=O)N=C(C)C1=NNc1ccc2c(c1)CCC(C)(C)O2 ZINC000102478594 454505769 /nfs/dbraw/zinc/50/57/69/454505769.db2.gz PGLYOGCLEFSZTR-ISLYRVAYSA-N 0 0 348.428 3.414 50 10 EGCARN CCn1c(/C=C2\c3cc(C)ccc3NC2=O)nc2ccccc2c1=O ZINC000032617997 1291380974 /nfs/dbraw/zinc/38/09/74/1291380974.db2.gz WNQYELGBZNJFOF-RVDMUPIBSA-N 0 0 331.375 3.218 50 10 EGCARN CN(C)c1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000012414025 201846282 /nfs/dbraw/zinc/84/62/82/201846282.db2.gz HAKYJFVGDFGUFB-MKRLJBPISA-N 0 0 348.493 3.133 50 10 EGCARN Oc1ccc2occ([C@H](O)c3ccccc3)c2c1CN1CCOCC1 ZINC000019339061 202003988 /nfs/dbraw/zinc/00/39/88/202003988.db2.gz VCCKRONQOSFEHM-HXUWFJFHSA-N 0 0 339.391 3.052 50 10 EGCARN COCCCN1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S ZINC000002440186 201532485 /nfs/dbraw/zinc/53/24/85/201532485.db2.gz IGAJOHDYEJNJIX-HGLKBHAMSA-N 0 0 349.477 3.248 50 10 EGCARN Cc1nn(C)c(C)c1N=Nc1nc[nH]c1C(=O)NC1CCCCC1 ZINC000004817934 210286384 /nfs/dbraw/zinc/28/63/84/210286384.db2.gz UQPPMSCNCLBXDI-QZQOTICOSA-N 0 0 329.408 3.238 50 10 EGCARN COc1ccc(N2CCN(Cc3cccc(OC)c3OC)CC2)cc1 ZINC000055542905 132195300 /nfs/dbraw/zinc/19/53/00/132195300.db2.gz IPJSAICAWOPPOJ-UHFFFAOYSA-N 0 0 342.439 3.035 50 10 EGCARN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cccs1 ZINC000049740500 132431550 /nfs/dbraw/zinc/43/15/50/132431550.db2.gz IMQQIKSFFAMFIL-UHFFFAOYSA-N 0 0 336.482 3.217 50 10 EGCARN COc1cc([C@@H]2CC(c3cc(C)ccc3O)=NN2)cc(OC)c1OC ZINC000000115306 452513122 /nfs/dbraw/zinc/51/31/22/452513122.db2.gz QAAUBKURVOSUGT-AWEZNQCLSA-N 0 0 342.395 3.165 50 10 EGCARN COc1ccc(OC)c(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1 ZINC000000205640 452535785 /nfs/dbraw/zinc/53/57/85/452535785.db2.gz PHHOZHRVGYRKRA-WJDWOHSUSA-N 0 0 346.452 3.406 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000000381857 452575712 /nfs/dbraw/zinc/57/57/12/452575712.db2.gz RWRCIEZMFAGSLD-UHFFFAOYSA-N 0 0 347.418 3.206 50 10 EGCARN Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)o1 ZINC000001187375 452646277 /nfs/dbraw/zinc/64/62/77/452646277.db2.gz GIKMPSKYUKJENL-UKTHLTGXSA-N 0 0 344.417 3.134 50 10 EGCARN C/C(NCCC(C)C)=C1/C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000004679029 452812244 /nfs/dbraw/zinc/81/22/44/452812244.db2.gz UKPILVUTBNJSFQ-FOWTUZBSSA-N 0 0 330.388 3.227 50 10 EGCARN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000013671214 453480860 /nfs/dbraw/zinc/48/08/60/453480860.db2.gz HQFCADYKAQOERG-UHFFFAOYSA-N 0 0 348.443 3.295 50 10 EGCARN O=C(C(=O)c1ccc(I)cc1)c1ccccc1 ZINC000018195252 453647481 /nfs/dbraw/zinc/64/74/81/453647481.db2.gz JDHMOVJOTOZHAW-UHFFFAOYSA-N 0 0 336.128 3.357 50 10 EGCARN CCc1ncc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cn1 ZINC000095374913 454198486 /nfs/dbraw/zinc/19/84/86/454198486.db2.gz AXPBPPRTSREUIK-OAHLLOKOSA-N 0 0 338.455 3.205 50 10 EGCARN O=C1/C(=C\c2cccc(O)c2O)SC(=S)N1Cc1ccccc1 ZINC000012729753 201863187 /nfs/dbraw/zinc/86/31/87/201863187.db2.gz ONAZKRHHQUOXCZ-NTEUORMPSA-N 0 0 343.429 3.499 50 10 EGCARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000100716649 203996305 /nfs/dbraw/zinc/99/63/05/203996305.db2.gz FORNBRFRDATBQZ-LJQANCHMSA-N 0 0 347.422 3.409 50 10 EGCARN CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000000367358 452572633 /nfs/dbraw/zinc/57/26/33/452572633.db2.gz ANCIYSVAHZBPLI-ATVHPVEESA-N 0 0 337.448 3.010 50 10 aggregator EGCARN O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001281032 452650383 /nfs/dbraw/zinc/65/03/83/452650383.db2.gz IWCPXUMENRJUAF-AUWJEWJLSA-N 0 0 342.401 3.216 50 10 EGCARN Cc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 ZINC000004664744 452812892 /nfs/dbraw/zinc/81/28/92/452812892.db2.gz JQNCDEXUWNPODJ-BMWAZNHVSA-N 0 0 338.314 3.176 50 10 EGCARN CCCCC(=O)NC(NC(=O)CCCC)c1ccc(N(C)C)cc1 ZINC000005501820 452878129 /nfs/dbraw/zinc/87/81/29/452878129.db2.gz FYUHGTDWKDIFSQ-UHFFFAOYSA-N 0 0 333.476 3.364 50 10 EGCARN Cc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c(O)c1 ZINC000005962323 452913219 /nfs/dbraw/zinc/91/32/19/452913219.db2.gz IKMHRJJFTHORTP-OAHLLOKOSA-N 0 0 329.425 3.179 50 10 EGCARN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1Cc1ccccc1 ZINC000012733498 453394581 /nfs/dbraw/zinc/39/45/81/453394581.db2.gz SHALFGFJUXKVHA-OQLLNIDSSA-N 0 0 343.429 3.499 50 10 EGCARN Cn1cccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O ZINC000013778252 453488710 /nfs/dbraw/zinc/48/87/10/453488710.db2.gz UXEXLNGTDHFMGX-QINSGFPZSA-N 0 0 328.462 3.469 50 10 EGCARN COC(=O)c1ccc(/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)cc1 ZINC000016267141 453599098 /nfs/dbraw/zinc/59/90/98/453599098.db2.gz QUKGWTZQHGXNMD-JXCQQFQQSA-N 0 0 344.436 3.175 50 10 EGCARN COC(=O)[C@H](C)Oc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000000307679 258003620 /nfs/dbraw/zinc/00/36/20/258003620.db2.gz CGEVHBVAMSOPJF-NSHDSACASA-N 0 0 342.347 3.204 50 10 biogenic EGCARN COc1ccc(N2CCN(Cc3cc(OC)ccc3OC)CC2)cc1 ZINC000055543852 132196230 /nfs/dbraw/zinc/19/62/30/132196230.db2.gz BHQFVEPSQCFCPG-UHFFFAOYSA-N 0 0 342.439 3.035 50 10 EGCARN Cc1ccc(Cl)c2c1NC(=O)[C@@]21NN=C(c2ccccc2)S1 ZINC000000342231 292112484 /nfs/dbraw/zinc/11/24/84/292112484.db2.gz CCTVDCCJJCULAV-MRXNPFEDSA-N 0 0 329.812 3.452 50 10 EGCARN CCN1c2ccccc2/C(=C2/SC(=S)N(CC(C)C)C2=O)C1=O ZINC000001449342 276254505 /nfs/dbraw/zinc/25/45/05/276254505.db2.gz SHMBJLGKZZKKGS-YPKPFQOOSA-N 0 0 346.477 3.281 50 10 EGCARN COc1ccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)c(OC)c1 ZINC000000085698 452502385 /nfs/dbraw/zinc/50/23/85/452502385.db2.gz LJVUOLOTIYCBAX-PFSWGADMSA-N 0 0 346.452 3.406 50 10 EGCARN CC1(C)OC(=O)C(C=Nc2cc(C(F)(F)F)ccc2Cl)C(=O)O1 ZINC000000215655 452539410 /nfs/dbraw/zinc/53/94/10/452539410.db2.gz XVEGYTOXAYIBLG-UHFFFAOYSA-N 0 0 349.692 3.491 50 10 EGCARN CCN(CC)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 ZINC000000241994 452545957 /nfs/dbraw/zinc/54/59/57/452545957.db2.gz CDMVGWJCNSKNQY-UHFFFAOYSA-N 0 0 329.396 3.287 50 10 EGCARN CCCCC1(C)OC(=O)C(=Cc2ccc(OCC)c(OC)c2)C(=O)O1 ZINC000002971034 452738075 /nfs/dbraw/zinc/73/80/75/452738075.db2.gz SXGRHXXHZODSCX-UHFFFAOYSA-N 0 0 348.395 3.484 50 10 EGCARN Cc1cccc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3[O-])CC2)c1C ZINC000004980571 452829239 /nfs/dbraw/zinc/82/92/39/452829239.db2.gz MIBPKIXRYPTPLR-UHFFFAOYSA-N 0 0 341.411 3.239 50 10 EGCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c([C@@H]3CCCC3=O)c2)cc1 ZINC000005214456 452847845 /nfs/dbraw/zinc/84/78/45/452847845.db2.gz BUZHMYYNMRXSBL-HNNXBMFYSA-N 0 0 345.420 3.338 50 10 EGCARN CC(=C\c1ccccc1)/C=C1\SC(=S)N(N2CCOCC2)C1=O ZINC000005418902 452871510 /nfs/dbraw/zinc/87/15/10/452871510.db2.gz FGNIWOLSPKZOKF-DZIWGARNSA-N 0 0 346.477 3.081 50 10 EGCARN COC(=O)c1c(C)sc([C@@H](O)C(=O)c2ccc(Cl)cc2)c1O ZINC000006667793 452967469 /nfs/dbraw/zinc/96/74/69/452967469.db2.gz DCIGUBPRPOQFEO-ZDUSSCGKSA-N 0 0 340.784 3.118 50 10 EGCARN CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1O ZINC000013110419 453444304 /nfs/dbraw/zinc/44/43/04/453444304.db2.gz VZZSBMNUHURHQR-PTNGSMBKSA-N 0 0 332.425 3.247 50 10 EGCARN O=C1NC(=S)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013147661 453449314 /nfs/dbraw/zinc/44/93/14/453449314.db2.gz DNCIZVIDQRGWMB-GHXNOFRVSA-N 0 0 332.362 3.344 50 10 EGCARN C[C@@H]1C[NH+](Cc2c([O-])ccc3c4ccccc4c(=O)oc32)C[C@@H](C)O1 ZINC000019791827 453659398 /nfs/dbraw/zinc/65/93/98/453659398.db2.gz PDSWZIXYNCJANZ-CHWSQXEVSA-N 0 0 339.391 3.261 50 10 EGCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(F)c([N+](=O)[O-])c1 ZINC000044826990 454121149 /nfs/dbraw/zinc/12/11/49/454121149.db2.gz ORGZOHXFQADIMN-UVTDQMKNSA-N 0 0 340.314 3.452 50 10 EGCARN CC1=C[C@H](OC(C)(C)C)[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@H]2C1 ZINC000252427928 455804124 /nfs/dbraw/zinc/80/41/24/455804124.db2.gz KQBFSZVDTUWIAF-BPNCWPANSA-N 0 0 330.380 3.243 50 10 EGCARN 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Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O ZINC000003880275 452788248 /nfs/dbraw/zinc/78/82/48/452788248.db2.gz FWEQPMZEKHHFTB-UHFFFAOYSA-N 0 0 342.354 3.297 50 10 EGCARN C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C[C@H](C)O1 ZINC000096346686 454319493 /nfs/dbraw/zinc/31/94/93/454319493.db2.gz VLXIBVNWZXDCMT-LNIJQMCSSA-N 0 0 342.873 3.481 50 10 EGCARN CN(C)c1ccc(CN2Cc3cc(Cl)ccc3OCC2=O)cc1 ZINC000065184403 454536979 /nfs/dbraw/zinc/53/69/79/454536979.db2.gz RMYHORQAHNNLOU-UHFFFAOYSA-N 0 0 330.815 3.327 50 10 EGCARN c1cc(N2CCC(NCc3noc(C4CC4)n3)CC2)cc2c1CCC2 ZINC000820425471 1319888026 /nfs/dbraw/zinc/88/80/26/1319888026.db2.gz IGWNQDIRAILMHG-UHFFFAOYSA-N 0 0 338.455 3.194 50 10 EGCARN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCCCOC ZINC000100423313 219099465 /nfs/dbraw/zinc/09/94/65/219099465.db2.gz CUKMQDUFIPPRQQ-JXAWBTAJSA-N 0 0 345.443 3.098 50 10 EGCARN O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000001013839 209700419 /nfs/dbraw/zinc/70/04/19/209700419.db2.gz ZFFWPWYTIOOOAS-CQSZACIVSA-N 0 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343.477 3.172 50 10 EGCARN Cc1ccc(O)c([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c1 ZINC000009008375 211029314 /nfs/dbraw/zinc/02/93/14/211029314.db2.gz OKLWAQPBPBEIIL-HNNXBMFYSA-N 0 0 329.425 3.179 50 10 EGCARN Cc1cccc(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000013647004 258056083 /nfs/dbraw/zinc/05/60/83/258056083.db2.gz BHEWHKDWWQSXIE-UHFFFAOYSA-N 0 0 344.480 3.215 50 10 EGCARN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1 ZINC000004902937 274999089 /nfs/dbraw/zinc/99/90/89/274999089.db2.gz WXUBSQMPBHCZEP-UHFFFAOYSA-N 0 0 328.327 3.109 50 10 EGCARN CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=S ZINC000016101959 276145628 /nfs/dbraw/zinc/14/56/28/276145628.db2.gz VSDCHMHNRORSMN-ACCUITESSA-N 0 0 338.479 3.286 50 10 EGCARN COCCCN1C(=O)/C(=C\c2cccc(Cl)c2)C(C(=O)OC)=C1C ZINC000002844981 452729990 /nfs/dbraw/zinc/72/99/90/452729990.db2.gz OGVLNTQOJDNPDL-PTNGSMBKSA-N 0 0 349.814 3.049 50 10 EGCARN Nc1c(N2CCCCCC2)cc(O)c2c1C(=O)c1ccccc1C2=O ZINC000004117297 452792598 /nfs/dbraw/zinc/79/25/98/452792598.db2.gz FOWGRKALMKNUHG-UHFFFAOYSA-N 0 0 336.391 3.130 50 10 EGCARN O=[N+]([O-])c1ccc([O-])c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000004980764 452829667 /nfs/dbraw/zinc/82/96/67/452829667.db2.gz VAPPQMGTVPHKHI-UHFFFAOYSA-N 0 0 347.802 3.276 50 10 EGCARN CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S ZINC000016405002 453604887 /nfs/dbraw/zinc/60/48/87/453604887.db2.gz SJZHVMQOFSHBKO-UXBLZVDNSA-N 0 0 328.802 3.469 50 10 EGCARN O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000032654860 453882047 /nfs/dbraw/zinc/88/20/47/453882047.db2.gz RTEUWUIRMRFAIO-XYOKQWHBSA-N 0 0 331.378 3.329 50 10 EGCARN COc1ccccc1-n1c(C)cc(C(=O)NCC2CCOCC2)c1C ZINC000095473546 454219498 /nfs/dbraw/zinc/21/94/98/454219498.db2.gz HLDCSPUHXDYWTG-UHFFFAOYSA-N 0 0 342.439 3.259 50 10 EGCARN CN(C)c1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Br ZINC000001186577 282280689 /nfs/dbraw/zinc/28/06/89/282280689.db2.gz TVVCFORYVXLXNE-XFFZJAGNSA-N 0 0 341.230 3.181 50 10 EGCARN COc1ccccc1-c1coc2c(ccc([O-])c2C[NH+](C)C)c1=O ZINC000019790382 212067611 /nfs/dbraw/zinc/06/76/11/212067611.db2.gz ZXEHNIGPWQUWCN-UHFFFAOYSA-N 0 0 325.364 3.236 50 10 biogenic EGCARN COc1ccc(C2(Br)C(=O)c3ccccc3C2=O)cc1 ZINC000000160458 452525764 /nfs/dbraw/zinc/52/57/64/452525764.db2.gz RFAQNZSIJKSBNP-UHFFFAOYSA-N 0 0 331.165 3.365 50 10 EGCARN Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000000199180 452532546 /nfs/dbraw/zinc/53/25/46/452532546.db2.gz DYTIONWLDVSGHI-CXUHLZMHSA-N 0 0 325.437 3.056 50 10 EGCARN COc1ccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)cc1 ZINC000000339876 452566105 /nfs/dbraw/zinc/56/61/05/452566105.db2.gz HARZFXBJVSJUJY-UHFFFAOYSA-N 0 0 330.453 3.110 50 10 EGCARN CN(C)c1ccc([C@H]2C[C@@H](c3ccccc3O)Nc3ncnn32)cc1 ZINC000000389009 452578542 /nfs/dbraw/zinc/57/85/42/452578542.db2.gz MQINXXDZUBRUQS-DLBZAZTESA-N 0 0 335.411 3.196 50 10 EGCARN CN(C)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000000517131 452612154 /nfs/dbraw/zinc/61/21/54/452612154.db2.gz GUSYCRWSCFVBNL-TWLJRWAQSA-N 0 0 347.462 3.390 50 10 biogenic EGCARN COc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000000516046 452613191 /nfs/dbraw/zinc/61/31/91/452613191.db2.gz GJFPBXNWZKIQDP-UHFFFAOYSA-N 0 0 330.815 3.311 50 10 EGCARN O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1Nc1ccccc1 ZINC000001269285 452651708 /nfs/dbraw/zinc/65/17/08/452651708.db2.gz ATKORQIIELSXJL-ZROIWOOFSA-N 0 0 344.417 3.326 50 10 EGCARN CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000005094389 452836799 /nfs/dbraw/zinc/83/67/99/452836799.db2.gz BQKQHCLZPZQTPU-UHFFFAOYSA-N 0 0 340.423 3.056 50 10 EGCARN CCCCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2)NC1=S ZINC000006389776 452941089 /nfs/dbraw/zinc/94/10/89/452941089.db2.gz HVBYISIWBRVCJU-DTQAZKPQSA-N 0 0 331.485 3.391 50 10 EGCARN Oc1ccc(Cl)cc1[C@H]1C[C@@H](c2ccc(F)cc2)n2nnnc2N1 ZINC000006669659 452966859 /nfs/dbraw/zinc/96/68/59/452966859.db2.gz IKFLIAGZJDIMMG-KGLIPLIRSA-N 0 0 345.765 3.318 50 10 EGCARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ncccc31)C(=O)C2=O ZINC000006760202 452984553 /nfs/dbraw/zinc/98/45/53/452984553.db2.gz FLMOPDSPNGCEHD-UXHICEINSA-N 0 0 336.391 3.138 50 10 EGCARN COc1ccc([N+](=O)[O-])cc1[C@H]1NN=C(c2ccccc2O)S1 ZINC000013130708 453447919 /nfs/dbraw/zinc/44/79/19/453447919.db2.gz WYXCCDJTQMMJFW-HNNXBMFYSA-N 0 0 331.353 3.006 50 10 EGCARN COc1ccc(N2CCOCC2)c(NC(=O)c2cccc(C)c2)c1 ZINC000006715997 536705735 /nfs/dbraw/zinc/70/57/35/536705735.db2.gz KPDYQEQKUWFWLU-UHFFFAOYSA-N 0 0 326.396 3.093 50 10 EGCARN Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000013672040 546515434 /nfs/dbraw/zinc/51/54/34/546515434.db2.gz PFPWWOHJSQHYPJ-UHFFFAOYSA-N 0 0 344.480 3.215 50 10 EGCARN O=C1c2ccc3nc(-c4ccncc4)[nH]c3c2C(=O)[C@@H]2C=CCC=C12 ZINC000219035612 547241739 /nfs/dbraw/zinc/24/17/39/547241739.db2.gz KSFIWHOAKHULIV-QWHCGFSZSA-N 0 0 327.343 3.362 50 10 EGCARN CCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000000090778 209414189 /nfs/dbraw/zinc/41/41/89/209414189.db2.gz GIDYNNPNMOCMFW-QYAPNPRASA-N 0 0 346.452 3.165 50 10 EGCARN CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1 ZINC000000050426 209390571 /nfs/dbraw/zinc/39/05/71/209390571.db2.gz BCJIEYZMVXAMKO-XMHGGMMESA-N 0 0 349.434 3.303 50 10 EGCARN O=C1/C(=C\c2ccccc2F)SC(=S)N1CN1CCCCC1 ZINC000023279563 212366564 /nfs/dbraw/zinc/36/65/64/212366564.db2.gz UWAMEYNNCRZBFG-GXDHUFHOSA-N 0 0 336.457 3.470 50 10 EGCARN CC(C)C1=NN2C(=NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=N)S1 ZINC000020025098 212094986 /nfs/dbraw/zinc/09/49/86/212094986.db2.gz DXYNAIBXUFSKBP-NFFPZGGSSA-N 0 0 337.408 3.443 50 10 EGCARN CC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(N(C)C)cc1 ZINC000004758053 210272839 /nfs/dbraw/zinc/27/28/39/210272839.db2.gz OHELOTZZZHQCEL-UHFFFAOYSA-N 0 0 335.411 3.283 50 10 EGCARN CCCn1ncnc1[C@@H](C)NC(=O)c1c(C)c2cc(F)ccc2n1C ZINC000299786342 258093217 /nfs/dbraw/zinc/09/32/17/258093217.db2.gz LBRJJMHKBSMNFN-GFCCVEGCSA-N 0 0 343.406 3.118 50 10 EGCARN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000000108140 452510784 /nfs/dbraw/zinc/51/07/84/452510784.db2.gz XFIBQRIFFPPEIZ-FLIBITNWSA-N 0 0 325.286 3.008 50 10 EGCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000000312502 452562082 /nfs/dbraw/zinc/56/20/82/452562082.db2.gz BDTSQRPQDJLAFX-PDGQHHTCSA-N 0 0 349.386 3.226 50 10 EGCARN O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc(F)cc1 ZINC000000443163 452592594 /nfs/dbraw/zinc/59/25/94/452592594.db2.gz IMNNWUBWYYHPQW-UHFFFAOYSA-N 0 0 346.177 3.095 50 10 EGCARN Cc1cccc(C)c1NC(=O)CSCC(=O)c1ccc(O)c(O)c1 ZINC000000523032 452612886 /nfs/dbraw/zinc/61/28/86/452612886.db2.gz GMGJJCWFPWBEMW-UHFFFAOYSA-N 0 0 345.420 3.269 50 10 EGCARN COC(=O)c1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000001140390 452646414 /nfs/dbraw/zinc/64/64/14/452646414.db2.gz GQUZISGQSQKHNB-JYRVWZFOSA-N 0 0 335.450 3.330 50 10 EGCARN COc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 ZINC000001281105 452651153 /nfs/dbraw/zinc/65/11/53/452651153.db2.gz SQDMRTKANANSSV-NTEUORMPSA-N 0 0 328.418 3.496 50 10 EGCARN CCCCCN1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000002672920 452714468 /nfs/dbraw/zinc/71/44/68/452714468.db2.gz FSDYSNDTKVDWEU-YPKPFQOOSA-N 0 0 346.477 3.425 50 10 EGCARN O=[N+]([O-])c1ccc([O-])c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000004980523 452830654 /nfs/dbraw/zinc/83/06/54/452830654.db2.gz JEJVZRBCNYVVCQ-UHFFFAOYSA-N 0 0 347.802 3.276 50 10 EGCARN COc1ccc(CN2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 ZINC000008315572 453189260 /nfs/dbraw/zinc/18/92/60/453189260.db2.gz BEQLFJJWRLAPPW-DHDCSXOGSA-N 0 0 342.445 3.492 50 10 EGCARN COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1[N+](=O)[O-] ZINC000032224703 453865460 /nfs/dbraw/zinc/86/54/60/453865460.db2.gz JQZATGHGFCWJRP-XNTDXEJSSA-N 0 0 337.335 3.410 50 10 EGCARN CCc1ncc(CN2CCN(c3ccc(OC)cc3)C(C)(C)C2)cn1 ZINC000072135305 454272159 /nfs/dbraw/zinc/27/21/59/454272159.db2.gz YLHPLERCOHERGP-UHFFFAOYSA-N 0 0 340.471 3.148 50 10 EGCARN CCc1cccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccccc32)c1 ZINC000064979134 454521684 /nfs/dbraw/zinc/52/16/84/454521684.db2.gz SQMVVBFSEJAZQA-UHFFFAOYSA-N 0 0 343.404 3.189 50 10 EGCARN Cc1noc([C@@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n1 ZINC000534661391 459344804 /nfs/dbraw/zinc/34/48/04/459344804.db2.gz ACONBTKDTYXMIG-CYBMUJFWSA-N 0 0 326.444 3.186 50 10 EGCARN CC(NCc1ccc2c(c1)OCO2)=C1C(=O)N(c2ccccc2)N=C1C ZINC000100422840 219098911 /nfs/dbraw/zinc/09/89/11/219098911.db2.gz LYIPSGWKCLQBBU-UYRXBGFRSA-N 0 0 349.390 3.202 50 10 EGCARN COc1ccc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc1OC ZINC000100943029 219112257 /nfs/dbraw/zinc/11/22/57/219112257.db2.gz UORXJWAXSJWLBK-FOWTUZBSSA-N 0 0 337.379 3.422 50 10 EGCARN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C ZINC000001408306 209742902 /nfs/dbraw/zinc/74/29/02/209742902.db2.gz XNTPDNBWHDXYAR-OVCLIPMQSA-N 0 0 329.787 3.393 50 10 EGCARN CCn1c(/C=C2\c3cc(C)ccc3N(C)C2=O)nc2ccccc2c1=O ZINC000032617999 212820172 /nfs/dbraw/zinc/82/01/72/212820172.db2.gz CYFOORLDVGLXGN-FOWTUZBSSA-N 0 0 345.402 3.242 50 10 EGCARN Cc1cc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2C)no1 ZINC000022225879 212282857 /nfs/dbraw/zinc/28/28/57/212282857.db2.gz AVEAODFLDHCVMP-UHFFFAOYSA-N 0 0 342.424 3.423 50 10 EGCARN CN(C)c1ccc(/C=C/c2nc(N)nc3nc4ccccc4n32)cc1 ZINC000012323661 211347279 /nfs/dbraw/zinc/34/72/79/211347279.db2.gz MPEWUMAOIZQCNO-FMIVXFBMSA-N 0 0 330.395 3.096 50 10 EGCARN CCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S ZINC000005898035 210555418 /nfs/dbraw/zinc/55/54/18/210555418.db2.gz HEJUAYRNNNXEMF-ACCUITESSA-N 0 0 335.450 3.231 50 10 EGCARN CC(C)CCN1c2ccccc2/C(=C2/SC(=S)N(C)C2=O)C1=O ZINC000005907369 275562917 /nfs/dbraw/zinc/56/29/17/275562917.db2.gz SKCWTWVMUFAWGQ-YPKPFQOOSA-N 0 0 346.477 3.281 50 10 EGCARN CN1C(=O)C(=Cc2c3ccccc3cc3ccccc32)C(=O)N(C)C1=O ZINC000003189189 276872200 /nfs/dbraw/zinc/87/22/00/276872200.db2.gz HIJCZAIGUJTSBG-UHFFFAOYSA-N 0 0 344.370 3.427 50 10 EGCARN CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccco3)C2=O)nc1C ZINC000000085534 452502822 /nfs/dbraw/zinc/50/28/22/452502822.db2.gz SJJIRKNTBSRUTC-XYOKQWHBSA-N 0 0 345.380 3.027 50 10 EGCARN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccc1 ZINC000000133254 452515161 /nfs/dbraw/zinc/51/51/61/452515161.db2.gz GKNLDPNMAIXGND-OBGWFSINSA-N 0 0 349.459 3.479 50 10 EGCARN CCOc1ccc(N=CC2C(=O)OC3(CCCCC3)OC2=O)cc1 ZINC000000215703 452539148 /nfs/dbraw/zinc/53/91/48/452539148.db2.gz IPXNEWHDGKSGMB-UHFFFAOYSA-N 0 0 331.368 3.142 50 10 EGCARN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1cccc(O)c1 ZINC000005347178 452862734 /nfs/dbraw/zinc/86/27/34/452862734.db2.gz YMEVMAAHQOZCBP-VGOFMYFVSA-N 0 0 345.401 3.209 50 10 EGCARN COc1ccc(N2CCCCC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000010119476 453277135 /nfs/dbraw/zinc/27/71/35/453277135.db2.gz KTTCQFJAAWFKOH-UHFFFAOYSA-N 0 0 345.355 3.439 50 10 EGCARN CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 ZINC000015931352 453589532 /nfs/dbraw/zinc/58/95/32/453589532.db2.gz GIDYNNPNMOCMFW-SUNVMROUSA-N 0 0 346.452 3.165 50 10 EGCARN CC(=C\c1ccccc1)/C=C1/SC(=S)N(N2CCOCC2)C1=O ZINC000027533746 453818456 /nfs/dbraw/zinc/81/84/56/453818456.db2.gz FGNIWOLSPKZOKF-CEHLPYKYSA-N 0 0 346.477 3.081 50 10 EGCARN COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)NC(C)C ZINC000044085904 454088008 /nfs/dbraw/zinc/08/80/08/454088008.db2.gz XAAWBDSUZNDLCW-UHFFFAOYSA-N 0 0 347.484 3.122 50 10 EGCARN COc1ccc2c(c1)c(/C=C1/SC(=S)N(C)C1=O)c(C)n2C ZINC000095479512 454221646 /nfs/dbraw/zinc/22/16/46/454221646.db2.gz DUKSBSKODLWHEF-RIYZIHGNSA-N 0 0 332.450 3.326 50 10 EGCARN C[C@@H]1CCCN(c2ccc(CNC(=O)CCCc3cn[nH]c3)cc2)C1 ZINC000097475514 454437553 /nfs/dbraw/zinc/43/75/53/454437553.db2.gz IFLJHQVWFQQWKH-MRXNPFEDSA-N 0 0 340.471 3.285 50 10 EGCARN CCOc1ccccc1N=CC1C(=O)OC2(CCCCC2)OC1=O ZINC000100614788 219102999 /nfs/dbraw/zinc/10/29/99/219102999.db2.gz LDWVTPOCJYAZRN-UHFFFAOYSA-N 0 0 331.368 3.142 50 10 EGCARN COc1ccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)c(OC)c1 ZINC000000085703 209410004 /nfs/dbraw/zinc/41/00/04/209410004.db2.gz LJVUOLOTIYCBAX-DZZSIBQASA-N 0 0 346.452 3.406 50 10 EGCARN Cc1ccc2nc(NC3=N[C@@H](c4ccccc4)CC(=O)N3)nc(C)c2c1 ZINC000019905365 212081856 /nfs/dbraw/zinc/08/18/56/212081856.db2.gz ZGZOYBMDKMGXOR-QGZVFWFLSA-N 0 0 345.406 3.276 50 10 EGCARN O=C(c1coc2ccc(O)c(CN3CCOCC3)c12)c1ccccc1 ZINC000019774995 212064395 /nfs/dbraw/zinc/06/43/95/212064395.db2.gz XLCRVPITJLFMNO-UHFFFAOYSA-N 0 0 337.375 3.202 50 10 EGCARN Oc1ccc2occ([C@@H](O)c3ccccc3)c2c1CN1CCOCC1 ZINC000019339055 212018500 /nfs/dbraw/zinc/01/85/00/212018500.db2.gz VCCKRONQOSFEHM-FQEVSTJZSA-N 0 0 339.391 3.052 50 10 EGCARN CCCCOC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000009444392 211084784 /nfs/dbraw/zinc/08/47/84/211084784.db2.gz ULKJMIAQYBCZGH-DHZHZOJOSA-N 0 0 341.479 3.293 50 10 EGCARN CCc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)no1 ZINC000097307321 219010472 /nfs/dbraw/zinc/01/04/72/219010472.db2.gz RRUFCUPKHKVEEP-CQSZACIVSA-N 0 0 327.428 3.403 50 10 EGCARN CCN(CC)c1ccc(/C=C2\SC(=O)N(CN(C)C)C2=O)cc1 ZINC000334163543 258016162 /nfs/dbraw/zinc/01/61/62/258016162.db2.gz WJCCDXMXEUBVQN-PTNGSMBKSA-N 0 0 333.457 3.088 50 10 EGCARN Nc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000003878182 274964576 /nfs/dbraw/zinc/96/45/76/274964576.db2.gz PXNNPGGYHAWDJW-UHFFFAOYSA-N 0 0 342.354 3.297 50 10 EGCARN CCn1c(/C=C2/c3cc(C)ccc3N(C)C2=O)nc2ccccc2c1=O ZINC000018009734 276710421 /nfs/dbraw/zinc/71/04/21/276710421.db2.gz CYFOORLDVGLXGN-VBKFSLOCSA-N 0 0 345.402 3.242 50 10 EGCARN CCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1 ZINC000000028976 452491425 /nfs/dbraw/zinc/49/14/25/452491425.db2.gz SNGZYDWWLUKFQC-UHFFFAOYSA-N 0 0 325.416 3.390 50 10 aggregator EGCARN CN(C)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 ZINC000000190735 452530838 /nfs/dbraw/zinc/53/08/38/452530838.db2.gz JLBPOYFNHCRMOX-WJDWOHSUSA-N 0 0 337.335 3.005 50 10 EGCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000007496835 453082523 /nfs/dbraw/zinc/08/25/23/453082523.db2.gz UERPWCVUDLNTCR-UHFFFAOYSA-N 0 0 346.814 3.438 50 10 EGCARN COC(=O)C=C1SC(Nc2ccc(Cl)c(Cl)c2)=NC1=O ZINC000013111190 453445656 /nfs/dbraw/zinc/44/56/56/453445656.db2.gz CHILQTLHZRNFJX-UITAMQMPSA-N 0 0 331.180 3.092 50 10 EGCARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)C1CC1 ZINC000017072577 453629300 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/nfs/dbraw/zinc/46/24/29/453462429.db2.gz IQBDSEFFRGVQTG-PTNGSMBKSA-N 0 0 348.493 3.340 50 10 EGCARN O=S(=O)(Cc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000013667693 453478820 /nfs/dbraw/zinc/47/88/20/453478820.db2.gz LHUXXFOCEHWMAF-UHFFFAOYSA-N 0 0 348.443 3.046 50 10 EGCARN CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1 ZINC000015931354 453589556 /nfs/dbraw/zinc/58/95/56/453589556.db2.gz GIDYNNPNMOCMFW-AHGVEAMXSA-N 0 0 346.452 3.165 50 10 EGCARN CC1=NN(c2nc3ccccc3s2)C(=O)C1=CNC1CCCC1 ZINC000100150636 454464746 /nfs/dbraw/zinc/46/47/46/454464746.db2.gz IUQKOCUZPLAARM-JLHYYAGUSA-N 0 0 326.425 3.435 50 10 EGCARN Nc1ccc(CC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)cc1 ZINC001704356191 1416454876 /nfs/dbraw/zinc/45/48/76/1416454876.db2.gz CRRAMVXQOXXWJF-VQTJNVASSA-N 0 0 336.435 3.190 50 10 EGCARN Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000100048641 219089259 /nfs/dbraw/zinc/08/92/59/219089259.db2.gz ADCWDMYESTYBBN-VHEBQXMUSA-N 0 0 344.371 3.110 50 10 EGCARN CC(NCCc1ccc(O)cc1)=C1C(=O)N(c2ccccc2)N=C1C ZINC000100423042 219099058 /nfs/dbraw/zinc/09/90/58/219099058.db2.gz VNGZWCUIZXXLIO-RGEXLXHISA-N 0 0 335.407 3.221 50 10 EGCARN Cc1csc(N2N=C(c3ccccc3O)C[C@]2(O)C(F)(F)F)n1 ZINC000004478275 210198342 /nfs/dbraw/zinc/19/83/42/210198342.db2.gz QWHXMEJHBDLSIA-ZDUSSCGKSA-N 0 0 343.330 3.022 50 10 EGCARN O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc(F)cc2)C(=O)N1 ZINC000004050222 210107918 /nfs/dbraw/zinc/10/79/18/210107918.db2.gz QXJFKOBVHIVSML-UHFFFAOYSA-N 0 0 326.283 3.208 50 10 EGCARN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c2ccccc12 ZINC000035685802 213046228 /nfs/dbraw/zinc/04/62/28/213046228.db2.gz BXWDRHQVLVLDGW-UHFFFAOYSA-N 0 0 329.377 3.355 50 10 EGCARN CCN1CCN(CC(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 ZINC000022461921 212298830 /nfs/dbraw/zinc/29/88/30/212298830.db2.gz WZTCSVBVYOCSFB-UHFFFAOYSA-N 0 0 343.446 3.053 50 10 EGCARN CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccco3)cc2)SC1=S ZINC000005170515 210406150 /nfs/dbraw/zinc/40/61/50/210406150.db2.gz CBAFQPVCJDQMPM-UKTHLTGXSA-N 0 0 345.401 3.330 50 10 EGCARN CCOc1cc(Cl)c(C=C2SC(N)=NC2=O)cc1OCC ZINC000005127493 210394736 /nfs/dbraw/zinc/39/47/36/210394736.db2.gz HBPHEPDQFUOZDR-SDQBBNPISA-N 0 0 326.805 3.066 50 10 EGCARN CC[C@@H](C)N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S ZINC000006830031 276417246 /nfs/dbraw/zinc/41/72/46/276417246.db2.gz HSMILGRKQZFRQJ-RLIURORJSA-N 0 0 341.436 3.015 50 10 EGCARN COC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S ZINC000001168402 277317371 /nfs/dbraw/zinc/31/73/71/277317371.db2.gz GXLVCEWYNAXQRF-FLIBITNWSA-N 0 0 341.841 3.104 50 10 EGCARN CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OC ZINC000000103935 452507723 /nfs/dbraw/zinc/50/77/23/452507723.db2.gz CPEHUAMQTJTOBM-UHFFFAOYSA-N 0 0 346.379 3.238 50 10 EGCARN COc1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)cc1 ZINC000000196297 452533244 /nfs/dbraw/zinc/53/32/44/452533244.db2.gz SLEKJWUWRHCCCD-UHFFFAOYSA-N 0 0 327.453 3.214 50 10 EGCARN COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000000413878 452583905 /nfs/dbraw/zinc/58/39/05/452583905.db2.gz 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/nfs/dbraw/zinc/84/78/37/457847837.db2.gz AWDMQIVILPBEBE-UHFFFAOYSA-N 0 0 348.450 3.080 50 10 EGCARN O=C(c1cccnc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000033739182 546536708 /nfs/dbraw/zinc/53/67/08/546536708.db2.gz REXCTVGMABKDGU-MDWZMJQESA-N 0 0 344.392 3.262 50 10 EGCARN C[NH+](C)Cc1c([O-])ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc21 ZINC000000044663 282144125 /nfs/dbraw/zinc/14/41/25/282144125.db2.gz GUCZMOOMBNDAOP-UHFFFAOYSA-N 0 0 335.363 3.104 50 10 EGCARN COc1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 ZINC000004475010 210196790 /nfs/dbraw/zinc/19/67/90/210196790.db2.gz MZAFAMFMIWTLTC-GXDHUFHOSA-N 0 0 328.418 3.496 50 10 EGCARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000000265865 209510475 /nfs/dbraw/zinc/51/04/75/209510475.db2.gz KBQAHWRFBGDJAD-UHFFFAOYSA-N 0 0 334.331 3.450 50 10 EGCARN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)nc2ccccc21 ZINC000072329596 216153893 /nfs/dbraw/zinc/15/38/93/216153893.db2.gz FVMUWJHDOPSNNH-UHFFFAOYSA-N 0 0 335.407 3.239 50 10 EGCARN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CN1CCCCC1 ZINC000019607826 212051560 /nfs/dbraw/zinc/05/15/60/212051560.db2.gz JPZQLPGNIPOVPS-GXDHUFHOSA-N 0 0 336.457 3.470 50 10 EGCARN CN(C)c1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000012414024 211373820 /nfs/dbraw/zinc/37/38/20/211373820.db2.gz HAKYJFVGDFGUFB-QTNMRXCUSA-N 0 0 348.493 3.133 50 10 EGCARN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000008558448 210964635 /nfs/dbraw/zinc/96/46/35/210964635.db2.gz PZOLGRSYIDNJCY-RIYZIHGNSA-N 0 0 346.433 3.054 50 10 EGCARN CCCN1C(=O)/C(=C2\c3ccccc3N(CC)C2=O)SC1=S ZINC000002300062 276003709 /nfs/dbraw/zinc/00/37/09/276003709.db2.gz MNLCGDGTAGTHQV-SEYXRHQNSA-N 0 0 332.450 3.035 50 10 EGCARN COc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 ZINC000019885388 277398870 /nfs/dbraw/zinc/39/88/70/277398870.db2.gz GWPLSDDPYVONBW-CRFANRBNSA-N 0 0 342.424 3.360 50 10 EGCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)C[C@H](C)O1 ZINC000018143175 278725651 /nfs/dbraw/zinc/72/56/51/278725651.db2.gz 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/nfs/dbraw/zinc/64/73/47/452647347.db2.gz VNJWXDXZEQUVNT-UVTDQMKNSA-N 0 0 349.477 3.477 50 10 EGCARN COc1ccc(OC)c(/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)c1 ZINC000013534546 453468115 /nfs/dbraw/zinc/46/81/15/453468115.db2.gz HIWNNXHGUUWDCK-SEJMYLSOSA-N 0 0 346.452 3.406 50 10 EGCARN CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000013562923 453470859 /nfs/dbraw/zinc/47/08/59/453470859.db2.gz LBBKMNQDYDYXGA-VBKFSLOCSA-N 0 0 338.338 3.175 50 10 EGCARN CCCc1nc(C)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000016606375 453615805 /nfs/dbraw/zinc/61/58/05/453615805.db2.gz SDOSDDXWBRVUOT-UHFFFAOYSA-N 0 0 326.444 3.073 50 10 EGCARN CCOc1ccccc1/C=C1/C(=O)NN(c2ccc(C)c(C)c2)C1=O ZINC000016671248 453619137 /nfs/dbraw/zinc/61/91/37/453619137.db2.gz VFTASKULNGVSOJ-ATVHPVEESA-N 0 0 336.391 3.164 50 10 EGCARN O=S(=O)(Nc1cccc(Cl)c1Cl)c1cccc2nonc21 ZINC000032578730 453878753 /nfs/dbraw/zinc/87/87/53/453878753.db2.gz WHIWMEKUCHBZIO-UHFFFAOYSA-N 0 0 344.179 3.330 50 10 EGCARN O=C1c2ccc3nc(-c4ccncc4)[nH]c3c2C(=O)[C@H]2C=CCC=C12 ZINC000219035378 547241860 /nfs/dbraw/zinc/24/18/60/547241860.db2.gz KSFIWHOAKHULIV-OLZOCXBDSA-N 0 0 327.343 3.362 50 10 EGCARN COc1ccc(Oc2coc3c(ccc([O-])c3C[NH+](C)C)c2=O)cc1 ZINC000019789745 212066363 /nfs/dbraw/zinc/06/63/63/212066363.db2.gz VIAFHOBTJRDQEJ-UHFFFAOYSA-N 0 0 341.363 3.361 50 10 biogenic EGCARN Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)o1 ZINC000013799876 211640618 /nfs/dbraw/zinc/64/06/18/211640618.db2.gz GIKMPSKYUKJENL-LCYFTJDESA-N 0 0 344.417 3.134 50 10 EGCARN O=C1c2ccccc2C(=O)c2c3c(ccc21)S(=O)(=O)c1ccccc1-3 ZINC000078546367 285022731 /nfs/dbraw/zinc/02/27/31/285022731.db2.gz WIELNDJKCYSPRT-UHFFFAOYSA-N 0 0 346.363 3.275 50 10 EGCARN COC(=O)[C@@H](C)Oc1ccc2c3ccc(OC)cc3c(=O)oc2c1C ZINC000000307680 258003702 /nfs/dbraw/zinc/00/37/02/258003702.db2.gz CGEVHBVAMSOPJF-LLVKDONJSA-N 0 0 342.347 3.204 50 10 biogenic EGCARN COc1ccc(N2CCN(C(=O)c3cccc4c3ccn4C)CC2)cc1 ZINC000036360235 132392327 /nfs/dbraw/zinc/39/23/27/132392327.db2.gz GJCDYXLWIDGLLE-UHFFFAOYSA-N 0 0 349.434 3.149 50 10 EGCARN Oc1ccc(Cl)cc1[C@@H]1C[C@@H](c2ccc(F)cc2)n2nnnc2N1 ZINC000006669661 296591273 /nfs/dbraw/zinc/59/12/73/296591273.db2.gz IKFLIAGZJDIMMG-KBPBESRZSA-N 0 0 345.765 3.318 50 10 EGCARN CN(C)c1ccc([C@@H]2C[C@@H](c3ccccc3O)Nc3ncnn32)cc1 ZINC000000389010 452578041 /nfs/dbraw/zinc/57/80/41/452578041.db2.gz MQINXXDZUBRUQS-IRXDYDNUSA-N 0 0 335.411 3.196 50 10 EGCARN Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccccc1 ZINC000005516287 452879888 /nfs/dbraw/zinc/87/98/88/452879888.db2.gz GAPZZBYWHAJLAV-NFHCXAAFSA-N 0 0 349.419 3.343 50 10 EGCARN CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3cccnc31)C(=O)C2=O ZINC000006759396 452984617 /nfs/dbraw/zinc/98/46/17/452984617.db2.gz ISEZCPGSEAIFJM-UXHICEINSA-N 0 0 336.391 3.138 50 10 EGCARN COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(OC)c1 ZINC000014021235 453499118 /nfs/dbraw/zinc/49/91/18/453499118.db2.gz FDFDCWIPIMMSHZ-GDNBJRDFSA-N 0 0 332.425 3.160 50 10 EGCARN CN1CC[NH+]([C@@H](c2cccs2)c2ccc3cccnc3c2O)CC1 ZINC000020507275 453666351 /nfs/dbraw/zinc/66/63/51/453666351.db2.gz LZYJKFBBEIHIIQ-GOSISDBHSA-N 0 0 339.464 3.339 50 10 EGCARN Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1)N1CCOCC1)OCO2 ZINC000020726978 453669030 /nfs/dbraw/zinc/66/90/30/453669030.db2.gz ZVYDMWFVIVJDTC-SFHVURJKSA-N 0 0 347.798 3.196 50 10 EGCARN COc1ccc(N2CCN(c3cccc([C@@H](C)O)n3)CC2(C)C)cc1 ZINC000096153244 454294318 /nfs/dbraw/zinc/29/43/18/454294318.db2.gz TUDMVRMUZSVVSD-OAHLLOKOSA-N 0 0 341.455 3.249 50 10 EGCARN C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C[C@H](C)O1 ZINC000096346685 454319087 /nfs/dbraw/zinc/31/90/87/454319087.db2.gz VLXIBVNWZXDCMT-RIYDGGSQSA-N 0 0 342.873 3.481 50 10 EGCARN COc1ccc(N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036001014 536696078 /nfs/dbraw/zinc/69/60/78/536696078.db2.gz IOLYZLTXFBKLEY-UHFFFAOYSA-N 0 0 344.842 3.354 50 10 EGCARN CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2=O ZINC000004727499 210261855 /nfs/dbraw/zinc/26/18/55/210261855.db2.gz HDRBYMPWWLJACJ-BZNIZROVSA-N 0 0 339.313 3.218 50 10 EGCARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccco1 ZINC000004578313 210225197 /nfs/dbraw/zinc/22/51/97/210225197.db2.gz NPUVQCOAWOJSFC-VGOFMYFVSA-N 0 0 345.401 3.410 50 10 EGCARN O=C1NN=C(c2ccccc2)C1=CNc1ccc(OC(F)(F)F)cc1 ZINC000100409154 219098335 /nfs/dbraw/zinc/09/83/35/219098335.db2.gz OYRDRKKJTKIXAX-GXDHUFHOSA-N 0 0 347.296 3.415 50 10 EGCARN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2c(c1)OCCO2 ZINC000101410331 219126391 /nfs/dbraw/zinc/12/63/91/219126391.db2.gz IJRKBWXNBQGOET-FOWTUZBSSA-N 0 0 335.363 3.176 50 10 EGCARN C[C@H](NC(=O)c1cc(COc2ccccc2)n[nH]1)c1ccccc1O ZINC000067802945 215215037 /nfs/dbraw/zinc/21/50/37/215215037.db2.gz GXBZBMIFHNTRDL-ZDUSSCGKSA-N 0 0 337.379 3.185 50 10 EGCARN COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c(OC)c1 ZINC000000063240 209396333 /nfs/dbraw/zinc/39/63/33/209396333.db2.gz FDFDCWIPIMMSHZ-XNTDXEJSSA-N 0 0 332.425 3.160 50 10 EGCARN Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000023128337 212352163 /nfs/dbraw/zinc/35/21/63/212352163.db2.gz RMVMECWECPZIEV-YBEGLDIGSA-N 0 0 340.452 3.299 50 10 EGCARN Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc2c(c1)CC[C@@H](C)N2C ZINC000006659374 292000657 /nfs/dbraw/zinc/00/06/57/292000657.db2.gz WIWMVIMEBGCRDF-YXHQGMJNSA-N 0 0 336.391 3.123 50 10 EGCARN O=C(Cc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000010113430 135688718 /nfs/dbraw/zinc/68/87/18/135688718.db2.gz ZNNZCBDERAGNNU-UHFFFAOYSA-N 0 0 344.842 3.036 50 10 EGCARN COC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000002304789 277315728 /nfs/dbraw/zinc/31/57/28/277315728.db2.gz KEWCCHXXBRJJEA-RAXLEYEMSA-N 0 0 335.450 3.149 50 10 EGCARN Nc1ccc(Cc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 ZINC000003096514 279698280 /nfs/dbraw/zinc/69/82/80/279698280.db2.gz SXKBQLZMICXHNV-WOUAJJJCSA-N 0 0 344.414 3.171 50 10 EGCARN CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000005610779 452887520 /nfs/dbraw/zinc/88/75/20/452887520.db2.gz XSUNEROZTJFDQB-UHFFFAOYSA-N 0 0 327.789 3.245 50 10 EGCARN Oc1ccc(F)cc1C1=NN[C@@H](c2cc(Cl)cc3c2OCOC3)C1 ZINC000000311787 452560661 /nfs/dbraw/zinc/56/06/61/452560661.db2.gz NBAOMQAWXLLMCX-OAHLLOKOSA-N 0 0 348.761 3.490 50 10 EGCARN CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S ZINC000001188655 452646175 /nfs/dbraw/zinc/64/61/75/452646175.db2.gz MDYCAIXXSWVPDV-POHAHGRESA-N 0 0 344.255 3.376 50 10 EGCARN O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1 ZINC000001417254 452662597 /nfs/dbraw/zinc/66/25/97/452662597.db2.gz GAQYWHAXDBGVFY-KAMYIIQDSA-N 0 0 340.429 3.233 50 10 EGCARN CCCCN1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000002824624 452728512 /nfs/dbraw/zinc/72/85/12/452728512.db2.gz NPWJXAHATIYFLI-SEYXRHQNSA-N 0 0 332.450 3.035 50 10 EGCARN Cc1cc(O)c(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000004184366 452795355 /nfs/dbraw/zinc/79/53/55/452795355.db2.gz NNFCTFXYNQFMBL-UHFFFAOYSA-N 0 0 342.760 3.063 50 10 EGCARN COc1ccccc1NNC=C1C(C)=NN(c2ccc(C)cc2)C1=O ZINC000005414546 452869572 /nfs/dbraw/zinc/86/95/72/452869572.db2.gz MWBVOARDQJNQOS-VBKFSLOCSA-N 0 0 336.395 3.227 50 10 EGCARN COc1ccccc1N1C(=O)/C(=C\c2ccncc2)SC1=S ZINC000005845834 452906329 /nfs/dbraw/zinc/90/63/29/452906329.db2.gz KQWACWDMZMAVBC-GXDHUFHOSA-N 0 0 328.418 3.496 50 10 EGCARN CCCCSCc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC ZINC000006531057 452950818 /nfs/dbraw/zinc/95/08/18/452950818.db2.gz ZUEZJFKUYRXIFH-UHFFFAOYSA-N 0 0 342.461 3.043 50 10 EGCARN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000008741307 453231119 /nfs/dbraw/zinc/23/11/19/453231119.db2.gz UXJNEWZFTPBPAA-UHFFFAOYSA-N 0 0 339.420 3.157 50 10 EGCARN C[NH+](C)Cc1c([O-])ccc(C(=O)COc2ccc(Cl)cc2)c1O ZINC000025559213 453778038 /nfs/dbraw/zinc/77/80/38/453778038.db2.gz PMMMCUOBJPEWDH-UHFFFAOYSA-N 0 0 335.787 3.075 50 10 EGCARN O=C(COc1ccc(F)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000065362469 454554352 /nfs/dbraw/zinc/55/43/52/454554352.db2.gz SDAWYBHIGHRYEK-UHFFFAOYSA-N 0 0 328.387 3.121 50 10 EGCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCN1CCCC1 ZINC000604404497 460422431 /nfs/dbraw/zinc/42/24/31/460422431.db2.gz OTDPSXCDGNFWAT-UHFFFAOYSA-N 0 0 344.414 3.309 50 10 biogenic EGCARN CCc1ccc(CN2CCN(c3ccc(OC)cc3)C[C@@H]2C)nc1 ZINC000216321264 536176546 /nfs/dbraw/zinc/17/65/46/536176546.db2.gz PANQMHXRVTUDFR-INIZCTEOSA-N 0 0 325.456 3.363 50 10 EGCARN COc1ccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c(OC)c1 ZINC000000066702 209397469 /nfs/dbraw/zinc/39/74/69/209397469.db2.gz BDVVBTCSXHHDPD-YBEGLDIGSA-N 0 0 346.452 3.406 50 10 EGCARN CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2cccnc2)ccc1O ZINC000020541864 212145599 /nfs/dbraw/zinc/14/55/99/212145599.db2.gz HPWMVTYCEYQSGY-SFHVURJKSA-N 0 0 340.423 3.372 50 10 EGCARN CNC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000011647117 211230020 /nfs/dbraw/zinc/23/00/20/211230020.db2.gz RRXXJAGMUWNATC-UHFFFAOYSA-N 0 0 327.409 3.030 50 10 EGCARN O=C1N=C(N2CCc3ccccc3C2)S/C1=C/c1ccc(O)cc1 ZINC000015276387 296354967 /nfs/dbraw/zinc/35/49/67/296354967.db2.gz QICNHAKVGSJKIJ-GZTJUZNOSA-N 0 0 336.416 3.421 50 10 EGCARN O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1Cc1ccco1 ZINC000005371242 210450970 /nfs/dbraw/zinc/45/09/70/210450970.db2.gz DYMSKBAEOCREQH-QPEQYQDCSA-N 0 0 333.390 3.092 50 10 EGCARN COC(=O)c1sc2nc(C3CC3)c(Br)cc2c1N ZINC000043827433 277456905 /nfs/dbraw/zinc/45/69/05/277456905.db2.gz QUZNZDKGPANPJC-UHFFFAOYSA-N 0 0 327.203 3.305 50 10 EGCARN CC1CCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)CC1 ZINC000000039163 452494255 /nfs/dbraw/zinc/49/42/55/452494255.db2.gz CQIRARNWTQEICQ-VBKFSLOCSA-N 0 0 329.469 3.455 50 10 EGCARN CCCC1=NN2C(=NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=N)S1 ZINC000000106985 452508647 /nfs/dbraw/zinc/50/86/47/452508647.db2.gz RZVWCRIFXQSQIA-JADYNCEHSA-N 0 0 341.440 3.172 50 10 EGCARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000000113015 452510704 /nfs/dbraw/zinc/51/07/04/452510704.db2.gz YXZZMEVYWAEBFK-PDGQHHTCSA-N 0 0 349.386 3.265 50 10 EGCARN CCN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000000483045 452606058 /nfs/dbraw/zinc/60/60/58/452606058.db2.gz MBNWQHDVZWRUIZ-CPNJWEJPSA-N 0 0 349.434 3.221 50 10 EGCARN CCOc1cc(N(CC)CC)ccc1C=C1SC(=S)NC1=O ZINC000001001217 452640191 /nfs/dbraw/zinc/64/01/91/452640191.db2.gz QWMYXNBUPLHMFL-NTEUORMPSA-N 0 0 336.482 3.420 50 10 EGCARN COc1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1 ZINC000002261515 452689919 /nfs/dbraw/zinc/68/99/19/452689919.db2.gz SZASBUVITJIUMH-ZROIWOOFSA-N 0 0 328.418 3.496 50 10 EGCARN CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000002666882 452713895 /nfs/dbraw/zinc/71/38/95/452713895.db2.gz JFPZDUQOEJDKCD-SEYXRHQNSA-N 0 0 332.450 3.400 50 10 EGCARN N=C1/C(=C/c2cccs2)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000006243080 452927764 /nfs/dbraw/zinc/92/77/64/452927764.db2.gz LLVPHKJAAZXBFS-YMKMMDQASA-N 0 0 344.446 3.477 50 10 EGCARN COc1cc([O-])c(C[NH+](C)C)c2oc(-c3ccccc3)cc(=O)c12 ZINC000012897004 453422783 /nfs/dbraw/zinc/42/27/83/453422783.db2.gz DZMCYZBSYGOKLB-UHFFFAOYSA-N 0 0 325.364 3.236 50 10 biogenic EGCARN COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000013121654 453446919 /nfs/dbraw/zinc/44/69/19/453446919.db2.gz AWLTZNYSZGISDM-CKXDQPNJSA-N 0 0 335.450 3.075 50 10 EGCARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(O)cc1 ZINC000013655860 453478994 /nfs/dbraw/zinc/47/89/94/453478994.db2.gz BWXXUFGRRUXBMA-ZSOIEALJSA-N 0 0 330.434 3.289 50 10 EGCARN CN(C)c1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1 ZINC000033880506 453917561 /nfs/dbraw/zinc/91/75/61/453917561.db2.gz LXDYSUBCLVUNFD-PTNGSMBKSA-N 0 0 347.509 3.007 50 10 EGCARN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000071384923 454206662 /nfs/dbraw/zinc/20/66/62/454206662.db2.gz HESXGVSUESRKLB-UHFFFAOYSA-N 0 0 344.842 3.415 50 10 EGCARN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(Cl)c1 ZINC000049740535 454558842 /nfs/dbraw/zinc/55/88/42/454558842.db2.gz SJVOYHGMIMVVRI-UHFFFAOYSA-N 0 0 345.830 3.498 50 10 EGCARN O=C1NN=C(c2ccccc2)C1=CNc1ccc(OC(F)(F)F)cc1 ZINC000100409157 219098369 /nfs/dbraw/zinc/09/83/69/219098369.db2.gz OYRDRKKJTKIXAX-UVTDQMKNSA-N 0 0 347.296 3.415 50 10 EGCARN CC[NH+](CC)Cc1c([O-])ccc(C(=O)Cc2ccc(OC)cc2)c1O ZINC000023135296 212353945 /nfs/dbraw/zinc/35/39/45/212353945.db2.gz JZUDWSGTXJCFEI-UHFFFAOYSA-N 0 0 343.423 3.374 50 10 EGCARN CCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1O)C2=O ZINC000019323933 212015084 /nfs/dbraw/zinc/01/50/84/212015084.db2.gz COWVOJYLTQZKSB-UHFFFAOYSA-N 0 0 328.456 3.178 50 10 EGCARN CCOc1cc(C=C2SC(Nc3cccnc3)=NC2=O)ccc1O ZINC000013814986 211643888 /nfs/dbraw/zinc/64/38/88/211643888.db2.gz WQVQCZIGOYUABN-DHDCSXOGSA-N 0 0 341.392 3.268 50 10 EGCARN Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000005027417 210366780 /nfs/dbraw/zinc/36/67/80/210366780.db2.gz AXPLBAORYVDULJ-AUWJEWJLSA-N 0 0 342.380 3.141 50 10 EGCARN COc1ccccc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000005007290 210358763 /nfs/dbraw/zinc/35/87/63/210358763.db2.gz QOELXJXGYNWZIH-LFIBNONCSA-N 0 0 337.335 3.410 50 10 EGCARN CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)O1 ZINC000014560090 276099442 /nfs/dbraw/zinc/09/94/42/276099442.db2.gz FSTNFJKGRSHPBO-UHFFFAOYSA-N 0 0 326.304 3.247 50 10 biogenic,in-vitro EGCARN Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)NC2=S)cc1 ZINC000000367366 452572504 /nfs/dbraw/zinc/57/25/04/452572504.db2.gz VIHSMGKUDVAWDM-ATVHPVEESA-N 0 0 337.448 3.323 50 10 EGCARN CN(C)c1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000001087664 452644586 /nfs/dbraw/zinc/64/45/86/452644586.db2.gz HAKYJFVGDFGUFB-GWQWUEFDSA-N 0 0 348.493 3.133 50 10 EGCARN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cnn(C)c2)SC1=S ZINC000006525219 452950739 /nfs/dbraw/zinc/95/07/39/452950739.db2.gz BLLIELLGLFCNMZ-GYBQTFJISA-N 0 0 329.450 3.383 50 10 EGCARN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3c4ccccc4c(=O)oc32)C[C@H](C)O1 ZINC000013125313 453446422 /nfs/dbraw/zinc/44/64/22/453446422.db2.gz PDSWZIXYNCJANZ-BETUJISGSA-N 0 0 339.391 3.261 50 10 EGCARN CSc1nnc2c(n1)OC(C)=Nc1ccc(Br)cc1-2 ZINC000015017047 453551758 /nfs/dbraw/zinc/55/17/58/453551758.db2.gz HEIZRRJTCJBKRL-UHFFFAOYSA-N 0 0 337.202 3.465 50 10 EGCARN COc1ccc(C2=NN(C)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 ZINC000018193416 453647788 /nfs/dbraw/zinc/64/77/88/453647788.db2.gz DIFUPDJQTJLKPE-BOPFTXTBSA-N 0 0 331.375 3.436 50 10 EGCARN CCn1ccnc1CN1CCN(c2ccc(OC)cc2)C(C)(C)C1 ZINC000072128363 454272587 /nfs/dbraw/zinc/27/25/87/454272587.db2.gz GVWYCSCINFNIFH-UHFFFAOYSA-N 0 0 328.460 3.012 50 10 EGCARN CC(=O)N1CCN(C(=S)c2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000004175573 210139499 /nfs/dbraw/zinc/13/94/99/210139499.db2.gz DJCWGJWVZYZJMD-UHFFFAOYSA-N 0 0 348.855 3.440 50 10 EGCARN Nc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N)cc3)c2)cc1 ZINC000000049889 209390930 /nfs/dbraw/zinc/39/09/30/209390930.db2.gz BEHKLEGNLJLVED-UHFFFAOYSA-N 0 0 346.390 3.356 50 10 EGCARN O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(O)c(O)c1 ZINC000000099119 284926493 /nfs/dbraw/zinc/92/64/93/284926493.db2.gz JLCLRTONUBKGKP-WZUFQYTHSA-N 0 0 332.153 3.353 50 10 EGCARN Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004860548 210305681 /nfs/dbraw/zinc/30/56/81/210305681.db2.gz IVVCQRVZRJDYAP-UKTHLTGXSA-N 0 0 344.417 3.134 50 10 EGCARN CCCn1ncnc1[C@H](C)NC(=O)c1c(C)c2cc(F)ccc2n1C ZINC000299786347 258093145 /nfs/dbraw/zinc/09/31/45/258093145.db2.gz LBRJJMHKBSMNFN-LBPRGKRZSA-N 0 0 343.406 3.118 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000003547523 135660859 /nfs/dbraw/zinc/66/08/59/135660859.db2.gz WTYQKIZNXMWXHK-UHFFFAOYSA-N 0 0 336.391 3.404 50 10 EGCARN CSc1ccc(C2OC(=O)C(=Cc3ccc(C)o3)C(=O)O2)cc1 ZINC000000460317 452598640 /nfs/dbraw/zinc/59/86/40/452598640.db2.gz OHMPHYKVZCNEKB-UHFFFAOYSA-N 0 0 330.361 3.492 50 10 EGCARN COc1ccc(Br)cc1/C=C1/SC(=S)N(C)C1=O ZINC000013389095 453462775 /nfs/dbraw/zinc/46/27/75/453462775.db2.gz ABFHLWOYDRMSRZ-UXBLZVDNSA-N 0 0 344.255 3.289 50 10 EGCARN CCOc1ccc(Br)c(C=C2SC(=S)NC2=O)c1 ZINC000015016455 453551748 /nfs/dbraw/zinc/55/17/48/453551748.db2.gz CSPNCTPXWLVGSU-POHAHGRESA-N 0 0 344.255 3.337 50 10 EGCARN N=C(c1cccc([N+](=O)[O-])c1)N(O)/N=N/c1cccc([N+](=O)[O-])c1 ZINC000015219123 453562299 /nfs/dbraw/zinc/56/22/99/453562299.db2.gz VIHAOCCCZHVCAG-LMRBUECKSA-N 0 0 330.260 3.218 50 10 EGCARN CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000015938862 453589712 /nfs/dbraw/zinc/58/97/12/453589712.db2.gz MBNWQHDVZWRUIZ-UYRXBGFRSA-N 0 0 349.434 3.221 50 10 EGCARN CCCOC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004514833 210210504 /nfs/dbraw/zinc/21/05/04/210210504.db2.gz YFJGPCNZGDDSPS-ZRDIBKRKSA-N 0 0 339.438 3.214 50 10 EGCARN CCOc1cccc(CNc2cc(OC)c(OC)c(OC)c2)c1O ZINC000044836373 213649334 /nfs/dbraw/zinc/64/93/34/213649334.db2.gz BXCBGPFJLPWAQE-UHFFFAOYSA-N 0 0 333.384 3.429 50 10 EGCARN COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)c(OC)c1 ZINC000038493609 213211377 /nfs/dbraw/zinc/21/13/77/213211377.db2.gz JEVHCNDRWVVDEM-QGZVFWFLSA-N 0 0 340.379 3.107 50 10 EGCARN Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cnn1C ZINC000035657222 213043843 /nfs/dbraw/zinc/04/38/43/213043843.db2.gz AHOKBNURRAORRJ-ZSOIEALJSA-N 0 0 329.450 3.130 50 10 EGCARN COc1cc(/C=C2\C(=O)N(c3cccc(F)c3)N=C2C)ccc1O ZINC000000356568 209548280 /nfs/dbraw/zinc/54/82/80/209548280.db2.gz SXYGQGXKACOPFS-NVNXTCNLSA-N 0 0 326.327 3.346 50 10 EGCARN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccco1 ZINC000000120574 209433592 /nfs/dbraw/zinc/43/35/92/209433592.db2.gz KNKOFJLWECLZIL-WJDWOHSUSA-N 0 0 339.347 3.165 50 10 EGCARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000019791868 212068307 /nfs/dbraw/zinc/06/83/07/212068307.db2.gz QXYORBWBBMQBNT-HZPDHXFCSA-N 0 0 326.440 3.386 50 10 aggregator EGCARN CSc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000010113310 135688645 /nfs/dbraw/zinc/68/86/45/135688645.db2.gz VPZLSDLQZCTMAX-UHFFFAOYSA-N 0 0 342.464 3.175 50 10 EGCARN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1 ZINC000000133258 452515378 /nfs/dbraw/zinc/51/53/78/452515378.db2.gz GKNLDPNMAIXGND-SDXDJHTJSA-N 0 0 349.459 3.479 50 10 EGCARN O=S(=O)([N-]c1cccc2ccccc21)c1cccc2nonc21 ZINC000000156178 452524835 /nfs/dbraw/zinc/52/48/35/452524835.db2.gz LZTXMVHCZHWAOQ-UHFFFAOYSA-N 0 0 325.349 3.177 50 10 EGCARN COc1ccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1OC ZINC000000545865 452619881 /nfs/dbraw/zinc/61/98/81/452619881.db2.gz NGDCZBHYYMIMHJ-YUSFRKCESA-N 0 0 346.452 3.406 50 10 EGCARN Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000001463794 452665992 /nfs/dbraw/zinc/66/59/92/452665992.db2.gz YCFLNCCUABHORO-CYBMUJFWSA-N 0 0 330.771 3.256 50 10 EGCARN O=C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004829913 452820007 /nfs/dbraw/zinc/82/00/07/452820007.db2.gz JTXHDKYIXSLUNZ-UHFFFAOYSA-N 0 0 343.338 3.420 50 10 EGCARN COC(=O)c1c(C)sc([C@H](O)C(=O)c2ccc(Cl)cc2)c1O ZINC000006667792 452967328 /nfs/dbraw/zinc/96/73/28/452967328.db2.gz DCIGUBPRPOQFEO-CYBMUJFWSA-N 0 0 340.784 3.118 50 10 EGCARN CCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2CC)C1=O ZINC000018069423 453642694 /nfs/dbraw/zinc/64/26/94/453642694.db2.gz XOPPTERTDOHIPO-SSZFMOIBSA-N 0 0 345.402 3.324 50 10 EGCARN Oc1cc2c(cc1[C@H](c1ccccc1Cl)N1CCOCC1)OCO2 ZINC000020720792 453668875 /nfs/dbraw/zinc/66/88/75/453668875.db2.gz XWAOYCUGAZVUTI-SFHVURJKSA-N 0 0 347.798 3.196 50 10 EGCARN CC1(C)OC(=O)C(C=Nc2ccc(Cl)cc2C(F)(F)F)C(=O)O1 ZINC000000215669 201448876 /nfs/dbraw/zinc/44/88/76/201448876.db2.gz DEPIBZPKMREFBT-UHFFFAOYSA-N 0 0 349.692 3.491 50 10 EGCARN O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCOCC3)c21 ZINC000218519658 241329087 /nfs/dbraw/zinc/32/90/87/241329087.db2.gz AXWLODUQMJPAOE-UHFFFAOYSA-N 0 0 343.404 3.263 50 10 EGCARN O=C1N=C2SC=C(c3ccccc3)N2C(=O)/C1=C\c1ccccc1O ZINC000000522583 296355860 /nfs/dbraw/zinc/35/58/60/296355860.db2.gz DGUSZDPDIRFPKO-UVTDQMKNSA-N 0 0 348.383 3.246 50 10 EGCARN COc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000006714987 135675460 /nfs/dbraw/zinc/67/54/60/135675460.db2.gz WKVHDTLUWLZLGC-UHFFFAOYSA-N 0 0 329.375 3.188 50 10 EGCARN O=C1c2ccccc2C(=O)c2c1ccc([N+](=O)[O-])c2N1CCCCC1 ZINC000003878657 275031390 /nfs/dbraw/zinc/03/13/90/275031390.db2.gz VDIVLEAJBVXRJD-UHFFFAOYSA-N 0 0 336.347 3.361 50 10 EGCARN CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 ZINC000000069732 452498553 /nfs/dbraw/zinc/49/85/53/452498553.db2.gz UHFNLDHHSVFCGK-QGZVFWFLSA-N 0 0 345.443 3.112 50 10 EGCARN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000000112865 452509961 /nfs/dbraw/zinc/50/99/61/452509961.db2.gz KSIFCLGHKPHRCR-WDZFZDKYSA-N 0 0 326.179 3.296 50 10 EGCARN CCCOC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000004859607 452820943 /nfs/dbraw/zinc/82/09/43/452820943.db2.gz CBELCQRABBKNTL-PKNBQFBNSA-N 0 0 341.479 3.293 50 10 EGCARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(O)ccc2ccccc21 ZINC000004899270 452826342 /nfs/dbraw/zinc/82/63/42/452826342.db2.gz JKXIPRSPSBTEGU-KRWDZBQOSA-N 0 0 340.379 3.079 50 10 EGCARN CC(C)Oc1ccc(Br)cc1C=C1SC(N)=NC1=O ZINC000005126356 452837729 /nfs/dbraw/zinc/83/77/29/452837729.db2.gz AYOBDFWXKDDMRV-WDZFZDKYSA-N 0 0 341.230 3.165 50 10 EGCARN CCN1C(=O)C(=Cc2cccc3ccccc23)C(=O)N(CC)C1=S ZINC000005455844 452874620 /nfs/dbraw/zinc/87/46/20/452874620.db2.gz HQIQTGMLGLNCOE-UHFFFAOYSA-N 0 0 338.432 3.219 50 10 EGCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000006715950 452976571 /nfs/dbraw/zinc/97/65/71/452976571.db2.gz PCGMPNFEIXTFGA-UHFFFAOYSA-N 0 0 346.814 3.438 50 10 EGCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2ccccc2)o1 ZINC000008767189 453232827 /nfs/dbraw/zinc/23/28/27/453232827.db2.gz AASFVLVHAXPEOP-UHFFFAOYSA-N 0 0 330.390 3.185 50 10 EGCARN Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)on1 ZINC000011693214 453332201 /nfs/dbraw/zinc/33/22/01/453332201.db2.gz MQCGDNMGHLFLFQ-UHFFFAOYSA-N 0 0 332.315 3.011 50 10 EGCARN CCc1ccc(-n2c(C)cc(/C=C3\NC(=S)NC3=O)c2C)cc1 ZINC000013810130 453490770 /nfs/dbraw/zinc/49/07/70/453490770.db2.gz LMFPXHZGEJPJRE-YBEGLDIGSA-N 0 0 325.437 3.002 50 10 EGCARN CCC12CN3CC(C)(CN(C1)C3c1c(O)ccc3ccccc31)C2=O ZINC000019323502 453656694 /nfs/dbraw/zinc/65/66/94/453656694.db2.gz FWYHSWWEJAATFT-UHFFFAOYSA-N 0 0 336.435 3.161 50 10 biogenic EGCARN COc1ccc2c(/C=C3\SC(=S)N(C)C3=O)c(C)n(C)c2c1 ZINC000057434724 454127752 /nfs/dbraw/zinc/12/77/52/454127752.db2.gz RBSYWVPXTQWMLD-ZSOIEALJSA-N 0 0 332.450 3.326 50 10 EGCARN CC[C@H](C)N1C(=O)C(=Cc2c[nH]c3ccccc23)C(=O)NC1=S ZINC000038170395 1291402345 /nfs/dbraw/zinc/40/23/45/1291402345.db2.gz GIMVWDZKPLKMMM-AAIQCTMTSA-N 0 0 327.409 3.433 50 10 EGCARN COc1ccc(OC)c(/C=C2/SC(N3CCC(C)CC3)=NC2=O)c1 ZINC000015218162 201952629 /nfs/dbraw/zinc/95/26/29/201952629.db2.gz PHHOZHRVGYRKRA-LFIBNONCSA-N 0 0 346.452 3.406 50 10 EGCARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000017072635 201984824 /nfs/dbraw/zinc/98/48/24/201984824.db2.gz BMLJSGHFSDBTIB-SECBINFHSA-N 0 0 349.799 3.016 50 10 EGCARN O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000033395913 202260441 /nfs/dbraw/zinc/26/04/41/202260441.db2.gz FDHWBIOMJMFEHN-MDWZMJQESA-N 0 0 349.173 3.160 50 10 EGCARN CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)C(=O)C2=O ZINC000004727497 201614194 /nfs/dbraw/zinc/61/41/94/201614194.db2.gz XMIHXAYKKLPBME-HWPZZCPQSA-N 0 0 339.313 3.218 50 10 EGCARN CC1(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2=O ZINC000004727498 201614690 /nfs/dbraw/zinc/61/46/90/201614690.db2.gz HDRBYMPWWLJACJ-MEDUHNTESA-N 0 0 339.313 3.218 50 10 EGCARN O=C1c2ccccc2C(=O)c2c3nc(-c4cccnc4)[nH]c3ccc21 ZINC000028643904 285022862 /nfs/dbraw/zinc/02/28/62/285022862.db2.gz IOBRUMYBBWCOCR-UHFFFAOYSA-N 0 0 325.327 3.400 50 10 EGCARN O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1cccnc1 ZINC000334161212 258015986 /nfs/dbraw/zinc/01/59/86/258015986.db2.gz WMGIGPSSZMBIRB-ZSOIEALJSA-N 0 0 345.424 3.492 50 10 EGCARN COc1ccc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000000215834 135647206 /nfs/dbraw/zinc/64/72/06/135647206.db2.gz SIXGPTCFNSBXEJ-UHFFFAOYSA-N 0 0 341.411 3.058 50 10 EGCARN CCc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 ZINC000012651367 135697375 /nfs/dbraw/zinc/69/73/75/135697375.db2.gz VRKIAHBAXMLJDF-UHFFFAOYSA-N 0 0 340.423 3.347 50 10 EGCARN O=C1c2ccccc2C(=O)c2c(I)cccc21 ZINC000003896786 275031404 /nfs/dbraw/zinc/03/14/04/275031404.db2.gz OZFDRTGKARBHQM-UHFFFAOYSA-N 0 0 334.112 3.067 50 10 EGCARN COC(=O)CNc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000000532004 452616546 /nfs/dbraw/zinc/61/65/46/452616546.db2.gz KFAFNRDRYLPBLG-UHFFFAOYSA-N 0 0 348.196 3.265 50 10 EGCARN CN(C)c1ccc(-n2cccc2C=C2SC(=S)NC2=O)cc1 ZINC000004675256 452813577 /nfs/dbraw/zinc/81/35/77/452813577.db2.gz SUEIHGZGINNOFI-GXDHUFHOSA-N 0 0 329.450 3.032 50 10 EGCARN COc1ccc(CN2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 ZINC000004706837 452814682 /nfs/dbraw/zinc/81/46/82/452814682.db2.gz YFRJPLYVHBNASC-GDNBJRDFSA-N 0 0 342.445 3.492 50 10 EGCARN CC1(C)[C@H]2CC[C@]1(C(=O)Nc1ccccc1C(F)(F)F)C(=O)C2=O ZINC000004727496 452815134 /nfs/dbraw/zinc/81/51/34/452815134.db2.gz XMIHXAYKKLPBME-MGPLVRAMSA-N 0 0 339.313 3.218 50 10 EGCARN COc1ccc(N2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000006703827 452974484 /nfs/dbraw/zinc/97/44/84/452974484.db2.gz MDZLIUSYWRUMLA-UHFFFAOYSA-N 0 0 325.412 3.358 50 10 EGCARN COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1O ZINC000013547678 453470872 /nfs/dbraw/zinc/47/08/72/453470872.db2.gz RYEAJPWCDXUMNK-PTNGSMBKSA-N 0 0 332.425 3.247 50 10 EGCARN COc1ccccc1C=C1SC(Nc2cccc(O)c2)=NC1=O ZINC000017196045 453631246 /nfs/dbraw/zinc/63/12/46/453631246.db2.gz SPVHMWDGHSCCIT-DHDCSXOGSA-N 0 0 326.377 3.483 50 10 EGCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000018101285 453643556 /nfs/dbraw/zinc/64/35/56/453643556.db2.gz IBQPVPAYKGKVEE-UHFFFAOYSA-N 0 0 332.768 3.355 50 10 EGCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C[C@H](C)O1 ZINC000018143447 453644972 /nfs/dbraw/zinc/64/49/72/453644972.db2.gz JBFRKTYSNJDQCQ-FGLUKDLVSA-N 0 0 336.844 3.420 50 10 EGCARN CC1(C)OC(=O)C(C=Nc2nc(-c3ccc(F)cc3)cs2)C(=O)O1 ZINC000035592624 453924323 /nfs/dbraw/zinc/92/43/23/453924323.db2.gz AQXIJAPOBNNFSY-UHFFFAOYSA-N 0 0 348.355 3.081 50 10 EGCARN CCOC1=NN(c2ccccc2)C(=O)C1=CNCc1cccs1 ZINC000100249998 454464870 /nfs/dbraw/zinc/46/48/70/454464870.db2.gz QFNJJBDVUALULM-QINSGFPZSA-N 0 0 327.409 3.118 50 10 EGCARN CC(=O)Nc1ccc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000100497964 454466130 /nfs/dbraw/zinc/46/61/30/454466130.db2.gz QVEQGXSILYWOOR-LDADJPATSA-N 0 0 334.379 3.364 50 10 EGCARN COCc1cc(C[NH2+]Cc2ccccc2-n2ccnc2)ccc1OC ZINC000952978584 1334629213 /nfs/dbraw/zinc/62/92/13/1334629213.db2.gz AXXORCLORYUGHW-UHFFFAOYSA-N 0 0 337.423 3.317 50 10 EGCARN COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1OC ZINC000012371168 201840997 /nfs/dbraw/zinc/84/09/97/201840997.db2.gz LLWTVMUXDKOSCA-PTNGSMBKSA-N 0 0 332.425 3.160 50 10 EGCARN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000012436991 201847842 /nfs/dbraw/zinc/84/78/42/201847842.db2.gz CUHFGIODLPWTBZ-GHXNOFRVSA-N 0 0 343.235 3.296 50 10 EGCARN Cc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000072328959 203200666 /nfs/dbraw/zinc/20/06/66/203200666.db2.gz XASXRWNMYPWEDT-UHFFFAOYSA-N 0 0 334.423 3.381 50 10 EGCARN Cc1cc(=O)oc2c1ccc1c2CN(c2ccc3c(c2)OCO3)CO1 ZINC000002117748 280306051 /nfs/dbraw/zinc/30/60/51/280306051.db2.gz BLFQIHQYYQJTKG-UHFFFAOYSA-N 0 0 337.331 3.187 50 10 biogenic EGCARN Cc1cc2c(nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n23)c(C)c1 ZINC000004498101 280683937 /nfs/dbraw/zinc/68/39/37/280683937.db2.gz YQQFNAPGEHWSDN-GZTJUZNOSA-N 0 0 349.459 3.140 50 10 EGCARN COc1ccccc1-c1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1 ZINC000000184138 452530720 /nfs/dbraw/zinc/53/07/20/452530720.db2.gz FDFFLGYHSZRRRL-UHFFFAOYSA-N 0 0 328.320 3.175 50 10 EGCARN Cc1cccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)c1 ZINC000000527242 452614825 /nfs/dbraw/zinc/61/48/25/452614825.db2.gz AZLGJKFLFXCUBE-UHFFFAOYSA-N 0 0 338.392 3.023 50 10 EGCARN CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccccc1[N+](=O)[O-] ZINC000000542794 452617408 /nfs/dbraw/zinc/61/74/08/452617408.db2.gz RZFRYVCSAPZFCQ-YVNCXZRQSA-N 0 0 349.390 3.232 50 10 EGCARN O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000001411685 452662661 /nfs/dbraw/zinc/66/26/61/452662661.db2.gz KQCDFCWLUDRTTP-NTUHNPAUSA-N 0 0 331.374 3.414 50 10 EGCARN CN(C)c1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 ZINC000004498604 452806267 /nfs/dbraw/zinc/80/62/67/452806267.db2.gz XQNWEBDHUKPBFV-LGMDPLHJSA-N 0 0 343.496 3.485 50 10 EGCARN CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccco3)c2)SC1=S ZINC000004718978 452815594 /nfs/dbraw/zinc/81/55/94/452815594.db2.gz LEMSJECQQZVZAI-UKTHLTGXSA-N 0 0 345.401 3.330 50 10 EGCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CC)C2=O)c(O)c1 ZINC000005127792 452838195 /nfs/dbraw/zinc/83/81/95/452838195.db2.gz KUGAHGGCNLNOTL-ZROIWOOFSA-N 0 0 336.482 3.460 50 10 EGCARN Cc1cc(C(=O)CSc2nc[nH]n2)c(C)n1-c1ccc(F)cc1 ZINC000005620762 452888676 /nfs/dbraw/zinc/88/86/76/452888676.db2.gz BNEBJTXYTAMTNA-UHFFFAOYSA-N 0 0 330.388 3.326 50 10 EGCARN Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(O)c(O)c1 ZINC000007129573 453036037 /nfs/dbraw/zinc/03/60/37/453036037.db2.gz JANNEQMZMHQJJJ-UHFFFAOYSA-N 0 0 340.404 3.473 50 10 EGCARN O=C1N=C(Nc2cccnc2)SC1=CC1=Cc2ccccc2OC1 ZINC000009422963 453253637 /nfs/dbraw/zinc/25/36/37/453253637.db2.gz POBLIQQWZCLEBG-CXUHLZMHSA-N 0 0 335.388 3.483 50 10 EGCARN Cc1cc(C(=O)CN2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000012625286 453385815 /nfs/dbraw/zinc/38/58/15/453385815.db2.gz QXYORBWBBMQBNT-IYBDPMFKSA-N 0 0 326.440 3.386 50 10 aggregator EGCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000017196692 453631012 /nfs/dbraw/zinc/63/10/12/453631012.db2.gz NNWLPFQBLCNFON-UHFFFAOYSA-N 0 0 332.768 3.355 50 10 EGCARN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cccc2nonc21 ZINC000032579196 202227743 /nfs/dbraw/zinc/22/77/43/202227743.db2.gz KOTPSQCRVVMHBL-UHFFFAOYSA-N 0 0 344.179 3.330 50 10 EGCARN Nc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)cc1 ZINC000003280969 283663401 /nfs/dbraw/zinc/66/34/01/283663401.db2.gz CDTNMMUXRATBRS-UHFFFAOYSA-N 0 0 333.303 3.131 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 ZINC000072331377 203202491 /nfs/dbraw/zinc/20/24/91/203202491.db2.gz SXTOJFKBJUCSAD-UHFFFAOYSA-N 0 0 348.805 3.450 50 10 EGCARN Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000010113619 211148404 /nfs/dbraw/zinc/14/84/04/211148404.db2.gz UBQFIZQTHALBQQ-UHFFFAOYSA-N 0 0 330.453 3.074 50 10 EGCARN COC(=O)C1=CN(c2ccccc2C)c2ccc(F)cc2S1(=O)=O ZINC000064979222 277311301 /nfs/dbraw/zinc/31/13/01/277311301.db2.gz OFCTXOYWOQZSNV-UHFFFAOYSA-N 0 0 347.367 3.074 50 10 EGCARN COc1cccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1OC ZINC000000088722 452503997 /nfs/dbraw/zinc/50/39/97/452503997.db2.gz BQNAGNASGSDMJM-PTNGSMBKSA-N 0 0 346.452 3.406 50 10 EGCARN O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000000730679 452633480 /nfs/dbraw/zinc/63/34/80/452633480.db2.gz KHONQAPNGLNKBE-RIYZIHGNSA-N 0 0 333.174 3.455 50 10 EGCARN Cc1nn(-c2ccccc2)c(Cl)c1C=C1SC(=S)NC1=O ZINC000001234206 452649169 /nfs/dbraw/zinc/64/91/69/452649169.db2.gz GZGZRNVWFMRFIZ-YRNVUSSQSA-N 0 0 335.841 3.323 50 10 EGCARN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O ZINC000004687770 452812227 /nfs/dbraw/zinc/81/22/27/452812227.db2.gz ORIZEWLEDYPLOP-MLDYKZIASA-N 0 0 346.452 3.358 50 10 EGCARN CCCCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000100912688 454468470 /nfs/dbraw/zinc/46/84/70/454468470.db2.gz OHKUOXNMAPQHTG-FOWTUZBSSA-N 0 0 330.388 3.371 50 10 EGCARN COC(=O)C1=CN(c2ccccc2C)c2cc(F)ccc2S1(=O)=O ZINC000064979175 290927357 /nfs/dbraw/zinc/92/73/57/290927357.db2.gz MZCKVUINQWOCDE-UHFFFAOYSA-N 0 0 347.367 3.074 50 10 EGCARN CC1=C(C(=O)OC(C)C)[C@H](c2c(O)ccc3ccccc32)NC(=O)N1 ZINC000000190168 201446735 /nfs/dbraw/zinc/44/67/35/201446735.db2.gz YBNPYPJBZINQFP-QGZVFWFLSA-N 0 0 340.379 3.125 50 10 EGCARN Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccco1 ZINC000000471236 201477994 /nfs/dbraw/zinc/47/79/94/201477994.db2.gz XWGGRWMNOYKCQL-UHFFFAOYSA-N 0 0 327.409 3.089 50 10 EGCARN COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C ZINC000001805597 201520248 /nfs/dbraw/zinc/52/02/48/201520248.db2.gz FYHCKNAQYIYBKZ-ZWKOTPCHSA-N 0 0 349.814 3.252 50 10 EGCARN C[C@@H](NC(=O)c1cc(COc2ccccc2)n[nH]1)c1ccccc1O ZINC000067802948 202935081 /nfs/dbraw/zinc/93/50/81/202935081.db2.gz GXBZBMIFHNTRDL-CYBMUJFWSA-N 0 0 337.379 3.185 50 10 EGCARN COc1ccc(N2CCN(C(=O)CCc3cccs3)[C@@H](C)C2)cc1 ZINC000072421476 203219825 /nfs/dbraw/zinc/21/98/25/203219825.db2.gz KMLDQSWFMFWSCH-HNNXBMFYSA-N 0 0 344.480 3.427 50 10 EGCARN CC1=C[C@H](OC(C)(C)C)[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]2C1 ZINC000102529986 204040922 /nfs/dbraw/zinc/04/09/22/204040922.db2.gz KQBFSZVDTUWIAF-SWHYSGLUSA-N 0 0 330.380 3.243 50 10 EGCARN Cc1nonc1N=NN(Cc1ccc(Cl)cc1)c1nonc1C ZINC000245328548 258000265 /nfs/dbraw/zinc/00/02/65/258000265.db2.gz UWPCJJNRIJBRJF-UHFFFAOYSA-N 0 0 333.739 3.428 50 10 EGCARN COc1ccccc1N1C(=O)/C(=C/c2cccn2C)SC1=S ZINC000002440704 452697104 /nfs/dbraw/zinc/69/71/04/452697104.db2.gz ILYZEABLZNDFAN-UVTDQMKNSA-N 0 0 330.434 3.440 50 10 EGCARN CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000005018875 452832498 /nfs/dbraw/zinc/83/24/98/452832498.db2.gz UNFYFGWTAKWPML-UXBLZVDNSA-N 0 0 328.802 3.469 50 10 EGCARN COc1cccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c1 ZINC000005157846 452839909 /nfs/dbraw/zinc/83/99/09/452839909.db2.gz NVDFUGFPBJTIBA-UVTDQMKNSA-N 0 0 330.434 3.440 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000008138762 453166787 /nfs/dbraw/zinc/16/67/87/453166787.db2.gz NGPFFJUJKKEUSP-UHFFFAOYSA-N 0 0 335.407 3.139 50 10 EGCARN COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000013121653 453447459 /nfs/dbraw/zinc/44/74/59/453447459.db2.gz AWLTZNYSZGISDM-GFAPJHNFSA-N 0 0 335.450 3.075 50 10 EGCARN COc1cccc(C=C2SC(Nc3cccnc3)=NC2=O)c1OC ZINC000013805460 453490270 /nfs/dbraw/zinc/49/02/70/453490270.db2.gz DTMKRZJKXSWLNM-ZROIWOOFSA-N 0 0 341.392 3.181 50 10 EGCARN COc1ccc(N2CCOCC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000041107641 453956211 /nfs/dbraw/zinc/95/62/11/453956211.db2.gz YQHKQLAEHQCALG-UHFFFAOYSA-N 0 0 346.814 3.438 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3csc(C)c3C)CC2)cc1 ZINC000002770427 536690882 /nfs/dbraw/zinc/69/08/82/536690882.db2.gz APQXWBHASNJEIC-UHFFFAOYSA-N 0 0 330.453 3.336 50 10 EGCARN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccco2)cc1 ZINC000028231990 202167707 /nfs/dbraw/zinc/16/77/07/202167707.db2.gz QBQPFRRCLXSJOJ-QGZVFWFLSA-N 0 0 328.412 3.167 50 10 EGCARN CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC ZINC000000076641 201431158 /nfs/dbraw/zinc/43/11/58/201431158.db2.gz OQGWKSBHRUEOII-UHFFFAOYSA-N 0 0 346.379 3.238 50 10 EGCARN COc1ccccc1N1C(=O)/C(=C\c2ccccn2)SC1=S ZINC000004819202 201620390 /nfs/dbraw/zinc/62/03/90/201620390.db2.gz HDOQDBHHSAXLBG-GXDHUFHOSA-N 0 0 328.418 3.496 50 10 EGCARN CCOc1ccccc1NC(=O)c1cn(Cc2ccc(N)cc2)cn1 ZINC000071775351 203111420 /nfs/dbraw/zinc/11/14/20/203111420.db2.gz FUXNHSHVMUCNJK-UHFFFAOYSA-N 0 0 336.395 3.165 50 10 EGCARN CNC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccccc1 ZINC000044086276 204296047 /nfs/dbraw/zinc/29/60/47/204296047.db2.gz JFFQBTFMCPCSGS-UHFFFAOYSA-N 0 0 337.448 3.437 50 10 EGCARN COc1ccc2c3ccc([O-])c(C[NH+]4CCCC4)c3oc(=O)c2c1 ZINC000005060212 295278634 /nfs/dbraw/zinc/27/86/34/295278634.db2.gz VSEBFIWWDHBKPU-UHFFFAOYSA-N 0 0 325.364 3.256 50 10 EGCARN CN(C)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 ZINC000000070871 452497883 /nfs/dbraw/zinc/49/78/83/452497883.db2.gz MGPZONVMYHSLGN-YBEGLDIGSA-N 0 0 337.335 3.005 50 10 EGCARN CN(C)c1ccc([C@@H]2C[C@H](c3ccccc3O)Nc3ncnn32)cc1 ZINC000000389012 452578161 /nfs/dbraw/zinc/57/81/61/452578161.db2.gz MQINXXDZUBRUQS-SJORKVTESA-N 0 0 335.411 3.196 50 10 EGCARN CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2OC)C1=O ZINC000004675520 452813297 /nfs/dbraw/zinc/81/32/97/452813297.db2.gz FHXXEOHJYKJDGM-XNTDXEJSSA-N 0 0 332.425 3.352 50 10 EGCARN CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000004818080 452819357 /nfs/dbraw/zinc/81/93/57/452819357.db2.gz YFWCAEVIGAIXBT-FOWTUZBSSA-N 0 0 345.406 3.435 50 10 EGCARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000004950406 452826823 /nfs/dbraw/zinc/82/68/23/452826823.db2.gz PCUFWOHPVHWOTL-UHFFFAOYSA-N 0 0 342.760 3.063 50 10 EGCARN CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccccc1[N+](=O)[O-] ZINC000005164868 452843155 /nfs/dbraw/zinc/84/31/55/452843155.db2.gz RZFRYVCSAPZFCQ-SGWGQVFISA-N 0 0 349.390 3.232 50 10 EGCARN Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)c(O)c1 ZINC000005962321 452914159 /nfs/dbraw/zinc/91/41/59/452914159.db2.gz IKMHRJJFTHORTP-HNNXBMFYSA-N 0 0 329.425 3.179 50 10 EGCARN CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(OC)cc2)SC1=S ZINC000008568519 453215349 /nfs/dbraw/zinc/21/53/49/453215349.db2.gz NNZSGCAUIWFSLU-JYRVWZFOSA-N 0 0 345.449 3.306 50 10 EGCARN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1C1CCCCC1 ZINC000008769041 453232436 /nfs/dbraw/zinc/23/24/36/453232436.db2.gz QWNRTVZJEMWYAC-UHFFFAOYSA-N 0 0 331.441 3.365 50 10 EGCARN CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000009190117 453245768 /nfs/dbraw/zinc/24/57/68/453245768.db2.gz RCRPWEJUSTYDNB-QTNMRXCUSA-N 0 0 349.477 3.466 50 10 EGCARN O=C1/C(=C/c2ccccc2O)SC(=S)N1Cc1cccnc1 ZINC000013482622 453466364 /nfs/dbraw/zinc/46/63/64/453466364.db2.gz RHMTUKRMXLQTHZ-ZSOIEALJSA-N 0 0 328.418 3.189 50 10 EGCARN Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccccc3)sc2n1 ZINC000013575276 453472960 /nfs/dbraw/zinc/47/29/60/453472960.db2.gz RLDMAYKINNCLGU-UHFFFAOYSA-N 0 0 326.377 3.227 50 10 EGCARN COc1ccc(N2CCN(C(=O)[C@@]3(C)CCCCO3)CC2(C)C)cc1 ZINC000091915113 454488349 /nfs/dbraw/zinc/48/83/49/454488349.db2.gz UPWGQZJGDOEVOQ-HXUWFJFHSA-N 0 0 346.471 3.082 50 10 EGCARN CC1(C)C[C@]1(C(=O)NCc1ccc(O)cc1O)c1ccccc1F ZINC000216072930 534939941 /nfs/dbraw/zinc/93/99/41/534939941.db2.gz DCBYALXZPUTFDP-LJQANCHMSA-N 0 0 329.371 3.221 50 10 EGCARN Cc1ccccc1CS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000013672369 201906273 /nfs/dbraw/zinc/90/62/73/201906273.db2.gz RPTSTOZAOZEREL-UHFFFAOYSA-N 0 0 344.480 3.215 50 10 EGCARN COc1cccc(-c2ccc(O)c(CN(C)Cc3ccon3)c2)n1 ZINC000020908291 202058385 /nfs/dbraw/zinc/05/83/85/202058385.db2.gz PASYCQNHMSSGIX-UHFFFAOYSA-N 0 0 325.368 3.083 50 10 EGCARN Nc1ccc(Cn2cnc(-c3nc(-c4cccc(F)c4)no3)c2)cc1 ZINC000021729842 202069839 /nfs/dbraw/zinc/06/98/39/202069839.db2.gz CGWRDDDPKQGUBY-UHFFFAOYSA-N 0 0 335.342 3.370 50 10 EGCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000004855798 201623627 /nfs/dbraw/zinc/62/36/27/201623627.db2.gz VCDIAHSIVJLKLO-PDGQHHTCSA-N 0 0 349.386 3.226 50 10 EGCARN O=C(NCc1ccccc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000004623115 201608309 /nfs/dbraw/zinc/60/83/09/201608309.db2.gz ZFSLIHOIBNUWIM-UHFFFAOYSA-N 0 0 344.374 3.457 50 10 EGCARN Cc1cc(C(=O)CN2CCOCC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000019902730 212081701 /nfs/dbraw/zinc/08/17/01/212081701.db2.gz 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CN(C)/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100255253 454465136 /nfs/dbraw/zinc/46/51/36/454465136.db2.gz CJZBLACDLAMRMR-BQYQJAHWSA-N 0 0 340.330 3.007 50 10 EGCARN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O ZINC000004284235 210160859 /nfs/dbraw/zinc/16/08/59/210160859.db2.gz PODGVDRDSYZZDI-UHFFFAOYSA-N 0 0 342.760 3.063 50 10 EGCARN Cc1nonc1/N=N/N(Cc1ccccc1Cl)c1nonc1C ZINC000004188563 210142410 /nfs/dbraw/zinc/14/24/10/210142410.db2.gz RAEDXJQBTWEEEO-HMMYKYKNSA-N 0 0 333.739 3.428 50 10 EGCARN N=C1/C(=C/c2ccccc2)C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000005101987 283269126 /nfs/dbraw/zinc/26/91/26/283269126.db2.gz WGJZKQFFCYYIRA-JCOXHHPGSA-N 0 0 332.388 3.354 50 10 EGCARN COCC[NH2+]Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1[O-] ZINC000008765216 211002111 /nfs/dbraw/zinc/00/21/11/211002111.db2.gz KECXQWXLJJPVCH-UHFFFAOYSA-N 0 0 339.391 3.210 50 10 biogenic EGCARN COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccccc2)c1 ZINC000007496657 210808393 /nfs/dbraw/zinc/80/83/93/210808393.db2.gz KFBASLAOAXIXDZ-JXMROGBWSA-N 0 0 338.407 3.184 50 10 EGCARN O=C1Nc2ccccc2/C1=C1/SC(=S)N(Cc2ccco2)C1=O ZINC000000977233 284928159 /nfs/dbraw/zinc/92/81/59/284928159.db2.gz UANAQGIEGOTVNF-SEYXRHQNSA-N 0 0 342.401 3.003 50 10 EGCARN Cc1ccc(N2NC(=O)/C(=C/c3c(O)ccc4ccccc43)C2=O)cc1 ZINC000334162942 258015824 /nfs/dbraw/zinc/01/58/24/258015824.db2.gz IFDVJGASJBQSJG-PDGQHHTCSA-N 0 0 344.370 3.315 50 10 EGCARN Cc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 ZINC000004657462 280754242 /nfs/dbraw/zinc/75/42/42/280754242.db2.gz JCDCQDDVTURYMW-DIQJHTJGSA-N 0 0 347.403 3.057 50 10 EGCARN CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OC ZINC000000104015 452508847 /nfs/dbraw/zinc/50/88/47/452508847.db2.gz LHAAJWYSWRSBSD-UHFFFAOYSA-N 0 0 348.395 3.340 50 10 EGCARN CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C ZINC000000202497 452534819 /nfs/dbraw/zinc/53/48/19/452534819.db2.gz SCVQDPXAMFBHQS-LICLKQGHSA-N 0 0 341.386 3.357 50 10 aggregator EGCARN CCC(=O)OCCNc1ccc2noc3c2c1C(=O)c1ccccc1-3 ZINC000002294811 452693411 /nfs/dbraw/zinc/69/34/11/452693411.db2.gz LBTHHLSFUIXRSP-UHFFFAOYSA-N 0 0 336.347 3.404 50 10 EGCARN CCn1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cn1 ZINC000002797787 452725590 /nfs/dbraw/zinc/72/55/90/452725590.db2.gz FCVCCRFNEQWLJB-XNTDXEJSSA-N 0 0 343.477 3.347 50 10 EGCARN COCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)C(C(=O)OC)=C1C ZINC000002814171 452728628 /nfs/dbraw/zinc/72/86/28/452728628.db2.gz VBRNMQXONBSLSQ-ATVHPVEESA-N 0 0 343.423 3.129 50 10 EGCARN O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(O)cc1 ZINC000005348694 452862742 /nfs/dbraw/zinc/86/27/42/452862742.db2.gz YZVUEWHNJVXMMY-RIYZIHGNSA-N 0 0 345.401 3.209 50 10 EGCARN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000005395090 452867306 /nfs/dbraw/zinc/86/73/06/452867306.db2.gz HPECCBUHLXJVOT-CYVLTUHYSA-N 0 0 347.418 3.138 50 10 EGCARN COc1ccccc1N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000005845846 452905806 /nfs/dbraw/zinc/90/58/06/452905806.db2.gz FSYIJQZGHVIQFL-NTEUORMPSA-N 0 0 328.418 3.496 50 10 EGCARN Oc1ccc(Cl)cc1[C@@H]1C[C@H](c2ccc(F)cc2)n2nnnc2N1 ZINC000006669662 452966704 /nfs/dbraw/zinc/96/67/04/452966704.db2.gz IKFLIAGZJDIMMG-UONOGXRCSA-N 0 0 345.765 3.318 50 10 EGCARN Cc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)on1 ZINC000012422532 453363051 /nfs/dbraw/zinc/36/30/51/453363051.db2.gz LEDQJNLTWYUFED-UHFFFAOYSA-N 0 0 332.315 3.011 50 10 EGCARN COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 ZINC000013122745 453447671 /nfs/dbraw/zinc/44/76/71/453447671.db2.gz MJQQBOXPZXZXCU-CKXDQPNJSA-N 0 0 335.450 3.075 50 10 EGCARN O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000015008525 453550557 /nfs/dbraw/zinc/55/05/57/453550557.db2.gz IWCPXUMENRJUAF-VGOFMYFVSA-N 0 0 342.401 3.216 50 10 EGCARN COc1ccc(C2=NN(C)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1 ZINC000018193413 453646833 /nfs/dbraw/zinc/64/68/33/453646833.db2.gz CAQJJPDFUYFWSF-AQTBWJFISA-N 0 0 335.407 3.021 50 10 EGCARN Cc1nc2ccccc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000028191003 453822488 /nfs/dbraw/zinc/82/24/88/453822488.db2.gz YAGCOPGDGLCFSS-UHFFFAOYSA-N 0 0 326.377 3.324 50 10 EGCARN CCN(CC)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1 ZINC000252670701 455826490 /nfs/dbraw/zinc/82/64/90/455826490.db2.gz LMKDNNMPFCUKBE-UHFFFAOYSA-N 0 0 349.459 3.303 50 10 EGCARN C[C@H](OC(=O)NCCc1ccc(O)c(O)c1)c1ccccc1[N+](=O)[O-] ZINC000098052565 219073885 /nfs/dbraw/zinc/07/38/85/219073885.db2.gz PDNNZLULXSQJGZ-NSHDSACASA-N 0 0 346.339 3.036 50 10 in-vitro EGCARN COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2C)cc1 ZINC000044085576 213607737 /nfs/dbraw/zinc/60/77/37/213607737.db2.gz YNHWICZLAXJIMS-UHFFFAOYSA-N 0 0 345.468 3.200 50 10 EGCARN COc1ccc(N2CCN(Cc3ccncc3Cl)[C@H](C)C2)cc1 ZINC000215478225 241128208 /nfs/dbraw/zinc/12/82/08/241128208.db2.gz PKGAYZSMHRKKTF-CQSZACIVSA-N 0 0 331.847 3.454 50 10 EGCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(F)F ZINC000007058162 208580271 /nfs/dbraw/zinc/58/02/71/208580271.db2.gz SAAGJTKBPGEAOC-UXBLZVDNSA-N 0 0 331.365 3.128 50 10 EGCARN COc1cccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c1 ZINC000002227410 278015355 /nfs/dbraw/zinc/01/53/55/278015355.db2.gz YPBZASHWIZOPBB-ZROIWOOFSA-N 0 0 328.418 3.496 50 10 EGCARN CN1CCN(C2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)CC1 ZINC000019958453 290037820 /nfs/dbraw/zinc/03/78/20/290037820.db2.gz KLTPZWVHSBTYCU-DTQAZKPQSA-N 0 0 343.496 3.202 50 10 EGCARN C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)C[C@@H](C)O1 ZINC000001288567 452651359 /nfs/dbraw/zinc/65/13/59/452651359.db2.gz KSHCHYOIEUKLGN-QOWMEECXSA-N 0 0 336.844 3.420 50 10 EGCARN O=C1/C(=C/c2ccco2)SC(=S)N1Cc1ccc2c(c1)OCO2 ZINC000002252941 452690391 /nfs/dbraw/zinc/69/03/91/452690391.db2.gz XHPILQCQSJNICC-AUWJEWJLSA-N 0 0 345.401 3.410 50 10 EGCARN Cc1ccc(-c2csc(N=CC3C(=O)OC(C)(C)OC3=O)n2)cc1 ZINC000002543494 452704338 /nfs/dbraw/zinc/70/43/38/452704338.db2.gz GOZNRJONTNNVAT-UHFFFAOYSA-N 0 0 344.392 3.250 50 10 EGCARN C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)C1 ZINC000004844740 452822003 /nfs/dbraw/zinc/82/20/03/452822003.db2.gz NLZMFOJBQKDOBV-XDUBLRSXSA-N 0 0 329.469 3.455 50 10 EGCARN CC(=O)N(/C=C/C=CC=C1SC(=S)NC1=O)c1ccccc1 ZINC000016102001 453595045 /nfs/dbraw/zinc/59/50/45/453595045.db2.gz PMHHNHPLHIUGHN-RTXGMDRESA-N 0 0 330.434 3.141 50 10 EGCARN Cc1ccc(-c2cnc(SCC(N)=O)n2Cc2ccco2)cc1 ZINC000044085396 454088144 /nfs/dbraw/zinc/08/81/44/454088144.db2.gz ZEAMBNBJKICWNR-UHFFFAOYSA-N 0 0 327.409 3.077 50 10 EGCARN Cc1cccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 ZINC000015823280 1291161298 /nfs/dbraw/zinc/16/12/98/1291161298.db2.gz IKGLRHOXUNCUGM-BMWAZNHVSA-N 0 0 338.314 3.176 50 10 EGCARN COc1ccc(N2N=C(C)C(=C(C)NCc3ccco3)C2=O)cc1 ZINC000100422780 219099205 /nfs/dbraw/zinc/09/92/05/219099205.db2.gz LYPZEIWJIFQRQZ-ATVHPVEESA-N 0 0 325.368 3.075 50 10 EGCARN Cc1cc2ccccn2c1C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002577178 209869864 /nfs/dbraw/zinc/86/98/64/209869864.db2.gz GFZGMYURTNPEHX-UHFFFAOYSA-N 0 0 339.376 3.261 50 10 EGCARN COc1ccccc1Oc1coc2c(ccc([O-])c2C[NH+](C)C)c1=O ZINC000020357805 212122674 /nfs/dbraw/zinc/12/26/74/212122674.db2.gz PNRQNTHNZGMQJX-UHFFFAOYSA-N 0 0 341.363 3.361 50 10 EGCARN O=C(Oc1cccc(/C=C2\SC(=S)NC2=O)c1)c1ccccc1 ZINC000012375940 211360238 /nfs/dbraw/zinc/36/02/38/211360238.db2.gz NVCYPDIMHXGUSQ-UVTDQMKNSA-N 0 0 341.413 3.395 50 10 EGCARN O=c1c2ccccc2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O ZINC000004253316 275043105 /nfs/dbraw/zinc/04/31/05/275043105.db2.gz BARVYLKNIVAHDY-UHFFFAOYSA-N 0 0 325.323 3.457 50 10 biogenic EGCARN Cc1ccc(C2=NN3C(=NC(=O)/C(=C\c4ccco4)C3=N)S2)cc1 ZINC000002124726 280801651 /nfs/dbraw/zinc/80/16/51/280801651.db2.gz UKOXLQUAZTYWGO-KXXGJRMMSA-N 0 0 336.376 3.255 50 10 EGCARN Cc1ccc(-c2ccc(C(=S)N3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000000549954 452619971 /nfs/dbraw/zinc/61/99/71/452619971.db2.gz JNQROXQGVWRGBH-UHFFFAOYSA-N 0 0 332.381 3.171 50 10 EGCARN COc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 ZINC000001130290 452645852 /nfs/dbraw/zinc/64/58/52/452645852.db2.gz UMHRKCXTSVVXOB-UVTDQMKNSA-N 0 0 328.418 3.496 50 10 EGCARN O=C1OC2(CCCCC2)OC(=O)C1=Cc1occc1Br ZINC000002532431 452703587 /nfs/dbraw/zinc/70/35/87/452703587.db2.gz FQKFKJJSNQNFOK-UHFFFAOYSA-N 0 0 341.157 3.186 50 10 EGCARN COC(=O)c1ccc(N2N=C(C)/C(=C/C=C/c3ccco3)C2=O)cc1 ZINC000005657144 452892065 /nfs/dbraw/zinc/89/20/65/452892065.db2.gz XBKUYJQTXYKVDT-CZMAMTTRSA-N 0 0 336.347 3.429 50 10 EGCARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(C)C ZINC000007361241 453064948 /nfs/dbraw/zinc/06/49/48/453064948.db2.gz PZLAUQXNRSPPFL-UHFFFAOYSA-N 0 0 349.408 3.348 50 10 EGCARN CCc1cccc2c1NC(=O)/C2=C1\C(C)=NN(c2ccccc2)C1=O ZINC000015015671 453551338 /nfs/dbraw/zinc/55/13/38/453551338.db2.gz JRZPKZBIXWJSGU-WUKNDPDISA-N 0 0 331.375 3.377 50 10 EGCARN CNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc21 ZINC000041146764 453957840 /nfs/dbraw/zinc/95/78/40/453957840.db2.gz QXJYCXWHVAYSMI-UHFFFAOYSA-N 0 0 349.438 3.007 50 10 EGCARN CCN1c2ccccc2/C(=C\c2cn(CC(N)=O)c3ccccc23)C1=O ZINC000004703705 210253377 /nfs/dbraw/zinc/25/33/77/210253377.db2.gz XGAYGMHXFXTUED-GZTJUZNOSA-N 0 0 345.402 3.034 50 10 EGCARN C/C(NC1CCCC1)=C1\C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000100028564 219089215 /nfs/dbraw/zinc/08/92/15/219089215.db2.gz NSMXHRUMUFVMFX-WJDWOHSUSA-N 0 0 328.372 3.124 50 10 EGCARN CCN1C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)SC1=S ZINC000004482062 210199250 /nfs/dbraw/zinc/19/92/50/210199250.db2.gz HFSTZIBNCNSJIS-NYYWCZLTSA-N 0 0 327.814 3.290 50 10 EGCARN O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccco1 ZINC000002056055 209815953 /nfs/dbraw/zinc/81/59/53/209815953.db2.gz NPUVQCOAWOJSFC-AUWJEWJLSA-N 0 0 345.401 3.410 50 10 EGCARN Cc1cccc(-c2n[nH]cc2C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000072329142 216153684 /nfs/dbraw/zinc/15/36/84/216153684.db2.gz JZHHEAPDIGMWNS-UHFFFAOYSA-N 0 0 334.423 3.381 50 10 EGCARN Cc1cc([C@@H]2c3[nH]cnc3CCN2Cc2cc(Cl)ccc2O)on1 ZINC000072477434 216256075 /nfs/dbraw/zinc/25/60/75/216256075.db2.gz BYKVGOWLTDRICC-QGZVFWFLSA-N 0 0 344.802 3.213 50 10 EGCARN CCOC(=O)c1c[nH]nc1N=Nc1c(OC)cc(OC)cc1OC ZINC000004817977 210286177 /nfs/dbraw/zinc/28/61/77/210286177.db2.gz RZSAJLBHHJNVML-HTXNQAPBSA-N 0 0 334.332 3.028 50 10 EGCARN CN1C(=O)/C(=C/c2coc3ccc(Cl)cc3c2=O)SC1=S ZINC000002325027 277005559 /nfs/dbraw/zinc/00/55/59/277005559.db2.gz ZELVBPDFQCCLQX-WCIBSUBMSA-N 0 0 337.809 3.277 50 10 EGCARN C[NH+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3F)coc21 ZINC000000302565 452558522 /nfs/dbraw/zinc/55/85/22/452558522.db2.gz BNYCKKHXUMQANO-UHFFFAOYSA-N 0 0 329.327 3.492 50 10 EGCARN CCC1(N(C(C)=O)c2ccc(OC)cc2)C(=O)c2ccccc2C1=O ZINC000000436564 452590336 /nfs/dbraw/zinc/59/03/36/452590336.db2.gz FWSSVSFMMDIQPL-UHFFFAOYSA-N 0 0 337.375 3.276 50 10 EGCARN O=C(NCc1ccco1)c1nc(-c2ccc(-n3cccc3)cc2)no1 ZINC000001432161 452665892 /nfs/dbraw/zinc/66/58/92/452665892.db2.gz ZHLBLIQXJVNAEO-UHFFFAOYSA-N 0 0 334.335 3.050 50 10 EGCARN COc1ccc(NNC=C2C(=O)N(c3ccc(F)cc3)N=C2C)cc1 ZINC000005910717 452909411 /nfs/dbraw/zinc/90/94/11/452909411.db2.gz JDMSKNXSBVXCPW-BOPFTXTBSA-N 0 0 340.358 3.057 50 10 EGCARN CCCCCN1c2ccccc2C(=C2SC(=S)NC2=O)C1=O ZINC000013615121 453474357 /nfs/dbraw/zinc/47/43/57/453474357.db2.gz DDORMDSQFBNRPW-SEYXRHQNSA-N 0 0 332.450 3.082 50 10 EGCARN COc1ccc(-n2c(C)cc(C=C3SC(=O)NC3=O)c2C)cc1 ZINC000013799448 453488701 /nfs/dbraw/zinc/48/87/01/453488701.db2.gz SMCNOSKTXTYUQD-DHDCSXOGSA-N 0 0 328.393 3.427 50 10 EGCARN Cc1ccc(-c2cnc(SCC(N)=O)n2Cc2ccccc2)cc1 ZINC000044085435 454088090 /nfs/dbraw/zinc/08/80/90/454088090.db2.gz IRIXWQUGEIIESX-UHFFFAOYSA-N 0 0 337.448 3.484 50 10 EGCARN Cn1cccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccc(N)cc1 ZINC000044790463 454120024 /nfs/dbraw/zinc/12/00/24/454120024.db2.gz MYYXUGSAJXPPBF-RGEXLXHISA-N 0 0 342.402 3.442 50 10 EGCARN Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065561132 454591611 /nfs/dbraw/zinc/59/16/11/454591611.db2.gz OSJIBRYKYAJWMT-QGZVFWFLSA-N 0 0 338.451 3.252 50 10 EGCARN CN1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)N(c2ccccc2)C1=O ZINC000016309555 1291172187 /nfs/dbraw/zinc/17/21/87/1291172187.db2.gz DKABTDRDWKDHBV-WJDWOHSUSA-N 0 0 345.358 3.177 50 10 EGCARN COc1ccc(NC=C2C(C)=NN(c3nc4ccccc4[nH]3)C2=O)cc1 ZINC000100178968 219094352 /nfs/dbraw/zinc/09/43/52/219094352.db2.gz MKYPAGXMARIHSB-RVDMUPIBSA-N 0 0 347.378 3.290 50 10 EGCARN O=C1OC2(CCCCC2)OC(=O)C1=CN=c1[nH]c2ccccc2s1 ZINC000100873958 219110325 /nfs/dbraw/zinc/11/03/25/219110325.db2.gz UBKVONOIODYZOQ-UHFFFAOYSA-N 0 0 344.392 3.353 50 10 EGCARN O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1CCCO ZINC000004064187 210111779 /nfs/dbraw/zinc/11/17/79/210111779.db2.gz PXZLHENVMRQADN-ZHACJKMWSA-N 0 0 345.402 3.431 50 10 biogenic EGCARN CC(=O)OCCNc1cc(C)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002026155 209813051 /nfs/dbraw/zinc/81/30/51/209813051.db2.gz OLQRDPQVVJYAOZ-UHFFFAOYSA-N 0 0 336.347 3.323 50 10 EGCARN COc1ccc(CN2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 ZINC000037865600 213171849 /nfs/dbraw/zinc/17/18/49/213171849.db2.gz MQGAFEIEODXTGX-GDNBJRDFSA-N 0 0 342.445 3.492 50 10 EGCARN Nc1ccc(NC2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000036075400 213059385 /nfs/dbraw/zinc/05/93/85/213059385.db2.gz ZROORQAMRHZDGP-UHFFFAOYSA-N 0 0 325.412 3.482 50 10 EGCARN Nc1c(C(=O)NC2CCCCC2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004184177 452794422 /nfs/dbraw/zinc/79/44/22/452794422.db2.gz QUIVFXGOEUAQDH-UHFFFAOYSA-N 0 0 348.402 3.107 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)no3)[C@@H](C)C2)cc1 ZINC000020868924 453669867 /nfs/dbraw/zinc/66/98/67/453669867.db2.gz QNSLWSRPFWWUNW-AWEZNQCLSA-N 0 0 343.427 3.158 50 10 EGCARN C[C@@H](NC(=O)Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000068462825 454028573 /nfs/dbraw/zinc/02/85/73/454028573.db2.gz GTKMZWGMSRPZQV-OAHLLOKOSA-N 0 0 325.412 3.406 50 10 EGCARN CC1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)O1 ZINC000004060779 210110886 /nfs/dbraw/zinc/11/08/86/210110886.db2.gz XVXIEQUZESIWPK-UHFFFAOYSA-N 0 0 338.359 3.485 50 10 EGCARN CC(=O)c1ccc(N2CCOCC2)c(-c2ccnc3c2ccn3C)c1 ZINC000072166954 216057038 /nfs/dbraw/zinc/05/70/38/216057038.db2.gz IHOQBKKONDOFOS-UHFFFAOYSA-N 0 0 335.407 3.280 50 10 EGCARN CCOc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)ccc1O ZINC000000051988 209390971 /nfs/dbraw/zinc/39/09/71/209390971.db2.gz 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ZINC000000390348 452578404 /nfs/dbraw/zinc/57/84/04/452578404.db2.gz LVIUGDPVWLKSQU-UHFFFAOYSA-N 0 0 336.303 3.182 50 10 EGCARN CCN1C(=O)C(=Cc2c[nH]nc2-c2ccc(F)cc2)SC1=S ZINC000002113002 452684842 /nfs/dbraw/zinc/68/48/42/452684842.db2.gz JFOGJEHTNMMNJT-GHXNOFRVSA-N 0 0 333.413 3.437 50 10 EGCARN COc1ccc(N2CCN(c3cc(=O)oc4ccccc43)CC2)cc1 ZINC000005738517 452899566 /nfs/dbraw/zinc/89/95/66/452899566.db2.gz KHPSZASQIAZHBG-UHFFFAOYSA-N 0 0 336.391 3.128 50 10 EGCARN CCOc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000013331722 453459888 /nfs/dbraw/zinc/45/98/88/453459888.db2.gz ORXUWRIYPYDERE-UHFFFAOYSA-N 0 0 340.423 3.056 50 10 EGCARN CC1=NN(c2ccccc2)C(=O)/C1=C1\C(C)=NN(c2ccccc2)C1=O ZINC000013466700 453464805 /nfs/dbraw/zinc/46/48/05/453464805.db2.gz YICZCQJFRONCSB-ISLYRVAYSA-N 0 0 344.374 3.128 50 10 EGCARN COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OC ZINC000096930756 454382788 /nfs/dbraw/zinc/38/27/88/454382788.db2.gz ZDQFNTYBJSIDOL-UXBLZVDNSA-N 0 0 329.830 3.188 50 10 EGCARN O=C1c2ccc3nc(-c4ccncc4)[nH]c3c2C(=O)[C@@H]2C=CCC=C12 ZINC000219035532 547241444 /nfs/dbraw/zinc/24/14/44/547241444.db2.gz KSFIWHOAKHULIV-CHWSQXEVSA-N 0 0 327.343 3.362 50 10 EGCARN O=C1/C(=C/c2cccc(O)c2O)SC(=S)N1Cc1ccccc1 ZINC000001093649 209710255 /nfs/dbraw/zinc/71/02/55/209710255.db2.gz ONAZKRHHQUOXCZ-ZROIWOOFSA-N 0 0 343.429 3.499 50 10 EGCARN Nc1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000000290814 209520460 /nfs/dbraw/zinc/52/04/60/209520460.db2.gz DMEWXUVINQOZAX-UHFFFAOYSA-N 0 0 338.148 3.126 50 10 EGCARN COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC ZINC000000063054 209395542 /nfs/dbraw/zinc/39/55/42/209395542.db2.gz LLWTVMUXDKOSCA-RVDMUPIBSA-N 0 0 332.425 3.160 50 10 EGCARN CC1(C)OC(=O)C(C=Nc2nc(-c3cccs3)cs2)C(=O)O1 ZINC000023127153 212351139 /nfs/dbraw/zinc/35/11/39/212351139.db2.gz QNWITWKGSWIOGI-UHFFFAOYSA-N 0 0 336.394 3.004 50 10 EGCARN O=C1c2ccccc2C(=O)N1Cc1cc(Cl)c2cccnc2c1O ZINC000002875238 296439836 /nfs/dbraw/zinc/43/98/36/296439836.db2.gz ZPSCQRPCVIBHLM-UHFFFAOYSA-N 0 0 338.750 3.390 50 10 EGCARN N=C1/C(=C/c2ccco2)C(=O)N=C2SC(C3CCCCC3)=NN21 ZINC000016184444 295023425 /nfs/dbraw/zinc/02/34/25/295023425.db2.gz BMXODUFCUHBECS-NAXSCAEVSA-N 0 0 328.397 3.479 50 10 EGCARN [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc(Cl)c2[O-])N1 ZINC000018209507 303360517 /nfs/dbraw/zinc/36/05/17/303360517.db2.gz SAMJRQNOFXVRHR-CYBMUJFWSA-N 0 0 348.193 3.145 50 10 EGCARN CCc1ccc(CN2CCN(c3ccc(OC)cc3)C[C@H]2C)nc1 ZINC000244764057 455277305 /nfs/dbraw/zinc/27/73/05/455277305.db2.gz PANQMHXRVTUDFR-MRXNPFEDSA-N 0 0 325.456 3.363 50 10 EGCARN CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000000190369 452531199 /nfs/dbraw/zinc/53/11/99/452531199.db2.gz FOJCZLNUKOZXMA-UHFFFAOYSA-N 0 0 328.437 3.095 50 10 EGCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 ZINC000000207166 452535143 /nfs/dbraw/zinc/53/51/43/452535143.db2.gz PKODMDBLGBUNJJ-UHFFFAOYSA-N 0 0 342.214 3.264 50 10 EGCARN Nc1ccc(Oc2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 ZINC000000265857 452549426 /nfs/dbraw/zinc/54/94/26/452549426.db2.gz BGDFTQNJGBLDBV-UHFFFAOYSA-N 0 0 345.358 3.252 50 10 EGCARN COc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 ZINC000002199605 452689962 /nfs/dbraw/zinc/68/99/62/452689962.db2.gz HDESJJTVNPSIRT-UVTDQMKNSA-N 0 0 330.434 3.440 50 10 EGCARN CCCCN1C(=O)C(=Cc2ccc(N(CC)CC)cc2)NC1=S ZINC000002752156 452718801 /nfs/dbraw/zinc/71/88/01/452718801.db2.gz HVBYISIWBRVCJU-SSZFMOIBSA-N 0 0 331.485 3.391 50 10 EGCARN Cc1ccc(S(=O)(=O)Nc2ccc(O)c([C@H]3CCCC3=O)c2)cc1 ZINC000005214457 452847982 /nfs/dbraw/zinc/84/79/82/452847982.db2.gz BUZHMYYNMRXSBL-OAHLLOKOSA-N 0 0 345.420 3.338 50 10 EGCARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000012591006 453379394 /nfs/dbraw/zinc/37/93/94/453379394.db2.gz OYPFFKNFHKOFDM-UUASQNMZSA-N 0 0 342.376 3.147 50 10 EGCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000013122397 453446203 /nfs/dbraw/zinc/44/62/03/453446203.db2.gz FKXZZMZLFWDHST-BOPFTXTBSA-N 0 0 336.391 3.054 50 10 EGCARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000017072636 453629335 /nfs/dbraw/zinc/62/93/35/453629335.db2.gz BMLJSGHFSDBTIB-VIFPVBQESA-N 0 0 349.799 3.016 50 10 EGCARN COc1ccc(NC=C2C(C)=NN(c3ccc(OC)cc3)C2=O)cc1 ZINC000101112625 454469141 /nfs/dbraw/zinc/46/91/41/454469141.db2.gz FPWOLDHSJAMBJU-LDADJPATSA-N 0 0 337.379 3.422 50 10 EGCARN COc1ccc(N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000013331784 536678753 /nfs/dbraw/zinc/67/87/53/536678753.db2.gz ZKNFJEMRZMVQEZ-UHFFFAOYSA-N 0 0 338.451 3.367 50 10 EGCARN COc1ccc(OC(F)(F)F)cc1C=C1SC(=S)NC1=O ZINC000669369088 548185359 /nfs/dbraw/zinc/18/53/59/548185359.db2.gz ZUODYQUWKRYXBJ-UITAMQMPSA-N 0 0 335.328 3.083 50 10 EGCARN CN(C)c1ccc(CNC(=O)c2cc(-c3cccs3)n[nH]2)cc1 ZINC000051315992 214088123 /nfs/dbraw/zinc/08/81/23/214088123.db2.gz NAORFXDXNFSYIV-UHFFFAOYSA-N 0 0 326.425 3.134 50 10 EGCARN CN(C)C(=O)c1ccc(/N=N/c2c(N)nn(-c3ccccc3)c2N)cc1 ZINC000055104267 214273723 /nfs/dbraw/zinc/27/37/23/214273723.db2.gz ZNFFGIDWHQEUKC-QURGRASLSA-N 0 0 349.398 3.154 50 10 EGCARN CN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S ZINC000004508950 210208461 /nfs/dbraw/zinc/20/84/61/210208461.db2.gz DFEYVFOEFHVCDZ-UKTHLTGXSA-N 0 0 345.405 3.217 50 10 EGCARN COc1ccc([C@@H]2CC(c3cc(C)cc(C)c3O)=NN2)cc1OC ZINC000004368348 210180845 /nfs/dbraw/zinc/18/08/45/210180845.db2.gz GUHKWSMMQFBTGA-HNNXBMFYSA-N 0 0 326.396 3.465 50 10 EGCARN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1O ZINC000103365678 219294559 /nfs/dbraw/zinc/29/45/59/219294559.db2.gz IPQASVQJNAYICK-OQLLNIDSSA-N 0 0 338.363 3.216 50 10 EGCARN O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccnc1 ZINC000034904110 212995925 /nfs/dbraw/zinc/99/59/25/212995925.db2.gz HINYIERVPNYKAI-ZROIWOOFSA-N 0 0 327.434 3.352 50 10 EGCARN COc1ccc(N2CCN(Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000055031468 132192823 /nfs/dbraw/zinc/19/28/23/132192823.db2.gz UHPKBMWWACCYOL-UHFFFAOYSA-N 0 0 342.439 3.035 50 10 EGCARN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=S ZINC000001318758 276145480 /nfs/dbraw/zinc/14/54/80/276145480.db2.gz VSDCHMHNRORSMN-QBFSEMIESA-N 0 0 338.479 3.286 50 10 EGCARN CC1(C)OC(=O)C(=CSc2ccc(Br)cc2)C(=O)O1 ZINC000001404297 278409217 /nfs/dbraw/zinc/40/92/17/278409217.db2.gz OFXMFAHDGJTBLK-UHFFFAOYSA-N 0 0 343.198 3.261 50 10 EGCARN C[NH+](C)Cc1c([O-])ccc2cc(-c3nc4ccccc4o3)c(=O)oc21 ZINC000000079401 452499934 /nfs/dbraw/zinc/49/99/34/452499934.db2.gz BHWYZGMLEVGFMX-UHFFFAOYSA-N 0 0 336.347 3.368 50 10 EGCARN Cc1ccccc1-c1nnc2n1N=C(c1ccc(O)c(O)c1)CS2 ZINC000000533089 452615840 /nfs/dbraw/zinc/61/58/40/452615840.db2.gz STOFVIDUHNVWMY-UHFFFAOYSA-N 0 0 338.392 3.023 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000002768617 452722530 /nfs/dbraw/zinc/72/25/30/452722530.db2.gz IMVHFLAMFNYBQH-UHFFFAOYSA-N 0 0 336.844 3.373 50 10 EGCARN Cc1cccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 ZINC000004310748 452799741 /nfs/dbraw/zinc/79/97/41/452799741.db2.gz IKGLRHOXUNCUGM-LLMQNPFWSA-N 0 0 338.314 3.176 50 10 EGCARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)CC(=O)N2 ZINC000065363727 454553713 /nfs/dbraw/zinc/55/37/13/454553713.db2.gz KEFCFEWWVNUVKY-AWEZNQCLSA-N 0 0 335.363 3.066 50 10 EGCARN COc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000074927783 454660232 /nfs/dbraw/zinc/66/02/32/454660232.db2.gz JXYNCVABGNOPRW-UHFFFAOYSA-N 0 0 326.396 3.154 50 10 EGCARN CCOC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(OC)cc1 ZINC000100249967 219095596 /nfs/dbraw/zinc/09/55/96/219095596.db2.gz BRTPKPGANQCNFO-LGMDPLHJSA-N 0 0 337.379 3.388 50 10 EGCARN O=C1NN=C(c2ccccc2)C1=CNCc1cccc(C(F)(F)F)c1 ZINC000100407838 219098276 /nfs/dbraw/zinc/09/82/76/219098276.db2.gz QQLVFJOCZYBHSS-RVDMUPIBSA-N 0 0 345.324 3.213 50 10 EGCARN COc1cccc(C2=Nc3ncnn3[C@H](c3ccc(N(C)C)cc3)C2)c1 ZINC000101028197 219114342 /nfs/dbraw/zinc/11/43/42/219114342.db2.gz ZMBCOPYNZMWKKD-IBGZPJMESA-N 0 0 347.422 3.409 50 10 EGCARN CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1Br ZINC000012414054 211373175 /nfs/dbraw/zinc/37/31/75/211373175.db2.gz GPRQVVSDZSXVPY-POHAHGRESA-N 0 0 343.271 3.004 50 10 EGCARN Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccccc1 ZINC000007128630 258052905 /nfs/dbraw/zinc/05/29/05/258052905.db2.gz LLIYHZPWTGTSEP-UHFFFAOYSA-N 0 0 337.448 3.496 50 10 EGCARN CCOc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1 ZINC000071775346 258064032 /nfs/dbraw/zinc/06/40/32/258064032.db2.gz SXGHYCDUJYDGJO-UHFFFAOYSA-N 0 0 336.395 3.165 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1 ZINC000036359209 132391720 /nfs/dbraw/zinc/39/17/20/132391720.db2.gz VKYDQNQLTWMILU-UHFFFAOYSA-N 0 0 349.434 3.149 50 10 EGCARN Cc1cc2c(nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n23)c(C)c1 ZINC000000179545 292013208 /nfs/dbraw/zinc/01/32/08/292013208.db2.gz YQQFNAPGEHWSDN-BOPFTXTBSA-N 0 0 349.459 3.140 50 10 EGCARN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000013667868 135702103 /nfs/dbraw/zinc/70/21/03/135702103.db2.gz ZNQQIBFVDRTQMW-UHFFFAOYSA-N 0 0 330.815 3.107 50 10 EGCARN Cn1cccc1/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O ZINC000013769509 294375223 /nfs/dbraw/zinc/37/52/23/294375223.db2.gz BQJCTQKNKCNBGJ-ZSOIEALJSA-N 0 0 344.417 3.160 50 10 EGCARN 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EGCARN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1F ZINC000054284499 453920559 /nfs/dbraw/zinc/92/05/59/453920559.db2.gz LNGRGCKLJRMXPD-UHFFFAOYSA-N 0 0 348.805 3.246 50 10 EGCARN COc1ccccc1N[C@H]1SC(=S)N(c2ccccc2)C1=O ZINC000004598785 210228813 /nfs/dbraw/zinc/22/88/13/210228813.db2.gz QIUDXBWKAKGLJH-AWEZNQCLSA-N 0 0 330.434 3.498 50 10 EGCARN Cc1cc(C)nc(NN2C(=O)C(=Cc3ccccc3)SC2=S)n1 ZINC000002904050 209938651 /nfs/dbraw/zinc/93/86/51/209938651.db2.gz DKHPZPWRVCNZKY-LCYFTJDESA-N 0 0 342.449 3.322 50 10 EGCARN Nc1c(Cl)cc(Br)c2c1C(=O)c1ccccc1C2=O ZINC000004991544 283651079 /nfs/dbraw/zinc/65/10/79/283651079.db2.gz PINKGGXMEQRISA-UHFFFAOYSA-N 0 0 336.572 3.460 50 10 EGCARN O=C1c2ccccc2C(=O)c2cc(I)ccc21 ZINC000003896787 285022858 /nfs/dbraw/zinc/02/28/58/285022858.db2.gz BMQVXGRNMAVAEK-UHFFFAOYSA-N 0 0 334.112 3.067 50 10 EGCARN CCCCN1c2ccccc2/C(=C2/SC(=S)N(C)C2=O)C1=O ZINC000012946388 275977796 /nfs/dbraw/zinc/97/77/96/275977796.db2.gz KYVWXMHWZAFMAL-SEYXRHQNSA-N 0 0 332.450 3.035 50 10 EGCARN 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ZINC000009008376 211030487 /nfs/dbraw/zinc/03/04/87/211030487.db2.gz OKLWAQPBPBEIIL-OAHLLOKOSA-N 0 0 329.425 3.179 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000007850473 135681385 /nfs/dbraw/zinc/68/13/85/135681385.db2.gz WDZIVACDDWKTEC-UHFFFAOYSA-N 0 0 348.805 3.450 50 10 EGCARN CC(C)OC(=O)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000000216022 275658098 /nfs/dbraw/zinc/65/80/98/275658098.db2.gz HQMXVEISGVMDCV-UHFFFAOYSA-N 0 0 333.343 3.280 50 10 biogenic EGCARN CC[C@@H](C)N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000001164438 280104132 /nfs/dbraw/zinc/10/41/32/280104132.db2.gz AFPCYZAQANJAFL-PEHNMLCRSA-N 0 0 335.450 3.473 50 10 EGCARN O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(N2CCCC2)cc1 ZINC000000387317 452578192 /nfs/dbraw/zinc/57/81/92/452578192.db2.gz VZOWQQPBAKXNTD-UHFFFAOYSA-N 0 0 349.386 3.469 50 10 EGCARN Cn1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c2ccccc21 ZINC000000544583 452620394 /nfs/dbraw/zinc/62/03/94/452620394.db2.gz VDMRKNPVMNMRBV-UHFFFAOYSA-N 0 0 333.343 3.361 50 10 EGCARN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1C1CCCCC1 ZINC000001410467 452662217 /nfs/dbraw/zinc/66/22/17/452662217.db2.gz ORUHWCLHXHJUED-UHFFFAOYSA-N 0 0 343.427 3.044 50 10 EGCARN Cc1c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cnn1C ZINC000002747903 452718608 /nfs/dbraw/zinc/71/86/08/452718608.db2.gz OKVNROMTIQHRMB-XNTDXEJSSA-N 0 0 343.477 3.172 50 10 EGCARN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O ZINC000004687771 452812737 /nfs/dbraw/zinc/81/27/37/452812737.db2.gz ORIZEWLEDYPLOP-HKJJFUAXSA-N 0 0 346.452 3.358 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3cccc(C)n3)CC2(C)C)cc1 ZINC000082166681 453927162 /nfs/dbraw/zinc/92/71/62/453927162.db2.gz JMYHAOVJXTVMOP-UHFFFAOYSA-N 0 0 339.439 3.140 50 10 EGCARN O=C(COc1ccccc1F)NCc1ccc(N2CCCC2)cc1 ZINC000041365505 453963358 /nfs/dbraw/zinc/96/33/58/453963358.db2.gz VKWYIXNIADQGRN-UHFFFAOYSA-N 0 0 328.387 3.121 50 10 EGCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCn1ccnc1 ZINC000604404928 460422389 /nfs/dbraw/zinc/42/23/89/460422389.db2.gz MBUQTGNRHRSPLU-UHFFFAOYSA-N 0 0 341.370 3.110 50 10 biogenic EGCARN CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2CCCO)cc1 ZINC000003904067 210089117 /nfs/dbraw/zinc/08/91/17/210089117.db2.gz ZQHWNFCLCIBXPR-JLHYYAGUSA-N 0 0 349.434 3.015 50 10 biogenic EGCARN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000000112510 209429145 /nfs/dbraw/zinc/42/91/45/209429145.db2.gz MZWNBNPNNBCPBU-POHAHGRESA-N 0 0 326.179 3.296 50 10 EGCARN COC(=O)[C@H](C)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000004391963 284261020 /nfs/dbraw/zinc/26/10/20/284261020.db2.gz XJYSNKHZUSTDPK-IOOWFGSGSA-N 0 0 333.434 3.006 50 10 EGCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCc1cccs1 ZINC000018037424 211977331 /nfs/dbraw/zinc/97/73/31/211977331.db2.gz LAIBYLOOLVVBTK-GDNBJRDFSA-N 0 0 342.380 3.053 50 10 EGCARN CCOc1cc(C=C2SC(Nc3cccnc3)=NC2=O)ccc1O ZINC000010257300 211158358 /nfs/dbraw/zinc/15/83/58/211158358.db2.gz WQVQCZIGOYUABN-OQLLNIDSSA-N 0 0 341.392 3.268 50 10 EGCARN O=C(Nc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000004770150 210274088 /nfs/dbraw/zinc/27/40/88/210274088.db2.gz MSRBGBUFKKUCQV-UHFFFAOYSA-N 0 0 343.338 3.420 50 10 EGCARN COC(=O)C1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O ZINC000064979158 132807249 /nfs/dbraw/zinc/80/72/49/132807249.db2.gz VELNJWUYCOCKDN-UHFFFAOYSA-N 0 0 349.795 3.280 50 10 EGCARN COc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O ZINC000001192376 277869985 /nfs/dbraw/zinc/86/99/85/277869985.db2.gz ABFHLWOYDRMSRZ-POHAHGRESA-N 0 0 344.255 3.289 50 10 EGCARN COC(=O)C1=C(C)NC(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000000296173 452557593 /nfs/dbraw/zinc/55/75/93/452557593.db2.gz IYIBEMCSMVSXOX-ATVHPVEESA-N 0 0 349.386 3.226 50 10 EGCARN Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000000448581 452594149 /nfs/dbraw/zinc/59/41/49/452594149.db2.gz XLBQSUOAZWNYJB-VGOFMYFVSA-N 0 0 331.828 3.093 50 10 EGCARN COC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1 ZINC000000453237 452596904 /nfs/dbraw/zinc/59/69/04/452596904.db2.gz RZEQHPIKEFZQEZ-UHFFFAOYSA-N 0 0 340.331 3.020 50 10 biogenic EGCARN COc1ccc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000000474875 452604618 /nfs/dbraw/zinc/60/46/18/452604618.db2.gz UIFDPGPAALMOQG-UHFFFAOYSA-N 0 0 348.805 3.450 50 10 EGCARN CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O ZINC000000981889 452641161 /nfs/dbraw/zinc/64/11/61/452641161.db2.gz WCGVXAJXGDHCCU-VBKFSLOCSA-N 0 0 346.452 3.278 50 10 EGCARN CCOC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000001238344 452648483 /nfs/dbraw/zinc/64/84/83/452648483.db2.gz NTKKKOKZERQNRI-AWTKBBGNSA-N 0 0 333.434 3.007 50 10 EGCARN COc1ccc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000002628278 452708910 /nfs/dbraw/zinc/70/89/10/452708910.db2.gz NWVFDMKYCLQRSX-UHFFFAOYSA-N 0 0 349.434 3.068 50 10 EGCARN COc1ccc(N2CCN(c3nc4cccnc4s3)CC2)cc1 ZINC000002949220 452736246 /nfs/dbraw/zinc/73/62/46/452736246.db2.gz OYLRGWOFWAFRCG-UHFFFAOYSA-N 0 0 326.425 3.027 50 10 EGCARN CC1=C[C@H](OC(C)(C)C)[C@@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]2C1 ZINC000004568175 452808829 /nfs/dbraw/zinc/80/88/29/452808829.db2.gz KQBFSZVDTUWIAF-DDTOSNHZSA-N 0 0 330.380 3.243 50 10 EGCARN O=C1NC(=Cc2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1 ZINC000004846192 452822518 /nfs/dbraw/zinc/82/25/18/452822518.db2.gz PHFMDOMNZUSADB-NBVRZTHBSA-N 0 0 333.391 3.384 50 10 EGCARN O=c1oc2c(ccc([O-])c2C[NH2+]Cc2ccncc2)c2ccccc12 ZINC000005388817 452866654 /nfs/dbraw/zinc/86/66/54/452866654.db2.gz HOSMIHPLHINGEC-UHFFFAOYSA-N 0 0 332.359 3.337 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 ZINC000008138880 453167260 /nfs/dbraw/zinc/16/72/60/453167260.db2.gz IELILDITOIRPOZ-UHFFFAOYSA-N 0 0 349.434 3.149 50 10 EGCARN COc1ccccc1-n1c(C)cc(C(=O)NCc2ccncc2)c1C ZINC000095478648 454221465 /nfs/dbraw/zinc/22/14/65/454221465.db2.gz OCNISEIKLRSLLP-UHFFFAOYSA-N 0 0 335.407 3.428 50 10 EGCARN CCn1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c2ccccc21 ZINC000004677867 210244465 /nfs/dbraw/zinc/24/44/65/210244465.db2.gz HEPBRJZCQMMLLE-UHFFFAOYSA-N 0 0 325.364 3.415 50 10 EGCARN CCN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S ZINC000004579668 210226529 /nfs/dbraw/zinc/22/65/29/210226529.db2.gz MDYCAIXXSWVPDV-UXBLZVDNSA-N 0 0 344.255 3.376 50 10 EGCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNC1CCCCC1 ZINC000100149065 219092660 /nfs/dbraw/zinc/09/26/60/219092660.db2.gz XHNBYMUJVXRIHK-LFIBNONCSA-N 0 0 328.372 3.124 50 10 EGCARN COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000004491537 210202361 /nfs/dbraw/zinc/20/23/61/210202361.db2.gz XKNIWNIEUYEFJN-LFIBNONCSA-N 0 0 337.335 3.410 50 10 EGCARN C[C@H]1C[NH+](Cc2c([O-])ccc3c4ccccc4c(=O)oc32)C[C@H](C)O1 ZINC000019791828 290860537 /nfs/dbraw/zinc/86/05/37/290860537.db2.gz PDSWZIXYNCJANZ-STQMWFEESA-N 0 0 339.391 3.261 50 10 EGCARN O=S(=O)(NN=c1[nH]c(-c2ccccc2)cs1)c1ccccc1 ZINC000001415065 209743719 /nfs/dbraw/zinc/74/37/19/209743719.db2.gz MUPDWPKHDCLGPJ-UHFFFAOYSA-N 0 0 331.422 3.116 50 10 EGCARN COc1ccccc1N[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O ZINC000012112995 211291828 /nfs/dbraw/zinc/29/18/28/211291828.db2.gz MGHUEOWJPPKEAS-AWEZNQCLSA-N 0 0 332.356 3.472 50 10 EGCARN COc1ccc(N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc1 ZINC000009302718 135686700 /nfs/dbraw/zinc/68/67/00/135686700.db2.gz LGKSUFUBRRLWSG-UHFFFAOYSA-N 0 0 335.407 3.139 50 10 EGCARN CC(C)=CCc1cc2c(=O)c3c(O)ccc(O)c3oc2c(O)c1O ZINC000014763075 275868545 /nfs/dbraw/zinc/86/85/45/275868545.db2.gz FPOOJYQXDQYQKU-UHFFFAOYSA-N 0 0 328.320 3.277 50 10 endogenous EGCARN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Br)cc1 ZINC000000110976 452509869 /nfs/dbraw/zinc/50/98/69/452509869.db2.gz FYDDBTDJAHJJCY-UHFFFAOYSA-N 0 0 337.169 3.203 50 10 EGCARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000000112815 452511161 /nfs/dbraw/zinc/51/11/61/452511161.db2.gz WVNAIIYWMQWBKZ-YBEGLDIGSA-N 0 0 329.396 3.024 50 10 EGCARN COC(=O)c1ccc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1 ZINC000000199923 452533577 /nfs/dbraw/zinc/53/35/77/452533577.db2.gz WTPAABRJSPIZGM-WJDWOHSUSA-N 0 0 336.343 3.463 50 10 EGCARN O=C1N=C(N2CCCCCC2)S/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000000274798 452552485 /nfs/dbraw/zinc/55/24/85/452552485.db2.gz PFEIPBUFIZKDBX-SDNWHVSQSA-N 0 0 331.397 3.441 50 10 EGCARN CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000000535387 452616567 /nfs/dbraw/zinc/61/65/67/452616567.db2.gz JRGSRZHSIOAGDW-UHFFFAOYSA-N 0 0 348.855 3.440 50 10 aggregator EGCARN CC1(C)OC(=O)C(=Cc2ccc(Nc3ccc(F)cc3)o2)C(=O)O1 ZINC000002532410 452704736 /nfs/dbraw/zinc/70/47/36/452704736.db2.gz NMPMDEUGKFEVAR-UHFFFAOYSA-N 0 0 331.299 3.382 50 10 EGCARN CC[C@@H](C)N1C(=O)/C(=C2\c3ccccc3N(CC)C2=O)SC1=S ZINC000002673121 452715190 /nfs/dbraw/zinc/71/51/90/452715190.db2.gz ZGCPBELWXCOKKY-YAWLZAOSSA-N 0 0 346.477 3.423 50 10 EGCARN N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(c3ccco3)=NN21 ZINC000004679508 452813509 /nfs/dbraw/zinc/81/35/09/452813509.db2.gz NLPHCWDLVQLBEN-TWHPYUGFSA-N 0 0 340.339 3.086 50 10 EGCARN Nc1c(Br)cc(Cl)c2c1C(=O)c1ccccc1C2=O ZINC000004712895 452815530 /nfs/dbraw/zinc/81/55/30/452815530.db2.gz YNMAGTCGPDSNDZ-UHFFFAOYSA-N 0 0 336.572 3.460 50 10 EGCARN CN1CCS/C1=C\C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000005320021 452858779 /nfs/dbraw/zinc/85/87/79/452858779.db2.gz FKVQJBHJTZBGNW-GUFPOKFQSA-N 0 0 334.491 3.455 50 10 EGCARN CCCCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000005385473 452865187 /nfs/dbraw/zinc/86/51/87/452865187.db2.gz OHKUOXNMAPQHTG-VBKFSLOCSA-N 0 0 330.388 3.371 50 10 EGCARN CC(=O)NC1(Nc2cccc3ccccc32)C(=O)c2ccccc2C1=O ZINC000012379483 453358722 /nfs/dbraw/zinc/35/87/22/453358722.db2.gz UTYWLLIOLARRSR-UHFFFAOYSA-N 0 0 344.370 3.163 50 10 EGCARN Cc1ccsc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000013130459 453446959 /nfs/dbraw/zinc/44/69/59/453446959.db2.gz PJPVQHJGBFTRDK-BZPKPHBRSA-N 0 0 325.480 3.437 50 10 EGCARN COC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S ZINC000013388695 453461748 /nfs/dbraw/zinc/46/17/48/453461748.db2.gz QNDGMNDUEXDAED-BHHNFLQBSA-N 0 0 333.434 3.007 50 10 EGCARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000100064569 454463161 /nfs/dbraw/zinc/46/31/61/454463161.db2.gz WUZHJIFMODEWKI-HMMYKYKNSA-N 0 0 347.418 3.329 50 10 EGCARN COc1ccc(N[C@H]2SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000004608461 210230160 /nfs/dbraw/zinc/23/01/60/210230160.db2.gz AKRIKHBDVMUIBZ-AWEZNQCLSA-N 0 0 330.434 3.498 50 10 EGCARN CN(C)c1ccc(/C=C2\SC(=N)N(c3nccs3)C2=O)cc1 ZINC000004118917 210125163 /nfs/dbraw/zinc/12/51/63/210125163.db2.gz WNCXQEROKFAAEA-JQZIOSGWSA-N 0 0 330.438 3.265 50 10 EGCARN CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=N)S1 ZINC000003904775 210089174 /nfs/dbraw/zinc/08/91/74/210089174.db2.gz FTADIYNIEAMDJX-KXXGJRMMSA-N 0 0 341.440 3.028 50 10 EGCARN COc1ccc(OC)c(C2=C/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)c1 ZINC000000277097 209516424 /nfs/dbraw/zinc/51/64/24/209516424.db2.gz UIWMXFDGUWNRJD-YFHOEESVSA-N 0 0 343.291 3.186 50 10 EGCARN CC[NH+](CC)Cc1c([O-])ccc(C(=O)Cc2ccccc2OC)c1O ZINC000023135297 212353868 /nfs/dbraw/zinc/35/38/68/212353868.db2.gz OSJUEBYEKNBHIQ-UHFFFAOYSA-N 0 0 343.423 3.374 50 10 EGCARN COc1ccc(-c2coc3c(ccc([O-])c3C[NH+](C)C)c2=O)cc1 ZINC000020411886 212126287 /nfs/dbraw/zinc/12/62/87/212126287.db2.gz ONLJPOVJEBGINZ-UHFFFAOYSA-N 0 0 325.364 3.236 50 10 biogenic EGCARN COc1ccc(N2CCN(C(=O)Cc3ccsc3)CC2(C)C)cc1 ZINC000077516336 216925648 /nfs/dbraw/zinc/92/56/48/216925648.db2.gz UCKFFANUTMMPFW-UHFFFAOYSA-N 0 0 344.480 3.427 50 10 EGCARN COc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)c(OC)c1 ZINC000012417799 211372820 /nfs/dbraw/zinc/37/28/20/211372820.db2.gz BDVVBTCSXHHDPD-MHWRWJLKSA-N 0 0 346.452 3.406 50 10 EGCARN O=C1c2ccccc2C(=O)c2c(N=S3(=O)CCCC3)cccc21 ZINC000066091787 285022670 /nfs/dbraw/zinc/02/26/70/285022670.db2.gz WJBVRGDFNHCVCV-UHFFFAOYSA-N 0 0 325.389 3.355 50 10 EGCARN CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)cc2)SC1=S ZINC000001013923 452640980 /nfs/dbraw/zinc/64/09/80/452640980.db2.gz CBAFQPVCJDQMPM-LCYFTJDESA-N 0 0 345.401 3.330 50 10 EGCARN CCOC(=O)c1nocc1-c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000005473870 452876805 /nfs/dbraw/zinc/87/68/05/452876805.db2.gz FKRDZJPQVXPOQJ-UHFFFAOYSA-N 0 0 347.326 3.294 50 10 EGCARN O=C1N=C(Nc2ccc(O)cc2)SC1=Cc1ccc2c(c1)OCO2 ZINC000005590595 452886208 /nfs/dbraw/zinc/88/62/08/452886208.db2.gz DZYKVLRTMOSPDD-NVNXTCNLSA-N 0 0 340.360 3.203 50 10 EGCARN O=C1NC(=S)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000012634979 453387653 /nfs/dbraw/zinc/38/76/53/453387653.db2.gz AQEZUPQHAAIZRW-GHXNOFRVSA-N 0 0 332.362 3.344 50 10 EGCARN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000013669632 453478038 /nfs/dbraw/zinc/47/80/38/453478038.db2.gz DMKXRAJCXVQZER-UHFFFAOYSA-N 0 0 330.815 3.107 50 10 EGCARN CC1=NN(c2ccccc2)C(=O)/C1=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000015016042 453551971 /nfs/dbraw/zinc/55/19/71/453551971.db2.gz DTUQPQMESIFRFW-FOCLMDBBSA-N 0 0 337.766 3.468 50 10 EGCARN COc1ccccc1/C=C1\SC(=S)N(CN2CCCCC2)C1=O ZINC000108203901 454789651 /nfs/dbraw/zinc/78/96/51/454789651.db2.gz KZPLIZQVFHESMW-PTNGSMBKSA-N 0 0 348.493 3.340 50 10 EGCARN Cc1noc([C@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n1 ZINC000534661392 459344869 /nfs/dbraw/zinc/34/48/69/459344869.db2.gz ACONBTKDTYXMIG-ZDUSSCGKSA-N 0 0 326.444 3.186 50 10 EGCARN O=C1c2ccc3nc(-c4ccncc4)[nH]c3c2C(=O)[C@H]2C=CCC=C12 ZINC000219035461 547242123 /nfs/dbraw/zinc/24/21/23/547242123.db2.gz KSFIWHOAKHULIV-STQMWFEESA-N 0 0 327.343 3.362 50 10 EGCARN