smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002362595 132252873 /nfs/dbraw/zinc/25/28/73/132252873.db2.gz BFJUCSMIRXOCEV-IBGZPJMESA-N 0 1 426.929 4.312 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146729 518988180 /nfs/dbraw/zinc/98/81/80/518988180.db2.gz KTMSJFQUEBKWQO-PMACEKPBSA-N 0 1 432.923 4.038 50 30 IIEAMN CC(C)C[C@@H](C)N1CCN(C(Nc2ccc(C(=O)[O-])cc2)=[NH+]CCc2ccccc2)CC1 ZINC000021046970 519772499 /nfs/dbraw/zinc/77/24/99/519772499.db2.gz LTJSGCVOSBEOTE-OAQYLSRUSA-N 0 1 436.600 4.257 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1C ZINC000022276172 520329433 /nfs/dbraw/zinc/32/94/33/520329433.db2.gz MWRRWFMIYOISEZ-JOCHJYFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)c1 ZINC000013470788 520439325 /nfs/dbraw/zinc/43/93/25/520439325.db2.gz FYOKPNBHIDBMEO-QFIPXVFZSA-N 0 1 429.476 4.044 50 30 IIEAMN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 ZINC000012735703 520804793 /nfs/dbraw/zinc/80/47/93/520804793.db2.gz GSKUEBIAKRGKFQ-UHFFFAOYSA-N 0 1 449.532 4.214 50 30 IIEAMN CN(C)[C@H](CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccncc1)c1cccs1 ZINC000020573469 522069902 /nfs/dbraw/zinc/06/99/02/522069902.db2.gz IIIJOUVCTJMMOQ-WIYYLYMNSA-N 0 1 433.533 4.024 50 30 IIEAMN COc1ccccc1C=C(C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1)c1ccccc1 ZINC000012689226 524312114 /nfs/dbraw/zinc/31/21/14/524312114.db2.gz QDCMJRIHCXJLPX-QDDTUJKSSA-N 0 1 432.501 4.420 50 30 IIEAMN COc1ccccc1C=C(C(=O)OCC(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000012689226 524312122 /nfs/dbraw/zinc/31/21/22/524312122.db2.gz QDCMJRIHCXJLPX-QDDTUJKSSA-N 0 1 432.501 4.420 50 30 IIEAMN COc1ccc([C@@H]2[C@H](C(=O)Nc3n[nH]c(CC(C)C)n3)c3ccccc3C(=O)N2C)cc1 ZINC000095475746 525273327 /nfs/dbraw/zinc/27/33/27/525273327.db2.gz XQJQLCZXTAINID-NHCUHLMSSA-N 0 1 433.512 4.211 50 30 IIEAMN COc1ccc([C@@H]2[C@H](C(=O)Nc3nc(CC(C)C)n[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095475746 525273338 /nfs/dbraw/zinc/27/33/38/525273338.db2.gz XQJQLCZXTAINID-NHCUHLMSSA-N 0 1 433.512 4.211 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009007663 556239930 /nfs/dbraw/zinc/23/99/30/556239930.db2.gz PVWOQLZBQYTQIM-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000009331717 556283023 /nfs/dbraw/zinc/28/30/23/556283023.db2.gz YGAUXFKOTBCUCN-AWQFTUOYSA-N 0 1 449.876 4.077 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 ZINC000009359220 556285514 /nfs/dbraw/zinc/28/55/14/556285514.db2.gz ITLRCGHUALCUIY-HSZRJFAPSA-N 0 1 443.503 4.290 50 30 IIEAMN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032765214 556332560 /nfs/dbraw/zinc/33/25/60/556332560.db2.gz WRUPKMHBDWBHDQ-VWKPWSFCSA-N 0 1 438.528 4.290 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 ZINC000016733177 556632303 /nfs/dbraw/zinc/63/23/03/556632303.db2.gz BZIGDSLGKFUHQL-RBBKRZOGSA-N 0 1 437.467 4.148 50 30 IIEAMN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@H]12 ZINC000409414635 556640205 /nfs/dbraw/zinc/64/02/05/556640205.db2.gz YYNSVIHMXBJYSY-WRDBPHBTSA-N 0 1 439.556 4.031 50 30 IIEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)cc(OC)c1OC ZINC000017017164 556653283 /nfs/dbraw/zinc/65/32/83/556653283.db2.gz KFSKLGINJNBSOS-WSDLNYQXSA-N 0 1 428.514 4.303 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1C ZINC000017161208 556670790 /nfs/dbraw/zinc/67/07/90/556670790.db2.gz REFPODWMXNKSCE-QFIPXVFZSA-N 0 1 432.451 4.316 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 ZINC000020171767 556994917 /nfs/dbraw/zinc/99/49/17/556994917.db2.gz JWNUIHKWTNXCEE-NRFANRHFSA-N 0 1 440.927 4.045 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 ZINC000020171767 556994919 /nfs/dbraw/zinc/99/49/19/556994919.db2.gz JWNUIHKWTNXCEE-NRFANRHFSA-N 0 1 440.927 4.045 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024080647 557135474 /nfs/dbraw/zinc/13/54/74/557135474.db2.gz ADHCSPCOERLYDU-HSZRJFAPSA-N 0 1 436.552 4.232 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024080647 557135479 /nfs/dbraw/zinc/13/54/79/557135479.db2.gz ADHCSPCOERLYDU-HSZRJFAPSA-N 0 1 436.552 4.232 50 30 IIEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000100114429 557240775 /nfs/dbraw/zinc/24/07/75/557240775.db2.gz GVEQZWALRIJMGY-QXMHVHEDSA-N 0 1 442.928 4.356 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102597556 557357408 /nfs/dbraw/zinc/35/74/08/557357408.db2.gz PXDFJVDFKOXMAE-UYTDBDHRSA-N 0 1 441.509 4.334 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102616042 557359307 /nfs/dbraw/zinc/35/93/07/557359307.db2.gz RBYRNYOYUHYJMV-NHFXJNLRSA-N 0 1 445.387 4.129 50 30 IIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102646088 557363822 /nfs/dbraw/zinc/36/38/22/557363822.db2.gz PHMLJZLCDKKITQ-AYWGPLOBSA-N 0 1 444.487 4.029 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102797385 557388721 /nfs/dbraw/zinc/38/87/21/557388721.db2.gz IPCHJEZGCOSAQO-HVESIFNPSA-N 0 1 425.897 4.435 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102801573 557390868 /nfs/dbraw/zinc/39/08/68/557390868.db2.gz KXUCANNYMWJIGG-LFVOPCPISA-N 0 1 438.823 4.463 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 ZINC000104004214 557448770 /nfs/dbraw/zinc/44/87/70/557448770.db2.gz RNWYSBXRUAHDAY-FIMCBBJJSA-N 0 1 435.520 4.202 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000104144572 557451940 /nfs/dbraw/zinc/45/19/40/557451940.db2.gz WNEQPWKSQDJDRG-HOGKFDNTSA-N 0 1 444.443 4.225 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000006407762 562946723 /nfs/dbraw/zinc/94/67/23/562946723.db2.gz CTBRCXNQCGEARW-SFHVURJKSA-N 0 1 437.477 4.096 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000001464665 568820053 /nfs/dbraw/zinc/82/00/53/568820053.db2.gz MYUDHYRLTJGRIV-KRWDZBQOSA-N 0 1 441.896 4.291 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1OC ZINC000006279749 568881628 /nfs/dbraw/zinc/88/16/28/568881628.db2.gz OHQVHZWNVHOHMQ-GOSISDBHSA-N 0 1 440.452 4.082 50 30 IIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000006282964 568881893 /nfs/dbraw/zinc/88/18/93/568881893.db2.gz HKBLIKXAMONNNE-JOCHJYFZSA-N 0 1 449.459 4.084 50 30 IIEAMN COc1cc(OC)c(OC)cc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000239128774 568910642 /nfs/dbraw/zinc/91/06/42/568910642.db2.gz KTQQZIDFOMMUNZ-UHFFFAOYSA-N 0 1 443.547 4.434 50 30 IIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020232383 569357153 /nfs/dbraw/zinc/35/71/53/569357153.db2.gz YMAIXPKUOCHOPA-OAQYLSRUSA-N 0 1 442.943 4.269 50 30 IIEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/C=C/c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000004130680 569460309 /nfs/dbraw/zinc/46/03/09/569460309.db2.gz FHNOUUKJYYBMRX-WABGWXMBSA-N 0 1 437.481 4.218 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)o1 ZINC000008827558 569477750 /nfs/dbraw/zinc/47/77/50/569477750.db2.gz KVXUXRIHTZLHQJ-QGZVFWFLSA-N 0 1 443.253 4.430 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008920227 569486497 /nfs/dbraw/zinc/48/64/97/569486497.db2.gz CJXKPDKXVFPYDA-NXLSWJSLSA-N 0 1 448.563 4.358 50 30 IIEAMN C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000009042069 569497687 /nfs/dbraw/zinc/49/76/87/569497687.db2.gz IWKUSQABNCKMAZ-LBPRGKRZSA-N 0 1 444.438 4.447 50 30 IIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Br)cc1 ZINC000009122714 569504200 /nfs/dbraw/zinc/50/42/00/569504200.db2.gz STGPBURKCWJWHD-PBHICJAKSA-N 0 1 448.338 4.268 50 30 IIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009186620 569510228 /nfs/dbraw/zinc/51/02/28/569510228.db2.gz DTAJRBTWTHEOAA-MRJHHRETSA-N 0 1 442.943 4.112 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1 ZINC000009244216 569515041 /nfs/dbraw/zinc/51/50/41/569515041.db2.gz DJXMLLCVYPXUHY-QFIPXVFZSA-N 0 1 439.508 4.186 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccnc3)ccc2O1 ZINC000009312523 569521877 /nfs/dbraw/zinc/52/18/77/569521877.db2.gz GBCISDBAPNFHID-HJPURHCSSA-N 0 1 426.472 4.184 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009411366 569531558 /nfs/dbraw/zinc/53/15/58/569531558.db2.gz NEARUSQJPCYZHK-LJQANCHMSA-N 0 1 440.477 4.235 50 30 IIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009412656 569531644 /nfs/dbraw/zinc/53/16/44/569531644.db2.gz HLUNKLHGKLCBHN-MZNJEOGPSA-N 0 1 448.563 4.273 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000009437321 569534963 /nfs/dbraw/zinc/53/49/63/569534963.db2.gz WYYQPFOXTWBFNI-NRFANRHFSA-N 0 1 434.423 4.470 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccs1 ZINC000009453533 569536581 /nfs/dbraw/zinc/53/65/81/569536581.db2.gz QWTGSPXRODIELI-NRFANRHFSA-N 0 1 433.485 4.298 50 30 IIEAMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c1C#N ZINC000009537409 569545617 /nfs/dbraw/zinc/54/56/17/569545617.db2.gz XLSTXALVEBXOSB-UHFFFAOYSA-N 0 1 432.509 4.134 50 30 IIEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000013517472 518838652 /nfs/dbraw/zinc/83/86/52/518838652.db2.gz WQBCGLLBVNVCMG-STZFKDTASA-N 0 1 442.471 4.075 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146566 518993651 /nfs/dbraw/zinc/99/36/51/518993651.db2.gz DDYDPIWQLVBIQF-YADHBBJMSA-N 0 1 432.923 4.038 50 30 IIEAMN C=CCn1c(SC[C@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)nnc1C1CCCCC1 ZINC000057647593 519237315 /nfs/dbraw/zinc/23/73/15/519237315.db2.gz LIENJNVDJPQXPW-IRLDBZIGSA-N 0 1 427.618 4.357 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 ZINC000009282460 520861982 /nfs/dbraw/zinc/86/19/82/520861982.db2.gz SDTHBBJHMAFCGY-QHCPKHFHSA-N 0 1 443.503 4.434 50 30 IIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccc(OC)cc2)C1=O ZINC000013598439 520895686 /nfs/dbraw/zinc/89/56/86/520895686.db2.gz OUSRUVHNFBYOMD-HVAUEGPVSA-N 0 1 441.553 4.347 50 30 IIEAMN COc1cc(/C=N/N=C2\NC(=O)C(Cc3ccccc3)S2)ccc1OCc1ccccc1 ZINC000012197086 521986980 /nfs/dbraw/zinc/98/69/80/521986980.db2.gz HEEWFPYBZZIYFD-VUEBRRCKSA-N 0 1 445.544 4.438 50 30 IIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000016945877 524892353 /nfs/dbraw/zinc/89/23/53/524892353.db2.gz BRTVXPMSHMUDHY-JOCHJYFZSA-N 0 1 433.460 4.384 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009362782 525223002 /nfs/dbraw/zinc/22/30/02/525223002.db2.gz MTMMHWMQNKHJPT-JOCHJYFZSA-N 0 1 444.443 4.382 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000000702759 555543659 /nfs/dbraw/zinc/54/36/59/555543659.db2.gz TUJOARYVVRFCBJ-CTNGQTDRSA-N 0 1 441.911 4.496 50 30 IIEAMN COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000001181840 555672220 /nfs/dbraw/zinc/67/22/20/555672220.db2.gz OIINNTJTTNUORI-UHFFFAOYSA-N 0 1 440.496 4.282 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000006238826 556081619 /nfs/dbraw/zinc/08/16/19/556081619.db2.gz JKAYQOCXNISFHJ-GOSISDBHSA-N 0 1 430.298 4.064 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000008740877 556206525 /nfs/dbraw/zinc/20/65/25/556206525.db2.gz BTWFHVFPVWUYSE-HNNXBMFYSA-N 0 1 442.294 4.084 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000009662077 556304553 /nfs/dbraw/zinc/30/45/53/556304553.db2.gz VWLXWRDIXRVKAR-IBGZPJMESA-N 0 1 441.867 4.320 50 30 IIEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013785609 556308869 /nfs/dbraw/zinc/30/88/69/556308869.db2.gz BRMWQJFCEFENML-LVCYWYKZSA-N 0 1 443.551 4.044 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000016741951 556635762 /nfs/dbraw/zinc/63/57/62/556635762.db2.gz RQPVQXYZUXYEBB-JOCHJYFZSA-N 0 1 449.459 4.084 50 30 IIEAMN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@@H]3C[C@H]12 ZINC000409414633 556640119 /nfs/dbraw/zinc/64/01/19/556640119.db2.gz YYNSVIHMXBJYSY-KWVKCVPZSA-N 0 1 439.556 4.031 50 30 IIEAMN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@H]12 ZINC000409414629 556640144 /nfs/dbraw/zinc/64/01/44/556640144.db2.gz YYNSVIHMXBJYSY-COWNTTACSA-N 0 1 439.556 4.031 50 30 IIEAMN CCOC(=O)C(N=Nc1ccc(SC(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252621073 556692912 /nfs/dbraw/zinc/69/29/12/556692912.db2.gz MSHLUVQDBJLWGX-UHFFFAOYSA-N 0 1 441.387 4.421 50 30 IIEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3ccncc3)oc21 ZINC000013728242 556720605 /nfs/dbraw/zinc/72/06/05/556720605.db2.gz QHFKRDHMNLVPMW-NRFANRHFSA-N 0 1 441.443 4.010 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008837837 557124082 /nfs/dbraw/zinc/12/40/82/557124082.db2.gz WSCRJBWIGYJKLQ-PKOBYXMFSA-N 0 1 442.855 4.006 50 30 IIEAMN COc1ccc(/C(C)=N/N=C2\NC(=O)C(Cc3ccc(Br)cc3)S2)cc1 ZINC000011565535 557201579 /nfs/dbraw/zinc/20/15/79/557201579.db2.gz VZKPCRZFHFKWIM-QQZPLFJDSA-N 0 1 432.343 4.012 50 30 IIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Br)cc1 ZINC000101069980 557223661 /nfs/dbraw/zinc/22/36/61/557223661.db2.gz LXWSVPRYNODBAU-ILCKISKLSA-N 0 1 448.338 4.111 50 30 IIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000102520433 557352431 /nfs/dbraw/zinc/35/24/31/557352431.db2.gz PEHNMEDRPBUEOI-JBCNATCCSA-N 0 1 434.879 4.366 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(SC)cc2)s1 ZINC000102582307 557355439 /nfs/dbraw/zinc/35/54/39/557355439.db2.gz WSBANJVIZRUDSD-SXWSKBOKSA-N 0 1 445.547 4.201 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)s1 ZINC000102656135 557361643 /nfs/dbraw/zinc/36/16/43/557361643.db2.gz YASYMYDOHDHLKU-DPEHCCBOSA-N 0 1 427.482 4.025 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccncc3)ccc2O1 ZINC000102770764 557381763 /nfs/dbraw/zinc/38/17/63/557381763.db2.gz DXTHZNUCQLEOKV-IYGWJSLMSA-N 0 1 440.499 4.069 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804175 557386473 /nfs/dbraw/zinc/38/64/73/557386473.db2.gz AJXDRFLUFAPINL-NHFXJNLRSA-N 0 1 445.387 4.264 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000102861509 557402204 /nfs/dbraw/zinc/40/22/04/557402204.db2.gz QFTPHPPIDOEECW-HVESIFNPSA-N 0 1 425.897 4.435 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1cccs1 ZINC000102868744 557404665 /nfs/dbraw/zinc/40/46/65/557404665.db2.gz IZRDHMCUVYXHNO-MRJHHRETSA-N 0 1 433.485 4.141 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102894150 557406055 /nfs/dbraw/zinc/40/60/55/557406055.db2.gz GXYUROXPNPKXHU-LFVOPCPISA-N 0 1 440.477 4.078 50 30 IIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000102925143 557409691 /nfs/dbraw/zinc/40/96/91/557409691.db2.gz BCNYPRIMYOCPTN-GROYHEBESA-N 0 1 442.880 4.137 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2OC)c(C)c1 ZINC000103886352 557442657 /nfs/dbraw/zinc/44/26/57/557442657.db2.gz MIZSLDAFENBFBP-AYWGPLOBSA-N 0 1 444.487 4.029 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000006499266 562946930 /nfs/dbraw/zinc/94/69/30/562946930.db2.gz MSWFSMGEZVGEBQ-QFIPXVFZSA-N 0 1 449.459 4.084 50 30 IIEAMN CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CCN(Cc3ccc(CC)o3)CC2)C1=O ZINC000014878759 568827459 /nfs/dbraw/zinc/82/74/59/568827459.db2.gz MUEBVYSISSCRKH-HHHXNRCGSA-N 0 1 447.579 4.001 50 30 IIEAMN COCC[NH+](CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(C)C)cc1)O2 ZINC000002432539 569303550 /nfs/dbraw/zinc/30/35/50/569303550.db2.gz QIKRRAPBQAFWIL-HAHDFKILSA-N 0 1 425.525 4.227 50 30 IIEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Cl)c2)cc1C ZINC000020310088 569359965 /nfs/dbraw/zinc/35/99/65/569359965.db2.gz NKCNKEQLKCLQFB-NRFANRHFSA-N 0 1 442.943 4.192 50 30 IIEAMN O=C(Nc1ccc2c(c1)CCC2)N1CC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096310035 569392625 /nfs/dbraw/zinc/39/26/25/569392625.db2.gz TURRDHKZTDKVEG-RUZDIDTESA-N 0 1 430.556 4.425 50 30 biogenic IIEAMN O=C(NCc1ccc(F)cc1)N1CC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309990 569392676 /nfs/dbraw/zinc/39/26/76/569392676.db2.gz SLOCPPVDBCLPPR-VWLOTQADSA-N 0 1 444.514 4.011 50 30 biogenic IIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000002501876 569406029 /nfs/dbraw/zinc/40/60/29/569406029.db2.gz KXYZPHIMEKLQOU-NRFANRHFSA-N 0 1 432.501 4.486 50 30 IIEAMN CCCO[C@]1(NS(=O)(=O)c2ccccc2)c2ccccc2C(=O)C(Cl)=C1Cl ZINC000008765691 569474799 /nfs/dbraw/zinc/47/47/99/569474799.db2.gz UFUHSNAGRHCRTA-LJQANCHMSA-N 0 1 426.321 4.130 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)o1 ZINC000008827559 569477702 /nfs/dbraw/zinc/47/77/02/569477702.db2.gz KVXUXRIHTZLHQJ-KRWDZBQOSA-N 0 1 443.253 4.430 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009076485 569500293 /nfs/dbraw/zinc/50/02/93/569500293.db2.gz IQHKJEBSCMDGCK-OAQYLSRUSA-N 0 1 448.431 4.365 50 30 IIEAMN C=CCN1c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc2OCC(C)(C)C1=O ZINC000009167024 569508981 /nfs/dbraw/zinc/50/89/81/569508981.db2.gz ZAXLRIADFIQKGX-UHFFFAOYSA-N 0 1 444.553 4.050 50 30 IIEAMN C=CCN1c2cc(NS(=O)(=O)c3cc(C)ccc3OCC)ccc2OCC(C)(C)C1=O ZINC000009171368 569509357 /nfs/dbraw/zinc/50/93/57/569509357.db2.gz HPCYVKMHOKLJSX-UHFFFAOYSA-N 0 1 444.553 4.132 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000009272774 569517984 /nfs/dbraw/zinc/51/79/84/569517984.db2.gz DKBSWNPLUYILGL-UYAOXDASSA-N 0 1 427.884 4.106 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009272829 569518041 /nfs/dbraw/zinc/51/80/41/569518041.db2.gz BFLRNQUESCXFIC-MJGOQNOKSA-N 0 1 442.855 4.006 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009272773 569518061 /nfs/dbraw/zinc/51/80/61/569518061.db2.gz DKBSWNPLUYILGL-ICSRJNTNSA-N 0 1 427.884 4.106 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccncc3)ccc2O1 ZINC000009312730 569521905 /nfs/dbraw/zinc/52/19/05/569521905.db2.gz CZTOUKJMMVXJQF-HJPURHCSSA-N 0 1 426.472 4.184 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccs1 ZINC000009380386 569527944 /nfs/dbraw/zinc/52/79/44/569527944.db2.gz UEBZMSAFWCQOHS-FQEVSTJZSA-N 0 1 429.538 4.316 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1 ZINC000009424797 569533153 /nfs/dbraw/zinc/53/31/53/569533153.db2.gz LHELJTPCZSRQPZ-DEOSSOPVSA-N 0 1 441.483 4.279 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)s1 ZINC000009510424 569542760 /nfs/dbraw/zinc/54/27/60/569542760.db2.gz VOTIRMDOGKNBQM-OAHLLOKOSA-N 0 1 427.482 4.182 50 30 IIEAMN C=CCC[C@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340745 518728730 /nfs/dbraw/zinc/72/87/30/518728730.db2.gz WKOULXSYSNQNEL-NRFANRHFSA-N 0 1 429.008 4.041 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146699 518987875 /nfs/dbraw/zinc/98/78/75/518987875.db2.gz ZBDMGJOULGVIKU-VXKWHMMOSA-N 0 1 432.923 4.038 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)cc1C ZINC000022275948 520328129 /nfs/dbraw/zinc/32/81/29/520328129.db2.gz NOZKXSAZNLUZQI-QFIPXVFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366941 520896174 /nfs/dbraw/zinc/89/61/74/520896174.db2.gz WQJSKPSPXDJVHT-JIIKEMMSSA-N 0 1 426.498 4.238 50 30 IIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000038187408 524034082 /nfs/dbraw/zinc/03/40/82/524034082.db2.gz JZYDIGFMOMRZRH-FBJLLXQBSA-N 0 1 447.531 4.330 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccs3)ccc2O1 ZINC000000703159 555543665 /nfs/dbraw/zinc/54/36/65/555543665.db2.gz BCKMJNNFKZTVJX-SZNDQCEHSA-N 0 1 432.501 4.245 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000008926691 556234387 /nfs/dbraw/zinc/23/43/87/556234387.db2.gz DPJRTLNYKUIDCZ-JOCHJYFZSA-N 0 1 439.508 4.017 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)cc1 ZINC000009041238 556241967 /nfs/dbraw/zinc/24/19/67/556241967.db2.gz RUGDCVVQSMXNOP-HXUWFJFHSA-N 0 1 429.900 4.272 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009046404 556242749 /nfs/dbraw/zinc/24/27/49/556242749.db2.gz FIEFWWDEICTJSX-SFHVURJKSA-N 0 1 439.468 4.167 50 30 IIEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009109322 556247460 /nfs/dbraw/zinc/24/74/60/556247460.db2.gz LKELBCVRTDGNPJ-KRWDZBQOSA-N 0 1 443.253 4.122 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3F)ccc2O1 ZINC000009243269 556266679 /nfs/dbraw/zinc/26/66/79/556266679.db2.gz YDSQAXXPYYMIQC-BUXKBTBVSA-N 0 1 436.464 4.389 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000009243266 556266715 /nfs/dbraw/zinc/26/67/15/556266715.db2.gz YDSQAXXPYYMIQC-CWTRNNRKSA-N 0 1 436.464 4.389 50 30 IIEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)ccc1O ZINC000009763878 556308490 /nfs/dbraw/zinc/30/84/90/556308490.db2.gz HXWZUXUXGWBLBQ-FQEVSTJZSA-N 0 1 436.851 4.232 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000016742382 556636350 /nfs/dbraw/zinc/63/63/50/556636350.db2.gz VJCJNVSCUYNZCS-QHCPKHFHSA-N 0 1 432.520 4.390 50 30 IIEAMN N#CC(c1nc(-c2ccc(Br)cc2)cs1)=C1NS(=O)(=O)c2ccccc21 ZINC000033853726 556642858 /nfs/dbraw/zinc/64/28/58/556642858.db2.gz KZAXRKVOZCFFGH-AWEZNQCLSA-N 0 1 444.335 4.371 50 30 IIEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(I)c1OC ZINC000017103035 556667009 /nfs/dbraw/zinc/66/70/09/556667009.db2.gz POFIHTLMZPFMIO-GIJQJNRQSA-N 0 1 439.278 4.364 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000019885546 556938565 /nfs/dbraw/zinc/93/85/65/556938565.db2.gz NCIIIJQQKGLWHB-LJQANCHMSA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000019885546 556938568 /nfs/dbraw/zinc/93/85/68/556938568.db2.gz NCIIIJQQKGLWHB-LJQANCHMSA-N 0 1 449.334 4.142 50 30 IIEAMN COc1cc(OC)c(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1 ZINC000020101126 556980249 /nfs/dbraw/zinc/98/02/49/556980249.db2.gz UGJGOBPMAKVXOI-MTDXEUNCSA-N 0 1 443.547 4.434 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020171768 556994877 /nfs/dbraw/zinc/99/48/77/556994877.db2.gz JWNUIHKWTNXCEE-OAQYLSRUSA-N 0 1 440.927 4.045 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020171768 556994879 /nfs/dbraw/zinc/99/48/79/556994879.db2.gz JWNUIHKWTNXCEE-OAQYLSRUSA-N 0 1 440.927 4.045 50 30 IIEAMN Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000020193007 556996865 /nfs/dbraw/zinc/99/68/65/556996865.db2.gz ZSIRVZCTJKWAMV-HXUWFJFHSA-N 0 1 447.560 4.258 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008905036 557126419 /nfs/dbraw/zinc/12/64/19/557126419.db2.gz BRPRMOSTARAHRK-UYAOXDASSA-N 0 1 427.884 4.106 50 30 IIEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000000796042 557204931 /nfs/dbraw/zinc/20/49/31/557204931.db2.gz NLNNUNLSZWZAKH-IBGZPJMESA-N 0 1 448.456 4.386 50 30 IIEAMN CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100003706 557236957 /nfs/dbraw/zinc/23/69/57/557236957.db2.gz TWUHEIIWRXSORR-LJQANCHMSA-N 0 1 429.469 4.160 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Br)c2)no1 ZINC000101100260 557255369 /nfs/dbraw/zinc/25/53/69/557255369.db2.gz DYDFVYQDESNHMH-IBOXJLQUSA-N 0 1 445.294 4.433 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccccc2F)cc1 ZINC000101288036 557268149 /nfs/dbraw/zinc/26/81/49/557268149.db2.gz PILJPTYWYSDKLE-WOOAAIBNSA-N 0 1 436.464 4.473 50 30 IIEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1 ZINC000102596555 557357482 /nfs/dbraw/zinc/35/74/82/557357482.db2.gz UBRRAIPZGQASDO-LFVOPCPISA-N 0 1 438.823 4.463 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1 ZINC000102550588 557358602 /nfs/dbraw/zinc/35/86/02/557358602.db2.gz ZRPDKZKFJPKDFM-MOBKVPTQSA-N 0 1 447.512 4.184 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102804419 557386459 /nfs/dbraw/zinc/38/64/59/557386459.db2.gz JQQHJYDIPRKXTM-NHFXJNLRSA-N 0 1 445.387 4.264 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000102799451 557389840 /nfs/dbraw/zinc/38/98/40/557389840.db2.gz VMIBLMZAMAXTJF-SELCWUDQSA-N 0 1 439.468 4.011 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102801236 557390604 /nfs/dbraw/zinc/39/06/04/557390604.db2.gz HIRPYIFEBJWQMK-WOOAAIBNSA-N 0 1 438.823 4.463 50 30 IIEAMN COc1ccc(NC2=C[C@](C)(O)[C@@H](C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2C(C)=O)cc1 ZINC000013132637 562985027 /nfs/dbraw/zinc/98/50/27/562985027.db2.gz RFOIDJZODOFUNK-GSDHBNRESA-N 0 1 436.552 4.160 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985268 568623448 /nfs/dbraw/zinc/62/34/48/568623448.db2.gz ZBDMGJOULGVIKU-FCHUYYIVSA-N 0 1 432.923 4.038 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(F)c2)cc1 ZINC000016730598 568792282 /nfs/dbraw/zinc/79/22/82/568792282.db2.gz VQAWSOUEHFPUON-OAQYLSRUSA-N 0 1 425.456 4.005 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985239 568838771 /nfs/dbraw/zinc/83/87/71/568838771.db2.gz IJKRKHYEFVUPIY-VQTJNVASSA-N 0 1 432.923 4.038 50 30 IIEAMN COc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1OC ZINC000239046978 568910531 /nfs/dbraw/zinc/91/05/31/568910531.db2.gz GAUJCOLPOQBZTH-UHFFFAOYSA-N 0 1 443.547 4.434 50 30 IIEAMN N#Cc1c(NC(=O)CCN2CCN(c3ccc(F)cc3)CC2)sc2c1CCCCC2 ZINC000007600498 569188594 /nfs/dbraw/zinc/18/85/94/569188594.db2.gz LTEIJZWZCYSKRV-UHFFFAOYSA-N 0 1 426.561 4.179 50 30 IIEAMN O=[N+]([O-])c1ccc(N=Cc2cc(Br)cc(I)c2O)cc1 ZINC000252620466 569199311 /nfs/dbraw/zinc/19/93/11/569199311.db2.gz MEPGFXSCMACINL-UHFFFAOYSA-N 0 1 447.026 4.418 50 30 IIEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845431 569478813 /nfs/dbraw/zinc/47/88/13/569478813.db2.gz DZKIRABXOOFVAA-RUZDIDTESA-N 0 1 438.487 4.488 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008996957 569495888 /nfs/dbraw/zinc/49/58/88/569495888.db2.gz GGBDHFULBOIHEO-FQEVSTJZSA-N 0 1 449.419 4.073 50 30 IIEAMN C=CCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000009124169 569504264 /nfs/dbraw/zinc/50/42/64/569504264.db2.gz PICXYUVLISRQBD-OAQYLSRUSA-N 0 1 425.872 4.190 50 30 IIEAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000009226301 569513243 /nfs/dbraw/zinc/51/32/43/569513243.db2.gz FVCTZPIRURDWCD-UHFFFAOYSA-N 0 1 434.308 4.390 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Cl)c1 ZINC000009313108 569521930 /nfs/dbraw/zinc/52/19/30/569521930.db2.gz VEIUVTUDKWHEIA-QKKBWIMNSA-N 0 1 441.911 4.278 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009374741 569527223 /nfs/dbraw/zinc/52/72/23/569527223.db2.gz BJRIOQOUSUEXAG-MWTRTKDXSA-N 0 1 435.520 4.358 50 30 biogenic IIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O ZINC000009380301 569527929 /nfs/dbraw/zinc/52/79/29/569527929.db2.gz YECGFZALQKUVGV-VAVHGKRESA-N 0 1 429.517 4.477 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000078547241 520873913 /nfs/dbraw/zinc/87/39/13/520873913.db2.gz WXXSVOJCMYDBIX-JOCHJYFZSA-N 0 1 439.508 4.184 50 30 IIEAMN COc1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)cc(OC)c1OC ZINC000020624312 521966160 /nfs/dbraw/zinc/96/61/60/521966160.db2.gz UAOOACARZZJCKB-PFHZTYADSA-N 0 1 439.508 4.409 50 30 biogenic IIEAMN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2C[N@H+]2CCCC[C@@H]2C)C1=O ZINC000020611040 522817330 /nfs/dbraw/zinc/81/73/30/522817330.db2.gz RMZDVXXBJPMCSY-WQKDKYNYSA-N 0 1 439.508 4.409 50 30 biogenic IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000009013644 526228188 /nfs/dbraw/zinc/22/81/88/526228188.db2.gz JTCOEEUNYYRNNW-INIZCTEOSA-N 0 1 441.509 4.490 50 30 IIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102875023 526954394 /nfs/dbraw/zinc/95/43/94/526954394.db2.gz FEHYXQXNKJCZIQ-MOBKVPTQSA-N 0 1 428.444 4.259 50 30 IIEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2cccc(OC)c2)c1 ZINC000000702427 555543378 /nfs/dbraw/zinc/54/33/78/555543378.db2.gz YCOFZYIAUVQUFX-HSZRJFAPSA-N 0 1 444.487 4.267 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001118532 555635879 /nfs/dbraw/zinc/63/58/79/555635879.db2.gz QWMDKCDBIFSBFN-OAQYLSRUSA-N 0 1 448.431 4.365 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000008740878 556206604 /nfs/dbraw/zinc/20/66/04/556206604.db2.gz BTWFHVFPVWUYSE-OAHLLOKOSA-N 0 1 442.294 4.084 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008741477 556207056 /nfs/dbraw/zinc/20/70/56/556207056.db2.gz NTBXLSZNHZFKRX-HXUWFJFHSA-N 0 1 449.850 4.422 50 30 IIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)ccc1OCC(C)C ZINC000009046443 556242845 /nfs/dbraw/zinc/24/28/45/556242845.db2.gz CPCFBYHIHBCTLN-HSZRJFAPSA-N 0 1 436.552 4.170 50 30 IIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)ccc1OCC(C)C ZINC000009046443 556242848 /nfs/dbraw/zinc/24/28/48/556242848.db2.gz CPCFBYHIHBCTLN-HSZRJFAPSA-N 0 1 436.552 4.170 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009311862 556280446 /nfs/dbraw/zinc/28/04/46/556280446.db2.gz VWHGEWTZRIWNMX-UPCLLVRISA-N 0 1 441.483 4.494 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Br)c1 ZINC000009375296 556286680 /nfs/dbraw/zinc/28/66/80/556286680.db2.gz FECRVGQGAATOQG-LJQANCHMSA-N 0 1 444.325 4.372 50 30 IIEAMN N#CC(c1nc2ccccc2nc1NCCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000032828682 556413261 /nfs/dbraw/zinc/41/32/61/556413261.db2.gz NCCOTKXPUDQJSH-JOCHJYFZSA-N 0 1 446.507 4.462 50 30 IIEAMN Cc1cc(Br)ccc1OCC(=O)ONC(=N)Cc1cccc2ccccc21 ZINC000016193350 556589340 /nfs/dbraw/zinc/58/93/40/556589340.db2.gz HHVLFJXVZIFRSZ-UHFFFAOYSA-N 0 1 427.298 4.348 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016732407 556631707 /nfs/dbraw/zinc/63/17/07/556631707.db2.gz WPOPLVJMHBZLRU-RBBKRZOGSA-N 0 1 437.467 4.148 50 30 IIEAMN N#CC(c1nc(-c2ccc(Br)cc2)cs1)=C1NS(=O)(=O)c2ccccc21 ZINC000033853724 556642907 /nfs/dbraw/zinc/64/29/07/556642907.db2.gz KZAXRKVOZCFFGH-CQSZACIVSA-N 0 1 444.335 4.371 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000013722989 556717310 /nfs/dbraw/zinc/71/73/10/556717310.db2.gz QSAGYMYQSZDDMU-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2nnc(C)s2)[C@@H]1c1ccccc1 ZINC000013723762 556718991 /nfs/dbraw/zinc/71/89/91/556718991.db2.gz VKNHJUSFTAYGKK-QGZVFWFLSA-N 0 1 441.896 4.291 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008905033 557126496 /nfs/dbraw/zinc/12/64/96/557126496.db2.gz BRPRMOSTARAHRK-QUCCMNQESA-N 0 1 427.884 4.106 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000026458996 557241646 /nfs/dbraw/zinc/24/16/46/557241646.db2.gz YPVPJNBPIKIVHB-OAQYLSRUSA-N 0 1 437.423 4.214 50 30 IIEAMN COc1ccc(C)cc1N=Nc1c(N)[nH]n(-c2c(Cl)cc(Cl)cc2Cl)c1=O ZINC000102846101 557309326 /nfs/dbraw/zinc/30/93/26/557309326.db2.gz VTRXEFZDIBFVGG-OEAKJJBVSA-N 0 1 426.691 4.051 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)s1 ZINC000102369068 557318688 /nfs/dbraw/zinc/31/86/88/557318688.db2.gz GRRMPWRNJGLDNI-WOOAAIBNSA-N 0 1 435.505 4.260 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102536562 557345728 /nfs/dbraw/zinc/34/57/28/557345728.db2.gz YICCKLGKGKFXAU-JBCNATCCSA-N 0 1 442.943 4.112 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(SC)cc2)s1 ZINC000102582316 557355450 /nfs/dbraw/zinc/35/54/50/557355450.db2.gz WSBANJVIZRUDSD-MRPLLJTBSA-N 0 1 445.547 4.201 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102648823 557361384 /nfs/dbraw/zinc/36/13/84/557361384.db2.gz GOQSEFGMJBWLTD-SRUWONCDSA-N 0 1 435.520 4.419 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccs1 ZINC000102704887 557366177 /nfs/dbraw/zinc/36/61/77/557366177.db2.gz XARVQHSLPNAWKZ-YDJIHCHBSA-N 0 1 429.538 4.159 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102708850 557367551 /nfs/dbraw/zinc/36/75/51/557367551.db2.gz GSUYKDKUADUWJA-WOOAAIBNSA-N 0 1 435.867 4.155 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102771220 557381578 /nfs/dbraw/zinc/38/15/78/557381578.db2.gz RQUDILXSBYUZPA-GOBYDPEUSA-N 0 1 440.499 4.069 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102771219 557381675 /nfs/dbraw/zinc/38/16/75/557381675.db2.gz RQUDILXSBYUZPA-IYGWJSLMSA-N 0 1 440.499 4.069 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2F)cc1 ZINC000102799448 557389713 /nfs/dbraw/zinc/38/97/13/557389713.db2.gz VMIBLMZAMAXTJF-GHNGSUTGSA-N 0 1 439.468 4.011 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C ZINC000102863319 557403545 /nfs/dbraw/zinc/40/35/45/557403545.db2.gz CURLXSAHDHKGQA-ZHHPLPSFSA-N 0 1 436.552 4.157 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C ZINC000102863319 557403548 /nfs/dbraw/zinc/40/35/48/557403548.db2.gz CURLXSAHDHKGQA-ZHHPLPSFSA-N 0 1 436.552 4.157 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000100455434 557403917 /nfs/dbraw/zinc/40/39/17/557403917.db2.gz QRSMBLRLHMZWQA-ZHHPLPSFSA-N 0 1 444.487 4.029 50 30 IIEAMN CC(C)(C)NC1=Nc2ncccc2N[C@]12CCCN(C(=O)c1cc(-c3cccs3)n[nH]1)C2 ZINC000096309862 557776858 /nfs/dbraw/zinc/77/68/58/557776858.db2.gz UKDZUEVVBSXRFJ-QHCPKHFHSA-N 0 1 449.584 4.243 50 30 biogenic IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(SC)cc2)s1 ZINC000008969363 562966306 /nfs/dbraw/zinc/96/63/06/562966306.db2.gz ZJNTWTZKDYBZBX-CQSZACIVSA-N 0 1 445.547 4.358 50 30 IIEAMN COc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000015859805 563018122 /nfs/dbraw/zinc/01/81/22/563018122.db2.gz RMBOSHBAPYVJPO-UHFFFAOYSA-N 0 1 426.885 4.114 50 30 IIEAMN C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011667894 568820663 /nfs/dbraw/zinc/82/06/63/568820663.db2.gz MVWIESFDAJDQHB-OAQYLSRUSA-N 0 1 449.595 4.127 50 30 IIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000006445640 568907447 /nfs/dbraw/zinc/90/74/47/568907447.db2.gz LBFUGDLQASROAT-AWEZNQCLSA-N 0 1 437.087 4.078 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008742933 569473060 /nfs/dbraw/zinc/47/30/60/569473060.db2.gz GNTPFUCDOGMFOZ-HXUWFJFHSA-N 0 1 449.419 4.073 50 30 IIEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2ccccc2C(F)(F)F)nc1-c1ccccc1 ZINC000008844186 569478578 /nfs/dbraw/zinc/47/85/78/569478578.db2.gz JEDLNFGJKQHJCF-UHFFFAOYSA-N 0 1 430.411 4.470 50 30 IIEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1 ZINC000008845288 569478773 /nfs/dbraw/zinc/47/87/73/569478773.db2.gz BQQXWKBYMJRMFU-XMMPIXPASA-N 0 1 433.508 4.319 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008915087 569485505 /nfs/dbraw/zinc/48/55/05/569485505.db2.gz XFZHWTBZPWTJIA-HSZRJFAPSA-N 0 1 445.519 4.259 50 30 IIEAMN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000009042100 569497667 /nfs/dbraw/zinc/49/76/67/569497667.db2.gz DXPZJIWTGIHTJO-UHFFFAOYSA-N 0 1 440.912 4.422 50 30 IIEAMN Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1C#N ZINC000009223087 569512885 /nfs/dbraw/zinc/51/28/85/569512885.db2.gz VWAUYDMQIBEWEA-UHFFFAOYSA-N 0 1 446.557 4.486 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009242410 569514669 /nfs/dbraw/zinc/51/46/69/569514669.db2.gz FPVJQPKPKQFLCM-QHCPKHFHSA-N 0 1 444.487 4.355 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000009359105 569525679 /nfs/dbraw/zinc/52/56/79/569525679.db2.gz UWQGEZJBZCMTHT-QHCPKHFHSA-N 0 1 428.488 4.486 50 30 IIEAMN COc1ccc(Br)cc1/C=N/N=C1\SC(C)C(=O)N1Cc1ccccc1 ZINC000009380250 569527863 /nfs/dbraw/zinc/52/78/63/569527863.db2.gz GPZUKTKRRWKKHB-PBTUDLSPSA-N 0 1 432.343 4.312 50 30 IIEAMN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1 ZINC000036316047 518310688 /nfs/dbraw/zinc/31/06/88/518310688.db2.gz KXJGAHNTXMHJCP-HSZRJFAPSA-N 0 1 445.563 4.163 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000013451525 523277955 /nfs/dbraw/zinc/27/79/55/523277955.db2.gz PDRCSSJFHPAZHX-QFIPXVFZSA-N 0 1 439.508 4.103 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccccc2OC)cc1OC(F)F ZINC000057878093 525216099 /nfs/dbraw/zinc/21/60/99/525216099.db2.gz OPLXJAOQYHCYIO-LJQANCHMSA-N 0 1 447.434 4.430 50 30 IIEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009089035 526268523 /nfs/dbraw/zinc/26/85/23/526268523.db2.gz CCOXEUYHIKQTTB-HKUYNNGSSA-N 0 1 442.309 4.206 50 30 IIEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000013688465 526484349 /nfs/dbraw/zinc/48/43/49/526484349.db2.gz ZDXLPPAAHYXDHQ-JOCHJYFZSA-N 0 1 430.508 4.323 50 30 IIEAMN O=C(C#Cc1ccccc1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012835900 527663295 /nfs/dbraw/zinc/66/32/95/527663295.db2.gz BLIXUSAYRZJJAD-RUZDIDTESA-N 0 1 434.555 4.097 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccncc2)cc1 ZINC000000702370 555542949 /nfs/dbraw/zinc/54/29/49/555542949.db2.gz DUBCDCZIAMDGSD-QHCPKHFHSA-N 0 1 428.488 4.301 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1OC ZINC000001154553 555658157 /nfs/dbraw/zinc/65/81/57/555658157.db2.gz VAPUTWYEIUWWGL-QFIPXVFZSA-N 0 1 444.487 4.186 50 30 IIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002501867 555784581 /nfs/dbraw/zinc/78/45/81/555784581.db2.gz PHRSQZZPVYWUJA-QGZVFWFLSA-N 0 1 439.518 4.256 50 30 IIEAMN COc1ccc(C=Nn2c(C(F)F)n[nH]c2=S)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000002792681 556144290 /nfs/dbraw/zinc/14/42/90/556144290.db2.gz ZOEQUHBWXXWQHW-LSFURLLWSA-N 0 1 449.439 4.191 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008741478 556206970 /nfs/dbraw/zinc/20/69/70/556206970.db2.gz NTBXLSZNHZFKRX-FQEVSTJZSA-N 0 1 449.850 4.422 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000008743854 556208034 /nfs/dbraw/zinc/20/80/34/556208034.db2.gz LILDGWPPVPTUFT-HSZRJFAPSA-N 0 1 445.519 4.339 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 ZINC000008996511 556239943 /nfs/dbraw/zinc/23/99/43/556239943.db2.gz FZKGSOYTPBXNSO-QFIPXVFZSA-N 0 1 429.476 4.042 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000009086363 556245525 /nfs/dbraw/zinc/24/55/25/556245525.db2.gz WOZWKPAOZOOGLO-HXUWFJFHSA-N 0 1 429.900 4.272 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C ZINC000009271688 556271106 /nfs/dbraw/zinc/27/11/06/556271106.db2.gz QXEKIXFADPSQBD-QHCPKHFHSA-N 0 1 436.552 4.314 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C ZINC000009271688 556271108 /nfs/dbraw/zinc/27/11/08/556271108.db2.gz QXEKIXFADPSQBD-QHCPKHFHSA-N 0 1 436.552 4.314 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 ZINC000009359299 556285374 /nfs/dbraw/zinc/28/53/74/556285374.db2.gz VPKCAKFTJDPKKF-QFIPXVFZSA-N 0 1 429.476 4.044 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016732432 556631937 /nfs/dbraw/zinc/63/19/37/556631937.db2.gz IGIGQNBCJLEKIC-JTHBVZDNSA-N 0 1 433.504 4.317 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000018202241 556686552 /nfs/dbraw/zinc/68/65/52/556686552.db2.gz IBBKXYUYBVMDRX-JOCHJYFZSA-N 0 1 439.508 4.017 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c(C)c1 ZINC000024080942 557135430 /nfs/dbraw/zinc/13/54/30/557135430.db2.gz NRAABGLUURWCSU-QFIPXVFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080545 557135525 /nfs/dbraw/zinc/13/55/25/557135525.db2.gz JHMGWDFHFCGNCH-HSZRJFAPSA-N 0 1 436.552 4.232 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080545 557135530 /nfs/dbraw/zinc/13/55/30/557135530.db2.gz JHMGWDFHFCGNCH-HSZRJFAPSA-N 0 1 436.552 4.232 50 30 IIEAMN CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000000801595 557219978 /nfs/dbraw/zinc/21/99/78/557219978.db2.gz PQIVRNKNQUHVSA-INIZCTEOSA-N 0 1 427.507 4.090 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Br)c2)no1 ZINC000101100261 557255202 /nfs/dbraw/zinc/25/52/02/557255202.db2.gz DYDFVYQDESNHMH-UYTDBDHRSA-N 0 1 445.294 4.433 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313371 557272063 /nfs/dbraw/zinc/27/20/63/557272063.db2.gz OHPHZVCKSLBMAZ-JBCNATCCSA-N 0 1 434.423 4.313 50 30 IIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000033379647 557294159 /nfs/dbraw/zinc/29/41/59/557294159.db2.gz BNJNHSZAMVAYDK-UQTBGETHSA-N 0 1 441.553 4.347 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 ZINC000102170306 557314067 /nfs/dbraw/zinc/31/40/67/557314067.db2.gz PLOPXXZOYHXUFA-ZHHPLPSFSA-N 0 1 443.503 4.133 50 30 IIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)ccc1OCC(C)C ZINC000102175524 557314275 /nfs/dbraw/zinc/31/42/75/557314275.db2.gz VZHKCYYMHGZVMQ-ZHHPLPSFSA-N 0 1 436.552 4.013 50 30 IIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)ccc1OCC(C)C ZINC000102175524 557314276 /nfs/dbraw/zinc/31/42/76/557314276.db2.gz VZHKCYYMHGZVMQ-ZHHPLPSFSA-N 0 1 436.552 4.013 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Br)c1 ZINC000102490237 557332309 /nfs/dbraw/zinc/33/23/09/557332309.db2.gz OIGUVAWKYWJRCC-WOOAAIBNSA-N 0 1 444.325 4.216 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102515641 557350793 /nfs/dbraw/zinc/35/07/93/557350793.db2.gz WVDLFRVJTOFILW-MRJHHRETSA-N 0 1 435.911 4.357 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1 ZINC000102553503 557358584 /nfs/dbraw/zinc/35/85/84/557358584.db2.gz PDYGENPPXQAOPY-MOBKVPTQSA-N 0 1 439.508 4.029 50 30 IIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102646091 557363866 /nfs/dbraw/zinc/36/38/66/557363866.db2.gz PHMLJZLCDKKITQ-ZHHPLPSFSA-N 0 1 444.487 4.029 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccs1 ZINC000102704881 557366127 /nfs/dbraw/zinc/36/61/27/557366127.db2.gz XARVQHSLPNAWKZ-NHFXJNLRSA-N 0 1 429.538 4.159 50 30 IIEAMN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000004860045 557397976 /nfs/dbraw/zinc/39/79/76/557397976.db2.gz QUYTVBSVFLQOHU-SFHLNBCPSA-N 0 1 427.552 4.078 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C ZINC000102863317 557403246 /nfs/dbraw/zinc/40/32/46/557403246.db2.gz CURLXSAHDHKGQA-AYWGPLOBSA-N 0 1 436.552 4.157 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C ZINC000102863317 557403250 /nfs/dbraw/zinc/40/32/50/557403250.db2.gz CURLXSAHDHKGQA-AYWGPLOBSA-N 0 1 436.552 4.157 50 30 IIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000006162527 562946448 /nfs/dbraw/zinc/94/64/48/562946448.db2.gz DPSYRLBSRFDRLP-QGZVFWFLSA-N 0 1 425.466 4.011 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000015952314 563020404 /nfs/dbraw/zinc/02/04/04/563020404.db2.gz HSAILZBGXNCOLQ-LJQANCHMSA-N 0 1 435.867 4.312 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104985236 568838685 /nfs/dbraw/zinc/83/86/85/568838685.db2.gz IJKRKHYEFVUPIY-WOJBJXKFSA-N 0 1 432.923 4.038 50 30 IIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000006136517 568845231 /nfs/dbraw/zinc/84/52/31/568845231.db2.gz HYWBBEZQDXLDHE-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)c(O)c(OC)c2)c1 ZINC000001237256 569180606 /nfs/dbraw/zinc/18/06/06/569180606.db2.gz XBJQSLMAUAUCGA-KEBDBYFISA-N 0 1 449.330 4.365 50 30 IIEAMN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cc(C#N)ccc4O)c(=O)c23)cc1 ZINC000078995129 569321636 /nfs/dbraw/zinc/32/16/36/569321636.db2.gz VMBIHIZIRMVANT-UHFFFAOYSA-N 0 1 430.489 4.040 50 30 IIEAMN COc1ccc(CN2CCN(c3c4c(c(C#N)c5nc6ccccc6n53)CCC4)CC2)cc1 ZINC000019708515 569327501 /nfs/dbraw/zinc/32/75/01/569327501.db2.gz NNLOJQWSTKUPGW-UHFFFAOYSA-N 0 1 437.547 4.179 50 30 IIEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000008742577 569472991 /nfs/dbraw/zinc/47/29/91/569472991.db2.gz GEPOAIXSBXCGIT-IBGZPJMESA-N 0 1 440.839 4.134 50 30 IIEAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000009042067 569497657 /nfs/dbraw/zinc/49/76/57/569497657.db2.gz GPTHQLWOYDTXNC-GFCCVEGCSA-N 0 1 440.912 4.090 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)cc1 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IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024081324 557135560 /nfs/dbraw/zinc/13/55/60/557135560.db2.gz UMCSJORYPAJVRJ-NRFANRHFSA-N 0 1 442.943 4.187 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000024081324 557135564 /nfs/dbraw/zinc/13/55/64/557135564.db2.gz UMCSJORYPAJVRJ-NRFANRHFSA-N 0 1 442.943 4.187 50 30 IIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000024192956 557140497 /nfs/dbraw/zinc/14/04/97/557140497.db2.gz GRYSOEOOKRZYEF-HSZRJFAPSA-N 0 1 446.503 4.138 50 30 IIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Br)cc1 ZINC000101069983 557223655 /nfs/dbraw/zinc/22/36/55/557223655.db2.gz LXWSVPRYNODBAU-DLBSFMOSSA-N 0 1 448.338 4.111 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000102369031 557318321 /nfs/dbraw/zinc/31/83/21/557318321.db2.gz WMSVBZPRGOITBR-AYWGPLOBSA-N 0 1 445.519 4.182 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccccc1 ZINC000102484508 557331107 /nfs/dbraw/zinc/33/11/07/557331107.db2.gz ZSZJLZGYRFAKQY-AYWGPLOBSA-N 0 1 437.536 4.488 50 30 IIEAMN CCSc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)s1 ZINC000102575892 557355109 /nfs/dbraw/zinc/35/51/09/557355109.db2.gz YNXSIEPISZECCW-SXWSKBOKSA-N 0 1 447.538 4.477 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102706736 557366793 /nfs/dbraw/zinc/36/67/93/557366793.db2.gz PKLFLZPVQLMHBY-LFVOPCPISA-N 0 1 435.867 4.155 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102735391 557372972 /nfs/dbraw/zinc/37/29/72/557372972.db2.gz OARTZQAHLGQFRQ-LEQIOXTRSA-N 0 1 426.472 4.027 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804329 557386353 /nfs/dbraw/zinc/38/63/53/557386353.db2.gz BQUWAPQNMAQPNN-SELCWUDQSA-N 0 1 439.811 4.171 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 ZINC000102875142 557396804 /nfs/dbraw/zinc/39/68/04/557396804.db2.gz RSRUQVSEKUETJZ-NHFXJNLRSA-N 0 1 439.874 4.188 50 30 IIEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCc2ccccc2C1 ZINC000004909266 557403314 /nfs/dbraw/zinc/40/33/14/557403314.db2.gz ONVUMEWGUZNFTO-NRFANRHFSA-N 0 1 425.536 4.249 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000100455429 557403950 /nfs/dbraw/zinc/40/39/50/557403950.db2.gz QRSMBLRLHMZWQA-AYWGPLOBSA-N 0 1 444.487 4.029 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102883300 557408767 /nfs/dbraw/zinc/40/87/67/557408767.db2.gz VGZWDMMTAISYOE-LFVOPCPISA-N 0 1 444.325 4.216 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102884179 557409114 /nfs/dbraw/zinc/40/91/14/557409114.db2.gz LGQXDVPOVHRLEG-RPUIFAKWSA-N 0 1 441.483 4.338 50 30 IIEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)ccc1O 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SFNMEYIMLRGHJS-UHFFFAOYSA-N 0 1 431.315 4.074 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000001464666 568819962 /nfs/dbraw/zinc/81/99/62/568819962.db2.gz MYUDHYRLTJGRIV-QGZVFWFLSA-N 0 1 441.896 4.291 50 30 IIEAMN COc1cc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000239174356 568910730 /nfs/dbraw/zinc/91/07/30/568910730.db2.gz PWBFJEQCGAJBMN-UHFFFAOYSA-N 0 1 443.547 4.434 50 30 IIEAMN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000252444532 569183924 /nfs/dbraw/zinc/18/39/24/569183924.db2.gz WRUPKMHBDWBHDQ-ZOCZFRKYSA-N 0 1 438.528 4.290 50 30 IIEAMN CCOc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000096336510 569396786 /nfs/dbraw/zinc/39/67/86/569396786.db2.gz JLWNEJBCHYKSCS-INIZCTEOSA-N 0 1 428.491 4.092 50 30 IIEAMN CCN(CC)C(=O)c1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C#N)c1C ZINC000002736508 569419063 /nfs/dbraw/zinc/41/90/63/569419063.db2.gz TXKGUCUKHILKEP-UHFFFAOYSA-N 0 1 431.386 4.358 50 30 IIEAMN FC(F)c1n[nH]c(=S)n1N=Cc1ccc(COc2ccc(Br)cc2)o1 ZINC000002790115 569421423 /nfs/dbraw/zinc/42/14/23/569421423.db2.gz MNKIAOHAODMFGU-FBCYGCLPSA-N 0 1 429.246 4.321 50 30 IIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1O ZINC000008742576 569473015 /nfs/dbraw/zinc/47/30/15/569473015.db2.gz GEPOAIXSBXCGIT-LJQANCHMSA-N 0 1 440.839 4.134 50 30 IIEAMN C=CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)c1 ZINC000008845291 569478769 /nfs/dbraw/zinc/47/87/69/569478769.db2.gz BFYQFPBUMQEABN-DEOSSOPVSA-N 0 1 433.508 4.319 50 30 IIEAMN CCOc1cc2c(cc1CNc1nc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]1)O[C@@H](C)C2 ZINC000040130013 569490218 /nfs/dbraw/zinc/49/02/18/569490218.db2.gz ZAGOHLPQQZQJIG-AWEZNQCLSA-N 0 1 432.480 4.064 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008996958 569495849 /nfs/dbraw/zinc/49/58/49/569495849.db2.gz GGBDHFULBOIHEO-HXUWFJFHSA-N 0 1 449.419 4.073 50 30 IIEAMN COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000009042064 569497663 /nfs/dbraw/zinc/49/76/63/569497663.db2.gz DPGUBPWMFUVNNT-GFCCVEGCSA-N 0 1 440.912 4.090 50 30 IIEAMN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000009042066 569497698 /nfs/dbraw/zinc/49/76/98/569497698.db2.gz GPTHQLWOYDTXNC-LBPRGKRZSA-N 0 1 440.912 4.090 50 30 IIEAMN CN(C)c1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000009087023 569500741 /nfs/dbraw/zinc/50/07/41/569500741.db2.gz FSGOTHOQRXWADP-UXHMZNKVSA-N 0 1 434.537 4.232 50 30 IIEAMN C=CCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000009124170 569504312 /nfs/dbraw/zinc/50/43/12/569504312.db2.gz PICXYUVLISRQBD-NRFANRHFSA-N 0 1 425.872 4.190 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009272273 569517888 /nfs/dbraw/zinc/51/78/88/569517888.db2.gz BFLRNQUESCXFIC-IEBWSBKVSA-N 0 1 442.855 4.006 50 30 IIEAMN COc1ccc(-c2n[nH]c(SCC(=O)N(CCC#N)c3cccc(Cl)c3)n2)cc1 ZINC000009339482 569523793 /nfs/dbraw/zinc/52/37/93/569523793.db2.gz MXNJWBGHPZNBOJ-UHFFFAOYSA-N 0 1 427.917 4.173 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009370493 569526823 /nfs/dbraw/zinc/52/68/23/569526823.db2.gz WHLLNUTUGHWFOP-HXUWFJFHSA-N 0 1 445.387 4.286 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)s1 ZINC000009541745 569545948 /nfs/dbraw/zinc/54/59/48/569545948.db2.gz VOTIRMDOGKNBQM-HNNXBMFYSA-N 0 1 427.482 4.182 50 30 IIEAMN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1 ZINC000036316046 518299367 /nfs/dbraw/zinc/29/93/67/518299367.db2.gz KXJGAHNTXMHJCP-QHCPKHFHSA-N 0 1 445.563 4.163 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000036145928 518988800 /nfs/dbraw/zinc/98/88/00/518988800.db2.gz HOBNXCNEJOLUSS-VXKWHMMOSA-N 0 1 428.960 4.207 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146567 518988969 /nfs/dbraw/zinc/98/89/69/518988969.db2.gz DDYDPIWQLVBIQF-VXKWHMMOSA-N 0 1 432.923 4.038 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 ZINC000008857966 519022707 /nfs/dbraw/zinc/02/27/07/519022707.db2.gz KUUCUYPCPMGLTR-HSZRJFAPSA-N 0 1 426.472 4.425 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000021487009 520328904 /nfs/dbraw/zinc/32/89/04/520328904.db2.gz IKIVEWQKUALVST-JOCHJYFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000021487009 520328912 /nfs/dbraw/zinc/32/89/12/520328912.db2.gz IKIVEWQKUALVST-JOCHJYFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)c(OC)c1OC)O2 ZINC000020611610 520416496 /nfs/dbraw/zinc/41/64/96/520416496.db2.gz OPCCZQLYUPXLJG-MOSHPQCFSA-N 0 1 427.497 4.266 50 30 biogenic IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102504941 520842001 /nfs/dbraw/zinc/84/20/01/520842001.db2.gz XVMZZNUQYBOAST-MOBKVPTQSA-N 0 1 437.536 4.451 50 30 IIEAMN COCC[NH+](CCOC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C\c1cc3ccccc3o1)O2 ZINC000020650275 523716131 /nfs/dbraw/zinc/71/61/31/523716131.db2.gz XAPZQBQPWXAQQB-HYARGMPZSA-N 0 1 437.492 4.158 50 30 IIEAMN CN(C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(Br)cc2s1 ZINC000012140803 524059474 /nfs/dbraw/zinc/05/94/74/524059474.db2.gz BEMSUTPPIZJFIM-UHFFFAOYSA-N 0 1 429.343 4.139 50 30 IIEAMN CSCCc1nc(SCC(=O)Nc2[nH]c(Cc3ccccc3)c(C)c2C#N)[nH]c1C ZINC000012372024 525599073 /nfs/dbraw/zinc/59/90/73/525599073.db2.gz AGYOTPQSQRPXCP-UHFFFAOYSA-N 0 1 439.610 4.453 50 30 IIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000012416274 525783163 /nfs/dbraw/zinc/78/31/63/525783163.db2.gz OQYOZMIORSXUTK-IBGZPJMESA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000001019486 555603409 /nfs/dbraw/zinc/60/34/09/555603409.db2.gz VHFFXISNWBRURH-JOCHJYFZSA-N 0 1 433.460 4.384 50 30 IIEAMN N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000002400404 555776062 /nfs/dbraw/zinc/77/60/62/555776062.db2.gz VXQQIPHLCWDMSP-LJQANCHMSA-N 0 1 426.929 4.312 50 30 IIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccs1 ZINC000008715459 556201766 /nfs/dbraw/zinc/20/17/66/556201766.db2.gz WNTLJTXVPRYBGN-PBHICJAKSA-N 0 1 448.338 4.268 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008738533 556205483 /nfs/dbraw/zinc/20/54/83/556205483.db2.gz AEURQCRTBBWPAS-QFIPXVFZSA-N 0 1 449.482 4.090 50 30 IIEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009089037 556245894 /nfs/dbraw/zinc/24/58/94/556245894.db2.gz CCOXEUYHIKQTTB-MJGOQNOKSA-N 0 1 442.309 4.206 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccccc1OC ZINC000009329127 556282290 /nfs/dbraw/zinc/28/22/90/556282290.db2.gz HRRFMAVIZPYBEG-QFIPXVFZSA-N 0 1 439.508 4.097 50 30 IIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009512401 556295722 /nfs/dbraw/zinc/29/57/22/556295722.db2.gz QMRFHSDRIWBWCB-NRFANRHFSA-N 0 1 449.434 4.292 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1F ZINC000016729237 556631397 /nfs/dbraw/zinc/63/13/97/556631397.db2.gz SNEIONPASPPMCK-QFIPXVFZSA-N 0 1 432.451 4.316 50 30 IIEAMN O=C(C=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2ccccc2c1 ZINC000017138890 556669513 /nfs/dbraw/zinc/66/95/13/556669513.db2.gz WXCHUKXETRROMH-NTCAYCPXSA-N 0 1 430.489 4.239 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000019885482 556938195 /nfs/dbraw/zinc/93/81/95/556938195.db2.gz WVQKXNOVPSVHPD-QHCPKHFHSA-N 0 1 434.536 4.008 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000019885482 556938199 /nfs/dbraw/zinc/93/81/99/556938199.db2.gz WVQKXNOVPSVHPD-QHCPKHFHSA-N 0 1 434.536 4.008 50 30 IIEAMN CCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000024192953 557139940 /nfs/dbraw/zinc/13/99/40/557139940.db2.gz JOZHGKFMJGNWSE-QHCPKHFHSA-N 0 1 448.519 4.362 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000101313372 557272090 /nfs/dbraw/zinc/27/20/90/557272090.db2.gz OHPHZVCKSLBMAZ-MRJHHRETSA-N 0 1 434.423 4.313 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccs1 ZINC000102550583 557358386 /nfs/dbraw/zinc/35/83/86/557358386.db2.gz ZRPDKZKFJPKDFM-HOGKFDNTSA-N 0 1 447.512 4.184 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccncc3)ccc2O1 ZINC000102735426 557372925 /nfs/dbraw/zinc/37/29/25/557372925.db2.gz YNSGBVVNGOBZJT-LEQIOXTRSA-N 0 1 426.472 4.027 50 30 IIEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102738741 557380203 /nfs/dbraw/zinc/38/02/03/557380203.db2.gz CYYBGHNGGBZPCC-SELCWUDQSA-N 0 1 439.924 4.430 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2OC)cc1C ZINC000102872770 557395896 /nfs/dbraw/zinc/39/58/96/557395896.db2.gz QWXYELGTFYIHIE-AYWGPLOBSA-N 0 1 444.487 4.029 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000102861505 557402211 /nfs/dbraw/zinc/40/22/11/557402211.db2.gz QFTPHPPIDOEECW-GROYHEBESA-N 0 1 425.897 4.435 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102883298 557408722 /nfs/dbraw/zinc/40/87/22/557408722.db2.gz VGZWDMMTAISYOE-WOOAAIBNSA-N 0 1 444.325 4.216 50 30 IIEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000104137019 557451359 /nfs/dbraw/zinc/45/13/59/557451359.db2.gz UIGBQDZLNSKGRK-MRJHHRETSA-N 0 1 448.406 4.369 50 30 IIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000006162528 562946393 /nfs/dbraw/zinc/94/63/93/562946393.db2.gz DPSYRLBSRFDRLP-KRWDZBQOSA-N 0 1 425.466 4.011 50 30 IIEAMN COc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)ccc1OCc1ccccc1F ZINC000000934680 568638725 /nfs/dbraw/zinc/63/87/25/568638725.db2.gz YLABNMWARPVTJW-NUGSKGIGSA-N 0 1 426.395 4.195 50 30 IIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(OC)cc2)C1=O ZINC000002348394 569282074 /nfs/dbraw/zinc/28/20/74/569282074.db2.gz OUSRUVHNFBYOMD-VTCXCXIKSA-N 0 1 441.553 4.347 50 30 IIEAMN COc1ccccc1CCC(=O)N1CCC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096309801 569392413 /nfs/dbraw/zinc/39/24/13/569392413.db2.gz PTHWRUJACUKCGW-AREMUKBSSA-N 0 1 447.583 4.263 50 30 biogenic IIEAMN COc1cccc(CNC(=O)N2CCC[C@]3(C2)Nc2cccnc2N=C3NC2CCCC2)c1 ZINC000096309835 569392460 /nfs/dbraw/zinc/39/24/60/569392460.db2.gz BUOGROCBUDLAPK-RUZDIDTESA-N 0 1 448.571 4.013 50 30 biogenic IIEAMN CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000096336509 569396744 /nfs/dbraw/zinc/39/67/44/569396744.db2.gz JLWNEJBCHYKSCS-MRXNPFEDSA-N 0 1 428.491 4.092 50 30 IIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Br)cc1 ZINC000009041248 569497595 /nfs/dbraw/zinc/49/75/95/569497595.db2.gz STGPBURKCWJWHD-RHSMWYFYSA-N 0 1 448.338 4.268 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009329388 569522861 /nfs/dbraw/zinc/52/28/61/569522861.db2.gz NPOKDSCWESQCQD-QFIPXVFZSA-N 0 1 441.499 4.475 50 30 IIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000009334469 569523189 /nfs/dbraw/zinc/52/31/89/569523189.db2.gz AIZCMCPTZFRTEN-HSZRJFAPSA-N 0 1 445.519 4.341 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009360396 569525817 /nfs/dbraw/zinc/52/58/17/569525817.db2.gz ODKLYCFVXOLMCH-ZHHPLPSFSA-N 0 1 436.552 4.013 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009360396 569525818 /nfs/dbraw/zinc/52/58/18/569525818.db2.gz ODKLYCFVXOLMCH-ZHHPLPSFSA-N 0 1 436.552 4.013 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000009470698 569538830 /nfs/dbraw/zinc/53/88/30/569538830.db2.gz MEIBXAOHPRSCOO-MZNJEOGPSA-N 0 1 440.499 4.226 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1C ZINC000022276177 520328844 /nfs/dbraw/zinc/32/88/44/520328844.db2.gz MWRRWFMIYOISEZ-QFIPXVFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(C#CC(C)(C)O)s2)CC1 ZINC000055182938 520466372 /nfs/dbraw/zinc/46/63/72/520466372.db2.gz ZFQRRGMPAGAWLU-UHFFFAOYSA-N 0 1 425.594 4.259 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 ZINC000102891082 520853177 /nfs/dbraw/zinc/85/31/77/520853177.db2.gz BGRIRFNPAOZWPU-ZHHPLPSFSA-N 0 1 443.503 4.277 50 30 IIEAMN CCOC(=O)c1sc(N)c(C#N)c1CSc1nc(C=Cc2ccc(F)cc2)n[nH]1 ZINC000012823344 521610774 /nfs/dbraw/zinc/61/07/74/521610774.db2.gz ZMGVQYQCDQNAQS-VMPITWQZSA-N 0 1 429.502 4.099 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000013692661 524110477 /nfs/dbraw/zinc/11/04/77/524110477.db2.gz SOZTYLMJSBZWGI-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN COc1ccc(NC(C)=O)cc1N1C(=O)C(O)=C(C(=O)C2CC2)[C@@H]1c1ccc(C)cc1C ZINC000058308598 524668740 /nfs/dbraw/zinc/66/87/40/524668740.db2.gz JSQLGMRNWGAMDY-QFIPXVFZSA-N 0 1 434.492 4.150 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000096101652 527672427 /nfs/dbraw/zinc/67/24/27/527672427.db2.gz LLWLYQJNTYUGNZ-HXUWFJFHSA-N 0 1 439.874 4.344 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccs3)ccc2O1 ZINC000000703161 555543607 /nfs/dbraw/zinc/54/36/07/555543607.db2.gz BCKMJNNFKZTVJX-SPLOXXLWSA-N 0 1 432.501 4.245 50 30 IIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)c(OC)c2)cc1Br ZINC000001476009 555701613 /nfs/dbraw/zinc/70/16/13/555701613.db2.gz OUGSJXGRGSDCAI-KEBDBYFISA-N 0 1 449.330 4.278 50 30 IIEAMN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccnc2)ccc1O ZINC000006136390 556077104 /nfs/dbraw/zinc/07/71/04/556077104.db2.gz KTTPQKLBGLNHQS-FQEVSTJZSA-N 0 1 436.851 4.232 50 30 IIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)ccc1OC(C)C ZINC000006194370 556079953 /nfs/dbraw/zinc/07/99/53/556079953.db2.gz IPGNGOHJONDNGZ-QHCPKHFHSA-N 0 1 443.503 4.351 50 30 IIEAMN O=C(c1ccco1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000008743645 556208133 /nfs/dbraw/zinc/20/81/33/556208133.db2.gz HLTJGUWDKMKLNV-GOSISDBHSA-N 0 1 439.265 4.216 50 30 IIEAMN CCc1ccc(N2C(=O)C(=CNc3ccc(Br)cc3C)C(=O)NC2=S)cc1 ZINC000009934637 556318189 /nfs/dbraw/zinc/31/81/89/556318189.db2.gz NJTVPRVEBHJXCP-RSFOSLOZSA-N 0 1 444.354 4.086 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)s1 ZINC000012062511 556395769 /nfs/dbraw/zinc/39/57/69/556395769.db2.gz VKDUYOSONXMVSX-BTDLBPIBSA-N 0 1 439.518 4.014 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000016733250 556632200 /nfs/dbraw/zinc/63/22/00/556632200.db2.gz OFALQHOFICFBCU-FQEVSTJZSA-N 0 1 447.890 4.493 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000016741950 556635767 /nfs/dbraw/zinc/63/57/67/556635767.db2.gz RQPVQXYZUXYEBB-QFIPXVFZSA-N 0 1 449.459 4.084 50 30 IIEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)ccc1OC(C)=O ZINC000016996377 556652501 /nfs/dbraw/zinc/65/25/01/556652501.db2.gz WSQBVURNQWKGJC-WSDLNYQXSA-N 0 1 426.498 4.211 50 30 IIEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2c(O)ccc3ccccc32)cc(OC)c1OC ZINC000017016940 556653058 /nfs/dbraw/zinc/65/30/58/556653058.db2.gz GTONBXJDOLKZJE-FSJBWODESA-N 0 1 436.493 4.374 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096325044 557199477 /nfs/dbraw/zinc/19/94/77/557199477.db2.gz DFUPORPLPKZFNU-HSZRJFAPSA-N 0 1 429.520 4.477 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000101069992 557223635 /nfs/dbraw/zinc/22/36/35/557223635.db2.gz SVKXUIDJMQRSAQ-UYTDBDHRSA-N 0 1 445.294 4.433 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000101069954 557223639 /nfs/dbraw/zinc/22/36/39/557223639.db2.gz RFVNXDHCATXDJJ-SELCWUDQSA-N 0 1 439.265 4.372 50 30 IIEAMN COc1ccccc1NS(=O)(=O)c1cc(NC=C2C(=O)CC(C)(C)CC2=O)ccc1C ZINC000101803746 557299244 /nfs/dbraw/zinc/29/92/44/557299244.db2.gz QYNNQODPTRQKRT-UHFFFAOYSA-N 0 1 442.537 4.058 50 30 IIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)ccc1OCC(C)C ZINC000102175603 557314301 /nfs/dbraw/zinc/31/43/01/557314301.db2.gz COPGVQXULAJAAS-MRJHHRETSA-N 0 1 442.581 4.075 50 30 IIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102537266 557346086 /nfs/dbraw/zinc/34/60/86/557346086.db2.gz NCSBURCBPZDFQH-AYWGPLOBSA-N 0 1 445.519 4.184 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C)cc2)s1 ZINC000102571958 557354775 /nfs/dbraw/zinc/35/47/75/557354775.db2.gz BNYDDHDAMPBOKR-IDTYTIONSA-N 0 1 427.507 4.096 50 30 IIEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000102736604 557369882 /nfs/dbraw/zinc/36/98/82/557369882.db2.gz SAIPPKVHLZVTRL-GHNGSUTGSA-N 0 1 439.924 4.430 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccnc3)ccc2O1 ZINC000102735386 557372780 /nfs/dbraw/zinc/37/27/80/557372780.db2.gz OARTZQAHLGQFRQ-KZVIGXRYSA-N 0 1 426.472 4.027 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccncc3)ccc2O1 ZINC000102735424 557372963 /nfs/dbraw/zinc/37/29/63/557372963.db2.gz YNSGBVVNGOBZJT-XTNNDJGYSA-N 0 1 426.472 4.027 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102799455 557389911 /nfs/dbraw/zinc/38/99/11/557389911.db2.gz VQGUSRNKPSAAPU-GHNGSUTGSA-N 0 1 439.468 4.011 50 30 IIEAMN CCSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC)c2)s1 ZINC000009329954 562969277 /nfs/dbraw/zinc/96/92/77/562969277.db2.gz LJUSDCYZVDOTMT-HNNXBMFYSA-N 0 1 443.506 4.035 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000016731559 568792581 /nfs/dbraw/zinc/79/25/81/568792581.db2.gz XULCLGLCJDDYSJ-HSZRJFAPSA-N 0 1 435.520 4.429 50 30 IIEAMN CC#CCN1C(=O)N[C@@](CCc2ccccc2)(C2CCN(Cc3ccc(CC)o3)CC2)C1=O ZINC000014878760 568827429 /nfs/dbraw/zinc/82/74/29/568827429.db2.gz MUEBVYSISSCRKH-MHZLTWQESA-N 0 1 447.579 4.001 50 30 IIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)nc1C ZINC000006144038 568845786 /nfs/dbraw/zinc/84/57/86/568845786.db2.gz NGRYVQOXIUMHCU-HNNXBMFYSA-N 0 1 440.502 4.083 50 30 IIEAMN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1 ZINC000253395324 569264583 /nfs/dbraw/zinc/26/45/83/569264583.db2.gz AJWCJSBTONWXII-KRWDZBQOSA-N 0 1 434.444 4.406 50 30 biogenic IIEAMN CCCOc1c(Cl)cc(C=CC(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000009254089 569294828 /nfs/dbraw/zinc/29/48/28/569294828.db2.gz PHLAYPLZGVNWBR-NFAHFFEMSA-N 0 1 448.928 4.335 50 30 IIEAMN CCCOc1c(Cl)cc(C=CC(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)cc1OC ZINC000009254089 569294827 /nfs/dbraw/zinc/29/48/27/569294827.db2.gz PHLAYPLZGVNWBR-NFAHFFEMSA-N 0 1 448.928 4.335 50 30 IIEAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000328600776 569318129 /nfs/dbraw/zinc/31/81/29/569318129.db2.gz ZRXQCKBJCDXYNJ-LYHRCORUSA-N 0 1 435.524 4.295 50 30 IIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000020231902 569357143 /nfs/dbraw/zinc/35/71/43/569357143.db2.gz OQYOZMIORSXUTK-LJQANCHMSA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccccc1NC(=O)N1CC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309984 569392517 /nfs/dbraw/zinc/39/25/17/569392517.db2.gz HFIZLHDJVUGLTC-VWLOTQADSA-N 0 1 442.523 4.203 50 30 biogenic IIEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccnc3)sc2c1 ZINC000027988077 569405280 /nfs/dbraw/zinc/40/52/80/569405280.db2.gz LWFYIVQCIDOKTR-LJQANCHMSA-N 0 1 447.472 4.384 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000008996768 569495897 /nfs/dbraw/zinc/49/58/97/569495897.db2.gz WSTSGIGACVNTSC-HXUWFJFHSA-N 0 1 445.387 4.420 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009009086 569496268 /nfs/dbraw/zinc/49/62/68/569496268.db2.gz ZHNUPOQXQZZYCB-OAQYLSRUSA-N 0 1 442.943 4.267 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009009086 569496269 /nfs/dbraw/zinc/49/62/69/569496269.db2.gz ZHNUPOQXQZZYCB-OAQYLSRUSA-N 0 1 442.943 4.267 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000009013645 569496605 /nfs/dbraw/zinc/49/66/05/569496605.db2.gz JTCOEEUNYYRNNW-MRXNPFEDSA-N 0 1 441.509 4.490 50 30 IIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Br)cc1 ZINC000009041246 569497619 /nfs/dbraw/zinc/49/76/19/569497619.db2.gz STGPBURKCWJWHD-WMLDXEAASA-N 0 1 448.338 4.268 50 30 IIEAMN N#Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000009308345 569521468 /nfs/dbraw/zinc/52/14/68/569521468.db2.gz KYALBPLGYULVJR-YPAWHYETSA-N 0 1 429.863 4.263 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000009359102 569525724 /nfs/dbraw/zinc/52/57/24/569525724.db2.gz UWQGEZJBZCMTHT-HSZRJFAPSA-N 0 1 428.488 4.486 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000009436832 569534882 /nfs/dbraw/zinc/53/48/82/569534882.db2.gz VLEQENWTEONWLD-FQEVSTJZSA-N 0 1 445.387 4.286 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000009451871 569536485 /nfs/dbraw/zinc/53/64/85/569536485.db2.gz MEIBXAOHPRSCOO-BXKMTCNYSA-N 0 1 440.499 4.226 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000009471034 569538897 /nfs/dbraw/zinc/53/88/97/569538897.db2.gz AZRDGLFDFWPOEP-HSZRJFAPSA-N 0 1 427.456 4.236 50 30 IIEAMN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036308688 518311348 /nfs/dbraw/zinc/31/13/48/518311348.db2.gz AEJQSBSUTVAOMQ-XMMPIXPASA-N 0 1 445.563 4.196 50 30 IIEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@H]12 ZINC000061996965 518663356 /nfs/dbraw/zinc/66/33/56/518663356.db2.gz YYNSVIHMXBJYSY-BBPVLXATSA-N 0 1 439.556 4.031 50 30 biogenic IIEAMN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCC(C)CC1 ZINC000035991748 518841269 /nfs/dbraw/zinc/84/12/69/518841269.db2.gz HSVYSBYAVIIEMZ-OAQYLSRUSA-N 0 1 431.964 4.141 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308223 518993402 /nfs/dbraw/zinc/99/34/02/518993402.db2.gz VIWBFXZZAABGEH-JOCHJYFZSA-N 0 1 433.552 4.407 50 30 IIEAMN CCOC(=O)C(N=Nc1ccc(SC(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013301001 520393483 /nfs/dbraw/zinc/39/34/83/520393483.db2.gz MSHLUVQDBJLWGX-HZHRSRAPSA-N 0 1 441.387 4.421 50 30 IIEAMN N=C(Nc1ccc(Br)cc1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000012428727 526811872 /nfs/dbraw/zinc/81/18/72/526811872.db2.gz KEYVWVUFHCQWCC-AWEZNQCLSA-N 0 1 438.734 4.114 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(F)c1 ZINC000022146448 527671894 /nfs/dbraw/zinc/67/18/94/527671894.db2.gz GQHBVTNFFRXCFK-FQEVSTJZSA-N 0 1 439.874 4.344 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000000702713 555543249 /nfs/dbraw/zinc/54/32/49/555543249.db2.gz BFBUYRHLWHHRIN-NRFANRHFSA-N 0 1 437.423 4.214 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000000702762 555543562 /nfs/dbraw/zinc/54/35/62/555543562.db2.gz TUJOARYVVRFCBJ-PZJWPPBQSA-N 0 1 441.911 4.496 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000001019485 555603344 /nfs/dbraw/zinc/60/33/44/555603344.db2.gz VHFFXISNWBRURH-QFIPXVFZSA-N 0 1 433.460 4.384 50 30 IIEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3CCc4ccccc4C3=O)cc2)n1 ZINC000006430329 556087253 /nfs/dbraw/zinc/08/72/53/556087253.db2.gz SGVFQWKPIQGLPV-JXAWBTAJSA-N 0 1 434.521 4.019 50 30 IIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000008926696 556234451 /nfs/dbraw/zinc/23/44/51/556234451.db2.gz RGHXAWKNEWSFCG-FQEVSTJZSA-N 0 1 445.899 4.059 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 ZINC000009282459 556272144 /nfs/dbraw/zinc/27/21/44/556272144.db2.gz SDTHBBJHMAFCGY-HSZRJFAPSA-N 0 1 443.503 4.434 50 30 IIEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)cc1OC ZINC000009358842 556285287 /nfs/dbraw/zinc/28/52/87/556285287.db2.gz PTZDYLDWGTXQDQ-MMXTWKRJSA-N 0 1 438.336 4.175 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009362783 556285710 /nfs/dbraw/zinc/28/57/10/556285710.db2.gz MTMMHWMQNKHJPT-QFIPXVFZSA-N 0 1 444.443 4.382 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 ZINC000009359782 556285723 /nfs/dbraw/zinc/28/57/23/556285723.db2.gz SLWLBJWQQSPSET-HSZRJFAPSA-N 0 1 443.503 4.434 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016732413 556631698 /nfs/dbraw/zinc/63/16/98/556631698.db2.gz WPOPLVJMHBZLRU-IFMALSPDSA-N 0 1 437.467 4.148 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000016742383 556636361 /nfs/dbraw/zinc/63/63/61/556636361.db2.gz VJCJNVSCUYNZCS-HSZRJFAPSA-N 0 1 432.520 4.390 50 30 IIEAMN COc1cc([N+](=O)[O-])cc(/C=N/CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O ZINC000019635443 556834745 /nfs/dbraw/zinc/83/47/45/556834745.db2.gz XECQNLPFYQCRHJ-LSHDLFTRSA-N 0 1 442.350 4.157 50 30 IIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000024192955 557140058 /nfs/dbraw/zinc/14/00/58/557140058.db2.gz GRYSOEOOKRZYEF-QHCPKHFHSA-N 0 1 446.503 4.138 50 30 IIEAMN COc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000018196116 557248006 /nfs/dbraw/zinc/24/80/06/557248006.db2.gz XHSFICOAOKXBKY-NRFANRHFSA-N 0 1 446.463 4.368 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101314128 557272510 /nfs/dbraw/zinc/27/25/10/557272510.db2.gz NDSKYNHXCCMQEO-MRJHHRETSA-N 0 1 432.501 4.330 50 30 IIEAMN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000102368270 557318078 /nfs/dbraw/zinc/31/80/78/557318078.db2.gz YJPYTHLOLBTEHK-ZHHPLPSFSA-N 0 1 443.503 4.194 50 30 IIEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102402609 557323169 /nfs/dbraw/zinc/32/31/69/557323169.db2.gz DHVJSNJOTQBYRI-HOGKFDNTSA-N 0 1 430.508 4.167 50 30 IIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102537260 557346035 /nfs/dbraw/zinc/34/60/35/557346035.db2.gz NCSBURCBPZDFQH-ZHHPLPSFSA-N 0 1 445.519 4.184 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000102549449 557349020 /nfs/dbraw/zinc/34/90/20/557349020.db2.gz WVZBSRQLGPRVNV-ZHHPLPSFSA-N 0 1 427.456 4.080 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102527257 557353751 /nfs/dbraw/zinc/35/37/51/557353751.db2.gz DCBCXDKFTUBPKJ-HOGKFDNTSA-N 0 1 437.536 4.369 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804331 557386524 /nfs/dbraw/zinc/38/65/24/557386524.db2.gz BQUWAPQNMAQPNN-GHNGSUTGSA-N 0 1 439.811 4.171 50 30 IIEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102860190 557399773 /nfs/dbraw/zinc/39/97/73/557399773.db2.gz VEWONAWRNABOEZ-UYTDBDHRSA-N 0 1 441.490 4.356 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000102882399 557408542 /nfs/dbraw/zinc/40/85/42/557408542.db2.gz ZDIKQVVEULZIIQ-AYWGPLOBSA-N 0 1 445.519 4.184 50 30 IIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102934848 557413302 /nfs/dbraw/zinc/41/33/02/557413302.db2.gz CYHMILHCBPHRCO-MRJHHRETSA-N 0 1 441.911 4.363 50 30 IIEAMN COc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(C)cc3)C(=O)c3ccccc32)cc1 ZINC000103746109 557441144 /nfs/dbraw/zinc/44/11/44/557441144.db2.gz OWPPGNVZRGAQOY-XTCLZLMSSA-N 0 1 432.501 4.374 50 30 IIEAMN C=C[C@](C)(C[C@@H](OCOC)[C@]1(C)C2=C(CCC2=O)CC[C@@H]1C)C([O-])=C([N+]#N)C(=O)OC ZINC000526066229 568745357 /nfs/dbraw/zinc/74/53/57/568745357.db2.gz UQBVIMJSHSWXAR-VITDHJIUSA-O 0 1 433.525 4.449 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001464715 568820275 /nfs/dbraw/zinc/82/02/75/568820275.db2.gz FRXYSNGMLUBHID-QGZVFWFLSA-N 0 1 441.896 4.291 50 30 IIEAMN CCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CC)cc3)S2)cc1OC ZINC000006138845 568845185 /nfs/dbraw/zinc/84/51/85/568845185.db2.gz WDZLINMMUGXHHT-SGSZHJQISA-N 0 1 425.554 4.211 50 30 IIEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000006445161 568907249 /nfs/dbraw/zinc/90/72/49/568907249.db2.gz BRJMPWFLSAKBIC-NRFANRHFSA-N 0 1 448.862 4.242 50 30 IIEAMN Oc1c(I)cc(Cl)cc1C=Nc1ccc(N2CCOCC2)cc1 ZINC000252639360 569208355 /nfs/dbraw/zinc/20/83/55/569208355.db2.gz YKBAMGMJVWNZDT-UHFFFAOYSA-N 0 1 442.684 4.237 50 30 IIEAMN C=CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000008845429 569478796 /nfs/dbraw/zinc/47/87/96/569478796.db2.gz VKPGLGJXIRYPSS-RUZDIDTESA-N 0 1 438.487 4.488 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009069847 569500086 /nfs/dbraw/zinc/50/00/86/569500086.db2.gz KVGGXZVGLQJFAS-HSZRJFAPSA-N 0 1 444.487 4.353 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009272271 569517899 /nfs/dbraw/zinc/51/78/99/569517899.db2.gz BFLRNQUESCXFIC-PKOBYXMFSA-N 0 1 442.855 4.006 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009312396 569521853 /nfs/dbraw/zinc/52/18/53/569521853.db2.gz SRCPAGJZQCPCSI-VOIUYBSRSA-N 0 1 441.483 4.494 50 30 IIEAMN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1C#N ZINC000009338308 569523681 /nfs/dbraw/zinc/52/36/81/569523681.db2.gz FKDQSKRZLDBCPO-OAHLLOKOSA-N 0 1 443.960 4.416 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 ZINC000009350518 569524783 /nfs/dbraw/zinc/52/47/83/569524783.db2.gz OFMKNMVUUWAMLJ-JOCHJYFZSA-N 0 1 429.476 4.044 50 30 IIEAMN C=CCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000009579820 569548569 /nfs/dbraw/zinc/54/85/69/569548569.db2.gz CDOWVIWSSWRVDY-JOCHJYFZSA-N 0 1 439.563 4.388 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000036146586 518989368 /nfs/dbraw/zinc/98/93/68/518989368.db2.gz JMINTAAOYOSRBR-GOTSBHOMSA-N 0 1 428.960 4.207 50 30 IIEAMN CN(C)[C@@H](CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccncc1)c1cccs1 ZINC000020573468 522007923 /nfs/dbraw/zinc/00/79/23/522007923.db2.gz IIIJOUVCTJMMOQ-GHTZIAJQSA-N 0 1 433.533 4.024 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)cc1F ZINC000013691771 523563171 /nfs/dbraw/zinc/56/31/71/523563171.db2.gz MCRISMIJZQCGSP-OAQYLSRUSA-N 0 1 436.414 4.147 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026458957 525222229 /nfs/dbraw/zinc/22/22/29/525222229.db2.gz UKCPAFWSFCQJIG-OAQYLSRUSA-N 0 1 437.423 4.214 50 30 IIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)ccc1OC(C)C ZINC000013451574 526199238 /nfs/dbraw/zinc/19/92/38/526199238.db2.gz XEKZZNYKWXMWMX-HSZRJFAPSA-N 0 1 443.503 4.351 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000102549459 526955859 /nfs/dbraw/zinc/95/58/59/526955859.db2.gz WVZBSRQLGPRVNV-AYWGPLOBSA-N 0 1 427.456 4.080 50 30 IIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccnc1 ZINC000000625888 555512613 /nfs/dbraw/zinc/51/26/13/555512613.db2.gz XFVFNGHWXMOUGE-GOSISDBHSA-N 0 1 439.265 4.216 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000000860879 555572117 /nfs/dbraw/zinc/57/21/17/555572117.db2.gz WYUUGIWVTSIHMZ-LJQANCHMSA-N 0 1 435.823 4.426 50 30 IIEAMN COC(=O)c1ccc(NN=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000008400314 556165848 /nfs/dbraw/zinc/16/58/48/556165848.db2.gz CIARBOCLVHBYNO-QGMBQPNBSA-N 0 1 428.080 4.150 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)s1 ZINC000008739876 556205928 /nfs/dbraw/zinc/20/59/28/556205928.db2.gz FLMGEXGKFPHADW-KRWDZBQOSA-N 0 1 441.534 4.478 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)s1 ZINC000008740841 556206508 /nfs/dbraw/zinc/20/65/08/556206508.db2.gz XDSPXANAEQGCBJ-LJQANCHMSA-N 0 1 435.505 4.417 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000009042047 556241849 /nfs/dbraw/zinc/24/18/49/556241849.db2.gz CDCLIPISBUIMLF-QHCPKHFHSA-N 0 1 444.487 4.186 50 30 IIEAMN CCc1ccc(N2C(=O)C(=CNc3ccc(Br)cc3C)C(=O)NC2=S)cc1 ZINC000009323912 556281814 /nfs/dbraw/zinc/28/18/14/556281814.db2.gz NJTVPRVEBHJXCP-CNPYVQQSSA-N 0 1 444.354 4.086 50 30 IIEAMN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)cc1OC ZINC000009358839 556285294 /nfs/dbraw/zinc/28/52/94/556285294.db2.gz PTZDYLDWGTXQDQ-KQFRHJRUSA-N 0 1 438.336 4.175 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1 ZINC000009359780 556285878 /nfs/dbraw/zinc/28/58/78/556285878.db2.gz SLWLBJWQQSPSET-QHCPKHFHSA-N 0 1 443.503 4.434 50 30 IIEAMN N#CC(c1nc2ccccc2nc1NCCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000032828679 556412971 /nfs/dbraw/zinc/41/29/71/556412971.db2.gz NCCOTKXPUDQJSH-QFIPXVFZSA-N 0 1 446.507 4.462 50 30 IIEAMN C=CCOc1ccc(CN(C)C(=O)c2[nH]nc3ccc(I)cc32)cc1 ZINC000072302689 556547288 /nfs/dbraw/zinc/54/72/88/556547288.db2.gz GPZFMMZCRWWSCM-UHFFFAOYSA-N 0 1 447.276 4.005 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016732437 556631930 /nfs/dbraw/zinc/63/19/30/556631930.db2.gz IGIGQNBCJLEKIC-FYYLOGMGSA-N 0 1 433.504 4.317 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000016734487 556632824 /nfs/dbraw/zinc/63/28/24/556632824.db2.gz LQFFHCAAJVDHGE-HXUWFJFHSA-N 0 1 427.884 4.130 50 30 IIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccnc2)ccc1O ZINC000018030740 556681934 /nfs/dbraw/zinc/68/19/34/556681934.db2.gz KTTPQKLBGLNHQS-HXUWFJFHSA-N 0 1 436.851 4.232 50 30 IIEAMN COc1cc(OC)c(OC)cc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019682339 556841865 /nfs/dbraw/zinc/84/18/65/556841865.db2.gz KTQQZIDFOMMUNZ-MTDXEUNCSA-N 0 1 443.547 4.434 50 30 IIEAMN COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1O ZINC000019808423 556918375 /nfs/dbraw/zinc/91/83/75/556918375.db2.gz OXPFORPTVXTJSC-WPWMEQJKSA-N 0 1 429.520 4.131 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000019885484 556938652 /nfs/dbraw/zinc/93/86/52/556938652.db2.gz WVQKXNOVPSVHPD-HSZRJFAPSA-N 0 1 434.536 4.008 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000019885484 556938655 /nfs/dbraw/zinc/93/86/55/556938655.db2.gz WVQKXNOVPSVHPD-HSZRJFAPSA-N 0 1 434.536 4.008 50 30 IIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Br)cc1 ZINC000101069981 557223678 /nfs/dbraw/zinc/22/36/78/557223678.db2.gz 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Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102804318 557386415 /nfs/dbraw/zinc/38/64/15/557386415.db2.gz CJIWTIKMQSATHL-GHNGSUTGSA-N 0 1 439.811 4.171 50 30 IIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102875019 557396832 /nfs/dbraw/zinc/39/68/32/557396832.db2.gz FEHYXQXNKJCZIQ-HOGKFDNTSA-N 0 1 428.444 4.259 50 30 IIEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2F)cc1 ZINC000100344524 557400509 /nfs/dbraw/zinc/40/05/09/557400509.db2.gz DOVUJCRIZRJTSX-MRJHHRETSA-N 0 1 448.406 4.369 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 ZINC000102887461 557405100 /nfs/dbraw/zinc/40/51/00/557405100.db2.gz WERSWSXYSIDSAT-ZHHPLPSFSA-N 0 1 443.503 4.277 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000102882336 557408552 /nfs/dbraw/zinc/40/85/52/557408552.db2.gz DALHPEHIOQKNMU-MOBKVPTQSA-N 0 1 433.460 4.227 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)cc1C ZINC000102932407 557413133 /nfs/dbraw/zinc/41/31/33/557413133.db2.gz VROUSIXTFHYMBU-MRJHHRETSA-N 0 1 442.581 4.219 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000006499265 562946975 /nfs/dbraw/zinc/94/69/75/562946975.db2.gz MSWFSMGEZVGEBQ-JOCHJYFZSA-N 0 1 449.459 4.084 50 30 IIEAMN COc1ccc(NC2=C[C@@](C)(O)[C@H](C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2C(C)=O)cc1 ZINC000008857519 562965277 /nfs/dbraw/zinc/96/52/77/562965277.db2.gz RFOIDJZODOFUNK-JIMJEQGWSA-N 0 1 436.552 4.160 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000104985118 568623593 /nfs/dbraw/zinc/62/35/93/568623593.db2.gz JMINTAAOYOSRBR-DHIUTWEWSA-N 0 1 428.960 4.207 50 30 IIEAMN C=CCC(O)(CC=C)[C@H](C)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011667893 568820658 /nfs/dbraw/zinc/82/06/58/568820658.db2.gz MVWIESFDAJDQHB-NRFANRHFSA-N 0 1 449.595 4.127 50 30 IIEAMN Cc1ccc(-c2nc(SCCCCN3C(=O)c4ccccc4C3=O)[nH]c(=O)c2C#N)cc1 ZINC000009042116 569292979 /nfs/dbraw/zinc/29/29/79/569292979.db2.gz ZIXHRKQSVLMHNM-UHFFFAOYSA-N 0 1 444.516 4.198 50 30 IIEAMN COc1ccccc1-c1nn(C)cc1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000328591581 569317076 /nfs/dbraw/zinc/31/70/76/569317076.db2.gz VKPJKESJJQTAAL-UHFFFAOYSA-N 0 1 436.903 4.082 50 30 IIEAMN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCOc2ccccc2)CC1 ZINC000019808425 569329807 /nfs/dbraw/zinc/32/98/07/569329807.db2.gz RPQTZFHLHSUHEM-UHFFFAOYSA-N 0 1 439.563 4.431 50 30 IIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000002501877 569406090 /nfs/dbraw/zinc/40/60/90/569406090.db2.gz KXYZPHIMEKLQOU-OAQYLSRUSA-N 0 1 432.501 4.486 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008742932 569473042 /nfs/dbraw/zinc/47/30/42/569473042.db2.gz GNTPFUCDOGMFOZ-FQEVSTJZSA-N 0 1 449.419 4.073 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1Cl 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/nfs/dbraw/zinc/23/59/15/519235915.db2.gz LIENJNVDJPQXPW-RBBKRZOGSA-N 0 1 427.618 4.357 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F ZINC000013690008 519778454 /nfs/dbraw/zinc/77/84/54/519778454.db2.gz JEPUSEOJFIXGIW-SFHVURJKSA-N 0 1 439.468 4.247 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1C ZINC000022275944 520327792 /nfs/dbraw/zinc/32/77/92/520327792.db2.gz NOZKXSAZNLUZQI-JOCHJYFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102543359 520773137 /nfs/dbraw/zinc/77/31/37/520773137.db2.gz FWDHCXCPBMDSBE-HOGKFDNTSA-N 0 1 433.460 4.314 50 30 IIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000078549872 521705523 /nfs/dbraw/zinc/70/55/23/521705523.db2.gz NEQZWUFQBIEFCX-FQEVSTJZSA-N 0 1 429.900 4.354 50 30 IIEAMN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2C[N@H+]2CCCC[C@H]2C)C1=O ZINC000020611042 522818172 /nfs/dbraw/zinc/81/81/72/522818172.db2.gz RMZDVXXBJPMCSY-HQXWYHRWSA-N 0 1 439.508 4.409 50 30 biogenic IIEAMN CSCCc1[nH]c(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c(C#N)c1C ZINC000012372028 525600116 /nfs/dbraw/zinc/60/01/16/525600116.db2.gz ACCVRNQRKBEVDP-UHFFFAOYSA-N 0 1 439.610 4.453 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000000634318 555516373 /nfs/dbraw/zinc/51/63/73/555516373.db2.gz UKKHGYFDLBPITO-MRXNPFEDSA-N 0 1 429.860 4.422 50 30 IIEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008988351 556238691 /nfs/dbraw/zinc/23/86/91/556238691.db2.gz RRJABYSDHKZHGE-KRWDZBQOSA-N 0 1 443.253 4.122 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000009041237 556242037 /nfs/dbraw/zinc/24/20/37/556242037.db2.gz RUGDCVVQSMXNOP-FQEVSTJZSA-N 0 1 429.900 4.272 50 30 IIEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009089038 556245906 /nfs/dbraw/zinc/24/59/06/556245906.db2.gz CCOXEUYHIKQTTB-IEBWSBKVSA-N 0 1 442.309 4.206 50 30 IIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009123733 556248277 /nfs/dbraw/zinc/24/82/77/556248277.db2.gz ZJKLLHBMJQXJIW-QHCPKHFHSA-N 0 1 445.519 4.341 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccc(Br)c1 ZINC000009272756 556271451 /nfs/dbraw/zinc/27/14/51/556271451.db2.gz RHVMTLXDXXUXSD-GOSISDBHSA-N 0 1 430.298 4.064 50 30 IIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)ccc1OCC(C)C ZINC000009302011 556275891 /nfs/dbraw/zinc/27/58/91/556275891.db2.gz YFAHFVPSTPKBIE-NRFANRHFSA-N 0 1 442.581 4.231 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000009334234 556283098 /nfs/dbraw/zinc/28/30/98/556283098.db2.gz UZLJKSHYNQUJPG-QHCPKHFHSA-N 0 1 443.503 4.117 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 ZINC000009359302 556285301 /nfs/dbraw/zinc/28/53/01/556285301.db2.gz VPKCAKFTJDPKKF-JOCHJYFZSA-N 0 1 429.476 4.044 50 30 IIEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013785607 556308831 /nfs/dbraw/zinc/30/88/31/556308831.db2.gz BRMWQJFCEFENML-UEXGIBASSA-N 0 1 443.551 4.044 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016700786 556629837 /nfs/dbraw/zinc/62/98/37/556629837.db2.gz QCFYOGHHFDQLFM-HXUWFJFHSA-N 0 1 429.900 4.354 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000016737358 556633963 /nfs/dbraw/zinc/63/39/63/556633963.db2.gz HLINXSODRIZPKZ-JOCHJYFZSA-N 0 1 449.459 4.084 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2OC)cc1C ZINC000017138349 556669414 /nfs/dbraw/zinc/66/94/14/556669414.db2.gz VIGSULWEIBOFQF-QHCPKHFHSA-N 0 1 444.487 4.186 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020229220 557001689 /nfs/dbraw/zinc/00/16/89/557001689.db2.gz UMBHDSMLWIKHQP-NRFANRHFSA-N 0 1 440.927 4.045 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020229220 557001690 /nfs/dbraw/zinc/00/16/90/557001690.db2.gz UMBHDSMLWIKHQP-NRFANRHFSA-N 0 1 440.927 4.045 50 30 IIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000091323630 557141360 /nfs/dbraw/zinc/14/13/60/557141360.db2.gz GYIBKHZPQXQFPJ-HXUWFJFHSA-N 0 1 439.874 4.344 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000026533469 557243561 /nfs/dbraw/zinc/24/35/61/557243561.db2.gz UGBUYVCJJXJSOO-KRWDZBQOSA-N 0 1 439.424 4.282 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000101101625 557255549 /nfs/dbraw/zinc/25/55/49/557255549.db2.gz XSTIFXQJQKDGJX-GHNGSUTGSA-N 0 1 439.265 4.372 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 ZINC000102170301 557314032 /nfs/dbraw/zinc/31/40/32/557314032.db2.gz PLOPXXZOYHXUFA-AYWGPLOBSA-N 0 1 443.503 4.133 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)s1 ZINC000102656136 557361592 /nfs/dbraw/zinc/36/15/92/557361592.db2.gz YASYMYDOHDHLKU-IDTYTIONSA-N 0 1 427.482 4.025 50 30 IIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102735106 557372405 /nfs/dbraw/zinc/37/24/05/557372405.db2.gz DQSWCOQEVIDKDJ-VAGBDARLSA-N 0 1 448.563 4.117 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccncc3)ccc2O1 ZINC000102735421 557372953 /nfs/dbraw/zinc/37/29/53/557372953.db2.gz YNSGBVVNGOBZJT-KZVIGXRYSA-N 0 1 426.472 4.027 50 30 IIEAMN COc1ccc(Cl)cc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 ZINC000102741753 557376343 /nfs/dbraw/zinc/37/63/43/557376343.db2.gz QDSIHAICLZQAKD-LFVOPCPISA-N 0 1 440.908 4.427 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102801234 557390378 /nfs/dbraw/zinc/39/03/78/557390378.db2.gz HIRPYIFEBJWQMK-LFVOPCPISA-N 0 1 438.823 4.463 50 30 IIEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102800874 557390670 /nfs/dbraw/zinc/39/06/70/557390670.db2.gz NMFPJEMVLARMBX-MRJHHRETSA-N 0 1 448.406 4.369 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1 ZINC000102891080 557405389 /nfs/dbraw/zinc/40/53/89/557405389.db2.gz BGRIRFNPAOZWPU-AYWGPLOBSA-N 0 1 443.503 4.277 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102884178 557408940 /nfs/dbraw/zinc/40/89/40/557408940.db2.gz LGQXDVPOVHRLEG-CIKQMSCWSA-N 0 1 441.483 4.338 50 30 IIEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000002758059 562930212 /nfs/dbraw/zinc/93/02/12/562930212.db2.gz FNZHACBCLXJSBM-UHFFFAOYSA-N 0 1 430.411 4.470 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008856440 562965268 /nfs/dbraw/zinc/96/52/68/562965268.db2.gz VHVXGZDDADGJCI-FQEVSTJZSA-N 0 1 445.387 4.420 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000009008359 562966577 /nfs/dbraw/zinc/96/65/77/562966577.db2.gz VQTFHEHEOGKKFT-JOCHJYFZSA-N 0 1 449.459 4.084 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1OC ZINC000006282463 568881813 /nfs/dbraw/zinc/88/18/13/568881813.db2.gz OHQVHZWNVHOHMQ-SFHVURJKSA-N 0 1 440.452 4.082 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccncc1 ZINC000008818339 568927303 /nfs/dbraw/zinc/92/73/03/568927303.db2.gz PYSANIVRAVCEND-QFIPXVFZSA-N 0 1 438.524 4.040 50 30 biogenic IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009272132 569517810 /nfs/dbraw/zinc/51/78/10/569517810.db2.gz PRANUAYPOZYICI-QFIPXVFZSA-N 0 1 449.459 4.084 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009272272 569517920 /nfs/dbraw/zinc/51/79/20/569517920.db2.gz BFLRNQUESCXFIC-HKUYNNGSSA-N 0 1 442.855 4.006 50 30 IIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000009272333 569517928 /nfs/dbraw/zinc/51/79/28/569517928.db2.gz LNTJULWESCSAFR-VAVHGKRESA-N 0 1 429.517 4.477 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009293116 569520183 /nfs/dbraw/zinc/52/01/83/569520183.db2.gz IZLYKMAGPIUOSQ-FQEVSTJZSA-N 0 1 445.387 4.286 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000009312524 569521823 /nfs/dbraw/zinc/52/18/23/569521823.db2.gz GBCISDBAPNFHID-WAIKUNEKSA-N 0 1 426.472 4.184 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1 ZINC000009357000 569525552 /nfs/dbraw/zinc/52/55/52/569525552.db2.gz OKRLEJBKTYBITO-QFIPXVFZSA-N 0 1 440.515 4.000 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nnc(SC)s2)c1 ZINC000009487942 569539829 /nfs/dbraw/zinc/53/98/29/569539829.db2.gz KXKQCJRHOHFADG-INIZCTEOSA-N 0 1 439.518 4.052 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000009488180 569539870 /nfs/dbraw/zinc/53/98/70/569539870.db2.gz SKKGDZLMHCLNMV-AWEZNQCLSA-N 0 1 445.547 4.113 50 30 IIEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(I)c1O ZINC000009111329 569584177 /nfs/dbraw/zinc/58/41/77/569584177.db2.gz ZIJWYVIECFQFGW-CAOOACKPSA-N 0 1 425.251 4.061 50 30 IIEAMN CC[NH+]1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)CC1 ZINC000022625797 521686930 /nfs/dbraw/zinc/68/69/30/521686930.db2.gz IONFMQKAILQGFC-JAIQZWGSSA-N 0 1 433.335 4.453 50 30 IIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000066091525 521705554 /nfs/dbraw/zinc/70/55/54/521705554.db2.gz LMBQTDNLVRYTOO-NRFANRHFSA-N 0 1 427.472 4.229 50 30 IIEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC ZINC000009318196 521900069 /nfs/dbraw/zinc/90/00/69/521900069.db2.gz ONJGOEMODKFETJ-AWQFTUOYSA-N 0 1 449.876 4.077 50 30 IIEAMN COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000012467722 521988096 /nfs/dbraw/zinc/98/80/96/521988096.db2.gz PWBFJEQCGAJBMN-MTDXEUNCSA-N 0 1 443.547 4.434 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(O)cc1 ZINC000009437045 523279191 /nfs/dbraw/zinc/27/91/91/523279191.db2.gz KALVOHRFXYLPKQ-JOCHJYFZSA-N 0 1 439.508 4.042 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000009271633 525387875 /nfs/dbraw/zinc/38/78/75/525387875.db2.gz AWKLSSBKWNVEQY-QFIPXVFZSA-N 0 1 433.460 4.384 50 30 IIEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000009089036 526268862 /nfs/dbraw/zinc/26/88/62/526268862.db2.gz CCOXEUYHIKQTTB-PKOBYXMFSA-N 0 1 442.309 4.206 50 30 IIEAMN O=C([O-])c1ccc(NC(=[NH+]CCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000021046680 526360579 /nfs/dbraw/zinc/36/05/79/526360579.db2.gz SOFSGYKIZQSJBR-UHFFFAOYSA-N 0 1 434.584 4.155 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000836379 555566988 /nfs/dbraw/zinc/56/69/88/555566988.db2.gz BLRJJBWTXAIJPV-INIZCTEOSA-N 0 1 441.852 4.488 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000000836376 555567019 /nfs/dbraw/zinc/56/70/19/555567019.db2.gz CASYEOORWWSNSQ-MRXNPFEDSA-N 0 1 441.852 4.488 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nnc(C)s2)o1 ZINC000001153089 555657495 /nfs/dbraw/zinc/65/74/95/555657495.db2.gz WRLPWYRUTNQLDW-GOSISDBHSA-N 0 1 439.493 4.318 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000006444679 556087871 /nfs/dbraw/zinc/08/78/71/556087871.db2.gz HEFNVTXVSDCJSJ-INIZCTEOSA-N 0 1 429.860 4.422 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000006444664 556087991 /nfs/dbraw/zinc/08/79/91/556087991.db2.gz HEFNVTXVSDCJSJ-MRXNPFEDSA-N 0 1 429.860 4.422 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008739796 556205894 /nfs/dbraw/zinc/20/58/94/556205894.db2.gz RQOHRCQABMKTTE-QHCPKHFHSA-N 0 1 444.487 4.267 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Br)c1 ZINC000009375297 556286818 /nfs/dbraw/zinc/28/68/18/556286818.db2.gz FECRVGQGAATOQG-IBGZPJMESA-N 0 1 444.325 4.372 50 30 IIEAMN Cc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1C#N ZINC000014170452 556381239 /nfs/dbraw/zinc/38/12/39/556381239.db2.gz IEWJAVZQZSVGFH-UHFFFAOYSA-N 0 1 438.490 4.262 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1ccc(Br)cc1 ZINC000009360020 556523330 /nfs/dbraw/zinc/52/33/30/556523330.db2.gz OVUCBICRNPPPMA-GOSISDBHSA-N 0 1 436.265 4.022 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 ZINC000016732244 556631614 /nfs/dbraw/zinc/63/16/14/556631614.db2.gz YFBMVJKYTPNDEX-QHCPKHFHSA-N 0 1 426.472 4.425 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)cc1Cl ZINC000016733197 556632250 /nfs/dbraw/zinc/63/22/50/556632250.db2.gz BHNQTNACKWDNCD-FQEVSTJZSA-N 0 1 446.906 4.018 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000016805565 556643356 /nfs/dbraw/zinc/64/33/56/556643356.db2.gz WTRRYXPNNFGTTD-HXUWFJFHSA-N 0 1 436.395 4.414 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)cc1C ZINC000017138347 556669402 /nfs/dbraw/zinc/66/94/02/556669402.db2.gz VIGSULWEIBOFQF-HSZRJFAPSA-N 0 1 444.487 4.186 50 30 IIEAMN COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1OC(C)=O ZINC000019861280 556933629 /nfs/dbraw/zinc/93/36/29/556933629.db2.gz KFXHIJXMFRDODQ-MTDXEUNCSA-N 0 1 441.531 4.342 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020281827 557005376 /nfs/dbraw/zinc/00/53/76/557005376.db2.gz UOEJXPRSGMYBJL-OAQYLSRUSA-N 0 1 442.943 4.267 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000020281827 557005380 /nfs/dbraw/zinc/00/53/80/557005380.db2.gz UOEJXPRSGMYBJL-OAQYLSRUSA-N 0 1 442.943 4.267 50 30 IIEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(O)c3)sc2c1 ZINC000000796047 557204834 /nfs/dbraw/zinc/20/48/34/557204834.db2.gz MURDUXMGDDMWHV-LJQANCHMSA-N 0 1 448.456 4.386 50 30 IIEAMN COc1cc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc([N+](=O)[O-])c1O ZINC000018197497 557246973 /nfs/dbraw/zinc/24/69/73/557246973.db2.gz GRAUCXQLIKGAGE-HXUWFJFHSA-N 0 1 438.436 4.238 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 ZINC000101287480 557267899 /nfs/dbraw/zinc/26/78/99/557267899.db2.gz LQVNGMLGJTXRHJ-MRJHHRETSA-N 0 1 434.423 4.313 50 30 IIEAMN COc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(C)cc3)C(=O)c3ccccc32)cc1 ZINC000100822154 557276623 /nfs/dbraw/zinc/27/66/23/557276623.db2.gz OWPPGNVZRGAQOY-ROMGYVFFSA-N 0 1 432.501 4.374 50 30 IIEAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)c(C#N)c1C ZINC000000830818 557290832 /nfs/dbraw/zinc/29/08/32/557290832.db2.gz WCTVDJYSNVPEOB-MHWRWJLKSA-N 0 1 428.901 4.477 50 30 IIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000102534084 557344176 /nfs/dbraw/zinc/34/41/76/557344176.db2.gz HPFZKBRSUUSLRX-ZHHPLPSFSA-N 0 1 445.519 4.184 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102527250 557353802 /nfs/dbraw/zinc/35/38/02/557353802.db2.gz DCBCXDKFTUBPKJ-MOBKVPTQSA-N 0 1 437.536 4.369 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccncc3)ccc2O1 ZINC000102735428 557372881 /nfs/dbraw/zinc/37/28/81/557372881.db2.gz YNSGBVVNGOBZJT-FIMCBBJJSA-N 0 1 426.472 4.027 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102799458 557389727 /nfs/dbraw/zinc/38/97/27/557389727.db2.gz VQGUSRNKPSAAPU-SELCWUDQSA-N 0 1 439.468 4.011 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102862344 557402873 /nfs/dbraw/zinc/40/28/73/557402873.db2.gz VOGGFPZRWWSBAY-NHFXJNLRSA-N 0 1 445.387 4.129 50 30 IIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102863529 557403732 /nfs/dbraw/zinc/40/37/32/557403732.db2.gz FKMQZKBJSAGQST-HOGKFDNTSA-N 0 1 433.460 4.227 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000102890642 557405528 /nfs/dbraw/zinc/40/55/28/557405528.db2.gz QFDVISLOPRBRRG-YDJIHCHBSA-N 0 1 445.387 4.129 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000102886987 557409682 /nfs/dbraw/zinc/40/96/82/557409682.db2.gz INCXTEPWHSPUDU-ZHHPLPSFSA-N 0 1 445.446 4.219 50 30 IIEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000104128729 557450964 /nfs/dbraw/zinc/45/09/64/557450964.db2.gz WUMHETUVXCHIHB-JBCNATCCSA-N 0 1 432.407 4.356 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)s1 ZINC000009540926 562973134 /nfs/dbraw/zinc/97/31/34/562973134.db2.gz KNWRADJWCACUPH-OAHLLOKOSA-N 0 1 427.507 4.253 50 30 IIEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000004008747 568803686 /nfs/dbraw/zinc/80/36/86/568803686.db2.gz FRIIQROATIRGLM-QFIPXVFZSA-N 0 1 432.455 4.036 50 30 IIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006149725 568846933 /nfs/dbraw/zinc/84/69/33/568846933.db2.gz AMXVOGCPYPAVCB-NRFANRHFSA-N 0 1 425.481 4.091 50 30 IIEAMN O[C@H](CON=C1c2ccccc2-c2ccccc21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000019891790 569331806 /nfs/dbraw/zinc/33/18/06/569331806.db2.gz HRPCDZZGTASGJD-NRFANRHFSA-N 0 1 447.966 4.273 50 30 IIEAMN COc1ccc(NC(=O)N2CC[C@@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)cc1 ZINC000096309982 569392425 /nfs/dbraw/zinc/39/24/25/569392425.db2.gz MYRIEQNYPLNNBB-VWLOTQADSA-N 0 1 442.523 4.203 50 30 biogenic IIEAMN COc1ccccc1CCC(=O)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096309802 569392470 /nfs/dbraw/zinc/39/24/70/569392470.db2.gz PTHWRUJACUKCGW-SANMLTNESA-N 0 1 447.583 4.263 50 30 biogenic IIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000008837823 569478217 /nfs/dbraw/zinc/47/82/17/569478217.db2.gz LPVYQBNMLKGFOM-QFIPXVFZSA-N 0 1 449.459 4.171 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009069844 569500088 /nfs/dbraw/zinc/50/00/88/569500088.db2.gz KVGGXZVGLQJFAS-QHCPKHFHSA-N 0 1 444.487 4.353 50 30 IIEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009069993 569500133 /nfs/dbraw/zinc/50/01/33/569500133.db2.gz IYILGSADTUQRPW-JBCNATCCSA-N 0 1 442.943 4.111 50 30 IIEAMN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)C(C#N)c1ccccn1 ZINC000009283004 569518806 /nfs/dbraw/zinc/51/88/06/569518806.db2.gz HTCDOZAECKEFBQ-MRXNPFEDSA-N 0 1 431.835 4.034 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009293115 569520164 /nfs/dbraw/zinc/52/01/64/569520164.db2.gz IZLYKMAGPIUOSQ-HXUWFJFHSA-N 0 1 445.387 4.286 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccncc3)ccc2O1 ZINC000009312731 569521951 /nfs/dbraw/zinc/52/19/51/569521951.db2.gz CZTOUKJMMVXJQF-WAIKUNEKSA-N 0 1 426.472 4.184 50 30 IIEAMN CCOC(=O)[C@H]1CCCN(CC(=O)N=C2Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)C1 ZINC000054105837 521298654 /nfs/dbraw/zinc/29/86/54/521298654.db2.gz LRMBMBPGFKLKDE-GBXCKJPGSA-N 0 1 446.551 4.189 50 30 IIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(F)cc1 ZINC000066091524 521705449 /nfs/dbraw/zinc/70/54/49/521705449.db2.gz LMBQTDNLVRYTOO-OAQYLSRUSA-N 0 1 427.472 4.229 50 30 IIEAMN COc1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)cc(OC)c1OC ZINC000020624498 521969830 /nfs/dbraw/zinc/96/98/30/521969830.db2.gz PRHVTGINQACFIQ-ANQVYJHKSA-N 0 1 439.508 4.266 50 30 biogenic IIEAMN N#CC(c1nc2ccccc2nc1NCc1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000032765202 526498541 /nfs/dbraw/zinc/49/85/41/526498541.db2.gz PPLDMXLLKPFVHX-IBGZPJMESA-N 0 1 438.509 4.481 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000000836371 555567030 /nfs/dbraw/zinc/56/70/30/555567030.db2.gz CASYEOORWWSNSQ-INIZCTEOSA-N 0 1 441.852 4.488 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)c(OC)c1 ZINC000001025576 555604410 /nfs/dbraw/zinc/60/44/10/555604410.db2.gz VURUVUREYKVBAJ-HSZRJFAPSA-N 0 1 429.472 4.482 50 30 IIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccs1 ZINC000008715456 556201796 /nfs/dbraw/zinc/20/17/96/556201796.db2.gz WNTLJTXVPRYBGN-WMLDXEAASA-N 0 1 448.338 4.268 50 30 IIEAMN CCOc1c(I)cc(C=NN=c2[nH]c3ccccc3[nH]2)cc1OC ZINC000008813848 556216642 /nfs/dbraw/zinc/21/66/42/556216642.db2.gz ULQSMBVZXBRLKR-VXLYETTFSA-N 0 1 436.253 4.021 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000008838194 556226380 /nfs/dbraw/zinc/22/63/80/556226380.db2.gz OIMBVRRGQOVULS-GOSISDBHSA-N 0 1 439.468 4.167 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000008915073 556232164 /nfs/dbraw/zinc/23/21/64/556232164.db2.gz LSUWDECQBMXUOS-GOSISDBHSA-N 0 1 439.811 4.328 50 30 IIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009044458 556242832 /nfs/dbraw/zinc/24/28/32/556242832.db2.gz UOYIHTXVTOSCIE-HSZRJFAPSA-N 0 1 444.487 4.186 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009069209 556245048 /nfs/dbraw/zinc/24/50/48/556245048.db2.gz FHNUVNFNUKYBIZ-INIZCTEOSA-N 0 1 441.852 4.488 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000009243267 556266643 /nfs/dbraw/zinc/26/66/43/556266643.db2.gz YDSQAXXPYYMIQC-HXPMCKFVSA-N 0 1 436.464 4.389 50 30 IIEAMN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1cc(C)n(C(C)C)c1C ZINC000032777094 556327892 /nfs/dbraw/zinc/32/78/92/556327892.db2.gz ITCATPGJLUFZBU-UHFFFAOYSA-N 0 1 429.634 4.467 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000016805652 556643723 /nfs/dbraw/zinc/64/37/23/556643723.db2.gz BILDBOVVIPSSAQ-LJQANCHMSA-N 0 1 433.863 4.103 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 ZINC000017057309 556654743 /nfs/dbraw/zinc/65/47/43/556654743.db2.gz BAXWEHCWRAGRJS-JOCHJYFZSA-N 0 1 432.451 4.398 50 30 IIEAMN COc1ccc(Cl)cc1NC(=N)Nc1nc(CSc2ccc(C)cc2)cc(=O)[nH]1 ZINC000018213550 556687199 /nfs/dbraw/zinc/68/71/99/556687199.db2.gz KLDJDIDUNRBVGW-UHFFFAOYSA-N 0 1 429.933 4.091 50 30 aggregator IIEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2nnc(C)s2)[C@H]1c1ccccc1 ZINC000013723765 556719030 /nfs/dbraw/zinc/71/90/30/556719030.db2.gz VKNHJUSFTAYGKK-KRWDZBQOSA-N 0 1 441.896 4.291 50 30 IIEAMN COc1cc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000019682327 556841877 /nfs/dbraw/zinc/84/18/77/556841877.db2.gz PWBFJEQCGAJBMN-VEILYXNESA-N 0 1 443.547 4.434 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000019885548 556938527 /nfs/dbraw/zinc/93/85/27/556938527.db2.gz NCIIIJQQKGLWHB-IBGZPJMESA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000019885548 556938530 /nfs/dbraw/zinc/93/85/30/556938530.db2.gz NCIIIJQQKGLWHB-IBGZPJMESA-N 0 1 449.334 4.142 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020437072 557016937 /nfs/dbraw/zinc/01/69/37/557016937.db2.gz AOEGLPXKSGRLJQ-HSZRJFAPSA-N 0 1 436.552 4.170 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020437072 557016939 /nfs/dbraw/zinc/01/69/39/557016939.db2.gz AOEGLPXKSGRLJQ-HSZRJFAPSA-N 0 1 436.552 4.170 50 30 IIEAMN C=CCn1c(C)cc(-c2csc(NC(=O)c3ccccc3NS(C)(=O)=O)n2)c1C ZINC000024716029 557126013 /nfs/dbraw/zinc/12/60/13/557126013.db2.gz ZLBRIZHOLKBSEW-UHFFFAOYSA-N 0 1 430.555 4.038 50 30 IIEAMN N#Cc1c(=O)[nH]c(SCC(=O)c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000024754779 557133814 /nfs/dbraw/zinc/13/38/14/557133814.db2.gz COYWBBJFRRJLDP-UHFFFAOYSA-N 0 1 426.295 4.458 50 30 IIEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000000703363 557138359 /nfs/dbraw/zinc/13/83/59/557138359.db2.gz YJXWZRIIIURRIR-JOCHJYFZSA-N 0 1 432.451 4.398 50 30 IIEAMN COc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1OC ZINC000018209288 557251957 /nfs/dbraw/zinc/25/19/57/557251957.db2.gz LUBDRLIYPQFDCJ-YJCKXXIQSA-N 0 1 438.336 4.175 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1 ZINC000102170181 557313988 /nfs/dbraw/zinc/31/39/88/557313988.db2.gz IVRBZZVWQYYYOV-AYWGPLOBSA-N 0 1 443.503 4.133 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000102369034 557318284 /nfs/dbraw/zinc/31/82/84/557318284.db2.gz WMSVBZPRGOITBR-ZHHPLPSFSA-N 0 1 445.519 4.182 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccnc2)cc1F ZINC000102377933 557321386 /nfs/dbraw/zinc/32/13/86/557321386.db2.gz TWGSKHGXFWUFJK-SELCWUDQSA-N 0 1 439.468 4.091 50 30 IIEAMN COC(=O)c1[nH]c2ccccc2c1C=NN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000102722019 557368934 /nfs/dbraw/zinc/36/89/34/557368934.db2.gz CBPVVWBHLOXDOA-QIHSMOAISA-N 0 1 431.477 4.160 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)ccc2O1 ZINC000102771214 557381666 /nfs/dbraw/zinc/38/16/66/557381666.db2.gz RQUDILXSBYUZPA-WZLGSTDNSA-N 0 1 440.499 4.069 50 30 IIEAMN CCOC(=O)c1cc(-c2cccs2)nc(SCC(O)=CC(=O)C(F)(F)F)c1C#N ZINC000102831812 557394345 /nfs/dbraw/zinc/39/43/45/557394345.db2.gz SYRGGRGDLPKRJM-UHFFFAOYSA-N 0 1 442.440 4.041 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccs1 ZINC000102868743 557404710 /nfs/dbraw/zinc/40/47/10/557404710.db2.gz IZRDHMCUVYXHNO-JBCNATCCSA-N 0 1 433.485 4.141 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102884176 557409027 /nfs/dbraw/zinc/40/90/27/557409027.db2.gz LGQXDVPOVHRLEG-SOIUSXPSSA-N 0 1 441.483 4.338 50 30 IIEAMN COc1ccc(NC2=C[C@@](C)(O)[C@@H](C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2C(C)=O)cc1 ZINC000008857520 562965244 /nfs/dbraw/zinc/96/52/44/562965244.db2.gz RFOIDJZODOFUNK-KKUQBAQOSA-N 0 1 436.552 4.160 50 30 IIEAMN C=CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC ZINC000003766084 568754288 /nfs/dbraw/zinc/75/42/88/568754288.db2.gz KZMRTYISCBKSQY-SFQUDFHCSA-N 0 1 446.575 4.258 50 30 IIEAMN COc1ccc(C)cc1N=Nc1c(N)[nH]n(-c2c(Cl)cc(Cl)cc2Cl)c1=O ZINC000252632452 569204867 /nfs/dbraw/zinc/20/48/67/569204867.db2.gz VTRXEFZDIBFVGG-UHFFFAOYSA-N 0 1 426.691 4.051 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020192832 569355800 /nfs/dbraw/zinc/35/58/00/569355800.db2.gz MVGSLSYIYWCWQZ-OAQYLSRUSA-N 0 1 440.927 4.045 50 30 IIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020229685 569356992 /nfs/dbraw/zinc/35/69/92/569356992.db2.gz JWMRQMJWTJHGIB-OAQYLSRUSA-N 0 1 442.943 4.269 50 30 IIEAMN Cc1noc(C)c1CN(C)CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000095456834 569368912 /nfs/dbraw/zinc/36/89/12/569368912.db2.gz RUJZHYZNBHEVCL-UHFFFAOYSA-N 0 1 434.515 4.353 50 30 IIEAMN CC(C)[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCCO2 ZINC000057323232 569431134 /nfs/dbraw/zinc/43/11/34/569431134.db2.gz YHNFVBCMBNDARA-JOCHJYFZSA-N 0 1 425.554 4.195 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(O)c2)cc1 ZINC000008837687 569478271 /nfs/dbraw/zinc/47/82/71/569478271.db2.gz KPTUADPDTGZBHL-HSZRJFAPSA-N 0 1 444.487 4.353 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008915088 569485527 /nfs/dbraw/zinc/48/55/27/569485527.db2.gz XFZHWTBZPWTJIA-QHCPKHFHSA-N 0 1 445.519 4.259 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000009234333 569513985 /nfs/dbraw/zinc/51/39/85/569513985.db2.gz CNFKKBZASJFWES-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(F)cc2)C1=O ZINC000009380302 569527870 /nfs/dbraw/zinc/52/78/70/569527870.db2.gz YECGFZALQKUVGV-VBFAIDSNSA-N 0 1 429.517 4.477 50 30 IIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000009424322 569533042 /nfs/dbraw/zinc/53/30/42/569533042.db2.gz BNJNHSZAMVAYDK-ONRUDAJHSA-N 0 1 441.553 4.347 50 30 IIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000009424323 569533066 /nfs/dbraw/zinc/53/30/66/569533066.db2.gz BNJNHSZAMVAYDK-HVAUEGPVSA-N 0 1 441.553 4.347 50 30 IIEAMN C#CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308563 518309063 /nfs/dbraw/zinc/30/90/63/518309063.db2.gz QOOYBFCTUGUQJT-HSZRJFAPSA-N 0 1 433.552 4.196 50 30 IIEAMN C=CCn1c(SC[C@@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)nnc1C1CCCCC1 ZINC000057647596 519235777 /nfs/dbraw/zinc/23/57/77/519235777.db2.gz LIENJNVDJPQXPW-UNMCSNQZSA-N 0 1 427.618 4.357 50 30 IIEAMN CC1CCN(c2nc3c(c(=O)[nH]2)CN(Cc2ccc(-c4ccc(C#N)cc4)o2)CC3)CC1 ZINC000020889523 521045610 /nfs/dbraw/zinc/04/56/10/521045610.db2.gz CTAJXHAYSQEIFW-UHFFFAOYSA-N 0 1 429.524 4.108 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009411368 521269473 /nfs/dbraw/zinc/26/94/73/521269473.db2.gz NEARUSQJPCYZHK-IBGZPJMESA-N 0 1 440.477 4.235 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000013451530 523277922 /nfs/dbraw/zinc/27/79/22/523277922.db2.gz PDRCSSJFHPAZHX-JOCHJYFZSA-N 0 1 439.508 4.103 50 30 IIEAMN COc1ccc(NC(C)=O)cc1N1C(=O)C(O)=C(C(=O)C2CC2)[C@H]1c1ccc(C)cc1C ZINC000058308595 524667621 /nfs/dbraw/zinc/66/76/21/524667621.db2.gz JSQLGMRNWGAMDY-JOCHJYFZSA-N 0 1 434.492 4.150 50 30 IIEAMN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CSc2nc(C(C)(C)C)n[nH]2)c1C#N ZINC000012259940 525685571 /nfs/dbraw/zinc/68/55/71/525685571.db2.gz BLNCOPVLDOUTRL-UHFFFAOYSA-N 0 1 440.548 4.310 50 30 IIEAMN N#CC(C(=O)NCc1ccc(OCc2cccnc2)cc1)c1nc2cc(F)ccc2s1 ZINC000095453885 526491848 /nfs/dbraw/zinc/49/18/48/526491848.db2.gz FRVXDWBRCRKDDA-IBGZPJMESA-N 0 1 432.480 4.333 50 30 IIEAMN O=C(C=CC1=N[C@@H]2C=CC=C[C@@H]2N1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000012562422 527593765 /nfs/dbraw/zinc/59/37/65/527593765.db2.gz ZPUVJZNDCUXXBJ-VOJLHISBSA-N 0 1 427.891 4.452 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1OC ZINC000001154554 555658088 /nfs/dbraw/zinc/65/80/88/555658088.db2.gz VAPUTWYEIUWWGL-JOCHJYFZSA-N 0 1 444.487 4.186 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000001167844 555665041 /nfs/dbraw/zinc/66/50/41/555665041.db2.gz NZMDUAJWULMCPB-QFIPXVFZSA-N 0 1 432.451 4.398 50 30 IIEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000001475982 555701470 /nfs/dbraw/zinc/70/14/70/555701470.db2.gz QVODIYLANFINKN-LPYMAVHISA-N 0 1 427.530 4.059 50 30 IIEAMN O=C(C=CNc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000002898576 555860661 /nfs/dbraw/zinc/86/06/61/555860661.db2.gz ZTCFFCBZVIGLSD-VAWYXSNFSA-N 0 1 429.479 4.266 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008738532 556205514 /nfs/dbraw/zinc/20/55/14/556205514.db2.gz AEURQCRTBBWPAS-JOCHJYFZSA-N 0 1 449.482 4.090 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000008740893 556206556 /nfs/dbraw/zinc/20/65/56/556206556.db2.gz NZJWDJPRFSARRF-JOCHJYFZSA-N 0 1 432.451 4.316 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009580928 556300368 /nfs/dbraw/zinc/30/03/68/556300368.db2.gz PMRXCKKLIORPCN-FQEVSTJZSA-N 0 1 429.900 4.354 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000013800107 556310162 /nfs/dbraw/zinc/31/01/62/556310162.db2.gz SXUHZWQXTNXLGU-LJQANCHMSA-N 0 1 433.335 4.442 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000013800107 556310168 /nfs/dbraw/zinc/31/01/68/556310168.db2.gz SXUHZWQXTNXLGU-LJQANCHMSA-N 0 1 433.335 4.442 50 30 IIEAMN N#CC(c1nc2ccccc2nc1NCc1cccs1)S(=O)(=O)c1ccc(F)cc1 ZINC000032765204 556332625 /nfs/dbraw/zinc/33/26/25/556332625.db2.gz PPLDMXLLKPFVHX-LJQANCHMSA-N 0 1 438.509 4.481 50 30 IIEAMN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@@H]3C[C@@H]12 ZINC000409414632 556640127 /nfs/dbraw/zinc/64/01/27/556640127.db2.gz YYNSVIHMXBJYSY-GPUWNAPISA-N 0 1 439.556 4.031 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccnc2)cc1F ZINC000013723383 556718983 /nfs/dbraw/zinc/71/89/83/556718983.db2.gz JSEXVEHJKISXTO-GOSISDBHSA-N 0 1 439.468 4.086 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000020230294 557001789 /nfs/dbraw/zinc/00/17/89/557001789.db2.gz XKSGIQXTUFNZBO-IBGZPJMESA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000020230294 557001790 /nfs/dbraw/zinc/00/17/90/557001790.db2.gz XKSGIQXTUFNZBO-IBGZPJMESA-N 0 1 449.334 4.142 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 ZINC000020281831 557005314 /nfs/dbraw/zinc/00/53/14/557005314.db2.gz UOEJXPRSGMYBJL-NRFANRHFSA-N 0 1 442.943 4.267 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)cc1 ZINC000020281831 557005318 /nfs/dbraw/zinc/00/53/18/557005318.db2.gz UOEJXPRSGMYBJL-NRFANRHFSA-N 0 1 442.943 4.267 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccccc2)no1 ZINC000101062660 557219350 /nfs/dbraw/zinc/21/93/50/557219350.db2.gz JNKBERDBXHZOHF-GHNGSUTGSA-N 0 1 439.265 4.372 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)o1 ZINC000101069857 557223349 /nfs/dbraw/zinc/22/33/49/557223349.db2.gz DEGVGPJTYHVGIM-HVESIFNPSA-N 0 1 443.253 4.273 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)o1 ZINC000101100224 557255256 /nfs/dbraw/zinc/25/52/56/557255256.db2.gz FSVGNJZWZCFOGW-HVESIFNPSA-N 0 1 443.253 4.273 50 30 IIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000102543370 557348480 /nfs/dbraw/zinc/34/84/80/557348480.db2.gz FWDHCXCPBMDSBE-MOBKVPTQSA-N 0 1 433.460 4.314 50 30 IIEAMN CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)s1 ZINC000102574961 557354708 /nfs/dbraw/zinc/35/47/08/557354708.db2.gz CYWIMIWWWFYQMN-DPEHCCBOSA-N 0 1 427.482 4.025 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)s1 ZINC000102574961 557354709 /nfs/dbraw/zinc/35/47/09/557354709.db2.gz CYWIMIWWWFYQMN-DPEHCCBOSA-N 0 1 427.482 4.025 50 30 IIEAMN CCSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(CC)cc2)s1 ZINC000102598855 557357596 /nfs/dbraw/zinc/35/75/96/557357596.db2.gz GKKAINGIFXYHHE-UYTDBDHRSA-N 0 1 441.534 4.432 50 30 IIEAMN CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102605654 557358098 /nfs/dbraw/zinc/35/80/98/557358098.db2.gz DWPKUPUSTVQJKD-JBCNATCCSA-N 0 1 432.432 4.372 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102701830 557365729 /nfs/dbraw/zinc/36/57/29/557365729.db2.gz ILMQAIQUFSBQTM-ZHHPLPSFSA-N 0 1 445.519 4.102 50 30 IIEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCc2ccccc2C1 ZINC000004909259 557403362 /nfs/dbraw/zinc/40/33/62/557403362.db2.gz ONVUMEWGUZNFTO-OAQYLSRUSA-N 0 1 425.536 4.249 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000102882401 557408429 /nfs/dbraw/zinc/40/84/29/557408429.db2.gz ZDIKQVVEULZIIQ-ZHHPLPSFSA-N 0 1 445.519 4.184 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102884181 557409003 /nfs/dbraw/zinc/40/90/03/557409003.db2.gz LGQXDVPOVHRLEG-YMMFOPJESA-N 0 1 441.483 4.338 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000104195313 557452768 /nfs/dbraw/zinc/45/27/68/557452768.db2.gz RDALEWICZBYWRB-LFVOPCPISA-N 0 1 433.335 4.285 50 30 IIEAMN C=CCc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1O ZINC000002982369 557651684 /nfs/dbraw/zinc/65/16/84/557651684.db2.gz ZRYJVQCQDPXOPP-BOPFTXTBSA-N 0 1 442.924 4.004 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000006407743 562946720 /nfs/dbraw/zinc/94/67/20/562946720.db2.gz CTBRCXNQCGEARW-GOSISDBHSA-N 0 1 437.477 4.096 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000019939339 568613167 /nfs/dbraw/zinc/61/31/67/568613167.db2.gz PHOAYKUXPTWHLT-JOCHJYFZSA-N 0 1 436.552 4.133 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000102886553 568621876 /nfs/dbraw/zinc/62/18/76/568621876.db2.gz MQDONNGRTVMOAT-NHFXJNLRSA-N 0 1 445.387 4.129 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984893 568623427 /nfs/dbraw/zinc/62/34/27/568623427.db2.gz KTMSJFQUEBKWQO-VQTJNVASSA-N 0 1 432.923 4.038 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(F)c2)cc1 ZINC000016730595 568792292 /nfs/dbraw/zinc/79/22/92/568792292.db2.gz VQAWSOUEHFPUON-NRFANRHFSA-N 0 1 425.456 4.005 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000016731200 568792549 /nfs/dbraw/zinc/79/25/49/568792549.db2.gz ZESIXULZFJAOKL-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN N#Cc1c(SC[C@@H](O)CN2CCSCC2)nc(-c2cccs2)cc1C(F)(F)F ZINC000016276255 568875064 /nfs/dbraw/zinc/87/50/64/568875064.db2.gz NAQXSOZREVBEGG-LBPRGKRZSA-N 0 1 445.557 4.202 50 30 IIEAMN COc1cc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1OC(C)=O ZINC000245253649 568913407 /nfs/dbraw/zinc/91/34/07/568913407.db2.gz KFXHIJXMFRDODQ-UHFFFAOYSA-N 0 1 441.531 4.342 50 30 IIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)nc1C ZINC000017180320 569175674 /nfs/dbraw/zinc/17/56/74/569175674.db2.gz VJFOVDJYXSKPNH-OAHLLOKOSA-N 0 1 440.502 4.083 50 30 IIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000002367522 569288502 /nfs/dbraw/zinc/28/85/02/569288502.db2.gz BNJNHSZAMVAYDK-VTCXCXIKSA-N 0 1 441.553 4.347 50 30 IIEAMN COc1cccc(CNC(=O)N2CCC[C@@]3(C2)Nc2cccnc2N=C3NC2CCCC2)c1 ZINC000096309836 569392395 /nfs/dbraw/zinc/39/23/95/569392395.db2.gz BUOGROCBUDLAPK-VWLOTQADSA-N 0 1 448.571 4.013 50 30 biogenic IIEAMN O=C(c1cc(F)ccc1F)N1CC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309968 569392502 /nfs/dbraw/zinc/39/25/02/569392502.db2.gz VCQPUJVDYWRKMO-DEOSSOPVSA-N 0 1 433.462 4.081 50 30 biogenic IIEAMN COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2N=C3NC2CCCC2)cc1F ZINC000096309779 569392525 /nfs/dbraw/zinc/39/25/25/569392525.db2.gz YCEHYFNLLAOJPB-XMMPIXPASA-N 0 1 437.519 4.083 50 30 biogenic IIEAMN COc1ccc(-c2nc(NCc3ccc(OCC(F)(F)F)cc3)[nH]c(=O)c2C#N)cc1 ZINC000040130050 569490265 /nfs/dbraw/zinc/49/02/65/569490265.db2.gz QOFLYDQDJLTINL-UHFFFAOYSA-N 0 1 430.386 4.283 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009009085 569496317 /nfs/dbraw/zinc/49/63/17/569496317.db2.gz ZHNUPOQXQZZYCB-NRFANRHFSA-N 0 1 442.943 4.267 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009009085 569496318 /nfs/dbraw/zinc/49/63/18/569496318.db2.gz ZHNUPOQXQZZYCB-NRFANRHFSA-N 0 1 442.943 4.267 50 30 IIEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000009176534 569509692 /nfs/dbraw/zinc/50/96/92/569509692.db2.gz AFLFPIGDTFTYJF-LJQANCHMSA-N 0 1 441.597 4.197 50 30 IIEAMN O=C([O-])c1cc[nH+]c(N2CCC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 ZINC000328598721 569587919 /nfs/dbraw/zinc/58/79/19/569587919.db2.gz NYNIFJJAMGNERH-GOSISDBHSA-N 0 1 443.503 4.492 50 30 IIEAMN O=C([O-])c1cc[nH+]c(N2CCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 ZINC000328598722 569587928 /nfs/dbraw/zinc/58/79/28/569587928.db2.gz NYNIFJJAMGNERH-SFHVURJKSA-N 0 1 443.503 4.492 50 30 IIEAMN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036308685 518303634 /nfs/dbraw/zinc/30/36/34/518303634.db2.gz AEJQSBSUTVAOMQ-DEOSSOPVSA-N 0 1 445.563 4.196 50 30 IIEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@H]12 ZINC000059410284 518660981 /nfs/dbraw/zinc/66/09/81/518660981.db2.gz YYNSVIHMXBJYSY-FYEJASGKSA-N 0 1 439.556 4.031 50 30 biogenic IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000008903502 520875168 /nfs/dbraw/zinc/87/51/68/520875168.db2.gz HRZUULKUYCEQSD-HXUWFJFHSA-N 0 1 446.906 4.018 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000008903502 520875178 /nfs/dbraw/zinc/87/51/78/520875178.db2.gz HRZUULKUYCEQSD-HXUWFJFHSA-N 0 1 446.906 4.018 50 30 IIEAMN CNC(=O)CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1 ZINC000021356252 524056053 /nfs/dbraw/zinc/05/60/53/524056053.db2.gz GZCDUNOVOLZQHI-VWLOTQADSA-N 0 1 431.536 4.356 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000009272024 524170732 /nfs/dbraw/zinc/17/07/32/524170732.db2.gz DKBSWNPLUYILGL-QUCCMNQESA-N 0 1 427.884 4.106 50 30 IIEAMN Cn1c2ccccc2s/c1=N/N=C/c1cc(Br)cc(Br)c1O ZINC000013283308 527118434 /nfs/dbraw/zinc/11/84/34/527118434.db2.gz NDCGPHQZVGGXIY-OSJOWCBESA-N 0 1 441.148 4.405 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000000702714 555543389 /nfs/dbraw/zinc/54/33/89/555543389.db2.gz BFBUYRHLWHHRIN-OAQYLSRUSA-N 0 1 437.423 4.214 50 30 IIEAMN Oc1c(Br)cc(Br)cc1/C=N/N1CCN(c2ccccc2)CC1 ZINC000002300960 555766578 /nfs/dbraw/zinc/76/65/78/555766578.db2.gz GAOUUJIDJLKUMS-UDWIEESQSA-N 0 1 439.151 4.073 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000009353155 556284429 /nfs/dbraw/zinc/28/44/29/556284429.db2.gz UZLJKSHYNQUJPG-HSZRJFAPSA-N 0 1 443.503 4.117 50 30 IIEAMN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000032765212 556332620 /nfs/dbraw/zinc/33/26/20/556332620.db2.gz WRUPKMHBDWBHDQ-WHSLLNHNSA-N 0 1 438.528 4.290 50 30 IIEAMN CCOc1ccc(N(CCC#N)C(=O)CN(C)C2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000072305182 556550195 /nfs/dbraw/zinc/55/01/95/556550195.db2.gz HCVJWVHWXSTPRR-UHFFFAOYSA-N 0 1 438.547 4.072 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(Cl)c2)cc1 ZINC000016734485 556632809 /nfs/dbraw/zinc/63/28/09/556632809.db2.gz LQFFHCAAJVDHGE-FQEVSTJZSA-N 0 1 427.884 4.130 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000016734346 556632897 /nfs/dbraw/zinc/63/28/97/556632897.db2.gz CWBZEMWPUXKXNJ-QHCPKHFHSA-N 0 1 449.503 4.041 50 30 IIEAMN CCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(CC)cc3)S2)cc1OC ZINC000005234035 556746415 /nfs/dbraw/zinc/74/64/15/556746415.db2.gz WDZLINMMUGXHHT-MNQDVBFDSA-N 0 1 425.554 4.211 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080994 557135510 /nfs/dbraw/zinc/13/55/10/557135510.db2.gz RLOQUAQNFXQCHG-NRFANRHFSA-N 0 1 442.943 4.187 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080994 557135513 /nfs/dbraw/zinc/13/55/13/557135513.db2.gz RLOQUAQNFXQCHG-NRFANRHFSA-N 0 1 442.943 4.187 50 30 IIEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(O)cc3)sc2c1 ZINC000000796043 557204673 /nfs/dbraw/zinc/20/46/73/557204673.db2.gz NLNNUNLSZWZAKH-LJQANCHMSA-N 0 1 448.456 4.386 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Br)cc2)no1 ZINC000101069990 557223694 /nfs/dbraw/zinc/22/36/94/557223694.db2.gz SVKXUIDJMQRSAQ-IBOXJLQUSA-N 0 1 445.294 4.433 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000026458991 557241678 /nfs/dbraw/zinc/24/16/78/557241678.db2.gz YPVPJNBPIKIVHB-NRFANRHFSA-N 0 1 437.423 4.214 50 30 IIEAMN COc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1OC ZINC000018209292 557251745 /nfs/dbraw/zinc/25/17/45/557251745.db2.gz LUBDRLIYPQFDCJ-CPHRPENTSA-N 0 1 438.336 4.175 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102701834 557365650 /nfs/dbraw/zinc/36/56/50/557365650.db2.gz ILMQAIQUFSBQTM-AYWGPLOBSA-N 0 1 445.519 4.102 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102708857 557367636 /nfs/dbraw/zinc/36/76/36/557367636.db2.gz GSUYKDKUADUWJA-LFVOPCPISA-N 0 1 435.867 4.155 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1Cl ZINC000102800691 557390643 /nfs/dbraw/zinc/39/06/43/557390643.db2.gz GHIMZBNLATZDCI-LFVOPCPISA-N 0 1 442.830 4.410 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102876063 557397417 /nfs/dbraw/zinc/39/74/17/557397417.db2.gz ZHGZNIJNZVXSPO-JBCNATCCSA-N 0 1 435.911 4.357 50 30 IIEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102860188 557399808 /nfs/dbraw/zinc/39/98/08/557399808.db2.gz VEWONAWRNABOEZ-IBOXJLQUSA-N 0 1 441.490 4.356 50 30 IIEAMN COc1ccc(NC2=C[C@](C)(O)[C@H](C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2C(C)=O)cc1 ZINC000001097819 562920528 /nfs/dbraw/zinc/92/05/28/562920528.db2.gz RFOIDJZODOFUNK-NXCFDTQHSA-N 0 1 436.552 4.160 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000015952315 563020420 /nfs/dbraw/zinc/02/04/20/563020420.db2.gz HSAILZBGXNCOLQ-IBGZPJMESA-N 0 1 435.867 4.312 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984676 568623639 /nfs/dbraw/zinc/62/36/39/568623639.db2.gz DDYDPIWQLVBIQF-FCHUYYIVSA-N 0 1 432.923 4.038 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001464714 568820212 /nfs/dbraw/zinc/82/02/12/568820212.db2.gz FRXYSNGMLUBHID-KRWDZBQOSA-N 0 1 441.896 4.291 50 30 IIEAMN COc1cc(OC)c(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1 ZINC000245312325 568914702 /nfs/dbraw/zinc/91/47/02/568914702.db2.gz UGJGOBPMAKVXOI-UHFFFAOYSA-N 0 1 443.547 4.434 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000169680040 568990590 /nfs/dbraw/zinc/99/05/90/568990590.db2.gz JMINTAAOYOSRBR-PKTZIBPZSA-N 0 1 428.960 4.207 50 30 IIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000020229898 569356932 /nfs/dbraw/zinc/35/69/32/569356932.db2.gz XLBMAYIYNSFAOX-JOCHJYFZSA-N 0 1 436.552 4.133 50 30 IIEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000020310076 569360108 /nfs/dbraw/zinc/36/01/08/569360108.db2.gz BDDQQLJMUSFKIZ-NRFANRHFSA-N 0 1 442.943 4.192 50 30 IIEAMN COc1ccc(NC(=O)N2CC[C@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)cc1 ZINC000096309981 569392491 /nfs/dbraw/zinc/39/24/91/569392491.db2.gz MYRIEQNYPLNNBB-RUZDIDTESA-N 0 1 442.523 4.203 50 30 biogenic IIEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC(C)C)cc1 ZINC000002481529 569404948 /nfs/dbraw/zinc/40/49/48/569404948.db2.gz DRTWMMHUKOCOOK-IBGZPJMESA-N 0 1 427.884 4.361 50 30 IIEAMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1C#N ZINC000008751526 569473492 /nfs/dbraw/zinc/47/34/92/569473492.db2.gz DVYFBRAZOAZKRH-UHFFFAOYSA-N 0 1 446.536 4.442 50 30 IIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008893814 569483616 /nfs/dbraw/zinc/48/36/16/569483616.db2.gz VPEFNZQGQDIFSV-OAQYLSRUSA-N 0 1 434.423 4.470 50 30 IIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Br)cc1 ZINC000009041243 569497614 /nfs/dbraw/zinc/49/76/14/569497614.db2.gz STGPBURKCWJWHD-YOEHRIQHSA-N 0 1 448.338 4.268 50 30 IIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1C[C@H]1CCCO1 ZINC000009041972 569497702 /nfs/dbraw/zinc/49/77/02/569497702.db2.gz OILZEDGUVUMCQU-OXQOHEQNSA-N 0 1 427.884 4.106 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000009066028 569499891 /nfs/dbraw/zinc/49/98/91/569499891.db2.gz PACLHLBECBVTHA-QHCPKHFHSA-N 0 1 445.519 4.341 50 30 IIEAMN CN(C)c1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000009087022 569500797 /nfs/dbraw/zinc/50/07/97/569500797.db2.gz FSGOTHOQRXWADP-FZJZADEZSA-N 0 1 434.537 4.232 50 30 IIEAMN C=CCN1C(=O)c2n[nH]c(-c3c(C)cc(C)cc3O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009184767 569509986 /nfs/dbraw/zinc/50/99/86/569509986.db2.gz WNBKTNMVIJMDJF-HSZRJFAPSA-N 0 1 449.507 4.156 50 30 IIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009186619 569510277 /nfs/dbraw/zinc/51/02/77/569510277.db2.gz DTAJRBTWTHEOAA-JBCNATCCSA-N 0 1 442.943 4.112 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009243460 569514929 /nfs/dbraw/zinc/51/49/29/569514929.db2.gz JVOBIYQCSUZGJT-HXPMCKFVSA-N 0 1 436.464 4.389 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccnc3)ccc2O1 ZINC000009312522 569521889 /nfs/dbraw/zinc/52/18/89/569521889.db2.gz GBCISDBAPNFHID-MWTRTKDXSA-N 0 1 426.472 4.184 50 30 IIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000009334471 569523163 /nfs/dbraw/zinc/52/31/63/569523163.db2.gz AIZCMCPTZFRTEN-QHCPKHFHSA-N 0 1 445.519 4.341 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 ZINC000009374751 569527171 /nfs/dbraw/zinc/52/71/71/569527171.db2.gz BJRIOQOUSUEXAG-QMHKHESXSA-N 0 1 435.520 4.358 50 30 biogenic IIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009412663 569531628 /nfs/dbraw/zinc/53/16/28/569531628.db2.gz HLUNKLHGKLCBHN-BXKMTCNYSA-N 0 1 448.563 4.273 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000009488177 569539840 /nfs/dbraw/zinc/53/98/40/569539840.db2.gz SKKGDZLMHCLNMV-CQSZACIVSA-N 0 1 445.547 4.113 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009969610 569576077 /nfs/dbraw/zinc/57/60/77/569576077.db2.gz LNDJZEASPYRSAV-JOCHJYFZSA-N 0 1 431.444 4.329 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146698 518993555 /nfs/dbraw/zinc/99/35/55/518993555.db2.gz ZBDMGJOULGVIKU-YADHBBJMSA-N 0 1 432.923 4.038 50 30 IIEAMN CCOc1ccc(CN2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000021539908 520975954 /nfs/dbraw/zinc/97/59/54/520975954.db2.gz DIAHFOLURJDFRM-UHFFFAOYSA-N 0 1 425.536 4.389 50 30 IIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)cc1 ZINC000078549871 521705458 /nfs/dbraw/zinc/70/54/58/521705458.db2.gz NEQZWUFQBIEFCX-HXUWFJFHSA-N 0 1 429.900 4.354 50 30 IIEAMN COc1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)cc(OC)c1OC ZINC000020624315 521969249 /nfs/dbraw/zinc/96/92/49/521969249.db2.gz UAOOACARZZJCKB-UWOKGBPVSA-N 0 1 439.508 4.409 50 30 biogenic IIEAMN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000020611173 522818052 /nfs/dbraw/zinc/81/80/52/522818052.db2.gz LDAULIJEXPLQTR-FCBDRWCKSA-N 0 1 439.508 4.266 50 30 biogenic IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009357201 523277277 /nfs/dbraw/zinc/27/72/77/523277277.db2.gz VCCJMTPYRURVLM-NRFANRHFSA-N 0 1 427.472 4.228 50 30 IIEAMN COc1ccc(/C(C)=N\N=C2/NC(=O)C(Cc3ccc(Br)cc3)S2)cc1 ZINC000012342844 523363602 /nfs/dbraw/zinc/36/36/02/523363602.db2.gz VZKPCRZFHFKWIM-MTEVNVADSA-N 0 1 432.343 4.012 50 30 IIEAMN CNC(=O)CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1 ZINC000021356259 524056338 /nfs/dbraw/zinc/05/63/38/524056338.db2.gz GZCDUNOVOLZQHI-RUZDIDTESA-N 0 1 431.536 4.356 50 30 IIEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2nc(C)c(C)s2)[C@H]1c1cccnc1 ZINC000013693148 524295546 /nfs/dbraw/zinc/29/55/46/524295546.db2.gz JRZVEBXCHSZWDD-SFHVURJKSA-N 0 1 439.468 4.086 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)o1 ZINC000013552677 526027495 /nfs/dbraw/zinc/02/74/95/526027495.db2.gz IBHAWDULCDXEBX-KRWDZBQOSA-N 0 1 443.253 4.430 50 30 IIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2cnc[nH]2)[C@@H]1c1ccc(Cl)cc1 ZINC000012429089 526268850 /nfs/dbraw/zinc/26/88/50/526268850.db2.gz DVWNIDAWYLVGOB-LJQANCHMSA-N 0 1 425.847 4.023 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000006445654 556088219 /nfs/dbraw/zinc/08/82/19/556088219.db2.gz NBSYUHWBMVOGQB-IBGZPJMESA-N 0 1 435.823 4.426 50 30 IIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccs1 ZINC000008715457 556201827 /nfs/dbraw/zinc/20/18/27/556201827.db2.gz WNTLJTXVPRYBGN-YOEHRIQHSA-N 0 1 448.338 4.268 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000008903497 556231375 /nfs/dbraw/zinc/23/13/75/556231375.db2.gz HRZUULKUYCEQSD-FQEVSTJZSA-N 0 1 446.906 4.018 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000008903497 556231377 /nfs/dbraw/zinc/23/13/77/556231377.db2.gz HRZUULKUYCEQSD-FQEVSTJZSA-N 0 1 446.906 4.018 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009009008 556240597 /nfs/dbraw/zinc/24/05/97/556240597.db2.gz AQVMWKKGZRDMBD-OAQYLSRUSA-N 0 1 429.432 4.077 50 30 IIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009044453 556242350 /nfs/dbraw/zinc/24/23/50/556242350.db2.gz UOYIHTXVTOSCIE-QHCPKHFHSA-N 0 1 444.487 4.186 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009046405 556242759 /nfs/dbraw/zinc/24/27/59/556242759.db2.gz FIEFWWDEICTJSX-GOSISDBHSA-N 0 1 439.468 4.167 50 30 IIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)ccc1OCC(C)C ZINC000009046442 556242879 /nfs/dbraw/zinc/24/28/79/556242879.db2.gz CPCFBYHIHBCTLN-QHCPKHFHSA-N 0 1 436.552 4.170 50 30 IIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)ccc1OCC(C)C ZINC000009046442 556242882 /nfs/dbraw/zinc/24/28/82/556242882.db2.gz CPCFBYHIHBCTLN-QHCPKHFHSA-N 0 1 436.552 4.170 50 30 IIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009123732 556248304 /nfs/dbraw/zinc/24/83/04/556248304.db2.gz ZJKLLHBMJQXJIW-HSZRJFAPSA-N 0 1 445.519 4.341 50 30 IIEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccc(Br)cc2)cc(OC)c1OC ZINC000009348422 556284040 /nfs/dbraw/zinc/28/40/40/556284040.db2.gz ZWLQITZKNUESPG-KEBDBYFISA-N 0 1 449.330 4.278 50 30 IIEAMN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000013810482 556311832 /nfs/dbraw/zinc/31/18/32/556311832.db2.gz QUYTVBSVFLQOHU-SVFBPWRDSA-N 0 1 427.552 4.078 50 30 IIEAMN CCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1OC ZINC000012042399 556391531 /nfs/dbraw/zinc/39/15/31/556391531.db2.gz JSCDEWFZHQKLJX-MNQDVBFDSA-N 0 1 441.553 4.047 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000016805654 556643662 /nfs/dbraw/zinc/64/36/62/556643662.db2.gz BILDBOVVIPSSAQ-IBGZPJMESA-N 0 1 433.863 4.103 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000013722986 556717430 /nfs/dbraw/zinc/71/74/30/556717430.db2.gz QSAGYMYQSZDDMU-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008837838 557124125 /nfs/dbraw/zinc/12/41/25/557124125.db2.gz WSCRJBWIGYJKLQ-HKUYNNGSSA-N 0 1 442.855 4.006 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008905026 557126452 /nfs/dbraw/zinc/12/64/52/557126452.db2.gz BRPRMOSTARAHRK-ICSRJNTNSA-N 0 1 427.884 4.106 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000024080650 557135495 /nfs/dbraw/zinc/13/54/95/557135495.db2.gz ADHCSPCOERLYDU-QHCPKHFHSA-N 0 1 436.552 4.232 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000024080650 557135499 /nfs/dbraw/zinc/13/54/99/557135499.db2.gz ADHCSPCOERLYDU-QHCPKHFHSA-N 0 1 436.552 4.232 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000096325045 557199525 /nfs/dbraw/zinc/19/95/25/557199525.db2.gz DFUPORPLPKZFNU-QHCPKHFHSA-N 0 1 429.520 4.477 50 30 IIEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000000796046 557204953 /nfs/dbraw/zinc/20/49/53/557204953.db2.gz MURDUXMGDDMWHV-IBGZPJMESA-N 0 1 448.456 4.386 50 30 IIEAMN O=C(c1ccco1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 ZINC000101069972 557223682 /nfs/dbraw/zinc/22/36/82/557223682.db2.gz FHEKPGDURRNAAJ-SELCWUDQSA-N 0 1 439.265 4.059 50 30 IIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)ccc1OCC(C)C ZINC000102175608 557314256 /nfs/dbraw/zinc/31/42/56/557314256.db2.gz COPGVQXULAJAAS-JBCNATCCSA-N 0 1 442.581 4.075 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nnc(C)s2)o1 ZINC000102368917 557318308 /nfs/dbraw/zinc/31/83/08/557318308.db2.gz OTCSSSVMBWYUBC-GHNGSUTGSA-N 0 1 439.493 4.161 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)s1 ZINC000102369258 557318677 /nfs/dbraw/zinc/31/86/77/557318677.db2.gz FRTBSMKUGIOQPN-GROYHEBESA-N 0 1 441.534 4.322 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F ZINC000102377931 557321347 /nfs/dbraw/zinc/32/13/47/557321347.db2.gz TWGSKHGXFWUFJK-GHNGSUTGSA-N 0 1 439.468 4.091 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 ZINC000102433496 557322586 /nfs/dbraw/zinc/32/25/86/557322586.db2.gz NPFCRNGDBAHRFA-ZHHPLPSFSA-N 0 1 437.536 4.488 50 30 IIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccc(OC)cc2)C1=O ZINC000033619591 557344145 /nfs/dbraw/zinc/34/41/45/557344145.db2.gz OUSRUVHNFBYOMD-UQTBGETHSA-N 0 1 441.553 4.347 50 30 IIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102735111 557372438 /nfs/dbraw/zinc/37/24/38/557372438.db2.gz DQSWCOQEVIDKDJ-GOBYDPEUSA-N 0 1 448.563 4.117 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccncc3)ccc2O1 ZINC000102770758 557381607 /nfs/dbraw/zinc/38/16/07/557381607.db2.gz DXTHZNUCQLEOKV-WZLGSTDNSA-N 0 1 440.499 4.069 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccncc3)ccc2O1 ZINC000102770766 557381780 /nfs/dbraw/zinc/38/17/80/557381780.db2.gz DXTHZNUCQLEOKV-GOBYDPEUSA-N 0 1 440.499 4.069 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1 ZINC000102875138 557396777 /nfs/dbraw/zinc/39/67/77/557396777.db2.gz RSRUQVSEKUETJZ-YDJIHCHBSA-N 0 1 439.874 4.188 50 30 IIEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102858197 557399148 /nfs/dbraw/zinc/39/91/48/557399148.db2.gz LSTIYOXTSWLBEL-JBCNATCCSA-N 0 1 442.943 4.112 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 ZINC000102887459 557405136 /nfs/dbraw/zinc/40/51/36/557405136.db2.gz WERSWSXYSIDSAT-AYWGPLOBSA-N 0 1 443.503 4.277 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102890946 557405312 /nfs/dbraw/zinc/40/53/12/557405312.db2.gz HMSFFTLRTBFXHC-WOOAAIBNSA-N 0 1 442.830 4.410 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102894153 557405981 /nfs/dbraw/zinc/40/59/81/557405981.db2.gz GXYUROXPNPKXHU-WOOAAIBNSA-N 0 1 440.477 4.078 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000102882337 557408495 /nfs/dbraw/zinc/40/84/95/557408495.db2.gz DALHPEHIOQKNMU-HOGKFDNTSA-N 0 1 433.460 4.227 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000104197887 557453063 /nfs/dbraw/zinc/45/30/63/557453063.db2.gz HVCYDIBZADLBHJ-NHFXJNLRSA-N 0 1 449.850 4.265 50 30 IIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000001421965 568793193 /nfs/dbraw/zinc/79/31/93/568793193.db2.gz DQFNPRSXDWXWKS-QHCPKHFHSA-N 0 1 427.456 4.236 50 30 IIEAMN COc1cccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)c1 ZINC000096309762 569392456 /nfs/dbraw/zinc/39/24/56/569392456.db2.gz VORJDTNGWAVCBQ-SANMLTNESA-N 0 1 441.535 4.201 50 30 biogenic IIEAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(CCC#N)c2ccc(F)cc2)n1 ZINC000002625298 569411599 /nfs/dbraw/zinc/41/15/99/569411599.db2.gz MCFLXIKBGJKFOG-UHFFFAOYSA-N 0 1 445.907 4.312 50 30 IIEAMN C=CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)c1 ZINC000008845144 569478703 /nfs/dbraw/zinc/47/87/03/569478703.db2.gz JSLLQTDLQPHBKL-VWLOTQADSA-N 0 1 438.487 4.488 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000009046357 569498324 /nfs/dbraw/zinc/49/83/24/569498324.db2.gz ZQJSMDCPIDLYJG-OAQYLSRUSA-N 0 1 442.943 4.187 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000009046357 569498325 /nfs/dbraw/zinc/49/83/25/569498325.db2.gz ZQJSMDCPIDLYJG-OAQYLSRUSA-N 0 1 442.943 4.187 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000009065649 569499673 /nfs/dbraw/zinc/49/96/73/569499673.db2.gz CCXHPSMEPBJUKA-QFIPXVFZSA-N 0 1 432.476 4.133 50 30 IIEAMN C=CCN1c2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc2OCC(C)(C)C1=O ZINC000009171286 569509368 /nfs/dbraw/zinc/50/93/68/569509368.db2.gz BXIKGKAPRHERJX-UHFFFAOYSA-N 0 1 444.553 4.050 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009357003 569525502 /nfs/dbraw/zinc/52/55/02/569525502.db2.gz OKRLEJBKTYBITO-JOCHJYFZSA-N 0 1 440.515 4.000 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000009424199 569533089 /nfs/dbraw/zinc/53/30/89/569533089.db2.gz OZSBEWGNHDZXPJ-HSZRJFAPSA-N 0 1 445.446 4.375 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)ccc2O1 ZINC000009470702 569538880 /nfs/dbraw/zinc/53/88/80/569538880.db2.gz MEIBXAOHPRSCOO-XDHUDOTRSA-N 0 1 440.499 4.226 50 30 IIEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@H]12 ZINC000059410282 518661656 /nfs/dbraw/zinc/66/16/56/518661656.db2.gz YYNSVIHMXBJYSY-LEKAPFLCSA-N 0 1 439.556 4.031 50 30 biogenic IIEAMN C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1O ZINC000022229460 519125702 /nfs/dbraw/zinc/12/57/02/519125702.db2.gz ZRYJVQCQDPXOPP-GZTJUZNOSA-N 0 1 442.924 4.004 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000085408593 520876323 /nfs/dbraw/zinc/87/63/23/520876323.db2.gz ZCYONLYGJGKDEO-JOCHJYFZSA-N 0 1 439.508 4.099 50 30 IIEAMN CCCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366939 521254969 /nfs/dbraw/zinc/25/49/69/521254969.db2.gz WQJSKPSPXDJVHT-HTIXJGPSSA-N 0 1 426.498 4.238 50 30 IIEAMN COc1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)cc(OC)c1OC ZINC000037857670 521952021 /nfs/dbraw/zinc/95/20/21/521952021.db2.gz UAOOACARZZJCKB-BBJIBYMTSA-N 0 1 439.508 4.409 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccncc2)cc1F ZINC000013693367 523570212 /nfs/dbraw/zinc/57/02/12/523570212.db2.gz TYXWZZTVHQUTTF-GOSISDBHSA-N 0 1 439.468 4.086 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)C(C)C)=C(O)C(=O)N2c2ccccc2OC)cc1OC(F)F ZINC000057878098 525382223 /nfs/dbraw/zinc/38/22/23/525382223.db2.gz OPLXJAOQYHCYIO-IBGZPJMESA-N 0 1 447.434 4.430 50 30 IIEAMN Clc1cccc(Cl)c1C=NN=c1nc(Nc2ccccc2)[nH]c(N2CCOCC2)n1 ZINC000015135048 526977725 /nfs/dbraw/zinc/97/77/25/526977725.db2.gz ZVGHVRWXKVLOGS-QRVIBDJDSA-N 0 1 444.326 4.205 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccs3)ccc2O1 ZINC000000703158 555543593 /nfs/dbraw/zinc/54/35/93/555543593.db2.gz BCKMJNNFKZTVJX-QKKBWIMNSA-N 0 1 432.501 4.245 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000836382 555567423 /nfs/dbraw/zinc/56/74/23/555567423.db2.gz BLRJJBWTXAIJPV-MRXNPFEDSA-N 0 1 441.852 4.488 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000001129477 555643678 /nfs/dbraw/zinc/64/36/78/555643678.db2.gz WNRSTYAAIMOVJC-LJQANCHMSA-N 0 1 447.472 4.384 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccncc2)cc1 ZINC000008440096 556176170 /nfs/dbraw/zinc/17/61/70/556176170.db2.gz DUBCDCZIAMDGSD-HSZRJFAPSA-N 0 1 428.488 4.301 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccc(Br)c1 ZINC000009272757 556271418 /nfs/dbraw/zinc/27/14/18/556271418.db2.gz RHVMTLXDXXUXSD-SFHVURJKSA-N 0 1 430.298 4.064 50 30 IIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009380544 556287242 /nfs/dbraw/zinc/28/72/42/556287242.db2.gz IMLOGXREFZNWHO-QFIPXVFZSA-N 0 1 428.444 4.416 50 30 IIEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009472370 556293522 /nfs/dbraw/zinc/29/35/22/556293522.db2.gz QMRFHSDRIWBWCB-OAQYLSRUSA-N 0 1 449.434 4.292 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)s1 ZINC000012062510 556395748 /nfs/dbraw/zinc/39/57/48/556395748.db2.gz VKDUYOSONXMVSX-QGHHPUGFSA-N 0 1 439.518 4.014 50 30 IIEAMN N#CC(c1nc2ccccc2nc1NCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000032828670 556412958 /nfs/dbraw/zinc/41/29/58/556412958.db2.gz NKHFIHDAQIRZTA-OAQYLSRUSA-N 0 1 432.480 4.420 50 30 IIEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2ccccc2)NCCc2c[nH]c3ccccc23)n1 ZINC000015985330 556571173 /nfs/dbraw/zinc/57/11/73/556571173.db2.gz FCLJZVCJBRTCSG-UHFFFAOYSA-N 0 1 427.512 4.407 50 30 aggregator IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 ZINC000016732242 556631694 /nfs/dbraw/zinc/63/16/94/556631694.db2.gz YFBMVJKYTPNDEX-HSZRJFAPSA-N 0 1 426.472 4.425 50 30 IIEAMN COc1c2c(cc3c1[C@@H](C/C(Cc1ccc(OC(C)C)cc1)=N/O)N(C)CC3)OCO2 ZINC000033933797 556742803 /nfs/dbraw/zinc/74/28/03/556742803.db2.gz GDGOCISBYQZCJR-VXCWRXKNSA-N 0 1 426.513 4.203 50 30 biogenic IIEAMN Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000020193004 556996693 /nfs/dbraw/zinc/99/66/93/556996693.db2.gz ZSIRVZCTJKWAMV-FQEVSTJZSA-N 0 1 447.560 4.258 50 30 IIEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3CN3CC[NH+](CC)CC3)C2=O)c2ccccc21 ZINC000022935496 557052591 /nfs/dbraw/zinc/05/25/91/557052591.db2.gz QOMLTJIHEBUZPN-BUVRLJJBSA-N 0 1 431.536 4.121 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008837839 557124058 /nfs/dbraw/zinc/12/40/58/557124058.db2.gz WSCRJBWIGYJKLQ-IEBWSBKVSA-N 0 1 442.855 4.006 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000024116245 557137623 /nfs/dbraw/zinc/13/76/23/557137623.db2.gz QBYHSEIRQGQYSA-QHCPKHFHSA-N 0 1 434.536 4.008 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1C ZINC000024116245 557137629 /nfs/dbraw/zinc/13/76/29/557137629.db2.gz QBYHSEIRQGQYSA-QHCPKHFHSA-N 0 1 434.536 4.008 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1F ZINC000026458974 557241496 /nfs/dbraw/zinc/24/14/96/557241496.db2.gz OSLWNDRDCGNUIH-FQEVSTJZSA-N 0 1 425.387 4.345 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000101288046 557268216 /nfs/dbraw/zinc/26/82/16/557268216.db2.gz YRCSFQGRQARWTH-MRJHHRETSA-N 0 1 434.423 4.313 50 30 IIEAMN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 ZINC000102368266 557318084 /nfs/dbraw/zinc/31/80/84/557318084.db2.gz YJPYTHLOLBTEHK-AYWGPLOBSA-N 0 1 443.503 4.194 50 30 IIEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102374302 557321449 /nfs/dbraw/zinc/32/14/49/557321449.db2.gz SXANMWUYHCPMFZ-AYWGPLOBSA-N 0 1 445.519 4.182 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102546825 557348914 /nfs/dbraw/zinc/34/89/14/557348914.db2.gz UEDLFYMNXOQNKC-GHZOWXKBSA-N 0 1 436.464 4.232 50 30 IIEAMN O=C(C=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2ccccc2c1 ZINC000102645584 557363678 /nfs/dbraw/zinc/36/36/78/557363678.db2.gz WXCHUKXETRROMH-QINSGFPZSA-N 0 1 430.489 4.239 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102797386 557388679 /nfs/dbraw/zinc/38/86/79/557388679.db2.gz IPCHJEZGCOSAQO-GROYHEBESA-N 0 1 425.897 4.435 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000102864845 557404042 /nfs/dbraw/zinc/40/40/42/557404042.db2.gz UKWIMKZBLSSSEI-JBCNATCCSA-N 0 1 442.943 4.030 50 30 IIEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102930232 557413988 /nfs/dbraw/zinc/41/39/88/557413988.db2.gz PUQNLMLZTOVREG-LFVOPCPISA-N 0 1 441.597 4.041 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000104160655 557452135 /nfs/dbraw/zinc/45/21/35/557452135.db2.gz NITVDNPEXGYTNS-HVESIFNPSA-N 0 1 426.881 4.431 50 30 IIEAMN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCN(CCc1ccccc1)C2 ZINC000019907676 563023227 /nfs/dbraw/zinc/02/32/27/563023227.db2.gz GJGIORQFSOWFRW-UHFFFAOYSA-N 0 1 446.601 4.347 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984887 568623618 /nfs/dbraw/zinc/62/36/18/568623618.db2.gz KTMSJFQUEBKWQO-WOJBJXKFSA-N 0 1 432.923 4.038 50 30 IIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000001421966 568793176 /nfs/dbraw/zinc/79/31/76/568793176.db2.gz DQFNPRSXDWXWKS-HSZRJFAPSA-N 0 1 427.456 4.236 50 30 IIEAMN C=CCOc1ccccc1CN1CCC(O)(Cc2cc(-c3cccc(OC)c3)no2)CC1 ZINC000011843409 568820792 /nfs/dbraw/zinc/82/07/92/568820792.db2.gz YJGQPSIXTHYZBX-UHFFFAOYSA-N 0 1 434.536 4.485 50 30 IIEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000017161272 569175189 /nfs/dbraw/zinc/17/51/89/569175189.db2.gz JBDLBXQDNHNLDM-IBGZPJMESA-N 0 1 427.570 4.023 50 30 IIEAMN C=C(C)COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1 ZINC000253395330 569264602 /nfs/dbraw/zinc/26/46/02/569264602.db2.gz AJWCJSBTONWXII-QGZVFWFLSA-N 0 1 434.444 4.406 50 30 biogenic IIEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020232379 569357141 /nfs/dbraw/zinc/35/71/41/569357141.db2.gz YMAIXPKUOCHOPA-NRFANRHFSA-N 0 1 442.943 4.269 50 30 IIEAMN O=C(c1cc(F)ccc1F)N1CC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309967 569392407 /nfs/dbraw/zinc/39/24/07/569392407.db2.gz VCQPUJVDYWRKMO-XMMPIXPASA-N 0 1 433.462 4.081 50 30 biogenic IIEAMN N#Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000226829183 569429591 /nfs/dbraw/zinc/42/95/91/569429591.db2.gz KYALBPLGYULVJR-BHDDXSALSA-N 0 1 429.863 4.263 50 30 IIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000008662345 569469898 /nfs/dbraw/zinc/46/98/98/569469898.db2.gz JZYDIGFMOMRZRH-VZDNWZCBSA-N 0 1 447.531 4.330 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008914432 569485420 /nfs/dbraw/zinc/48/54/20/569485420.db2.gz YDKPXTUMDUEGMT-LJQANCHMSA-N 0 1 435.867 4.312 50 30 IIEAMN C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1C(F)(F)F ZINC000009042071 569497652 /nfs/dbraw/zinc/49/76/52/569497652.db2.gz IWKUSQABNCKMAZ-GFCCVEGCSA-N 0 1 444.438 4.447 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000009312394 569521857 /nfs/dbraw/zinc/52/18/57/569521857.db2.gz SRCPAGJZQCPCSI-GYCJOSAFSA-N 0 1 441.483 4.494 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009374698 569527173 /nfs/dbraw/zinc/52/71/73/569527173.db2.gz PGSNFBLEMUBNHV-QHCPKHFHSA-N 0 1 442.471 4.131 50 30 IIEAMN O=C(c1ccco1)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Br)c1 ZINC000009763891 569566706 /nfs/dbraw/zinc/56/67/06/569566706.db2.gz YSIBOFZKLGBRLE-QGZVFWFLSA-N 0 1 425.238 4.220 50 30 IIEAMN C#CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308560 518298313 /nfs/dbraw/zinc/29/83/13/518298313.db2.gz QOOYBFCTUGUQJT-QHCPKHFHSA-N 0 1 433.552 4.196 50 30 IIEAMN C=CCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000009579819 518702545 /nfs/dbraw/zinc/70/25/45/518702545.db2.gz CDOWVIWSSWRVDY-QFIPXVFZSA-N 0 1 439.563 4.388 50 30 IIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)C2=O)c(OC)c1OC ZINC000020611347 523423212 /nfs/dbraw/zinc/42/32/12/523423212.db2.gz FOGOXDHCPJCCCE-OFNOZLENSA-N 0 1 439.508 4.266 50 30 biogenic IIEAMN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(c2nc(C)c(C)s2)[C@@H]1c1cccnc1 ZINC000013693147 524296786 /nfs/dbraw/zinc/29/67/86/524296786.db2.gz JRZVEBXCHSZWDD-GOSISDBHSA-N 0 1 439.468 4.086 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000000860878 555571908 /nfs/dbraw/zinc/57/19/08/555571908.db2.gz WYUUGIWVTSIHMZ-IBGZPJMESA-N 0 1 435.823 4.426 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000001108404 555629912 /nfs/dbraw/zinc/62/99/12/555629912.db2.gz IWVPXUKELYUBKX-NPMXOYFQSA-N 0 1 444.462 4.323 50 30 IIEAMN CCOC(=O)C(=NNc1ccccc1Br)C(=O)CSc1ccc(C)cc1 ZINC000002913337 555862331 /nfs/dbraw/zinc/86/23/31/555862331.db2.gz VJKYNRZPIGXZKU-PYCFMQQDSA-N 0 1 435.343 4.450 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccnc1)c1cccc(Br)c1 ZINC000006447020 556088450 /nfs/dbraw/zinc/08/84/50/556088450.db2.gz XQCUDFVUTLGBQC-SFHVURJKSA-N 0 1 436.265 4.022 50 30 IIEAMN COc1ccc(C=Nn2c(C(F)F)n[nH]c2=S)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000002793323 556144690 /nfs/dbraw/zinc/14/46/90/556144690.db2.gz JTENXNISLJMOBB-LSFURLLWSA-N 0 1 449.439 4.191 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000009045647 556242828 /nfs/dbraw/zinc/24/28/28/556242828.db2.gz YFQDVSQUQHVMFZ-HSZRJFAPSA-N 0 1 428.488 4.486 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 ZINC000009374369 556286655 /nfs/dbraw/zinc/28/66/55/556286655.db2.gz ITLRCGHUALCUIY-QHCPKHFHSA-N 0 1 443.503 4.290 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccs2)cc1C ZINC000009380425 556287235 /nfs/dbraw/zinc/28/72/35/556287235.db2.gz MNAUVGBVSHGTDW-FQEVSTJZSA-N 0 1 429.538 4.460 50 30 IIEAMN CCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1OC ZINC000012042401 556391502 /nfs/dbraw/zinc/39/15/02/556391502.db2.gz JSCDEWFZHQKLJX-SGSZHJQISA-N 0 1 441.553 4.047 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2cccs2)s1 ZINC000012062509 556395851 /nfs/dbraw/zinc/39/58/51/556395851.db2.gz VKDUYOSONXMVSX-DYZYQPBXSA-N 0 1 439.518 4.014 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016700789 556629760 /nfs/dbraw/zinc/62/97/60/556629760.db2.gz QCFYOGHHFDQLFM-FQEVSTJZSA-N 0 1 429.900 4.354 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 ZINC000016732429 556631973 /nfs/dbraw/zinc/63/19/73/556631973.db2.gz IGIGQNBCJLEKIC-GMAHTHKFSA-N 0 1 433.504 4.317 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000016737356 556633889 /nfs/dbraw/zinc/63/38/89/556633889.db2.gz HLINXSODRIZPKZ-QFIPXVFZSA-N 0 1 449.459 4.084 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000016741362 556635071 /nfs/dbraw/zinc/63/50/71/556635071.db2.gz KUBZBCWVKQKYCA-OAQYLSRUSA-N 0 1 434.448 4.232 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000016741363 556635084 /nfs/dbraw/zinc/63/50/84/556635084.db2.gz KUBZBCWVKQKYCA-NRFANRHFSA-N 0 1 434.448 4.232 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccn2)cc1F ZINC000013732460 556720886 /nfs/dbraw/zinc/72/08/86/556720886.db2.gz PBZPYLWCGXXFKM-SFHVURJKSA-N 0 1 439.468 4.086 50 30 IIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020233503 557002020 /nfs/dbraw/zinc/00/20/20/557002020.db2.gz AGQFLYNNDHTZPT-OAQYLSRUSA-N 0 1 440.927 4.045 50 30 IIEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000017783242 557122190 /nfs/dbraw/zinc/12/21/90/557122190.db2.gz HYWBBEZQDXLDHE-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 ZINC000008818411 557124234 /nfs/dbraw/zinc/12/42/34/557124234.db2.gz NHCXPSFSACOPRP-QHCPKHFHSA-N 0 1 443.503 4.351 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080991 557135590 /nfs/dbraw/zinc/13/55/90/557135590.db2.gz RLOQUAQNFXQCHG-OAQYLSRUSA-N 0 1 442.943 4.187 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000024080991 557135592 /nfs/dbraw/zinc/13/55/92/557135592.db2.gz RLOQUAQNFXQCHG-OAQYLSRUSA-N 0 1 442.943 4.187 50 30 IIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000018125827 557240599 /nfs/dbraw/zinc/24/05/99/557240599.db2.gz LBFUGDLQASROAT-CQSZACIVSA-N 0 1 437.087 4.078 50 30 IIEAMN COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000018196118 557247904 /nfs/dbraw/zinc/24/79/04/557247904.db2.gz XHSFICOAOKXBKY-OAQYLSRUSA-N 0 1 446.463 4.368 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)o1 ZINC000101100225 557255289 /nfs/dbraw/zinc/25/52/89/557255289.db2.gz FSVGNJZWZCFOGW-GROYHEBESA-N 0 1 443.253 4.273 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 ZINC000101288229 557268687 /nfs/dbraw/zinc/26/86/87/557268687.db2.gz VMUWWNDWSDNALK-MRJHHRETSA-N 0 1 432.501 4.330 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)s1 ZINC000102369261 557318818 /nfs/dbraw/zinc/31/88/18/557318818.db2.gz FRTBSMKUGIOQPN-HVESIFNPSA-N 0 1 441.534 4.322 50 30 IIEAMN CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2F)s1 ZINC000102589087 557356444 /nfs/dbraw/zinc/35/64/44/557356444.db2.gz NHZKILJKFXXBRG-IDTYTIONSA-N 0 1 445.497 4.317 50 30 IIEAMN CCc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102605661 557358111 /nfs/dbraw/zinc/35/81/11/557358111.db2.gz DWPKUPUSTVQJKD-MRJHHRETSA-N 0 1 432.432 4.372 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Cl)c1 ZINC000102646993 557360905 /nfs/dbraw/zinc/36/09/05/557360905.db2.gz WTQVXAHLQRWSPQ-ZFGYKHQWSA-N 0 1 441.911 4.122 50 30 IIEAMN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000102684704 557368591 /nfs/dbraw/zinc/36/85/91/557368591.db2.gz QUYTVBSVFLQOHU-ZVDOUQERSA-N 0 1 427.552 4.078 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102891271 557405774 /nfs/dbraw/zinc/40/57/74/557405774.db2.gz ZVCFLZNBJNQYCF-HOGKFDNTSA-N 0 1 441.499 4.319 50 30 IIEAMN CC(C)(C)NC1=Nc2ncccc2N[C@@]12CCCN(C(=O)c1cc(-c3cccs3)n[nH]1)C2 ZINC000096309861 557776862 /nfs/dbraw/zinc/77/68/62/557776862.db2.gz UKDZUEVVBSXRFJ-HSZRJFAPSA-N 0 1 449.584 4.243 50 30 biogenic IIEAMN COC(=O)c1ccc(NN=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000252596293 569193310 /nfs/dbraw/zinc/19/33/10/569193310.db2.gz CIARBOCLVHBYNO-UHFFFAOYSA-N 0 1 428.080 4.150 50 30 IIEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000020229900 569356942 /nfs/dbraw/zinc/35/69/42/569356942.db2.gz XLBMAYIYNSFAOX-QFIPXVFZSA-N 0 1 436.552 4.133 50 30 IIEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000020310080 569359986 /nfs/dbraw/zinc/35/99/86/569359986.db2.gz BDDQQLJMUSFKIZ-OAQYLSRUSA-N 0 1 442.943 4.192 50 30 IIEAMN COc1ccc(C)cc1NC(=O)N1CC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096310032 569392662 /nfs/dbraw/zinc/39/26/62/569392662.db2.gz ZMSNXQPMJHDMGV-DEOSSOPVSA-N 0 1 434.544 4.254 50 30 biogenic IIEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1C[C@@H]1CCCO1 ZINC000009041970 569497621 /nfs/dbraw/zinc/49/76/21/569497621.db2.gz OILZEDGUVUMCQU-JXFKEZNVSA-N 0 1 427.884 4.106 50 30 IIEAMN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 ZINC000009042029 569497675 /nfs/dbraw/zinc/49/76/75/569497675.db2.gz XUJQSMBGVCZIBI-UHFFFAOYSA-N 0 1 426.885 4.114 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009243459 569514977 /nfs/dbraw/zinc/51/49/77/569514977.db2.gz JVOBIYQCSUZGJT-CWTRNNRKSA-N 0 1 436.464 4.389 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009244217 569515009 /nfs/dbraw/zinc/51/50/09/569515009.db2.gz DJXMLLCVYPXUHY-JOCHJYFZSA-N 0 1 439.508 4.186 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009360399 569525749 /nfs/dbraw/zinc/52/57/49/569525749.db2.gz ODKLYCFVXOLMCH-AYWGPLOBSA-N 0 1 436.552 4.013 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009360399 569525750 /nfs/dbraw/zinc/52/57/50/569525750.db2.gz ODKLYCFVXOLMCH-AYWGPLOBSA-N 0 1 436.552 4.013 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(O)cc1 ZINC000009361285 569525848 /nfs/dbraw/zinc/52/58/48/569525848.db2.gz KALVOHRFXYLPKQ-QFIPXVFZSA-N 0 1 439.508 4.042 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SC)s2)c1 ZINC000009487299 569539711 /nfs/dbraw/zinc/53/97/11/569539711.db2.gz SJORETKPTUOGGN-AWEZNQCLSA-N 0 1 445.547 4.113 50 30 IIEAMN C=CCN1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O ZINC000013571734 518838581 /nfs/dbraw/zinc/83/85/81/518838581.db2.gz MXNYIUINATULPY-YBEGLDIGSA-N 0 1 426.856 4.416 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccnc2)cc1F ZINC000013690007 519778513 /nfs/dbraw/zinc/77/85/13/519778513.db2.gz JEPUSEOJFIXGIW-GOSISDBHSA-N 0 1 439.468 4.247 50 30 IIEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(OC)c(OC)cc1OC)O2 ZINC000020610826 520417696 /nfs/dbraw/zinc/41/76/96/520417696.db2.gz HARVLEMMZDHHDO-UUYOSTAYSA-N 0 1 427.497 4.266 50 30 biogenic IIEAMN COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000020503959 521937606 /nfs/dbraw/zinc/93/76/06/521937606.db2.gz YIQNZDSHGYTSMT-UCQKPKSFSA-N 0 1 429.472 4.427 50 30 IIEAMN COc1cc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000013595631 521986364 /nfs/dbraw/zinc/98/63/64/521986364.db2.gz OLLQWJFPNWKQIT-VFCFBJKWSA-N 0 1 445.563 4.454 50 30 IIEAMN CN(C)[C@@H](CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccnc1)c1cccs1 ZINC000020589282 522010148 /nfs/dbraw/zinc/01/01/48/522010148.db2.gz IGVJVLUENUGMHX-GHTZIAJQSA-N 0 1 433.533 4.024 50 30 IIEAMN COc1ccc(Br)cc1/C=N/N=C1\SC(C)C(=O)N1Cc1ccccc1 ZINC000013597974 523492246 /nfs/dbraw/zinc/49/22/46/523492246.db2.gz GPZUKTKRRWKKHB-CSMPYOBQSA-N 0 1 432.343 4.312 50 30 IIEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000035941553 524063573 /nfs/dbraw/zinc/06/35/73/524063573.db2.gz BRMWQJFCEFENML-BBTUJRGHSA-N 0 1 443.551 4.044 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000013692660 524170471 /nfs/dbraw/zinc/17/04/71/524170471.db2.gz SOZTYLMJSBZWGI-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN O=C(C#Cc1ccccc1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012835897 527663146 /nfs/dbraw/zinc/66/31/46/527663146.db2.gz BLIXUSAYRZJJAD-VWLOTQADSA-N 0 1 434.555 4.097 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1 ZINC000096101653 527672206 /nfs/dbraw/zinc/67/22/06/527672206.db2.gz LLWLYQJNTYUGNZ-FQEVSTJZSA-N 0 1 439.874 4.344 50 30 IIEAMN CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001478659 555701973 /nfs/dbraw/zinc/70/19/73/555701973.db2.gz XPRCPUYGTDCAPH-OEAKJJBVSA-N 0 1 441.557 4.362 50 30 IIEAMN COc1ccc(C=Nn2c(C(F)F)n[nH]c2=S)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000002793248 556144669 /nfs/dbraw/zinc/14/46/69/556144669.db2.gz JWWXTVKBCPBOIG-LSFURLLWSA-N 0 1 449.439 4.191 50 30 IIEAMN NC(=O)C1(N2CCCCC2)CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000008432776 556172170 /nfs/dbraw/zinc/17/21/70/556172170.db2.gz UIFKMBVZGGXPLK-UHFFFAOYSA-N 0 1 438.597 4.202 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)s1 ZINC000008740842 556206627 /nfs/dbraw/zinc/20/66/27/556206627.db2.gz XDSPXANAEQGCBJ-IBGZPJMESA-N 0 1 435.505 4.417 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000008836370 556226050 /nfs/dbraw/zinc/22/60/50/556226050.db2.gz ULWGUWGOWDXLJD-OAQYLSRUSA-N 0 1 432.501 4.486 50 30 IIEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2cccc(Br)c2)cc(OC)c1OC ZINC000009088649 556245785 /nfs/dbraw/zinc/24/57/85/556245785.db2.gz QTQPSLVDOCCHFM-KEBDBYFISA-N 0 1 449.330 4.278 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3F)ccc2O1 ZINC000009243268 556266721 /nfs/dbraw/zinc/26/67/21/556266721.db2.gz YDSQAXXPYYMIQC-BLVKFPJESA-N 0 1 436.464 4.389 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(O)cc2)cc1C ZINC000009272404 556271432 /nfs/dbraw/zinc/27/14/32/556271432.db2.gz PRCSEPZIYHKLSE-QFIPXVFZSA-N 0 1 439.508 4.104 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 ZINC000009360736 556285691 /nfs/dbraw/zinc/28/56/91/556285691.db2.gz GTNFXMMABDCVSA-HSZRJFAPSA-N 0 1 443.503 4.290 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000013801530 556310514 /nfs/dbraw/zinc/31/05/14/556310514.db2.gz MCMDLJITHOPZIG-XMMPIXPASA-N 0 1 448.563 4.029 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccnc1)c1ccc(Br)cc1 ZINC000009360023 556523251 /nfs/dbraw/zinc/52/32/51/556523251.db2.gz OVUCBICRNPPPMA-SFHVURJKSA-N 0 1 436.265 4.022 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000016733194 556632190 /nfs/dbraw/zinc/63/21/90/556632190.db2.gz BHNQTNACKWDNCD-HXUWFJFHSA-N 0 1 446.906 4.018 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccnc2)cc1F ZINC000013723386 556718995 /nfs/dbraw/zinc/71/89/95/556718995.db2.gz JSEXVEHJKISXTO-SFHVURJKSA-N 0 1 439.468 4.086 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080548 557135395 /nfs/dbraw/zinc/13/53/95/557135395.db2.gz JHMGWDFHFCGNCH-QHCPKHFHSA-N 0 1 436.552 4.232 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000024080548 557135396 /nfs/dbraw/zinc/13/53/96/557135396.db2.gz JHMGWDFHFCGNCH-QHCPKHFHSA-N 0 1 436.552 4.232 50 30 IIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000091323631 557141397 /nfs/dbraw/zinc/14/13/97/557141397.db2.gz GYIBKHZPQXQFPJ-FQEVSTJZSA-N 0 1 439.874 4.344 50 30 IIEAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)c(C#N)c1C ZINC000101141687 557262132 /nfs/dbraw/zinc/26/21/32/557262132.db2.gz UXHVGMQCRQBXJS-MHWRWJLKSA-N 0 1 428.901 4.477 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102515649 557350667 /nfs/dbraw/zinc/35/06/67/557350667.db2.gz WVDLFRVJTOFILW-JBCNATCCSA-N 0 1 435.911 4.357 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Cl)c1 ZINC000102520338 557352388 /nfs/dbraw/zinc/35/23/88/557352388.db2.gz WTQVXAHLQRWSPQ-YHSLPNTHSA-N 0 1 441.911 4.122 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102653211 557361658 /nfs/dbraw/zinc/36/16/58/557361658.db2.gz PADMGSHDVBSMCQ-QPAAHAPSSA-N 0 1 436.464 4.232 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3cccnc3)ccc2O1 ZINC000102735389 557372841 /nfs/dbraw/zinc/37/28/41/557372841.db2.gz OARTZQAHLGQFRQ-XTNNDJGYSA-N 0 1 426.472 4.027 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000102801717 557390991 /nfs/dbraw/zinc/39/09/91/557390991.db2.gz JHXGSQPXEZCNIZ-NXLSWJSLSA-N 0 1 443.499 4.368 50 30 IIEAMN COc1ccc(NC(=O)C(N=Nc2cccc(C(F)(F)F)c2)C(=O)C(F)(F)F)cc1 ZINC000100360735 557401080 /nfs/dbraw/zinc/40/10/80/557401080.db2.gz YUYAOMHOXMCEDC-MZJWZYIUSA-N 0 1 433.308 4.252 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000102860801 557401696 /nfs/dbraw/zinc/40/16/96/557401696.db2.gz XICTXOSVKOVTPD-WOOAAIBNSA-N 0 1 435.823 4.270 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102891269 557405842 /nfs/dbraw/zinc/40/58/42/557405842.db2.gz ZVCFLZNBJNQYCF-MOBKVPTQSA-N 0 1 441.499 4.319 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1 ZINC000102885829 557409426 /nfs/dbraw/zinc/40/94/26/557409426.db2.gz XAQMSBZBCBDDOU-NXLSWJSLSA-N 0 1 441.483 4.122 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000102886989 557409674 /nfs/dbraw/zinc/40/96/74/557409674.db2.gz INCXTEPWHSPUDU-AYWGPLOBSA-N 0 1 445.446 4.219 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(SC)cc2)s1 ZINC000008969364 562966317 /nfs/dbraw/zinc/96/63/17/562966317.db2.gz ZJNTWTZKDYBZBX-AWEZNQCLSA-N 0 1 445.547 4.358 50 30 IIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000006282957 568881824 /nfs/dbraw/zinc/88/18/24/568881824.db2.gz HKBLIKXAMONNNE-QFIPXVFZSA-N 0 1 449.459 4.084 50 30 IIEAMN CCCO[C@@]1(NS(=O)(=O)c2ccccc2)c2ccccc2C(=O)C(Cl)=C1Cl ZINC000003095689 569213174 /nfs/dbraw/zinc/21/31/74/569213174.db2.gz UFUHSNAGRHCRTA-IBGZPJMESA-N 0 1 426.321 4.130 50 30 IIEAMN COc1ccccc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309983 569392480 /nfs/dbraw/zinc/39/24/80/569392480.db2.gz HFIZLHDJVUGLTC-RUZDIDTESA-N 0 1 442.523 4.203 50 30 biogenic IIEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008817051 569476880 /nfs/dbraw/zinc/47/68/80/569476880.db2.gz RKDIBWHGAVQJQY-QHCPKHFHSA-N 0 1 445.519 4.339 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000009007664 569496235 /nfs/dbraw/zinc/49/62/35/569496235.db2.gz YKQNDNKUAAMJGG-QGZVFWFLSA-N 0 1 436.265 4.022 50 30 IIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009233605 569513858 /nfs/dbraw/zinc/51/38/58/569513858.db2.gz SHMLVLSZOLXHDI-JBCNATCCSA-N 0 1 426.944 4.447 50 30 IIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009233605 569513859 /nfs/dbraw/zinc/51/38/59/569513859.db2.gz SHMLVLSZOLXHDI-JBCNATCCSA-N 0 1 426.944 4.447 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1OC ZINC000009234329 569513999 /nfs/dbraw/zinc/51/39/99/569513999.db2.gz CNFKKBZASJFWES-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c(OC)c1 ZINC000009271634 569517857 /nfs/dbraw/zinc/51/78/57/569517857.db2.gz AWKLSSBKWNVEQY-JOCHJYFZSA-N 0 1 433.460 4.384 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccncc3)ccc2O1 ZINC000009312729 569521923 /nfs/dbraw/zinc/52/19/23/569521923.db2.gz CZTOUKJMMVXJQF-MWTRTKDXSA-N 0 1 426.472 4.184 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009359026 569525715 /nfs/dbraw/zinc/52/57/15/569525715.db2.gz DBDQCAIEDVZWHN-RCDICMHDSA-N 0 1 431.444 4.087 50 30 IIEAMN C#CCOC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316311 518307457 /nfs/dbraw/zinc/30/74/57/518307457.db2.gz HOQPHPVGIVURPH-HSZRJFAPSA-N 0 1 447.579 4.450 50 30 IIEAMN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036306464 518309912 /nfs/dbraw/zinc/30/99/12/518309912.db2.gz IXBIJXRQRXIAQS-HSZRJFAPSA-N 0 1 445.563 4.163 50 30 IIEAMN C=CCCC(=O)NCCCOc1cccc(CN2CCN(c3cccc(C)c3C)CC2)c1 ZINC000055168638 518694137 /nfs/dbraw/zinc/69/41/37/518694137.db2.gz CYECBNWQFCLDTH-UHFFFAOYSA-N 0 1 435.612 4.477 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(O)c2)cc1 ZINC000008837686 519778556 /nfs/dbraw/zinc/77/85/56/519778556.db2.gz KPTUADPDTGZBHL-QHCPKHFHSA-N 0 1 444.487 4.353 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102536555 520318056 /nfs/dbraw/zinc/31/80/56/520318056.db2.gz YICCKLGKGKFXAU-MRJHHRETSA-N 0 1 442.943 4.112 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000085408597 520875611 /nfs/dbraw/zinc/87/56/11/520875611.db2.gz ZCYONLYGJGKDEO-QFIPXVFZSA-N 0 1 439.508 4.099 50 30 IIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)C2=O)c(OC)c1OC ZINC000020611349 523420901 /nfs/dbraw/zinc/42/09/01/523420901.db2.gz FOGOXDHCPJCCCE-RANIVTSPSA-N 0 1 439.508 4.266 50 30 biogenic IIEAMN C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(F)cc2)C1 ZINC000036427631 525389615 /nfs/dbraw/zinc/38/96/15/525389615.db2.gz WRUPKMHBDWBHDQ-MRUHUIDDSA-N 0 1 438.528 4.290 50 30 IIEAMN COc1ccc([C@H]2[C@@H](C(=O)Nc3n[nH]c(CC(C)C)n3)c3ccccc3C(=O)N2C)cc1 ZINC000095475749 525432076 /nfs/dbraw/zinc/43/20/76/525432076.db2.gz XQJQLCZXTAINID-SFTDATJTSA-N 0 1 433.512 4.211 50 30 IIEAMN COc1ccc([C@H]2[C@@H](C(=O)Nc3nc(CC(C)C)n[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095475749 525432084 /nfs/dbraw/zinc/43/20/84/525432084.db2.gz XQJQLCZXTAINID-SFTDATJTSA-N 0 1 433.512 4.211 50 30 IIEAMN COc1ccc([C@H]2[C@H](C(=O)Nc3n[nH]c(CC(C)C)n3)c3ccccc3C(=O)N2C)cc1 ZINC000095475748 525435330 /nfs/dbraw/zinc/43/53/30/525435330.db2.gz XQJQLCZXTAINID-RTWAWAEBSA-N 0 1 433.512 4.211 50 30 IIEAMN COc1ccc([C@H]2[C@H](C(=O)Nc3nc(CC(C)C)n[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095475748 525435339 /nfs/dbraw/zinc/43/53/39/525435339.db2.gz XQJQLCZXTAINID-RTWAWAEBSA-N 0 1 433.512 4.211 50 30 IIEAMN COc1cccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)c1 ZINC000096309761 525800957 /nfs/dbraw/zinc/80/09/57/525800957.db2.gz VORJDTNGWAVCBQ-AREMUKBSSA-N 0 1 441.535 4.201 50 30 biogenic IIEAMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)C(C#N)c1nnc(-c2ccccc2)n1C ZINC000060043948 526298065 /nfs/dbraw/zinc/29/80/65/526298065.db2.gz MEPSFDAXVWYJLK-IBGZPJMESA-N 0 1 444.926 4.487 50 30 IIEAMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C ZINC000060043948 526298072 /nfs/dbraw/zinc/29/80/72/526298072.db2.gz MEPSFDAXVWYJLK-IBGZPJMESA-N 0 1 444.926 4.487 50 30 IIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccnc1 ZINC000000625874 555512552 /nfs/dbraw/zinc/51/25/52/555512552.db2.gz XFVFNGHWXMOUGE-SFHVURJKSA-N 0 1 439.265 4.216 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)c(OC)c1 ZINC000001025571 555604354 /nfs/dbraw/zinc/60/43/54/555604354.db2.gz VURUVUREYKVBAJ-QHCPKHFHSA-N 0 1 429.472 4.482 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000001108402 555629905 /nfs/dbraw/zinc/62/99/05/555629905.db2.gz IWVPXUKELYUBKX-WNSKOXEYSA-N 0 1 444.462 4.323 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nnc(C)s2)o1 ZINC000001153088 555657464 /nfs/dbraw/zinc/65/74/64/555657464.db2.gz WRLPWYRUTNQLDW-SFHVURJKSA-N 0 1 439.493 4.318 50 30 IIEAMN COc1ccc(-c2oc(/N=C/N3CCN(C)CC3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000001178820 555670855 /nfs/dbraw/zinc/67/08/55/555670855.db2.gz ASGWNDMWNHNAKA-WPWMEQJKSA-N 0 1 430.508 4.410 50 30 IIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)ccc1OC(C)C ZINC000006194396 556080061 /nfs/dbraw/zinc/08/00/61/556080061.db2.gz IPGNGOHJONDNGZ-HSZRJFAPSA-N 0 1 443.503 4.351 50 30 IIEAMN O=C(c1ccco1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 ZINC000008743817 556208068 /nfs/dbraw/zinc/20/80/68/556208068.db2.gz HLTJGUWDKMKLNV-SFHVURJKSA-N 0 1 439.265 4.216 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ncc([N+](=O)[O-])s2)cc1 ZINC000016700100 556629752 /nfs/dbraw/zinc/62/97/52/556629752.db2.gz RLJLNNGUDDSCCY-HNNXBMFYSA-N 0 1 427.463 4.204 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2OC)c(C)c1 ZINC000017122513 556668430 /nfs/dbraw/zinc/66/84/30/556668430.db2.gz PBOMRUUEXZWJON-QHCPKHFHSA-N 0 1 444.487 4.186 50 30 biogenic IIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccc2)nc1C ZINC000017160290 556670573 /nfs/dbraw/zinc/67/05/73/556670573.db2.gz DERGDDRHXTXPLC-MRXNPFEDSA-N 0 1 438.461 4.004 50 30 IIEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000008576346 556841922 /nfs/dbraw/zinc/84/19/22/556841922.db2.gz GVEQZWALRIJMGY-VAWYXSNFSA-N 0 1 442.928 4.356 50 30 IIEAMN COc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1OC ZINC000019808911 556918670 /nfs/dbraw/zinc/91/86/70/556918670.db2.gz GAUJCOLPOQBZTH-MTDXEUNCSA-N 0 1 443.547 4.434 50 30 IIEAMN CCOC(=O)c1sc(N)c(C#N)c1CSc1nc(C=Cc2ccc(F)cc2)n[nH]1 ZINC000098002993 557012497 /nfs/dbraw/zinc/01/24/97/557012497.db2.gz ZMGVQYQCDQNAQS-YVMONPNESA-N 0 1 429.502 4.099 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c(C)c1 ZINC000024080939 557135605 /nfs/dbraw/zinc/13/56/05/557135605.db2.gz NRAABGLUURWCSU-JOCHJYFZSA-N 0 1 440.515 4.063 50 30 IIEAMN N=C(Nc1ccc(Br)cc1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000100047710 557213298 /nfs/dbraw/zinc/21/32/98/557213298.db2.gz KEYVWVUFHCQWCC-CQSZACIVSA-N 0 1 438.734 4.114 50 30 IIEAMN CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)c1 ZINC000000801596 557219905 /nfs/dbraw/zinc/21/99/05/557219905.db2.gz PQIVRNKNQUHVSA-MRXNPFEDSA-N 0 1 427.507 4.090 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000101069860 557223435 /nfs/dbraw/zinc/22/34/35/557223435.db2.gz DEGVGPJTYHVGIM-GROYHEBESA-N 0 1 443.253 4.273 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102530259 557342283 /nfs/dbraw/zinc/34/22/83/557342283.db2.gz GOQSEFGMJBWLTD-LIBXPZIFSA-N 0 1 435.520 4.419 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102546816 557348983 /nfs/dbraw/zinc/34/89/83/557348983.db2.gz UEDLFYMNXOQNKC-QJGVGSKSSA-N 0 1 436.464 4.232 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102553764 557358429 /nfs/dbraw/zinc/35/84/29/557358429.db2.gz PADMGSHDVBSMCQ-GHZOWXKBSA-N 0 1 436.464 4.232 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102651366 557361569 /nfs/dbraw/zinc/36/15/69/557361569.db2.gz UEDLFYMNXOQNKC-QPAAHAPSSA-N 0 1 436.464 4.232 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102804417 557386385 /nfs/dbraw/zinc/38/63/85/557386385.db2.gz JQQHJYDIPRKXTM-YDJIHCHBSA-N 0 1 445.387 4.264 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)cc1 ZINC000102797413 557388713 /nfs/dbraw/zinc/38/87/13/557388713.db2.gz DZKMCVKXYJVOOL-MOBKVPTQSA-N 0 1 432.451 4.241 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000102860798 557401642 /nfs/dbraw/zinc/40/16/42/557401642.db2.gz XICTXOSVKOVTPD-LFVOPCPISA-N 0 1 435.823 4.270 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000102890944 557405382 /nfs/dbraw/zinc/40/53/82/557405382.db2.gz HMSFFTLRTBFXHC-LFVOPCPISA-N 0 1 442.830 4.410 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000102890638 557405538 /nfs/dbraw/zinc/40/55/38/557405538.db2.gz QFDVISLOPRBRRG-NHFXJNLRSA-N 0 1 445.387 4.129 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000104197883 557452920 /nfs/dbraw/zinc/45/29/20/557452920.db2.gz HVCYDIBZADLBHJ-YDJIHCHBSA-N 0 1 449.850 4.265 50 30 IIEAMN CC#CCN(Cc1ccco1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012304196 562981086 /nfs/dbraw/zinc/98/10/86/562981086.db2.gz IIFADTKBENDQTK-UHFFFAOYSA-N 0 1 443.547 4.384 50 30 IIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000016945873 563021132 /nfs/dbraw/zinc/02/11/32/563021132.db2.gz BRTVXPMSHMUDHY-QFIPXVFZSA-N 0 1 433.460 4.384 50 30 IIEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000004144339 568781955 /nfs/dbraw/zinc/78/19/55/568781955.db2.gz MLAQSFSNYZQTEL-QHCPKHFHSA-N 0 1 428.492 4.205 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1F ZINC000016729326 568792348 /nfs/dbraw/zinc/79/23/48/568792348.db2.gz MSOYSQGXDAKJIE-NRFANRHFSA-N 0 1 436.414 4.147 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000016731107 568792565 /nfs/dbraw/zinc/79/25/65/568792565.db2.gz UEIMWDUTYCZLEP-FQEVSTJZSA-N 0 1 436.395 4.414 50 30 IIEAMN N#Cc1c(SC[C@H](O)CN2CCSCC2)nc(-c2cccs2)cc1C(F)(F)F ZINC000016276251 568875242 /nfs/dbraw/zinc/87/52/42/568875242.db2.gz NAQXSOZREVBEGG-GFCCVEGCSA-N 0 1 445.557 4.202 50 30 IIEAMN CCOc1ccccc1-c1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000006573741 568931535 /nfs/dbraw/zinc/93/15/35/568931535.db2.gz NXRLNQFBUHWNBC-UHFFFAOYSA-N 0 1 439.566 4.413 50 30 IIEAMN Cc1ccc(N2C(=O)Cc3c2nc2[nH]c(C)nc4nc(N5CCCC5)c(C#N)c3c42)cc1C ZINC000003358708 569447771 /nfs/dbraw/zinc/44/77/71/569447771.db2.gz YKQQPPUJPXSOKA-UHFFFAOYSA-N 0 1 437.507 4.124 50 30 IIEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)cc1 ZINC000008845289 569478739 /nfs/dbraw/zinc/47/87/39/569478739.db2.gz BQQXWKBYMJRMFU-DEOSSOPVSA-N 0 1 433.508 4.319 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008920224 569486492 /nfs/dbraw/zinc/48/64/92/569486492.db2.gz CJXKPDKXVFPYDA-SBXHHDGASA-N 0 1 448.563 4.358 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009243463 569514995 /nfs/dbraw/zinc/51/49/95/569514995.db2.gz JVOBIYQCSUZGJT-BUXKBTBVSA-N 0 1 436.464 4.389 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009272023 569517865 /nfs/dbraw/zinc/51/78/65/569517865.db2.gz DKBSWNPLUYILGL-AZUAARDMSA-N 0 1 427.884 4.106 50 30 IIEAMN CCCC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)C1=O ZINC000009272216 569517890 /nfs/dbraw/zinc/51/78/90/569517890.db2.gz WQJSKPSPXDJVHT-OJIBODITSA-N 0 1 426.498 4.238 50 30 IIEAMN Oc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1cc(-c2ccccc2)[nH]n1 ZINC000009308782 569521537 /nfs/dbraw/zinc/52/15/37/569521537.db2.gz OKCHUFKCEKATOC-KEBDBYFISA-N 0 1 441.314 4.348 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 ZINC000009374748 569527208 /nfs/dbraw/zinc/52/72/08/569527208.db2.gz BJRIOQOUSUEXAG-WAIKUNEKSA-N 0 1 435.520 4.358 50 30 biogenic IIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009412650 569531586 /nfs/dbraw/zinc/53/15/86/569531586.db2.gz HLUNKLHGKLCBHN-OSPHWJPCSA-N 0 1 448.563 4.273 50 30 IIEAMN COc1ccc2nc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)[nH]c2c1 ZINC000009834321 569570567 /nfs/dbraw/zinc/57/05/67/569570567.db2.gz UWFJJUGTJZMYBE-UHFFFAOYSA-N 0 1 435.509 4.234 50 30 IIEAMN COc1cccc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)c1 ZINC000010036479 569577426 /nfs/dbraw/zinc/57/74/26/569577426.db2.gz WIRGHRGSXYATQV-UHFFFAOYSA-N 0 1 438.597 4.048 50 30 IIEAMN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000036306461 518299626 /nfs/dbraw/zinc/29/96/26/518299626.db2.gz IXBIJXRQRXIAQS-QHCPKHFHSA-N 0 1 445.563 4.163 50 30 IIEAMN C#Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000055244239 518358120 /nfs/dbraw/zinc/35/81/20/518358120.db2.gz SHDWQOUBDMDTDX-HSZRJFAPSA-N 0 1 441.497 4.114 50 30 IIEAMN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1c(C)n[nH]c1C ZINC000013573465 518830086 /nfs/dbraw/zinc/83/00/86/518830086.db2.gz NEXJAIHNTHTMGR-KAXIZBKFSA-N 0 1 427.555 4.195 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308220 518986984 /nfs/dbraw/zinc/98/69/84/518986984.db2.gz VIWBFXZZAABGEH-QFIPXVFZSA-N 0 1 433.552 4.407 50 30 IIEAMN CC(C)C[C@H](C)N1CCN(C(Nc2ccc(C(=O)[O-])cc2)=[NH+]CCc2ccccc2)CC1 ZINC000021046975 519312250 /nfs/dbraw/zinc/31/22/50/519312250.db2.gz LTJSGCVOSBEOTE-NRFANRHFSA-N 0 1 436.600 4.257 50 30 IIEAMN CN(C)[C@@H](CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccncc1)c1cccs1 ZINC000020573466 522007442 /nfs/dbraw/zinc/00/74/42/522007442.db2.gz IIIJOUVCTJMMOQ-RXVVDRJESA-N 0 1 433.533 4.024 50 30 IIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)C2=O)c(OC)c1OC ZINC000020610591 523423171 /nfs/dbraw/zinc/42/31/71/523423171.db2.gz MSEOPMLEOSBVGK-MNAFEPAFSA-N 0 1 439.508 4.409 50 30 biogenic IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009359023 525518408 /nfs/dbraw/zinc/51/84/08/525518408.db2.gz DBDQCAIEDVZWHN-JLCFBVMHSA-N 0 1 431.444 4.087 50 30 IIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(O)cc2)c1 ZINC000000702434 555543303 /nfs/dbraw/zinc/54/33/03/555543303.db2.gz XTLUCMJDLVMQAY-HSZRJFAPSA-N 0 1 429.472 4.222 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000001108403 555629829 /nfs/dbraw/zinc/62/98/29/555629829.db2.gz IWVPXUKELYUBKX-CMJOXMDJSA-N 0 1 444.462 4.323 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000001108405 555629839 /nfs/dbraw/zinc/62/98/39/555629839.db2.gz IWVPXUKELYUBKX-IQMFZBJNSA-N 0 1 444.462 4.323 50 30 IIEAMN Oc1c(Br)cc(Br)cc1/C=N/NC(=S)NC1CCCCC1 ZINC000004229654 555977697 /nfs/dbraw/zinc/97/76/97/555977697.db2.gz DWXLOECRWYIJGS-CAOOACKPSA-N 0 1 435.185 4.048 50 30 IIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)ccc1OC(C)C ZINC000006194364 556079946 /nfs/dbraw/zinc/07/99/46/556079946.db2.gz XEKZZNYKWXMWMX-QHCPKHFHSA-N 0 1 443.503 4.351 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCOC)c1 ZINC000008384162 556159979 /nfs/dbraw/zinc/15/99/79/556159979.db2.gz COMDFXGKMAHJFM-NRFANRHFSA-N 0 1 425.456 4.005 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000008468664 556186161 /nfs/dbraw/zinc/18/61/61/556186161.db2.gz DUXNIBRYSJUSTG-LJQANCHMSA-N 0 1 444.325 4.372 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 ZINC000008738339 556205117 /nfs/dbraw/zinc/20/51/17/556205117.db2.gz SIQGSJBSHNMKJV-JOCHJYFZSA-N 0 1 429.476 4.042 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000008926853 556234436 /nfs/dbraw/zinc/23/44/36/556234436.db2.gz DPJRTLNYKUIDCZ-QFIPXVFZSA-N 0 1 439.508 4.017 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009312267 556280510 /nfs/dbraw/zinc/28/05/10/556280510.db2.gz FSOWOUILGXIBKV-IBGZPJMESA-N 0 1 435.823 4.426 50 30 IIEAMN O=C(C=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000015856351 556557686 /nfs/dbraw/zinc/55/76/86/556557686.db2.gz YYWXPSKNXWFWGG-FLIBITNWSA-N 0 1 449.319 4.393 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 ZINC000016733185 556632178 /nfs/dbraw/zinc/63/21/78/556632178.db2.gz BZIGDSLGKFUHQL-IRLDBZIGSA-N 0 1 437.467 4.148 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000017161206 556670843 /nfs/dbraw/zinc/67/08/43/556670843.db2.gz REFPODWMXNKSCE-JOCHJYFZSA-N 0 1 432.451 4.316 50 30 IIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019884168 556937847 /nfs/dbraw/zinc/93/78/47/556937847.db2.gz CFRFEQZUOXZHKJ-SFHVURJKSA-N 0 1 437.298 4.272 50 30 IIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)nc1C ZINC000017180318 557034490 /nfs/dbraw/zinc/03/44/90/557034490.db2.gz VJFOVDJYXSKPNH-HNNXBMFYSA-N 0 1 440.502 4.083 50 30 IIEAMN N#CCCCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)CC1 ZINC000023322713 557083741 /nfs/dbraw/zinc/08/37/41/557083741.db2.gz IPNWSHXCDJZLIE-UHFFFAOYSA-N 0 1 433.943 4.459 50 30 IIEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000024192954 557140086 /nfs/dbraw/zinc/14/00/86/557140086.db2.gz JOZHGKFMJGNWSE-HSZRJFAPSA-N 0 1 448.519 4.362 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)s1 ZINC000102571950 557354783 /nfs/dbraw/zinc/35/47/83/557354783.db2.gz BNYDDHDAMPBOKR-DPEHCCBOSA-N 0 1 427.507 4.096 50 30 IIEAMN O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1 ZINC000102596549 557357490 /nfs/dbraw/zinc/35/74/90/557357490.db2.gz UBRRAIPZGQASDO-WOOAAIBNSA-N 0 1 438.823 4.463 50 30 IIEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000102736607 557370038 /nfs/dbraw/zinc/37/00/38/557370038.db2.gz SAIPPKVHLZVTRL-SELCWUDQSA-N 0 1 439.924 4.430 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Cl)cc1 ZINC000102731546 557371493 /nfs/dbraw/zinc/37/14/93/557371493.db2.gz BRKGPWYMPFRAMF-YDJIHCHBSA-N 0 1 429.900 4.115 50 30 IIEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102800872 557390481 /nfs/dbraw/zinc/39/04/81/557390481.db2.gz NMFPJEMVLARMBX-JBCNATCCSA-N 0 1 448.406 4.369 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102856805 557398498 /nfs/dbraw/zinc/39/84/98/557398498.db2.gz YDIRQFHECVUFTQ-IBOXJLQUSA-N 0 1 441.852 4.331 50 30 IIEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)cc1 ZINC000100344517 557400554 /nfs/dbraw/zinc/40/05/54/557400554.db2.gz DOVUJCRIZRJTSX-JBCNATCCSA-N 0 1 448.406 4.369 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000019939342 568613321 /nfs/dbraw/zinc/61/33/21/568613321.db2.gz PHOAYKUXPTWHLT-QFIPXVFZSA-N 0 1 436.552 4.133 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104985266 568623574 /nfs/dbraw/zinc/62/35/74/568623574.db2.gz ZBDMGJOULGVIKU-FGZHOGPDSA-N 0 1 432.923 4.038 50 30 IIEAMN O=C(c1ccco1)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Br)c1 ZINC000003224777 568743208 /nfs/dbraw/zinc/74/32/08/568743208.db2.gz YSIBOFZKLGBRLE-KRWDZBQOSA-N 0 1 425.238 4.220 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)cc1F ZINC000016731487 568792555 /nfs/dbraw/zinc/79/25/55/568792555.db2.gz MLELJQYFYLTFJC-QHCPKHFHSA-N 0 1 445.494 4.374 50 30 IIEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000016731197 568792561 /nfs/dbraw/zinc/79/25/61/568792561.db2.gz ZESIXULZFJAOKL-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN CCCCCCCCCCn1c(NN=Cc2ccccc2O)nc2c1c(=O)[nH]c(=O)n2C ZINC000253532415 569284042 /nfs/dbraw/zinc/28/40/42/569284042.db2.gz MWLRRQAQRWUVIV-UHFFFAOYSA-N 0 1 440.548 4.128 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020192827 569355811 /nfs/dbraw/zinc/35/58/11/569355811.db2.gz MVGSLSYIYWCWQZ-NRFANRHFSA-N 0 1 440.927 4.045 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000020233799 569357230 /nfs/dbraw/zinc/35/72/30/569357230.db2.gz AXKNQVFKAKIBET-LJQANCHMSA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000020233799 569357232 /nfs/dbraw/zinc/35/72/32/569357232.db2.gz AXKNQVFKAKIBET-LJQANCHMSA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000020233804 569357280 /nfs/dbraw/zinc/35/72/80/569357280.db2.gz AXKNQVFKAKIBET-IBGZPJMESA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000020233804 569357281 /nfs/dbraw/zinc/35/72/81/569357281.db2.gz AXKNQVFKAKIBET-IBGZPJMESA-N 0 1 449.334 4.142 50 30 IIEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(C)cc2[O-])[C@@H]1c1ccccc1 ZINC000020309981 569359865 /nfs/dbraw/zinc/35/98/65/569359865.db2.gz ZXJHELPUJLKMRN-QHCPKHFHSA-N 0 1 436.552 4.319 50 30 IIEAMN COc1ccc(C)cc1NC(=O)N1CC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096310031 569392558 /nfs/dbraw/zinc/39/25/58/569392558.db2.gz ZMSNXQPMJHDMGV-XMMPIXPASA-N 0 1 434.544 4.254 50 30 biogenic IIEAMN CCN(C(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)c1cccc(C)c1 ZINC000031773912 569457348 /nfs/dbraw/zinc/45/73/48/569457348.db2.gz CLYFWVOMSPMZSL-UHFFFAOYSA-N 0 1 438.940 4.416 50 30 IIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000008893815 569483621 /nfs/dbraw/zinc/48/36/21/569483621.db2.gz VPEFNZQGQDIFSV-NRFANRHFSA-N 0 1 434.423 4.470 50 30 IIEAMN CCOc1cc2c(cc1CNc1nc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]1)O[C@H](C)C2 ZINC000040130011 569490199 /nfs/dbraw/zinc/49/01/99/569490199.db2.gz ZAGOHLPQQZQJIG-CQSZACIVSA-N 0 1 432.480 4.064 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000009066034 569499860 /nfs/dbraw/zinc/49/98/60/569499860.db2.gz PACLHLBECBVTHA-HSZRJFAPSA-N 0 1 445.519 4.341 50 30 IIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009350114 569524791 /nfs/dbraw/zinc/52/47/91/569524791.db2.gz HLUNKLHGKLCBHN-XDHUDOTRSA-N 0 1 448.563 4.273 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000009763872 569566696 /nfs/dbraw/zinc/56/66/96/569566696.db2.gz BOVOSWFKSVKQMJ-IBGZPJMESA-N 0 1 435.823 4.426 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146658 518994051 /nfs/dbraw/zinc/99/40/51/518994051.db2.gz IJKRKHYEFVUPIY-UXHICEINSA-N 0 1 432.923 4.038 50 30 IIEAMN C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000013940270 519124408 /nfs/dbraw/zinc/12/44/08/519124408.db2.gz TVDDFEAUFJSQFG-CAOOACKPSA-N 0 1 433.291 4.490 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009007801 520328609 /nfs/dbraw/zinc/32/86/09/520328609.db2.gz SIPFLOFQLOVFNV-NRFANRHFSA-N 0 1 442.943 4.269 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009007801 520328618 /nfs/dbraw/zinc/32/86/18/520328618.db2.gz SIPFLOFQLOVFNV-NRFANRHFSA-N 0 1 442.943 4.269 50 30 IIEAMN CN(C)[C@H](CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1 ZINC000020589279 522068234 /nfs/dbraw/zinc/06/82/34/522068234.db2.gz IGVJVLUENUGMHX-NQIIRXRSSA-N 0 1 433.533 4.024 50 30 IIEAMN COc1ccccc1C=C(C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1)c1ccccc1 ZINC000012689231 524312831 /nfs/dbraw/zinc/31/28/31/524312831.db2.gz QDCMJRIHCXJLPX-RQRMZWKBSA-N 0 1 432.501 4.420 50 30 IIEAMN COc1ccccc1C=C(C(=O)OCC(=O)C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000012689231 524312838 /nfs/dbraw/zinc/31/28/38/524312838.db2.gz QDCMJRIHCXJLPX-RQRMZWKBSA-N 0 1 432.501 4.420 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009009007 526024649 /nfs/dbraw/zinc/02/46/49/526024649.db2.gz AQVMWKKGZRDMBD-NRFANRHFSA-N 0 1 429.432 4.077 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000013552678 526028798 /nfs/dbraw/zinc/02/87/98/526028798.db2.gz IBHAWDULCDXEBX-QGZVFWFLSA-N 0 1 443.253 4.430 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2ccc(O)cc2)o1 ZINC000000799376 555559024 /nfs/dbraw/zinc/55/90/24/555559024.db2.gz LWHCFIGCJRCNEK-INIZCTEOSA-N 0 1 425.466 4.051 50 30 IIEAMN COc1cc([C@@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000008438568 556174559 /nfs/dbraw/zinc/17/45/59/556174559.db2.gz NKOQGSBHIYYSRF-BDTMADQZSA-N 0 1 431.444 4.172 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000008468640 556186251 /nfs/dbraw/zinc/18/62/51/556186251.db2.gz DUXNIBRYSJUSTG-IBGZPJMESA-N 0 1 444.325 4.372 50 30 IIEAMN O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccs1 ZINC000008715458 556201810 /nfs/dbraw/zinc/20/18/10/556201810.db2.gz WNTLJTXVPRYBGN-RHSMWYFYSA-N 0 1 448.338 4.268 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000008739797 556205806 /nfs/dbraw/zinc/20/58/06/556205806.db2.gz RQOHRCQABMKTTE-HSZRJFAPSA-N 0 1 444.487 4.267 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(O)cc2)cc1C ZINC000009272403 556271406 /nfs/dbraw/zinc/27/14/06/556271406.db2.gz PRCSEPZIYHKLSE-JOCHJYFZSA-N 0 1 439.508 4.104 50 30 IIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2cccc(OC(C)C)c2)c(OC)c1OC ZINC000009358759 556285460 /nfs/dbraw/zinc/28/54/60/556285460.db2.gz PUFBEDJLAJKIHA-WSDLNYQXSA-N 0 1 428.514 4.303 50 30 IIEAMN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C2=CC(=O)CC(C)(C)O2)CC1 ZINC000011842327 556365809 /nfs/dbraw/zinc/36/58/09/556365809.db2.gz VWVKFMXJJPHLDE-UHFFFAOYSA-N 0 1 442.600 4.044 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C)cc2)cc1 ZINC000016732435 556631852 /nfs/dbraw/zinc/63/18/52/556631852.db2.gz IGIGQNBCJLEKIC-GGAORHGYSA-N 0 1 433.504 4.317 50 30 IIEAMN COc1c2c(cc3c1[C@H](C/C(Cc1ccc(OC(C)C)cc1)=N/O)N(C)CC3)OCO2 ZINC000033933798 556743146 /nfs/dbraw/zinc/74/31/46/556743146.db2.gz GDGOCISBYQZCJR-HBTCSRNFSA-N 0 1 426.513 4.203 50 30 biogenic IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020193035 556996894 /nfs/dbraw/zinc/99/68/94/556996894.db2.gz HOOXIYLSMVJTOX-HSZRJFAPSA-N 0 1 446.503 4.138 50 30 IIEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000000703362 557138303 /nfs/dbraw/zinc/13/83/03/557138303.db2.gz YJXWZRIIIURRIR-QFIPXVFZSA-N 0 1 432.451 4.398 50 30 IIEAMN COc1ccc(S(=O)(=O)N=C2CC(=Nc3ccccc3OC)C(=O)c3ccccc32)cc1 ZINC000100822431 557188207 /nfs/dbraw/zinc/18/82/07/557188207.db2.gz MPYKIZWLSFLHOT-QLYXXIJNSA-N 0 1 448.500 4.074 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nnc(C)s2)o1 ZINC000102368913 557318280 /nfs/dbraw/zinc/31/82/80/557318280.db2.gz OTCSSSVMBWYUBC-SELCWUDQSA-N 0 1 439.493 4.161 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102504952 557339599 /nfs/dbraw/zinc/33/95/99/557339599.db2.gz XVMZZNUQYBOAST-HOGKFDNTSA-N 0 1 437.536 4.451 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000102731544 557371533 /nfs/dbraw/zinc/37/15/33/557371533.db2.gz BRKGPWYMPFRAMF-NHFXJNLRSA-N 0 1 429.900 4.115 50 30 IIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102881110 557407777 /nfs/dbraw/zinc/40/77/77/557407777.db2.gz VSVRHJNOVNSADE-YDJIHCHBSA-N 0 1 439.874 4.188 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000104160651 557452248 /nfs/dbraw/zinc/45/22/48/557452248.db2.gz NITVDNPEXGYTNS-GROYHEBESA-N 0 1 426.881 4.431 50 30 IIEAMN COc1ccc(/C=C/C(=O)c2ccccc2)cc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263585132 568758916 /nfs/dbraw/zinc/75/89/16/568758916.db2.gz FLXGHFQBYWTLAK-KPVVVLSSSA-N 0 1 440.543 4.372 50 30 biogenic IIEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000004144337 568781968 /nfs/dbraw/zinc/78/19/68/568781968.db2.gz MLAQSFSNYZQTEL-HSZRJFAPSA-N 0 1 428.492 4.205 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016731184 568792540 /nfs/dbraw/zinc/79/25/40/568792540.db2.gz ZLGGLOQXORIUNU-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000016731104 568792583 /nfs/dbraw/zinc/79/25/83/568792583.db2.gz UEIMWDUTYCZLEP-HXUWFJFHSA-N 0 1 436.395 4.414 50 30 IIEAMN C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)C1 ZINC000239402594 568911366 /nfs/dbraw/zinc/91/13/66/568911366.db2.gz QUYTVBSVFLQOHU-SBHAEUEKSA-N 0 1 427.552 4.078 50 30 IIEAMN N#Cc1c2c(c(N3CCN(CCOc4ccccc4)CC3)n3c4ccccc4nc13)CCC2 ZINC000019808326 569329794 /nfs/dbraw/zinc/32/97/94/569329794.db2.gz NOVLHBNIAUZFTM-UHFFFAOYSA-N 0 1 437.547 4.049 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008914431 569485438 /nfs/dbraw/zinc/48/54/38/569485438.db2.gz YDKPXTUMDUEGMT-IBGZPJMESA-N 0 1 435.867 4.312 50 30 IIEAMN CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(SC)s2)c1 ZINC000009012619 569496579 /nfs/dbraw/zinc/49/65/79/569496579.db2.gz SSDRWJNQVQXXLK-HNNXBMFYSA-N 0 1 443.506 4.035 50 30 IIEAMN COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000009042061 569497672 /nfs/dbraw/zinc/49/76/72/569497672.db2.gz DPGUBPWMFUVNNT-LBPRGKRZSA-N 0 1 440.912 4.090 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009243461 569514984 /nfs/dbraw/zinc/51/49/84/569514984.db2.gz JVOBIYQCSUZGJT-BLVKFPJESA-N 0 1 436.464 4.389 50 30 IIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)ccc1O ZINC000009354496 569525042 /nfs/dbraw/zinc/52/50/42/569525042.db2.gz RJXOLUBLQRNADR-QGZVFWFLSA-N 0 1 442.880 4.294 50 30 IIEAMN CN(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009427663 569533403 /nfs/dbraw/zinc/53/34/03/569533403.db2.gz DPTMFBZPXHGXRE-OAQYLSRUSA-N 0 1 447.447 4.032 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009472425 569538981 /nfs/dbraw/zinc/53/89/81/569538981.db2.gz OHRDLJZIVIBLRC-JOCHJYFZSA-N 0 1 432.451 4.316 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009969611 569576117 /nfs/dbraw/zinc/57/61/17/569576117.db2.gz LNDJZEASPYRSAV-QFIPXVFZSA-N 0 1 431.444 4.329 50 30 IIEAMN C=CCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340744 518721056 /nfs/dbraw/zinc/72/10/56/518721056.db2.gz WKOULXSYSNQNEL-OAQYLSRUSA-N 0 1 429.008 4.041 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccccc2)cc1 ZINC000095099891 519020899 /nfs/dbraw/zinc/02/08/99/519020899.db2.gz LFXPLDZIRRNTBM-HSZRJFAPSA-N 0 1 443.503 4.117 50 30 IIEAMN CCOC(=O)[C@@H]1CCCN(CC(=O)N=C2Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)C1 ZINC000054105835 521114138 /nfs/dbraw/zinc/11/41/38/521114138.db2.gz LRMBMBPGFKLKDE-HYBUGGRVSA-N 0 1 446.551 4.189 50 30 IIEAMN CN(C)[C@@H](CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1cccnc1)c1cccs1 ZINC000020589276 522010321 /nfs/dbraw/zinc/01/03/21/522010321.db2.gz IGVJVLUENUGMHX-RXVVDRJESA-N 0 1 433.533 4.024 50 30 IIEAMN COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc([O-])c2C[N@H+]2CCC[C@H](C)C2)C1=O ZINC000020611175 522817931 /nfs/dbraw/zinc/81/79/31/522817931.db2.gz LDAULIJEXPLQTR-CEABSUDRSA-N 0 1 439.508 4.266 50 30 biogenic IIEAMN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1Cl ZINC000013638043 524912246 /nfs/dbraw/zinc/91/22/46/524912246.db2.gz YKDDWMMLDGHLCF-UHFFFAOYSA-N 0 1 433.946 4.269 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009007874 526269544 /nfs/dbraw/zinc/26/95/44/526269544.db2.gz HYSYWDKPQBGTFR-FQEVSTJZSA-N 0 1 449.850 4.422 50 30 IIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002501866 555784547 /nfs/dbraw/zinc/78/45/47/555784547.db2.gz PHRSQZZPVYWUJA-KRWDZBQOSA-N 0 1 439.518 4.256 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008740970 556206613 /nfs/dbraw/zinc/20/66/13/556206613.db2.gz SXUHZWQXTNXLGU-IBGZPJMESA-N 0 1 433.335 4.442 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008740970 556206615 /nfs/dbraw/zinc/20/66/15/556206615.db2.gz SXUHZWQXTNXLGU-IBGZPJMESA-N 0 1 433.335 4.442 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000008740892 556206636 /nfs/dbraw/zinc/20/66/36/556206636.db2.gz NZJWDJPRFSARRF-QFIPXVFZSA-N 0 1 432.451 4.316 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009007873 556240262 /nfs/dbraw/zinc/24/02/62/556240262.db2.gz HYSYWDKPQBGTFR-HXUWFJFHSA-N 0 1 449.850 4.422 50 30 IIEAMN Oc1c(Br)cc(Br)cc1CN=Nc1nncc(-c2ccccc2)n1 ZINC000015015561 556484843 /nfs/dbraw/zinc/48/48/43/556484843.db2.gz VUXVFCLDHKXPST-UFWORHAWSA-N 0 1 449.106 4.215 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 ZINC000016732410 556631574 /nfs/dbraw/zinc/63/15/74/556631574.db2.gz WPOPLVJMHBZLRU-UNMCSNQZSA-N 0 1 437.467 4.148 50 30 IIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019883227 556937550 /nfs/dbraw/zinc/93/75/50/556937550.db2.gz CZZFJKOYTNOHJN-MRXNPFEDSA-N 0 1 425.337 4.195 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020437076 557016897 /nfs/dbraw/zinc/01/68/97/557016897.db2.gz AOEGLPXKSGRLJQ-QHCPKHFHSA-N 0 1 436.552 4.170 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020437076 557016899 /nfs/dbraw/zinc/01/68/99/557016899.db2.gz AOEGLPXKSGRLJQ-QHCPKHFHSA-N 0 1 436.552 4.170 50 30 IIEAMN O=C([O-])c1cccc(NC(=[NH+]CCc2ccccc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000046022020 557021572 /nfs/dbraw/zinc/02/15/72/557021572.db2.gz BXUYJIBCJZELOK-UHFFFAOYSA-N 0 1 434.584 4.155 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C)cc2)cc1F ZINC000009472186 557147035 /nfs/dbraw/zinc/14/70/35/557147035.db2.gz ZZFGJJHNBXNWPQ-QFIPXVFZSA-N 0 1 432.451 4.316 50 30 IIEAMN C=CCSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C)cc2)s1 ZINC000101325221 557273661 /nfs/dbraw/zinc/27/36/61/557273661.db2.gz ANSSWJRJROQRKR-UYTDBDHRSA-N 0 1 439.518 4.344 50 30 IIEAMN O=C(C=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc2ccccc21 ZINC000101358680 557275525 /nfs/dbraw/zinc/27/55/25/557275525.db2.gz MHARIWOXVIMPST-DTQAZKPQSA-N 0 1 430.489 4.239 50 30 IIEAMN Cc1cccc2c3nnc(N=NCc4cc(Cl)cc(Br)c4O)nc3[nH]c21 ZINC000033154925 557327657 /nfs/dbraw/zinc/32/76/57/557327657.db2.gz OSXNRZXPAXDVCB-SCDVKCJHSA-N 0 1 431.681 4.382 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804172 557386435 /nfs/dbraw/zinc/38/64/35/557386435.db2.gz AJXDRFLUFAPINL-YDJIHCHBSA-N 0 1 445.387 4.264 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000009070057 562966844 /nfs/dbraw/zinc/96/68/44/562966844.db2.gz VQTFHEHEOGKKFT-QFIPXVFZSA-N 0 1 449.459 4.084 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)c(C)c1 ZINC000103886356 568622305 /nfs/dbraw/zinc/62/23/05/568622305.db2.gz MIZSLDAFENBFBP-ZHHPLPSFSA-N 0 1 444.487 4.029 50 30 IIEAMN COc1ccc(/C=C/C(=O)c2cccs2)cc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586933 568760046 /nfs/dbraw/zinc/76/00/46/568760046.db2.gz ZVFFNNSUFXLUOW-QOEWUMFVSA-N 0 1 446.572 4.434 50 30 biogenic IIEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000008662343 569469886 /nfs/dbraw/zinc/46/98/86/569469886.db2.gz JZYDIGFMOMRZRH-LYAKXMMSSA-N 0 1 447.531 4.330 50 30 IIEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2ccccc2Br)nc1-c1ccccc1 ZINC000009042038 569497689 /nfs/dbraw/zinc/49/76/89/569497689.db2.gz QYWJHIYMGLOMHB-UHFFFAOYSA-N 0 1 441.310 4.214 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000009046356 569498381 /nfs/dbraw/zinc/49/83/81/569498381.db2.gz ZQJSMDCPIDLYJG-NRFANRHFSA-N 0 1 442.943 4.187 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000009046356 569498382 /nfs/dbraw/zinc/49/83/82/569498382.db2.gz ZQJSMDCPIDLYJG-NRFANRHFSA-N 0 1 442.943 4.187 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009272981 569518034 /nfs/dbraw/zinc/51/80/34/569518034.db2.gz WNFAKGISLOPBLZ-FQEVSTJZSA-N 0 1 445.387 4.286 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000009373752 569527148 /nfs/dbraw/zinc/52/71/48/569527148.db2.gz NPOKDSCWESQCQD-JOCHJYFZSA-N 0 1 441.499 4.475 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000009456890 569536793 /nfs/dbraw/zinc/53/67/93/569536793.db2.gz AZRDGLFDFWPOEP-QHCPKHFHSA-N 0 1 427.456 4.236 50 30 IIEAMN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(SC)s2)c1 ZINC000009487296 569539721 /nfs/dbraw/zinc/53/97/21/569539721.db2.gz SJORETKPTUOGGN-CQSZACIVSA-N 0 1 445.547 4.113 50 30 IIEAMN N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1 ZINC000009763484 132328430 /nfs/dbraw/zinc/32/84/30/132328430.db2.gz UHCSEIFODNQFBO-LFIBNONCSA-N 0 1 433.876 4.303 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000095099892 519019744 /nfs/dbraw/zinc/01/97/44/519019744.db2.gz LFXPLDZIRRNTBM-QHCPKHFHSA-N 0 1 443.503 4.117 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000078547246 520874299 /nfs/dbraw/zinc/87/42/99/520874299.db2.gz WXXSVOJCMYDBIX-QFIPXVFZSA-N 0 1 439.508 4.184 50 30 IIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000066088898 521705204 /nfs/dbraw/zinc/70/52/04/521705204.db2.gz SXTLJHLSBBJBRS-HXUWFJFHSA-N 0 1 429.900 4.354 50 30 IIEAMN Cc1ccc(C[NH+]=C(Nc2ccc(C(=O)[O-])cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000021046675 524423929 /nfs/dbraw/zinc/42/39/29/524423929.db2.gz CRGPOCDXVSIJEE-UHFFFAOYSA-N 0 1 434.584 4.421 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(F)c1 ZINC000022146443 527672463 /nfs/dbraw/zinc/67/24/63/527672463.db2.gz GQHBVTNFFRXCFK-HXUWFJFHSA-N 0 1 439.874 4.344 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000000702761 555543655 /nfs/dbraw/zinc/54/36/55/555543655.db2.gz TUJOARYVVRFCBJ-FPOVZHCZSA-N 0 1 441.911 4.496 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)s1 ZINC000008739875 556205778 /nfs/dbraw/zinc/20/57/78/556205778.db2.gz FLMGEXGKFPHADW-QGZVFWFLSA-N 0 1 441.534 4.478 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000008836371 556225986 /nfs/dbraw/zinc/22/59/86/556225986.db2.gz ULWGUWGOWDXLJD-NRFANRHFSA-N 0 1 432.501 4.486 50 30 IIEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008988345 556238898 /nfs/dbraw/zinc/23/88/98/556238898.db2.gz RRJABYSDHKZHGE-QGZVFWFLSA-N 0 1 443.253 4.122 50 30 IIEAMN CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000009086896 556245511 /nfs/dbraw/zinc/24/55/11/556245511.db2.gz TWUHEIIWRXSORR-IBGZPJMESA-N 0 1 429.469 4.160 50 30 IIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009236448 556263753 /nfs/dbraw/zinc/26/37/53/556263753.db2.gz ZEFKGLOCUJHFKV-QHCPKHFHSA-N 0 1 443.503 4.117 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1 ZINC000009360732 556285853 /nfs/dbraw/zinc/28/58/53/556285853.db2.gz GTNFXMMABDCVSA-QHCPKHFHSA-N 0 1 443.503 4.290 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000009380313 556287067 /nfs/dbraw/zinc/28/70/67/556287067.db2.gz JLCDKIYWKZEKPV-JOCHJYFZSA-N 0 1 439.508 4.017 50 30 IIEAMN O=C(c1ccccc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009380543 556287184 /nfs/dbraw/zinc/28/71/84/556287184.db2.gz IMLOGXREFZNWHO-JOCHJYFZSA-N 0 1 428.444 4.416 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009580927 556300548 /nfs/dbraw/zinc/30/05/48/556300548.db2.gz PMRXCKKLIORPCN-HXUWFJFHSA-N 0 1 429.900 4.354 50 30 IIEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000016713811 556630727 /nfs/dbraw/zinc/63/07/27/556630727.db2.gz YVIYOZBCCMEWIK-QHCPKHFHSA-N 0 1 436.552 4.170 50 30 IIEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000016713811 556630730 /nfs/dbraw/zinc/63/07/30/556630730.db2.gz YVIYOZBCCMEWIK-QHCPKHFHSA-N 0 1 436.552 4.170 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000016733247 556632218 /nfs/dbraw/zinc/63/22/18/556632218.db2.gz OFALQHOFICFBCU-HXUWFJFHSA-N 0 1 447.890 4.493 50 30 IIEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)nc1C ZINC000017160285 556670582 /nfs/dbraw/zinc/67/05/82/556670582.db2.gz DERGDDRHXTXPLC-INIZCTEOSA-N 0 1 438.461 4.004 50 30 IIEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)ccc2F)cc1OC ZINC000017179713 556671728 /nfs/dbraw/zinc/67/17/28/556671728.db2.gz AODRPQIPEPHUHK-AWQFTUOYSA-N 0 1 437.294 4.409 50 30 IIEAMN COC(=O)c1c(/N=C/c2cc(Cl)cc(Br)c2O)sc2c1CCN(C)C2 ZINC000019995639 556957091 /nfs/dbraw/zinc/95/70/91/556957091.db2.gz GDJYUFXWOXJJRW-IFRROFPPSA-N 0 1 443.750 4.395 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008663460 557120918 /nfs/dbraw/zinc/12/09/18/557120918.db2.gz SZCYWZOUDYGDRY-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000008818412 557124184 /nfs/dbraw/zinc/12/41/84/557124184.db2.gz NHCXPSFSACOPRP-HSZRJFAPSA-N 0 1 443.503 4.351 50 30 IIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000018210552 557252141 /nfs/dbraw/zinc/25/21/41/557252141.db2.gz WFZJDTQWEQDHNX-XMMPIXPASA-N 0 1 448.563 4.111 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101313424 557272170 /nfs/dbraw/zinc/27/21/70/557272170.db2.gz FQWBYJNUMQTGMI-ZHHPLPSFSA-N 0 1 444.462 4.407 50 30 IIEAMN COc1ccc(S(=O)(=O)N=C2CC(=Nc3ccccc3C)C(=O)c3ccccc32)cc1 ZINC000100822279 557276990 /nfs/dbraw/zinc/27/69/90/557276990.db2.gz ZKEKXLVPIVIDIM-ROMGYVFFSA-N 0 1 432.501 4.374 50 30 IIEAMN CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 ZINC000102170189 557314060 /nfs/dbraw/zinc/31/40/60/557314060.db2.gz IVRBZZVWQYYYOV-ZHHPLPSFSA-N 0 1 443.503 4.133 50 30 IIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)ccc1OCC(C)C ZINC000102175521 557314292 /nfs/dbraw/zinc/31/42/92/557314292.db2.gz VZHKCYYMHGZVMQ-AYWGPLOBSA-N 0 1 436.552 4.013 50 30 IIEAMN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)ccc1OCC(C)C ZINC000102175521 557314294 /nfs/dbraw/zinc/31/42/94/557314294.db2.gz VZHKCYYMHGZVMQ-AYWGPLOBSA-N 0 1 436.552 4.013 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)s1 ZINC000102369066 557318709 /nfs/dbraw/zinc/31/87/09/557318709.db2.gz GRRMPWRNJGLDNI-LFVOPCPISA-N 0 1 435.505 4.260 50 30 IIEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102374298 557321362 /nfs/dbraw/zinc/32/13/62/557321362.db2.gz SXANMWUYHCPMFZ-ZHHPLPSFSA-N 0 1 445.519 4.182 50 30 IIEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1Cc1cccnc1 ZINC000102520441 557352415 /nfs/dbraw/zinc/35/24/15/557352415.db2.gz PEHNMEDRPBUEOI-MRJHHRETSA-N 0 1 434.879 4.366 50 30 IIEAMN Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102738738 557380174 /nfs/dbraw/zinc/38/01/74/557380174.db2.gz 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50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1F ZINC000016731490 568792587 /nfs/dbraw/zinc/79/25/87/568792587.db2.gz MLELJQYFYLTFJC-HSZRJFAPSA-N 0 1 445.494 4.374 50 30 IIEAMN CCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OCC ZINC000006059884 568820043 /nfs/dbraw/zinc/82/00/43/568820043.db2.gz JMNBPDNZGJDCGD-LFVJCYFKSA-N 0 1 425.510 4.430 50 30 IIEAMN C=CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000002076519 568834549 /nfs/dbraw/zinc/83/45/49/568834549.db2.gz OQLFWESPPKAYLW-SDNWHVSQSA-N 0 1 433.316 4.390 50 30 IIEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)nc1C ZINC000006144037 568845870 /nfs/dbraw/zinc/84/58/70/568845870.db2.gz NGRYVQOXIUMHCU-OAHLLOKOSA-N 0 1 440.502 4.083 50 30 IIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000104189865 568900810 /nfs/dbraw/zinc/90/08/10/568900810.db2.gz MXSIQKSHSGFSMP-IBOXJLQUSA-N 0 1 425.337 4.038 50 30 IIEAMN Cc1ccc(OCCN2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000053516991 568908552 /nfs/dbraw/zinc/90/85/52/568908552.db2.gz MEUWKPDPWHNWSS-UHFFFAOYSA-N 0 1 425.536 4.177 50 30 IIEAMN Clc1cccc(Cl)c1C=NN=c1nc(Nc2ccccc2)[nH]c(N2CCOCC2)n1 ZINC000252643520 569209500 /nfs/dbraw/zinc/20/95/00/569209500.db2.gz ZVGHVRWXKVLOGS-UHFFFAOYSA-N 0 1 444.326 4.205 50 30 IIEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020229619 569356971 /nfs/dbraw/zinc/35/69/71/569356971.db2.gz DHAARLKISXOOJR-NRFANRHFSA-N 0 1 442.943 4.267 50 30 IIEAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(CCC#N)c2ccccc2)n1 ZINC000002624635 569411533 /nfs/dbraw/zinc/41/15/33/569411533.db2.gz WBLQGHDLSJBEIX-UHFFFAOYSA-N 0 1 427.917 4.173 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 ZINC000009009001 569496369 /nfs/dbraw/zinc/49/63/69/569496369.db2.gz QXUXGACSTRYEJZ-OAQYLSRUSA-N 0 1 432.501 4.486 50 30 IIEAMN N#Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000245310990 569502596 /nfs/dbraw/zinc/50/25/96/569502596.db2.gz KYALBPLGYULVJR-VSKRKVRLSA-N 0 1 429.863 4.263 50 30 IIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009233610 569513838 /nfs/dbraw/zinc/51/38/38/569513838.db2.gz SHMLVLSZOLXHDI-MRJHHRETSA-N 0 1 426.944 4.447 50 30 IIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009233610 569513839 /nfs/dbraw/zinc/51/38/39/569513839.db2.gz SHMLVLSZOLXHDI-MRJHHRETSA-N 0 1 426.944 4.447 50 30 IIEAMN COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)C(C#N)c1ccccn1 ZINC000009283003 569518792 /nfs/dbraw/zinc/51/87/92/569518792.db2.gz HTCDOZAECKEFBQ-INIZCTEOSA-N 0 1 431.835 4.034 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000009312525 569521840 /nfs/dbraw/zinc/52/18/40/569521840.db2.gz GBCISDBAPNFHID-QMHKHESXSA-N 0 1 426.472 4.184 50 30 IIEAMN C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000009328255 569522796 /nfs/dbraw/zinc/52/27/96/569522796.db2.gz NIZQTUZJGWZCMX-HSZRJFAPSA-N 0 1 432.520 4.081 50 30 IIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000009358093 569525614 /nfs/dbraw/zinc/52/56/14/569525614.db2.gz RNFMTJUCDQJWBY-JOCHJYFZSA-N 0 1 433.460 4.471 50 30 IIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)ccc1O ZINC000009373843 569527135 /nfs/dbraw/zinc/52/71/35/569527135.db2.gz RNFMTJUCDQJWBY-QFIPXVFZSA-N 0 1 433.460 4.471 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccs1 ZINC000009380647 569528010 /nfs/dbraw/zinc/52/80/10/569528010.db2.gz UEBZMSAFWCQOHS-HXUWFJFHSA-N 0 1 429.538 4.316 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000009424200 569533052 /nfs/dbraw/zinc/53/30/52/569533052.db2.gz OZSBEWGNHDZXPJ-QHCPKHFHSA-N 0 1 445.446 4.375 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccncc3)ccc2O1 ZINC000009454375 569536634 /nfs/dbraw/zinc/53/66/34/569536634.db2.gz BDBMYVBFSSIHFK-MZNJEOGPSA-N 0 1 440.499 4.226 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)ccc2O1 ZINC000009470700 569538931 /nfs/dbraw/zinc/53/89/31/569538931.db2.gz MEIBXAOHPRSCOO-OSPHWJPCSA-N 0 1 440.499 4.226 50 30 IIEAMN C#CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316274 518302566 /nfs/dbraw/zinc/30/25/66/518302566.db2.gz XCYZUBSNTHBCKS-QHCPKHFHSA-N 0 1 447.579 4.448 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146659 518988297 /nfs/dbraw/zinc/98/82/97/518988297.db2.gz IJKRKHYEFVUPIY-PMACEKPBSA-N 0 1 432.923 4.038 50 30 IIEAMN C=CCn1c(SC[C@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)nnc1C1CCCCC1 ZINC000057647592 519237253 /nfs/dbraw/zinc/23/72/53/519237253.db2.gz LIENJNVDJPQXPW-IFMALSPDSA-N 0 1 427.618 4.357 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000021487010 520327916 /nfs/dbraw/zinc/32/79/16/520327916.db2.gz IKIVEWQKUALVST-QFIPXVFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000021487010 520327924 /nfs/dbraw/zinc/32/79/24/520327924.db2.gz IKIVEWQKUALVST-QFIPXVFZSA-N 0 1 440.515 4.063 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1 ZINC000009350516 520331659 /nfs/dbraw/zinc/33/16/59/520331659.db2.gz OFMKNMVUUWAMLJ-QFIPXVFZSA-N 0 1 429.476 4.044 50 30 IIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC)ccc1O ZINC000008926695 520775552 /nfs/dbraw/zinc/77/55/52/520775552.db2.gz RGHXAWKNEWSFCG-HXUWFJFHSA-N 0 1 445.899 4.059 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102553510 520852478 /nfs/dbraw/zinc/85/24/78/520852478.db2.gz PDYGENPPXQAOPY-HOGKFDNTSA-N 0 1 439.508 4.029 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000013686251 523562245 /nfs/dbraw/zinc/56/22/45/523562245.db2.gz JVCAOEWCEHYKOC-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 ZINC000104004203 523790486 /nfs/dbraw/zinc/79/04/86/523790486.db2.gz RNWYSBXRUAHDAY-XTNNDJGYSA-N 0 1 435.520 4.202 50 30 IIEAMN COc1ccc([C@@H]2[C@@H](C(=O)Nc3n[nH]c(CC(C)C)n3)c3ccccc3C(=O)N2C)cc1 ZINC000095475747 525271282 /nfs/dbraw/zinc/27/12/82/525271282.db2.gz XQJQLCZXTAINID-LEWJYISDSA-N 0 1 433.512 4.211 50 30 IIEAMN COc1ccc([C@@H]2[C@@H](C(=O)Nc3nc(CC(C)C)n[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095475747 525271286 /nfs/dbraw/zinc/27/12/86/525271286.db2.gz XQJQLCZXTAINID-LEWJYISDSA-N 0 1 433.512 4.211 50 30 IIEAMN N#CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000001051005 555612969 /nfs/dbraw/zinc/61/29/69/555612969.db2.gz BVKXGTXSHYJHAP-UHFFFAOYSA-N 0 1 425.897 4.459 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000001165799 555663828 /nfs/dbraw/zinc/66/38/28/555663828.db2.gz DDGAECHBSBZSPR-HSZRJFAPSA-N 0 1 427.504 4.235 50 30 IIEAMN CC(=NNC(=N)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccs1 ZINC000008682365 556199309 /nfs/dbraw/zinc/19/93/09/556199309.db2.gz URBMKPBTNIPICZ-SLSPDHCBSA-N 0 1 441.365 4.159 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1C ZINC000009008348 556240218 /nfs/dbraw/zinc/24/02/18/556240218.db2.gz ZHVXNNPFOWUZQC-OAQYLSRUSA-N 0 1 442.581 4.375 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009069203 556245194 /nfs/dbraw/zinc/24/51/94/556245194.db2.gz FHNUVNFNUKYBIZ-MRXNPFEDSA-N 0 1 441.852 4.488 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000009380108 556287076 /nfs/dbraw/zinc/28/70/76/556287076.db2.gz IBBKXYUYBVMDRX-QFIPXVFZSA-N 0 1 439.508 4.017 50 30 IIEAMN COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000013785613 556308779 /nfs/dbraw/zinc/30/87/79/556308779.db2.gz BRMWQJFCEFENML-DBXWQHBBSA-N 0 1 443.551 4.044 50 30 IIEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000016713809 556630702 /nfs/dbraw/zinc/63/07/02/556630702.db2.gz YVIYOZBCCMEWIK-HSZRJFAPSA-N 0 1 436.552 4.170 50 30 IIEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000016713809 556630706 /nfs/dbraw/zinc/63/07/06/556630706.db2.gz YVIYOZBCCMEWIK-HSZRJFAPSA-N 0 1 436.552 4.170 50 30 IIEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2ccccc2Br)cc(OC)c1OC ZINC000017014265 556652670 /nfs/dbraw/zinc/65/26/70/556652670.db2.gz PKUQKCVTDGGXNH-KEBDBYFISA-N 0 1 449.330 4.278 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000020229222 557001777 /nfs/dbraw/zinc/00/17/77/557001777.db2.gz UMBHDSMLWIKHQP-OAQYLSRUSA-N 0 1 440.927 4.045 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000020229222 557001778 /nfs/dbraw/zinc/00/17/78/557001778.db2.gz UMBHDSMLWIKHQP-OAQYLSRUSA-N 0 1 440.927 4.045 50 30 IIEAMN O=C([O-])c1cccc(NC(=[NH+]Cc2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)c1 ZINC000046022088 557021720 /nfs/dbraw/zinc/02/17/20/557021720.db2.gz FTSHUPRBNSCRHK-UHFFFAOYSA-N 0 1 438.547 4.252 50 30 IIEAMN CN(C)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000033325294 557107510 /nfs/dbraw/zinc/10/75/10/557107510.db2.gz SKUICVWLBHAPJO-UHFFFAOYSA-N 0 1 439.928 4.171 50 30 IIEAMN O=C(c1ccco1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 ZINC000101069974 557223702 /nfs/dbraw/zinc/22/37/02/557223702.db2.gz FHEKPGDURRNAAJ-GHNGSUTGSA-N 0 1 439.265 4.059 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000101287477 557268025 /nfs/dbraw/zinc/26/80/25/557268025.db2.gz LQVNGMLGJTXRHJ-JBCNATCCSA-N 0 1 434.423 4.313 50 30 IIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000102534089 557344239 /nfs/dbraw/zinc/34/42/39/557344239.db2.gz HPFZKBRSUUSLRX-AYWGPLOBSA-N 0 1 445.519 4.184 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Cl)cc1 ZINC000102511850 557349970 /nfs/dbraw/zinc/34/99/70/557349970.db2.gz ZVAGLMSCVQENSK-YDJIHCHBSA-N 0 1 429.900 4.115 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Cl)c1 ZINC000102520330 557352435 /nfs/dbraw/zinc/35/24/35/557352435.db2.gz WTQVXAHLQRWSPQ-QZKVPLAPSA-N 0 1 441.911 4.122 50 30 IIEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000102800348 557390099 /nfs/dbraw/zinc/39/00/99/557390099.db2.gz XRMDILVXSWSIAK-IBOXJLQUSA-N 0 1 441.490 4.356 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1Cl ZINC000102800693 557390634 /nfs/dbraw/zinc/39/06/34/557390634.db2.gz GHIMZBNLATZDCI-WOOAAIBNSA-N 0 1 442.830 4.410 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102861570 557402192 /nfs/dbraw/zinc/40/21/92/557402192.db2.gz WGLXFRMYMIUOGA-YDJIHCHBSA-N 0 1 449.850 4.265 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000102864843 557403940 /nfs/dbraw/zinc/40/39/40/557403940.db2.gz UKWIMKZBLSSSEI-MRJHHRETSA-N 0 1 442.943 4.030 50 30 IIEAMN CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000102929273 557410800 /nfs/dbraw/zinc/41/08/00/557410800.db2.gz CCIKKUOHOOEKKN-MOBKVPTQSA-N 0 1 449.459 4.014 50 30 IIEAMN N#Cc1c(COC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cn2ccccc12 ZINC000014852209 557492825 /nfs/dbraw/zinc/49/28/25/557492825.db2.gz JFWUCJKRNXJUFX-UHFFFAOYSA-N 0 1 449.463 4.108 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008856438 562965286 /nfs/dbraw/zinc/96/52/86/562965286.db2.gz VHVXGZDDADGJCI-HXUWFJFHSA-N 0 1 445.387 4.420 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000104984334 568623092 /nfs/dbraw/zinc/62/30/92/568623092.db2.gz HOBNXCNEJOLUSS-FGZHOGPDSA-N 0 1 428.960 4.207 50 30 IIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000104189867 568900884 /nfs/dbraw/zinc/90/08/84/568900884.db2.gz MXSIQKSHSGFSMP-UYTDBDHRSA-N 0 1 425.337 4.038 50 30 IIEAMN COc1cc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1O ZINC000239173921 568910746 /nfs/dbraw/zinc/91/07/46/568910746.db2.gz OXPFORPTVXTJSC-UHFFFAOYSA-N 0 1 429.520 4.131 50 30 IIEAMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c1C#N ZINC000010217221 569153241 /nfs/dbraw/zinc/15/32/41/569153241.db2.gz HTRGPSALGSGRRE-UHFFFAOYSA-N 0 1 438.538 4.195 50 30 IIEAMN O[C@@H](CON=C1c2ccccc2-c2ccccc21)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000019891786 569331756 /nfs/dbraw/zinc/33/17/56/569331756.db2.gz HRPCDZZGTASGJD-OAQYLSRUSA-N 0 1 447.966 4.273 50 30 IIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020229683 569356952 /nfs/dbraw/zinc/35/69/52/569356952.db2.gz JWMRQMJWTJHGIB-NRFANRHFSA-N 0 1 442.943 4.269 50 30 IIEAMN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000002628169 569411912 /nfs/dbraw/zinc/41/19/12/569411912.db2.gz ZZQNALMAASXNSU-UHFFFAOYSA-N 0 1 448.733 4.490 50 30 IIEAMN C[C@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000031773926 569457340 /nfs/dbraw/zinc/45/73/40/569457340.db2.gz IUSAFUMKZOFXCH-VIFPVBQESA-N 0 1 435.292 4.328 50 30 IIEAMN C[C@@H](Sc1nc(-c2ccco2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000031773924 569457384 /nfs/dbraw/zinc/45/73/84/569457384.db2.gz IUSAFUMKZOFXCH-SECBINFHSA-N 0 1 435.292 4.328 50 30 IIEAMN C=CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCOCC)c1 ZINC000008845290 569478734 /nfs/dbraw/zinc/47/87/34/569478734.db2.gz BFYQFPBUMQEABN-XMMPIXPASA-N 0 1 433.508 4.319 50 30 IIEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845432 569478800 /nfs/dbraw/zinc/47/88/00/569478800.db2.gz DZKIRABXOOFVAA-VWLOTQADSA-N 0 1 438.487 4.488 50 30 IIEAMN C=CCN1C(=O)c2n[nH]c(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000009184768 569510031 /nfs/dbraw/zinc/51/00/31/569510031.db2.gz WNBKTNMVIJMDJF-QHCPKHFHSA-N 0 1 449.507 4.156 50 30 IIEAMN CCCC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)C1=O ZINC000009272217 569517894 /nfs/dbraw/zinc/51/78/94/569517894.db2.gz WQJSKPSPXDJVHT-FDJFIASXSA-N 0 1 426.498 4.238 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009360418 569525766 /nfs/dbraw/zinc/52/57/66/569525766.db2.gz PGSNFBLEMUBNHV-HSZRJFAPSA-N 0 1 442.471 4.131 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000009424796 569533114 /nfs/dbraw/zinc/53/31/14/569533114.db2.gz LHELJTPCZSRQPZ-XMMPIXPASA-N 0 1 441.483 4.279 50 30 IIEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@H]12 ZINC000061996964 518663917 /nfs/dbraw/zinc/66/39/17/518663917.db2.gz YYNSVIHMXBJYSY-MXCHMSEPSA-N 0 1 439.556 4.031 50 30 biogenic IIEAMN C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)cc1OC ZINC000012532923 519028098 /nfs/dbraw/zinc/02/80/98/519028098.db2.gz QHJANSKTBJTVFU-UHFFFAOYSA-N 0 1 429.948 4.308 50 30 IIEAMN CCCC[N@@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)O2 ZINC000020610771 520418941 /nfs/dbraw/zinc/41/89/41/520418941.db2.gz PMSVRLKPJXULKA-ODLFYWEKSA-N 0 1 427.497 4.266 50 30 biogenic IIEAMN CCCC1S/C(=N/N=C/c2ccc(OC)c(OC)c2)N(Cc2ccc(OC)cc2)C1=O ZINC000013598441 521256411 /nfs/dbraw/zinc/25/64/11/521256411.db2.gz OUSRUVHNFBYOMD-ONRUDAJHSA-N 0 1 441.553 4.347 50 30 IIEAMN COc1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)cc(OC)c1OC ZINC000037857669 521952340 /nfs/dbraw/zinc/95/23/40/521952340.db2.gz UAOOACARZZJCKB-PZUDMAOCSA-N 0 1 439.508 4.409 50 30 IIEAMN COc1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)C2=O)cc(OC)c1OC ZINC000020624495 521969667 /nfs/dbraw/zinc/96/96/67/521969667.db2.gz PRHVTGINQACFIQ-RKQRPNFGSA-N 0 1 439.508 4.266 50 30 biogenic IIEAMN COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2N=C3NC2CCCC2)cc1F ZINC000096309780 523639756 /nfs/dbraw/zinc/63/97/56/523639756.db2.gz YCEHYFNLLAOJPB-DEOSSOPVSA-N 0 1 437.519 4.083 50 30 biogenic IIEAMN O=[N+]([O-])c1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1 ZINC000012428966 527346218 /nfs/dbraw/zinc/34/62/18/527346218.db2.gz MEPGFXSCMACINL-FRKPEAEDSA-N 0 1 447.026 4.418 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000000702760 555543639 /nfs/dbraw/zinc/54/36/39/555543639.db2.gz TUJOARYVVRFCBJ-TZIWHRDSSA-N 0 1 441.911 4.496 50 30 IIEAMN COc1cc(/C=N/N=C2/NC(=O)C(Cc3ccccc3)S2)ccc1OCc1ccccc1 ZINC000001139754 555649539 /nfs/dbraw/zinc/64/95/39/555649539.db2.gz HEEWFPYBZZIYFD-LRULAXNGSA-N 0 1 445.544 4.438 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000001198832 555677890 /nfs/dbraw/zinc/67/78/90/555677890.db2.gz HZZPTSVJNKWOJA-QHCPKHFHSA-N 0 1 429.472 4.482 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCOC)c1 ZINC000008384159 556160084 /nfs/dbraw/zinc/16/00/84/556160084.db2.gz COMDFXGKMAHJFM-OAQYLSRUSA-N 0 1 425.456 4.005 50 30 IIEAMN Oc1c(I)cc(I)cc1/C=N/c1ccccc1 ZINC000008404470 556166497 /nfs/dbraw/zinc/16/64/97/556166497.db2.gz IVVXUTNDNOPNIZ-LZYBPNLTSA-N 0 1 449.029 4.352 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009007662 556239837 /nfs/dbraw/zinc/23/98/37/556239837.db2.gz PVWOQLZBQYTQIM-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(O)cc3)ccc2O1 ZINC000009311861 556280438 /nfs/dbraw/zinc/28/04/38/556280438.db2.gz VWHGEWTZRIWNMX-VOIUYBSRSA-N 0 1 441.483 4.494 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009311860 556280477 /nfs/dbraw/zinc/28/04/77/556280477.db2.gz VWHGEWTZRIWNMX-FYSMJZIKSA-N 0 1 441.483 4.494 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccccc1OC ZINC000009329128 556282597 /nfs/dbraw/zinc/28/25/97/556282597.db2.gz HRRFMAVIZPYBEG-JOCHJYFZSA-N 0 1 439.508 4.097 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ncc([N+](=O)[O-])s2)cc1 ZINC000016700102 556629731 /nfs/dbraw/zinc/62/97/31/556629731.db2.gz RLJLNNGUDDSCCY-OAHLLOKOSA-N 0 1 427.463 4.204 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccccc2)cc1Cl ZINC000016732491 556631957 /nfs/dbraw/zinc/63/19/57/556631957.db2.gz QCLDTPSRZDCROZ-HXUWFJFHSA-N 0 1 429.900 4.354 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000016737234 556633881 /nfs/dbraw/zinc/63/38/81/556633881.db2.gz PQMAJEBLJSTXNR-HXUWFJFHSA-N 0 1 429.900 4.090 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1cccc(Br)c1 ZINC000018068115 556682698 /nfs/dbraw/zinc/68/26/98/556682698.db2.gz XQCUDFVUTLGBQC-GOSISDBHSA-N 0 1 436.265 4.022 50 30 IIEAMN COc1cc([N+](=O)[O-])cc(/C=N/CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1O ZINC000019635446 556834795 /nfs/dbraw/zinc/83/47/95/556834795.db2.gz NCYJYCOUTUHPBL-LSHDLFTRSA-N 0 1 442.350 4.157 50 30 IIEAMN COCC[NH+](CCOC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000023127135 557011893 /nfs/dbraw/zinc/01/18/93/557011893.db2.gz XAPZQBQPWXAQQB-HMAPJEAMSA-N 0 1 437.492 4.158 50 30 biogenic IIEAMN COc1ccc(/C(C)=N/N=C2\NC(=O)C(Cc3ccc(Br)cc3)S2)cc1 ZINC000011565534 557201583 /nfs/dbraw/zinc/20/15/83/557201583.db2.gz VZKPCRZFHFKWIM-ORWNMUSCSA-N 0 1 432.343 4.012 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)no1 ZINC000101062659 557219333 /nfs/dbraw/zinc/21/93/33/557219333.db2.gz JNKBERDBXHZOHF-SELCWUDQSA-N 0 1 439.265 4.372 50 30 IIEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102402607 557323164 /nfs/dbraw/zinc/32/31/64/557323164.db2.gz DHVJSNJOTQBYRI-MOBKVPTQSA-N 0 1 430.508 4.167 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000102511841 557349980 /nfs/dbraw/zinc/34/99/80/557349980.db2.gz ZVAGLMSCVQENSK-NHFXJNLRSA-N 0 1 429.900 4.115 50 30 IIEAMN CCSc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102575897 557355152 /nfs/dbraw/zinc/35/51/52/557355152.db2.gz YNXSIEPISZECCW-MRPLLJTBSA-N 0 1 447.538 4.477 50 30 IIEAMN CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2F)s1 ZINC000102589080 557356454 /nfs/dbraw/zinc/35/64/54/557356454.db2.gz NHZKILJKFXXBRG-DPEHCCBOSA-N 0 1 445.497 4.317 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(Cl)c1 ZINC000102646991 557360987 /nfs/dbraw/zinc/36/09/87/557360987.db2.gz WTQVXAHLQRWSPQ-FEETXENISA-N 0 1 441.911 4.122 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102651365 557361712 /nfs/dbraw/zinc/36/17/12/557361712.db2.gz UEDLFYMNXOQNKC-LNMXKIQISA-N 0 1 436.464 4.232 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000102735394 557372860 /nfs/dbraw/zinc/37/28/60/557372860.db2.gz OARTZQAHLGQFRQ-FIMCBBJJSA-N 0 1 426.472 4.027 50 30 IIEAMN COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1ccccc1 ZINC000102748122 557378928 /nfs/dbraw/zinc/37/89/28/557378928.db2.gz DBFZKAIKBXCCGU-GROYHEBESA-N 0 1 441.896 4.135 50 30 IIEAMN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(c2nnc(C)s2)[C@@H]1c1ccccc1 ZINC000102748122 557378929 /nfs/dbraw/zinc/37/89/29/557378929.db2.gz DBFZKAIKBXCCGU-GROYHEBESA-N 0 1 441.896 4.135 50 30 IIEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000102800350 557390466 /nfs/dbraw/zinc/39/04/66/557390466.db2.gz XRMDILVXSWSIAK-UYTDBDHRSA-N 0 1 441.490 4.356 50 30 IIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000102881115 557407732 /nfs/dbraw/zinc/40/77/32/557407732.db2.gz VSVRHJNOVNSADE-NHFXJNLRSA-N 0 1 439.874 4.188 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccc(F)cc1 ZINC000102886795 557409471 /nfs/dbraw/zinc/40/94/71/557409471.db2.gz RAZMYHTVZSPYBK-JBCNATCCSA-N 0 1 427.472 4.071 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)cc1C ZINC000102932409 557412942 /nfs/dbraw/zinc/41/29/42/557412942.db2.gz VROUSIXTFHYMBU-JBCNATCCSA-N 0 1 442.581 4.219 50 30 IIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102934845 557413292 /nfs/dbraw/zinc/41/32/92/557413292.db2.gz CYHMILHCBPHRCO-JBCNATCCSA-N 0 1 441.911 4.363 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccs2)cc1C ZINC000103143868 557423321 /nfs/dbraw/zinc/42/33/21/557423321.db2.gz UIVCHGUEQCTQIZ-YDJIHCHBSA-N 0 1 429.538 4.304 50 30 IIEAMN COc1ccc(S(=O)(=O)N=C2CC(=Nc3ccccc3C)C(=O)c3ccccc32)cc1 ZINC000103746387 557441269 /nfs/dbraw/zinc/44/12/69/557441269.db2.gz ZKEKXLVPIVIDIM-XTCLZLMSSA-N 0 1 432.501 4.374 50 30 IIEAMN CCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000006149713 568846976 /nfs/dbraw/zinc/84/69/76/568846976.db2.gz AMXVOGCPYPAVCB-OAQYLSRUSA-N 0 1 425.481 4.091 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000169681918 568992812 /nfs/dbraw/zinc/99/28/12/568992812.db2.gz HOBNXCNEJOLUSS-YADHBBJMSA-N 0 1 428.960 4.207 50 30 IIEAMN CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cc(C)c(C)cc2[O-])[C@H]1c1ccccc1 ZINC000020309984 569359761 /nfs/dbraw/zinc/35/97/61/569359761.db2.gz ZXJHELPUJLKMRN-HSZRJFAPSA-N 0 1 436.552 4.319 50 30 IIEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)Cl)cc1COc1ccc(C#N)cc1 ZINC000002790309 569421801 /nfs/dbraw/zinc/42/18/01/569421801.db2.gz MKLGPSJZJULTAQ-YSURURNPSA-N 0 1 449.870 4.196 50 30 IIEAMN CC(C)[C@H](NCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)OCCCO2 ZINC000057323229 569431169 /nfs/dbraw/zinc/43/11/69/569431169.db2.gz YHNFVBCMBNDARA-QFIPXVFZSA-N 0 1 425.554 4.195 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008996240 569495766 /nfs/dbraw/zinc/49/57/66/569495766.db2.gz KIUSALKFAGIRHF-NRFANRHFSA-N 0 1 434.423 4.470 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008996239 569495777 /nfs/dbraw/zinc/49/57/77/569495777.db2.gz KIUSALKFAGIRHF-OAQYLSRUSA-N 0 1 434.423 4.470 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000009008726 569496337 /nfs/dbraw/zinc/49/63/37/569496337.db2.gz YKQNDNKUAAMJGG-KRWDZBQOSA-N 0 1 436.265 4.022 50 30 IIEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1C[C@H]1CCCO1 ZINC000009041975 569497713 /nfs/dbraw/zinc/49/77/13/569497713.db2.gz OILZEDGUVUMCQU-UZLBHIALSA-N 0 1 427.884 4.106 50 30 IIEAMN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009069995 569500082 /nfs/dbraw/zinc/50/00/82/569500082.db2.gz IYILGSADTUQRPW-MRJHHRETSA-N 0 1 442.943 4.111 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 ZINC000009411626 569531520 /nfs/dbraw/zinc/53/15/20/569531520.db2.gz WYYQPFOXTWBFNI-OAQYLSRUSA-N 0 1 434.423 4.470 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccncc3)ccc2O1 ZINC000009470838 569538878 /nfs/dbraw/zinc/53/88/78/569538878.db2.gz BDBMYVBFSSIHFK-XDHUDOTRSA-N 0 1 440.499 4.226 50 30 IIEAMN N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002362593 132252864 /nfs/dbraw/zinc/25/28/64/132252864.db2.gz BFJUCSMIRXOCEV-LJQANCHMSA-N 0 1 426.929 4.312 50 30 IIEAMN C=CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)SC1=S ZINC000013476534 518829877 /nfs/dbraw/zinc/82/98/77/518829877.db2.gz SMDDYCUUJLSDCI-BJMVGYQFSA-N 0 1 435.162 4.304 50 30 IIEAMN C=CCOC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146728 518993586 /nfs/dbraw/zinc/99/35/86/518993586.db2.gz KTMSJFQUEBKWQO-UXHICEINSA-N 0 1 432.923 4.038 50 30 IIEAMN CCCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)c1 ZINC000013470786 520439202 /nfs/dbraw/zinc/43/92/02/520439202.db2.gz FYOKPNBHIDBMEO-JOCHJYFZSA-N 0 1 429.476 4.044 50 30 IIEAMN CCOCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000066088900 521705162 /nfs/dbraw/zinc/70/51/62/521705162.db2.gz SXTLJHLSBBJBRS-FQEVSTJZSA-N 0 1 429.900 4.354 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Cl)c1 ZINC000009312375 523283684 /nfs/dbraw/zinc/28/36/84/523283684.db2.gz VEIUVTUDKWHEIA-LHSJRXKWSA-N 0 1 441.911 4.278 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccncc2)cc1F ZINC000013693368 523567912 /nfs/dbraw/zinc/56/79/12/523567912.db2.gz TYXWZZTVHQUTTF-SFHVURJKSA-N 0 1 439.468 4.086 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nnc(C)s2)cc1 ZINC000001129469 555643411 /nfs/dbraw/zinc/64/34/11/555643411.db2.gz WNRSTYAAIMOVJC-IBGZPJMESA-N 0 1 447.472 4.384 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccccc2)cc1 ZINC000008743853 556208125 /nfs/dbraw/zinc/20/81/25/556208125.db2.gz LILDGWPPVPTUFT-QHCPKHFHSA-N 0 1 445.519 4.339 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000009086364 556245527 /nfs/dbraw/zinc/24/55/27/556245527.db2.gz WOZWKPAOZOOGLO-FQEVSTJZSA-N 0 1 429.900 4.272 50 30 IIEAMN CCCOc1ccc(C=Nn2c(=S)[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009088278 556245790 /nfs/dbraw/zinc/24/57/90/556245790.db2.gz JEOQPKACJXLPEG-LPYMAVHISA-N 0 1 428.514 4.304 50 30 IIEAMN C=CCN1C(=O)C(=O)C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009109321 556247502 /nfs/dbraw/zinc/24/75/02/556247502.db2.gz LKELBCVRTDGNPJ-QGZVFWFLSA-N 0 1 443.253 4.122 50 30 IIEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C ZINC000009271689 556270940 /nfs/dbraw/zinc/27/09/40/556270940.db2.gz QXEKIXFADPSQBD-HSZRJFAPSA-N 0 1 436.552 4.314 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C ZINC000009271689 556270944 /nfs/dbraw/zinc/27/09/44/556270944.db2.gz QXEKIXFADPSQBD-HSZRJFAPSA-N 0 1 436.552 4.314 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(O)cc3)ccc2O1 ZINC000009311859 556279980 /nfs/dbraw/zinc/27/99/80/556279980.db2.gz VWHGEWTZRIWNMX-GYCJOSAFSA-N 0 1 441.483 4.494 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009312266 556280518 /nfs/dbraw/zinc/28/05/18/556280518.db2.gz FSOWOUILGXIBKV-LJQANCHMSA-N 0 1 435.823 4.426 50 30 IIEAMN COc1cc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc([N+](=O)[O-])c1O ZINC000013766110 556302731 /nfs/dbraw/zinc/30/27/31/556302731.db2.gz IXIXDRIXRIAKFA-ZVHZXABRSA-N 0 1 442.435 4.274 50 30 IIEAMN N=C(Cc1ccc(Cl)c(Cl)c1)NOC(=O)c1ccc(I)cc1 ZINC000013880365 556325730 /nfs/dbraw/zinc/32/57/30/556325730.db2.gz UXHPPTZFTJNSLI-UHFFFAOYSA-N 0 1 449.075 4.270 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)s1 ZINC000012062508 556395787 /nfs/dbraw/zinc/39/57/87/556395787.db2.gz VKDUYOSONXMVSX-BMLIUANNSA-N 0 1 439.518 4.014 50 30 IIEAMN COc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1OC ZINC000032913166 556587495 /nfs/dbraw/zinc/58/74/95/556587495.db2.gz SGPUQVKIRHDMRA-UHFFFAOYSA-N 0 1 443.456 4.011 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccccc2)cc1Cl ZINC000016732494 556631912 /nfs/dbraw/zinc/63/19/12/556631912.db2.gz QCLDTPSRZDCROZ-FQEVSTJZSA-N 0 1 429.900 4.354 50 30 IIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020233499 557001925 /nfs/dbraw/zinc/00/19/25/557001925.db2.gz AGQFLYNNDHTZPT-NRFANRHFSA-N 0 1 440.927 4.045 50 30 IIEAMN C=CCN1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 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CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)cc1 ZINC000102797415 557388631 /nfs/dbraw/zinc/38/86/31/557388631.db2.gz DZKMCVKXYJVOOL-HOGKFDNTSA-N 0 1 432.451 4.241 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102801576 557390838 /nfs/dbraw/zinc/39/08/38/557390838.db2.gz KXUCANNYMWJIGG-WOOAAIBNSA-N 0 1 438.823 4.463 50 30 IIEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102892443 557405871 /nfs/dbraw/zinc/40/58/71/557405871.db2.gz FIHPKVIXYRLVGH-SBXHHDGASA-N 0 1 441.483 4.388 50 30 IIEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000104137015 557451302 /nfs/dbraw/zinc/45/13/02/557451302.db2.gz UIGBQDZLNSKGRK-JBCNATCCSA-N 0 1 448.406 4.369 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000104144574 557451923 /nfs/dbraw/zinc/45/19/23/557451923.db2.gz WNEQPWKSQDJDRG-MOBKVPTQSA-N 0 1 444.443 4.225 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009360439 562969609 /nfs/dbraw/zinc/96/96/09/562969609.db2.gz BBYYBKZUNWZEDW-FQEVSTJZSA-N 0 1 438.436 4.075 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016731181 568792551 /nfs/dbraw/zinc/79/25/51/568792551.db2.gz ZLGGLOQXORIUNU-QFIPXVFZSA-N 0 1 448.450 4.016 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(CC)cc2)cc1 ZINC000016731556 568792559 /nfs/dbraw/zinc/79/25/59/568792559.db2.gz XULCLGLCJDDYSJ-QHCPKHFHSA-N 0 1 435.520 4.429 50 30 IIEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3CN3CC[NH+](CC)CC3)C2=O)c2ccccc21 ZINC000032501346 568811644 /nfs/dbraw/zinc/81/16/44/568811644.db2.gz QOMLTJIHEBUZPN-IWIPYMOSSA-N 0 1 431.536 4.121 50 30 IIEAMN Oc1c(Br)cc(Br)cc1/C=N/NC(=S)Nc1cccc(F)c1 ZINC000001957525 568923956 /nfs/dbraw/zinc/92/39/56/568923956.db2.gz SZAKTDARNBTQJH-CNHKJKLMSA-N 0 1 447.127 4.377 50 30 IIEAMN COc1cccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c2C#N)c1 ZINC000000659307 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JHXGSQPXEZCNIZ-SBXHHDGASA-N 0 1 443.499 4.368 50 30 IIEAMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)C(C#N)c1nnc(-c2ccccc2)n1C ZINC000060043944 526297709 /nfs/dbraw/zinc/29/77/09/526297709.db2.gz MEPSFDAXVWYJLK-LJQANCHMSA-N 0 1 444.926 4.487 50 30 IIEAMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C ZINC000060043944 526297716 /nfs/dbraw/zinc/29/77/16/526297716.db2.gz MEPSFDAXVWYJLK-LJQANCHMSA-N 0 1 444.926 4.487 50 30 IIEAMN COc1ccc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)cc1 ZINC000009873977 536696868 /nfs/dbraw/zinc/69/68/68/536696868.db2.gz ZNYVOVPQMAOHMW-UHFFFAOYSA-N 0 1 438.597 4.048 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001167845 555664906 /nfs/dbraw/zinc/66/49/06/555664906.db2.gz NZMDUAJWULMCPB-JOCHJYFZSA-N 0 1 432.451 4.398 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000001198833 555677947 /nfs/dbraw/zinc/67/79/47/555677947.db2.gz HZZPTSVJNKWOJA-HSZRJFAPSA-N 0 1 429.472 4.482 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)s1 ZINC000009014833 556241287 /nfs/dbraw/zinc/24/12/87/556241287.db2.gz QQYRAEHJALHKEE-OAHLLOKOSA-N 0 1 427.482 4.182 50 30 IIEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)ccc1OCC(C)C ZINC000009339534 556283220 /nfs/dbraw/zinc/28/32/20/556283220.db2.gz YFAHFVPSTPKBIE-OAQYLSRUSA-N 0 1 442.581 4.231 50 30 IIEAMN COc1cc([C@@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000033679079 556621106 /nfs/dbraw/zinc/62/11/06/556621106.db2.gz NKOQGSBHIYYSRF-VLRJHWBUSA-N 0 1 431.444 4.172 50 30 IIEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccncc3)oc21 ZINC000013728239 556720395 /nfs/dbraw/zinc/72/03/95/556720395.db2.gz QHFKRDHMNLVPMW-OAQYLSRUSA-N 0 1 441.443 4.010 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccn2)cc1F ZINC000013732457 556720815 /nfs/dbraw/zinc/72/08/15/556720815.db2.gz PBZPYLWCGXXFKM-GOSISDBHSA-N 0 1 439.468 4.086 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2)cc1 ZINC000008440676 557099419 /nfs/dbraw/zinc/09/94/19/557099419.db2.gz WANZHSGORVKRIJ-NRFANRHFSA-N 0 1 425.456 4.005 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008905030 557126440 /nfs/dbraw/zinc/12/64/40/557126440.db2.gz BRPRMOSTARAHRK-AZUAARDMSA-N 0 1 427.884 4.106 50 30 IIEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000018179585 557245939 /nfs/dbraw/zinc/24/59/39/557245939.db2.gz BRJMPWFLSAKBIC-OAQYLSRUSA-N 0 1 448.862 4.242 50 30 IIEAMN C=CCSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C)cc2)s1 ZINC000101325217 557273669 /nfs/dbraw/zinc/27/36/69/557273669.db2.gz ANSSWJRJROQRKR-IBOXJLQUSA-N 0 1 439.518 4.344 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000102653208 557361703 /nfs/dbraw/zinc/36/17/03/557361703.db2.gz PADMGSHDVBSMCQ-LNMXKIQISA-N 0 1 436.464 4.232 50 30 IIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102735103 557372411 /nfs/dbraw/zinc/37/24/11/557372411.db2.gz DQSWCOQEVIDKDJ-WZLGSTDNSA-N 0 1 448.563 4.117 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102804314 557386564 /nfs/dbraw/zinc/38/65/64/557386564.db2.gz CJIWTIKMQSATHL-SELCWUDQSA-N 0 1 439.811 4.171 50 30 IIEAMN C=C[C@](C)(C[C@@H](OCOC)[C@]1(C)C2=C(CCC2=O)CC[C@H]1C)C([O-])=C([N+]#N)C(=O)OC ZINC000526066228 568745367 /nfs/dbraw/zinc/74/53/67/568745367.db2.gz UQBVIMJSHSWXAR-JNSQDOHPSA-O 0 1 433.525 4.449 50 30 IIEAMN Oc1c(I)cc(I)cc1C=Nc1ccccc1 ZINC000252612764 569197438 /nfs/dbraw/zinc/19/74/38/569197438.db2.gz IVVXUTNDNOPNIZ-UHFFFAOYSA-N 0 1 449.029 4.352 50 30 IIEAMN Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)NC2=S)c1C ZINC000009262825 569294988 /nfs/dbraw/zinc/29/49/88/569294988.db2.gz SWBASXAZZYMRLG-UNOMPAQXSA-N 0 1 427.485 4.266 50 30 IIEAMN O=[N+]([O-])c1ccccc1CN=Nc1nc(Nc2ccc(F)cc2)nc(N2CCCCC2)n1 ZINC000008872976 569480979 /nfs/dbraw/zinc/48/09/79/569480979.db2.gz VBVPQGPZGLEJNH-UCQKPKSFSA-N 0 1 436.451 4.099 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009008763 569496297 /nfs/dbraw/zinc/49/62/97/569496297.db2.gz SIPFLOFQLOVFNV-OAQYLSRUSA-N 0 1 442.943 4.269 50 30 IIEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009008763 569496298 /nfs/dbraw/zinc/49/62/98/569496298.db2.gz SIPFLOFQLOVFNV-OAQYLSRUSA-N 0 1 442.943 4.269 50 30 IIEAMN COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000009042021 569497691 /nfs/dbraw/zinc/49/76/91/569497691.db2.gz GIYXMAFGFJVAKG-UHFFFAOYSA-N 0 1 426.885 4.114 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000009446798 569535942 /nfs/dbraw/zinc/53/59/42/569535942.db2.gz CNMIHFASXYGTHU-MRXNPFEDSA-N 0 1 439.518 4.052 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009463001 569537383 /nfs/dbraw/zinc/53/73/83/569537383.db2.gz UQLHHOLOVQESNI-NRFANRHFSA-N 0 1 434.423 4.470 50 30 IIEAMN C#CCOC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036316310 518298449 /nfs/dbraw/zinc/29/84/49/518298449.db2.gz HOQPHPVGIVURPH-QHCPKHFHSA-N 0 1 447.579 4.450 50 30 IIEAMN C#CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036316275 518309874 /nfs/dbraw/zinc/30/98/74/518309874.db2.gz XCYZUBSNTHBCKS-HSZRJFAPSA-N 0 1 447.579 4.448 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000036145929 518988560 /nfs/dbraw/zinc/98/85/60/518988560.db2.gz HOBNXCNEJOLUSS-FCHUYYIVSA-N 0 1 428.960 4.207 50 30 IIEAMN CC(C)C[C@H](C)N1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]CCc2ccccc2)CC1 ZINC000065308262 519313679 /nfs/dbraw/zinc/31/36/79/519313679.db2.gz VZOQCGSNXHJRSN-NRFANRHFSA-N 0 1 436.600 4.257 50 30 IIEAMN CC(C)C[C@@H](C)N1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]CCc2ccccc2)CC1 ZINC000065308261 519772535 /nfs/dbraw/zinc/77/25/35/519772535.db2.gz VZOQCGSNXHJRSN-OAQYLSRUSA-N 0 1 436.600 4.257 50 30 IIEAMN COc1ccc(/C(C)=N\N=C2/NC(=O)C(Cc3ccc(Br)cc3)S2)cc1 ZINC000012342843 523363663 /nfs/dbraw/zinc/36/36/63/523363663.db2.gz VZKPCRZFHFKWIM-SLCIXIPPSA-N 0 1 432.343 4.012 50 30 IIEAMN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)C2=O)c(OC)c1OC ZINC000020610593 523422238 /nfs/dbraw/zinc/42/22/38/523422238.db2.gz MSEOPMLEOSBVGK-PJMHOZITSA-N 0 1 439.508 4.409 50 30 biogenic IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccncc3)ccc2O1 ZINC000009454385 525517615 /nfs/dbraw/zinc/51/76/15/525517615.db2.gz BDBMYVBFSSIHFK-OSPHWJPCSA-N 0 1 440.499 4.226 50 30 IIEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2cnc[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000012429090 526268689 /nfs/dbraw/zinc/26/86/89/526268689.db2.gz DVWNIDAWYLVGOB-IBGZPJMESA-N 0 1 425.847 4.023 50 30 IIEAMN N#CC(C(=O)NCc1ccc(OCc2cccnc2)cc1)c1nc2cc(F)ccc2s1 ZINC000095453884 526505989 /nfs/dbraw/zinc/50/59/89/526505989.db2.gz FRVXDWBRCRKDDA-LJQANCHMSA-N 0 1 432.480 4.333 50 30 IIEAMN O=C(C=CNc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc2ccccc21 ZINC000013638866 527653117 /nfs/dbraw/zinc/65/31/17/527653117.db2.gz MHARIWOXVIMPST-SSZFMOIBSA-N 0 1 430.489 4.239 50 30 IIEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000000634288 555516387 /nfs/dbraw/zinc/51/63/87/555516387.db2.gz UKKHGYFDLBPITO-INIZCTEOSA-N 0 1 429.860 4.422 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000860881 555572051 /nfs/dbraw/zinc/57/20/51/555572051.db2.gz WWPQPVJDABGFER-LJQANCHMSA-N 0 1 435.823 4.426 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000006238887 556081686 /nfs/dbraw/zinc/08/16/86/556081686.db2.gz JKAYQOCXNISFHJ-SFHVURJKSA-N 0 1 430.298 4.064 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008740780 556206646 /nfs/dbraw/zinc/20/66/46/556206646.db2.gz ODTPSZMWXCUDSW-GOSISDBHSA-N 0 1 439.811 4.328 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008740781 556206679 /nfs/dbraw/zinc/20/66/79/556206679.db2.gz ODTPSZMWXCUDSW-SFHVURJKSA-N 0 1 439.811 4.328 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1F ZINC000016729234 556631428 /nfs/dbraw/zinc/63/14/28/556631428.db2.gz SNEIONPASPPMCK-JOCHJYFZSA-N 0 1 432.451 4.316 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(F)c2)cc1 ZINC000016733182 556632273 /nfs/dbraw/zinc/63/22/73/556632273.db2.gz BZIGDSLGKFUHQL-IFMALSPDSA-N 0 1 437.467 4.148 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000016734348 556632780 /nfs/dbraw/zinc/63/27/80/556632780.db2.gz CWBZEMWPUXKXNJ-HSZRJFAPSA-N 0 1 449.503 4.041 50 30 IIEAMN COc1cc(OC)c(OC)cc1C=Nn1c(=S)[nH]nc1-c1cccc(OC(C)C)c1 ZINC000016995018 556652414 /nfs/dbraw/zinc/65/24/14/556652414.db2.gz FVBGIJDGJHQCBM-WSDLNYQXSA-N 0 1 428.514 4.303 50 30 IIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000019883225 556937638 /nfs/dbraw/zinc/93/76/38/556937638.db2.gz CZZFJKOYTNOHJN-INIZCTEOSA-N 0 1 425.337 4.195 50 30 IIEAMN O=C([O-])c1cc[nH+]c(N2CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 ZINC000328594513 557021148 /nfs/dbraw/zinc/02/11/48/557021148.db2.gz PSMWHBJCQDKNMO-UHFFFAOYSA-N 0 1 443.503 4.492 50 30 IIEAMN CC(C)C[C@@H](C)N1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]Cc2ccc(F)cc2)CC1 ZINC000046022094 557021687 /nfs/dbraw/zinc/02/16/87/557021687.db2.gz HNVXPQJRUCFHQZ-LJQANCHMSA-N 0 1 440.563 4.353 50 30 IIEAMN CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)c(C#N)c1C ZINC000101141410 557261978 /nfs/dbraw/zinc/26/19/78/557261978.db2.gz WCTVDJYSNVPEOB-YBEGLDIGSA-N 0 1 428.901 4.477 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccnc3)ccc2O1 ZINC000102771216 557381636 /nfs/dbraw/zinc/38/16/36/557381636.db2.gz RQUDILXSBYUZPA-VAGBDARLSA-N 0 1 440.499 4.069 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102870473 557395610 /nfs/dbraw/zinc/39/56/10/557395610.db2.gz QSTVFYINJDHKMV-JBCNATCCSA-N 0 1 442.943 4.111 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)cc1C ZINC000102872772 557395823 /nfs/dbraw/zinc/39/58/23/557395823.db2.gz QWXYELGTFYIHIE-ZHHPLPSFSA-N 0 1 444.487 4.029 50 30 IIEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102863525 557403705 /nfs/dbraw/zinc/40/37/05/557403705.db2.gz FKMQZKBJSAGQST-MOBKVPTQSA-N 0 1 433.460 4.227 50 30 IIEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000102929271 557410894 /nfs/dbraw/zinc/41/08/94/557410894.db2.gz CCIKKUOHOOEKKN-HOGKFDNTSA-N 0 1 449.459 4.014 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000102886793 568621899 /nfs/dbraw/zinc/62/18/99/568621899.db2.gz RAZMYHTVZSPYBK-MRJHHRETSA-N 0 1 427.472 4.071 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccncc1 ZINC000008818340 568927259 /nfs/dbraw/zinc/92/72/59/568927259.db2.gz PYSANIVRAVCEND-JOCHJYFZSA-N 0 1 438.524 4.040 50 30 biogenic IIEAMN CCCOc1c(Cl)cc(C=CC(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1OC ZINC000009254087 569294834 /nfs/dbraw/zinc/29/48/34/569294834.db2.gz PHLAYPLZGVNWBR-LLYBFZRZSA-N 0 1 448.928 4.335 50 30 IIEAMN CCCOc1c(Cl)cc(C=CC(=O)OCC(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000009254087 569294835 /nfs/dbraw/zinc/29/48/35/569294835.db2.gz PHLAYPLZGVNWBR-LLYBFZRZSA-N 0 1 448.928 4.335 50 30 IIEAMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000328600775 569318111 /nfs/dbraw/zinc/31/81/11/569318111.db2.gz ZRXQCKBJCDXYNJ-GEQKSPFYSA-N 0 1 435.524 4.295 50 30 IIEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020229621 569357025 /nfs/dbraw/zinc/35/70/25/569357025.db2.gz DHAARLKISXOOJR-OAQYLSRUSA-N 0 1 442.943 4.267 50 30 IIEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC(C)C)cc1 ZINC000002481532 569404996 /nfs/dbraw/zinc/40/49/96/569404996.db2.gz DRTWMMHUKOCOOK-LJQANCHMSA-N 0 1 427.884 4.361 50 30 IIEAMN C=CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S ZINC000003030876 569437633 /nfs/dbraw/zinc/43/76/33/569437633.db2.gz SMDDYCUUJLSDCI-YHYXMXQVSA-N 0 1 435.162 4.304 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008817287 569476847 /nfs/dbraw/zinc/47/68/47/569476847.db2.gz MCMDLJITHOPZIG-DEOSSOPVSA-N 0 1 448.563 4.029 50 30 IIEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(SC)s2)c1 ZINC000009012618 569496527 /nfs/dbraw/zinc/49/65/27/569496527.db2.gz SSDRWJNQVQXXLK-OAHLLOKOSA-N 0 1 443.506 4.035 50 30 IIEAMN CCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000009272334 569517892 /nfs/dbraw/zinc/51/78/92/569517892.db2.gz LNTJULWESCSAFR-VBFAIDSNSA-N 0 1 429.517 4.477 50 30 IIEAMN C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000009328253 569522851 /nfs/dbraw/zinc/52/28/51/569522851.db2.gz NIZQTUZJGWZCMX-QHCPKHFHSA-N 0 1 432.520 4.081 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000009374295 569527129 /nfs/dbraw/zinc/52/71/29/569527129.db2.gz DBDQCAIEDVZWHN-PEBXRYMYSA-N 0 1 431.444 4.087 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1 ZINC000009425158 569533122 /nfs/dbraw/zinc/53/31/22/569533122.db2.gz CLBCFBMNBQOAHA-QFIPXVFZSA-N 0 1 447.512 4.340 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccs1 ZINC000009425157 569533149 /nfs/dbraw/zinc/53/31/49/569533149.db2.gz CLBCFBMNBQOAHA-JOCHJYFZSA-N 0 1 447.512 4.340 50 30 IIEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nnc(SC)s2)cc1 ZINC000009446799 569535919 /nfs/dbraw/zinc/53/59/19/569535919.db2.gz CNMIHFASXYGTHU-INIZCTEOSA-N 0 1 439.518 4.052 50 30 IIEAMN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCC(C)CC1 ZINC000035991749 518839924 /nfs/dbraw/zinc/83/99/24/518839924.db2.gz HSVYSBYAVIIEMZ-NRFANRHFSA-N 0 1 431.964 4.141 50 30 IIEAMN CN(C)[C@H](CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1cccnc1)c1cccs1 ZINC000020589285 522068360 /nfs/dbraw/zinc/06/83/60/522068360.db2.gz IGVJVLUENUGMHX-WIYYLYMNSA-N 0 1 433.533 4.024 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(F)c2)cc1F ZINC000013691772 523562340 /nfs/dbraw/zinc/56/23/40/523562340.db2.gz MCRISMIJZQCGSP-NRFANRHFSA-N 0 1 436.414 4.147 50 30 IIEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1C[C@@H]1CCCO1 ZINC000009135670 524746617 /nfs/dbraw/zinc/74/66/17/524746617.db2.gz OILZEDGUVUMCQU-OXJNMPFZSA-N 0 1 427.884 4.106 50 30 IIEAMN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102892445 525981539 /nfs/dbraw/zinc/98/15/39/525981539.db2.gz FIHPKVIXYRLVGH-NXLSWJSLSA-N 0 1 441.483 4.388 50 30 IIEAMN COc1cc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000000625900 555512617 /nfs/dbraw/zinc/51/26/17/555512617.db2.gz NKOQGSBHIYYSRF-NMXNWIABSA-N 0 1 431.444 4.172 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2ccc(O)cc2)o1 ZINC000000799377 555558957 /nfs/dbraw/zinc/55/89/57/555558957.db2.gz LWHCFIGCJRCNEK-MRXNPFEDSA-N 0 1 425.466 4.051 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001097805 555628028 /nfs/dbraw/zinc/62/80/28/555628028.db2.gz ARQRRBMRABKRAX-NRFANRHFSA-N 0 1 429.432 4.077 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001097806 555628124 /nfs/dbraw/zinc/62/81/24/555628124.db2.gz ARQRRBMRABKRAX-OAQYLSRUSA-N 0 1 429.432 4.077 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001118527 555635892 /nfs/dbraw/zinc/63/58/92/555635892.db2.gz QWMDKCDBIFSBFN-NRFANRHFSA-N 0 1 448.431 4.365 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 ZINC000008996512 556239958 /nfs/dbraw/zinc/23/99/58/556239958.db2.gz FZKGSOYTPBXNSO-JOCHJYFZSA-N 0 1 429.476 4.042 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000009013974 556241355 /nfs/dbraw/zinc/24/13/55/556241355.db2.gz QQYRAEHJALHKEE-HNNXBMFYSA-N 0 1 427.482 4.182 50 30 IIEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)ccc1O ZINC000009763877 556308620 /nfs/dbraw/zinc/30/86/20/556308620.db2.gz HXWZUXUXGWBLBQ-HXUWFJFHSA-N 0 1 436.851 4.232 50 30 IIEAMN N#CC(c1nc2ccccc2nc1NCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000032828667 556412915 /nfs/dbraw/zinc/41/29/15/556412915.db2.gz NKHFIHDAQIRZTA-NRFANRHFSA-N 0 1 432.480 4.420 50 30 IIEAMN N#C[C@H](C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1 ZINC000032682227 556426716 /nfs/dbraw/zinc/42/67/16/556426716.db2.gz YWZOVAFQUUWUJT-INIZCTEOSA-N 0 1 429.860 4.165 50 30 IIEAMN C=CCOc1c(Br)cc(C=Nn2c(CC)n[nH]c2=S)cc1Br ZINC000015985716 556571208 /nfs/dbraw/zinc/57/12/08/556571208.db2.gz KNBJCOHPCICVQA-CAOOACKPSA-N 0 1 446.168 4.475 50 30 IIEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCO)[C@H]2c2cccc(Cl)c2)cc1 ZINC000016737236 556633955 /nfs/dbraw/zinc/63/39/55/556633955.db2.gz PQMAJEBLJSTXNR-FQEVSTJZSA-N 0 1 429.900 4.090 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1F ZINC000016805567 556643327 /nfs/dbraw/zinc/64/33/27/556643327.db2.gz WTRRYXPNNFGTTD-FQEVSTJZSA-N 0 1 436.395 4.414 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000018086430 556683354 /nfs/dbraw/zinc/68/33/54/556683354.db2.gz NBSYUHWBMVOGQB-LJQANCHMSA-N 0 1 435.823 4.426 50 30 IIEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000019884170 556937917 /nfs/dbraw/zinc/93/79/17/556937917.db2.gz CFRFEQZUOXZHKJ-GOSISDBHSA-N 0 1 437.298 4.272 50 30 IIEAMN Cc1ccc(C[NH+]=C(Nc2cccc(C(=O)[O-])c2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000046021969 557021609 /nfs/dbraw/zinc/02/16/09/557021609.db2.gz WVMANEHMGLAPHI-UHFFFAOYSA-N 0 1 434.584 4.421 50 30 IIEAMN CC(C)C[C@H](C)N1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]Cc2ccc(F)cc2)CC1 ZINC000046022096 557021671 /nfs/dbraw/zinc/02/16/71/557021671.db2.gz HNVXPQJRUCFHQZ-IBGZPJMESA-N 0 1 440.563 4.353 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 ZINC000008857967 557124568 /nfs/dbraw/zinc/12/45/68/557124568.db2.gz KUUCUYPCPMGLTR-QHCPKHFHSA-N 0 1 426.472 4.425 50 30 IIEAMN O=C(c1cccs1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(Br)cc1 ZINC000101069978 557223687 /nfs/dbraw/zinc/22/36/87/557223687.db2.gz LXWSVPRYNODBAU-SQUHQTGPSA-N 0 1 448.338 4.111 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1 ZINC000101288231 557268643 /nfs/dbraw/zinc/26/86/43/557268643.db2.gz VMUWWNDWSDNALK-JBCNATCCSA-N 0 1 432.501 4.330 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Br)c1 ZINC000102490246 557332273 /nfs/dbraw/zinc/33/22/73/557332273.db2.gz OIGUVAWKYWJRCC-LFVOPCPISA-N 0 1 444.325 4.216 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102600657 557357845 /nfs/dbraw/zinc/35/78/45/557357845.db2.gz KSAVKERUYVHXDR-MRJHHRETSA-N 0 1 448.431 4.208 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102648820 557361220 /nfs/dbraw/zinc/36/12/20/557361220.db2.gz GOQSEFGMJBWLTD-CQFCTDAOSA-N 0 1 435.520 4.419 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102856808 557398593 /nfs/dbraw/zinc/39/85/93/557398593.db2.gz YDIRQFHECVUFTQ-UYTDBDHRSA-N 0 1 441.852 4.331 50 30 IIEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000102858200 557399135 /nfs/dbraw/zinc/39/91/35/557399135.db2.gz LSTIYOXTSWLBEL-MRJHHRETSA-N 0 1 442.943 4.112 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102862348 557402919 /nfs/dbraw/zinc/40/29/19/557402919.db2.gz VOGGFPZRWWSBAY-YDJIHCHBSA-N 0 1 445.387 4.129 50 30 IIEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000102930231 557413992 /nfs/dbraw/zinc/41/39/92/557413992.db2.gz PUQNLMLZTOVREG-WOOAAIBNSA-N 0 1 441.597 4.041 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(C)C)cc1 ZINC000104004210 557448729 /nfs/dbraw/zinc/44/87/29/557448729.db2.gz RNWYSBXRUAHDAY-LEQIOXTRSA-N 0 1 435.520 4.202 50 30 IIEAMN CCN(CC)c1nc2nc(C)[nH]c3nc4c(c(c1C#N)c23)CC(=O)N4c1ccc(Cl)cc1 ZINC000003307992 562933996 /nfs/dbraw/zinc/93/39/96/562933996.db2.gz CGZYYWMJXKCNRX-UHFFFAOYSA-N 0 1 445.914 4.407 50 30 IIEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000004008748 568803644 /nfs/dbraw/zinc/80/36/44/568803644.db2.gz FRIIQROATIRGLM-JOCHJYFZSA-N 0 1 432.455 4.036 50 30 IIEAMN COc1cccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1OC ZINC000016620871 568926355 /nfs/dbraw/zinc/92/63/55/568926355.db2.gz DASMKRWCEIURFW-UHFFFAOYSA-N 0 1 427.570 4.366 50 30 IIEAMN O=C(Nc1ccc2c(c1)CCC2)N1CC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1 ZINC000096310036 569392614 /nfs/dbraw/zinc/39/26/14/569392614.db2.gz TURRDHKZTDKVEG-VWLOTQADSA-N 0 1 430.556 4.425 50 30 biogenic IIEAMN CCOc1ccccc1OCc1cc(C=Nn2c(=S)[nH]nc2C(F)F)ccc1OC ZINC000002792505 569421892 /nfs/dbraw/zinc/42/18/92/569421892.db2.gz ZTTGSXQTOUSXAY-FOKLQQMPSA-N 0 1 434.468 4.373 50 30 IIEAMN C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000008425124 569464155 /nfs/dbraw/zinc/46/41/55/569464155.db2.gz WKIVRIKIDBRFAQ-YBEGLDIGSA-N 0 1 431.275 4.220 50 30 IIEAMN CSc1nsc(N=NCc2cc(Br)cc(Br)c2O)c1C#N ZINC000008826764 569477577 /nfs/dbraw/zinc/47/75/77/569477577.db2.gz LJIAUAQUKINYIE-FZSIALSZSA-N 0 1 448.165 4.413 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1Cl ZINC000008827797 569477681 /nfs/dbraw/zinc/47/76/81/569477681.db2.gz QUGUGMSPGSZCAG-LJQANCHMSA-N 0 1 440.839 4.134 50 30 IIEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)s1 ZINC000009046623 569498403 /nfs/dbraw/zinc/49/84/03/569498403.db2.gz AFLFPIGDTFTYJF-IBGZPJMESA-N 0 1 441.597 4.197 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000009076486 569500291 /nfs/dbraw/zinc/50/02/91/569500291.db2.gz IQHKJEBSCMDGCK-NRFANRHFSA-N 0 1 448.431 4.365 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccncc3)ccc2O1 ZINC000009312732 569521933 /nfs/dbraw/zinc/52/19/33/569521933.db2.gz CZTOUKJMMVXJQF-QMHKHESXSA-N 0 1 426.472 4.184 50 30 IIEAMN N=C(Cc1cccc2ccccc21)NOC(=O)c1cccc(I)c1 ZINC000009347883 569524315 /nfs/dbraw/zinc/52/43/15/569524315.db2.gz ZGFQEIULZSJGKA-UHFFFAOYSA-N 0 1 430.245 4.116 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009353621 569524985 /nfs/dbraw/zinc/52/49/85/569524985.db2.gz BJRIOQOUSUEXAG-HJPURHCSSA-N 0 1 435.520 4.358 50 30 biogenic IIEAMN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nnc(SC)s2)c1 ZINC000009541428 569545924 /nfs/dbraw/zinc/54/59/24/569545924.db2.gz KXKQCJRHOHFADG-MRXNPFEDSA-N 0 1 439.518 4.052 50 30 IIEAMN CC(=NNC(=N)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)c1cccs1 ZINC000018143805 518460120 /nfs/dbraw/zinc/46/01/20/518460120.db2.gz URBMKPBTNIPICZ-SCDDIDHTSA-N 0 1 441.365 4.159 50 30 IIEAMN C=CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000036146587 518989427 /nfs/dbraw/zinc/98/94/27/518989427.db2.gz JMINTAAOYOSRBR-XZOQPEGZSA-N 0 1 428.960 4.207 50 30 IIEAMN C=CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)c1 ZINC000008845143 519059650 /nfs/dbraw/zinc/05/96/50/519059650.db2.gz JSLLQTDLQPHBKL-RUZDIDTESA-N 0 1 438.487 4.488 50 30 IIEAMN C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(OCC)c1O ZINC000038177326 519125975 /nfs/dbraw/zinc/12/59/75/519125975.db2.gz CETFHMMEJYDZHD-VBKFSLOCSA-N 0 1 438.505 4.200 50 30 IIEAMN CN(C)[C@H](CN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccncc1)c1cccs1 ZINC000020573467 522068556 /nfs/dbraw/zinc/06/85/56/522068556.db2.gz IIIJOUVCTJMMOQ-NQIIRXRSSA-N 0 1 433.533 4.024 50 30 IIEAMN COC(=O)c1sccc1NN=Cc1cc(Br)cc(Br)c1O ZINC000020615379 522441697 /nfs/dbraw/zinc/44/16/97/522441697.db2.gz QUEJKBJPIQIQCG-OMCISZLKSA-N 0 1 434.109 4.211 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000013686249 523561508 /nfs/dbraw/zinc/56/15/08/523561508.db2.gz JVCAOEWCEHYKOC-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN COCCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Cl)cc1 ZINC000009662076 523791386 /nfs/dbraw/zinc/79/13/86/523791386.db2.gz VWLXWRDIXRVKAR-LJQANCHMSA-N 0 1 441.867 4.320 50 30 IIEAMN COc1ccc(CCc2nnc(NC(=O)Cc3c(C)nn(-c4ccccc4)c3C)[nH]2)cc1 ZINC000095472251 523985375 /nfs/dbraw/zinc/98/53/75/523985375.db2.gz WPKOUMXPETVLQF-UHFFFAOYSA-N 0 1 430.512 4.232 50 30 IIEAMN COc1ccc(CCc2n[nH]c(NC(=O)Cc3c(C)nn(-c4ccccc4)c3C)n2)cc1 ZINC000095472251 523985379 /nfs/dbraw/zinc/98/53/79/523985379.db2.gz WPKOUMXPETVLQF-UHFFFAOYSA-N 0 1 430.512 4.232 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000001165798 526024114 /nfs/dbraw/zinc/02/41/14/526024114.db2.gz DDGAECHBSBZSPR-QHCPKHFHSA-N 0 1 427.504 4.235 50 30 IIEAMN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000013688460 526485258 /nfs/dbraw/zinc/48/52/58/526485258.db2.gz ZDXLPPAAHYXDHQ-QFIPXVFZSA-N 0 1 430.508 4.323 50 30 IIEAMN N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000002400405 526498558 /nfs/dbraw/zinc/49/85/58/526498558.db2.gz VXQQIPHLCWDMSP-IBGZPJMESA-N 0 1 426.929 4.312 50 30 IIEAMN O=C(NCc1ccc(F)cc1)N1CC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000096309989 526672113 /nfs/dbraw/zinc/67/21/13/526672113.db2.gz SLOCPPVDBCLPPR-RUZDIDTESA-N 0 1 444.514 4.011 50 30 biogenic IIEAMN CCOc1cccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2cccc(OC)c2)c1 ZINC000000702426 555542837 /nfs/dbraw/zinc/54/28/37/555542837.db2.gz YCOFZYIAUVQUFX-QHCPKHFHSA-N 0 1 444.487 4.267 50 30 IIEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(O)cc2)c1 ZINC000000702433 555543263 /nfs/dbraw/zinc/54/32/63/555543263.db2.gz XTLUCMJDLVMQAY-QHCPKHFHSA-N 0 1 429.472 4.222 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000860880 555572021 /nfs/dbraw/zinc/57/20/21/555572021.db2.gz WWPQPVJDABGFER-IBGZPJMESA-N 0 1 435.823 4.426 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1 ZINC000009042049 556241977 /nfs/dbraw/zinc/24/19/77/556241977.db2.gz CDCLIPISBUIMLF-HSZRJFAPSA-N 0 1 444.487 4.186 50 30 IIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009236441 556263791 /nfs/dbraw/zinc/26/37/91/556263791.db2.gz ZEFKGLOCUJHFKV-HSZRJFAPSA-N 0 1 443.503 4.117 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000016731798 556631541 /nfs/dbraw/zinc/63/15/41/556631541.db2.gz LMMAYHODLTYRCS-FQEVSTJZSA-N 0 1 429.900 4.272 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2OC)c(C)c1 ZINC000017122511 556668458 /nfs/dbraw/zinc/66/84/58/556668458.db2.gz PBOMRUUEXZWJON-HSZRJFAPSA-N 0 1 444.487 4.186 50 30 biogenic IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000020230291 557001758 /nfs/dbraw/zinc/00/17/58/557001758.db2.gz XKSGIQXTUFNZBO-LJQANCHMSA-N 0 1 449.334 4.142 50 30 IIEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000020230291 557001759 /nfs/dbraw/zinc/00/17/59/557001759.db2.gz XKSGIQXTUFNZBO-LJQANCHMSA-N 0 1 449.334 4.142 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024116250 557138124 /nfs/dbraw/zinc/13/81/24/557138124.db2.gz QBYHSEIRQGQYSA-HSZRJFAPSA-N 0 1 434.536 4.008 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1C ZINC000024116250 557138125 /nfs/dbraw/zinc/13/81/25/557138125.db2.gz QBYHSEIRQGQYSA-HSZRJFAPSA-N 0 1 434.536 4.008 50 30 IIEAMN CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1 ZINC000100822373 557188423 /nfs/dbraw/zinc/18/84/23/557188423.db2.gz CROXSUJZMYJLQH-ROMGYVFFSA-N 0 1 448.500 4.161 50 30 IIEAMN Cc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(O)cc3)C(=O)c3ccccc32)c(C)c1 ZINC000100822363 557188451 /nfs/dbraw/zinc/18/84/51/557188451.db2.gz MWMLLBVCAVJAIA-QLYXXIJNSA-N 0 1 432.501 4.379 50 30 IIEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000026533464 557243478 /nfs/dbraw/zinc/24/34/78/557243478.db2.gz UGBUYVCJJXJSOO-QGZVFWFLSA-N 0 1 439.424 4.282 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccccc2F)cc1 ZINC000101288040 557268305 /nfs/dbraw/zinc/26/83/05/557268305.db2.gz PILJPTYWYSDKLE-LFVOPCPISA-N 0 1 436.464 4.473 50 30 IIEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000101314123 557272619 /nfs/dbraw/zinc/27/26/19/557272619.db2.gz NDSKYNHXCCMQEO-JBCNATCCSA-N 0 1 432.501 4.330 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102530268 557342306 /nfs/dbraw/zinc/34/23/06/557342306.db2.gz GOQSEFGMJBWLTD-YKGCWQKYSA-N 0 1 435.520 4.419 50 30 IIEAMN CCSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(CC)cc2)s1 ZINC000102598850 557357532 /nfs/dbraw/zinc/35/75/32/557357532.db2.gz GKKAINGIFXYHHE-IBOXJLQUSA-N 0 1 441.534 4.432 50 30 IIEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102735108 557372432 /nfs/dbraw/zinc/37/24/32/557372432.db2.gz DQSWCOQEVIDKDJ-IYGWJSLMSA-N 0 1 448.563 4.117 50 30 IIEAMN COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1nnc(C(C)C)s1 ZINC000102753336 557383448 /nfs/dbraw/zinc/38/34/48/557383448.db2.gz OSSMYYWFZMFKQU-IBOXJLQUSA-N 0 1 441.534 4.358 50 30 IIEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102861575 557402183 /nfs/dbraw/zinc/40/21/83/557402183.db2.gz WGLXFRMYMIUOGA-NHFXJNLRSA-N 0 1 449.850 4.265 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C)cc2)s1 ZINC000009540927 562973085 /nfs/dbraw/zinc/97/30/85/562973085.db2.gz KNWRADJWCACUPH-HNNXBMFYSA-N 0 1 427.507 4.253 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1F ZINC000016729323 568792346 /nfs/dbraw/zinc/79/23/46/568792346.db2.gz MSOYSQGXDAKJIE-OAQYLSRUSA-N 0 1 436.414 4.147 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000016731083 568792575 /nfs/dbraw/zinc/79/25/75/568792575.db2.gz JIOKVSIHJQUOGP-NRFANRHFSA-N 0 1 447.422 4.216 50 30 IIEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000017161277 569175178 /nfs/dbraw/zinc/17/51/78/569175178.db2.gz JBDLBXQDNHNLDM-LJQANCHMSA-N 0 1 427.570 4.023 50 30 IIEAMN Cc1cc([O-])c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Cl)c2)cc1C ZINC000020310090 569360123 /nfs/dbraw/zinc/36/01/23/569360123.db2.gz NKCNKEQLKCLQFB-OAQYLSRUSA-N 0 1 442.943 4.192 50 30 IIEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccnc3)sc2c1 ZINC000027988071 569405300 /nfs/dbraw/zinc/40/53/00/569405300.db2.gz LWFYIVQCIDOKTR-IBGZPJMESA-N 0 1 447.472 4.384 50 30 IIEAMN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008817050 569476839 /nfs/dbraw/zinc/47/68/39/569476839.db2.gz RKDIBWHGAVQJQY-HSZRJFAPSA-N 0 1 445.519 4.339 50 30 IIEAMN C=CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000008845430 569478789 /nfs/dbraw/zinc/47/87/89/569478789.db2.gz VKPGLGJXIRYPSS-VWLOTQADSA-N 0 1 438.487 4.488 50 30 IIEAMN Oc1ccc2ccccc2c1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCCCC2)n1 ZINC000008872273 569480943 /nfs/dbraw/zinc/48/09/43/569480943.db2.gz SCFBWUWJHARKJD-KOEQRZSOSA-N 0 1 431.544 4.157 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000008996769 569495920 /nfs/dbraw/zinc/49/59/20/569495920.db2.gz WSTSGIGACVNTSC-FQEVSTJZSA-N 0 1 445.387 4.420 50 30 IIEAMN C=CCN1c2ccc(NS(=O)(=O)c3cc(C)ccc3OCC)cc2OCC(C)(C)C1=O ZINC000009167116 569509035 /nfs/dbraw/zinc/50/90/35/569509035.db2.gz HSKCOUPTBGYHQC-UHFFFAOYSA-N 0 1 444.553 4.132 50 30 IIEAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(C#N)cc1 ZINC000009255783 569516621 /nfs/dbraw/zinc/51/66/21/569516621.db2.gz PWRJEKUSIAMECT-NSHDSACASA-N 0 1 428.315 4.225 50 30 IIEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Cl)c1 ZINC000009313107 569521964 /nfs/dbraw/zinc/52/19/64/569521964.db2.gz VEIUVTUDKWHEIA-SZNDQCEHSA-N 0 1 441.911 4.278 50 30 IIEAMN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c1C#N ZINC000009338307 569523633 /nfs/dbraw/zinc/52/36/33/569523633.db2.gz FKDQSKRZLDBCPO-HNNXBMFYSA-N 0 1 443.960 4.416 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000009436830 569534898 /nfs/dbraw/zinc/53/48/98/569534898.db2.gz VLEQENWTEONWLD-HXUWFJFHSA-N 0 1 445.387 4.286 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102870472 519778213 /nfs/dbraw/zinc/77/82/13/519778213.db2.gz QSTVFYINJDHKMV-MRJHHRETSA-N 0 1 442.943 4.111 50 30 IIEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccnc3)oc21 ZINC000013067909 524256575 /nfs/dbraw/zinc/25/65/75/524256575.db2.gz QDRADAWVHBJQHB-FQEVSTJZSA-N 0 1 430.416 4.208 50 30 IIEAMN COc1cccc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccnc3)oc21 ZINC000013067911 524257113 /nfs/dbraw/zinc/25/71/13/524257113.db2.gz QDRADAWVHBJQHB-HXUWFJFHSA-N 0 1 430.416 4.208 50 30 IIEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000008663459 525222464 /nfs/dbraw/zinc/22/24/64/525222464.db2.gz SZCYWZOUDYGDRY-JOCHJYFZSA-N 0 1 448.450 4.016 50 30 IIEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccs3)ccc2O1 ZINC000008383491 556159107 /nfs/dbraw/zinc/15/91/07/556159107.db2.gz BCKMJNNFKZTVJX-LHSJRXKWSA-N 0 1 432.501 4.245 50 30 IIEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1 ZINC000008738338 556205089 /nfs/dbraw/zinc/20/50/89/556205089.db2.gz SIQGSJBSHNMKJV-QFIPXVFZSA-N 0 1 429.476 4.042 50 30 IIEAMN Cc1cc(C)nc(N=C(NCc2cccnc2)NC(=S)Nc2cccc(Cl)c2C)n1 ZINC000008776552 556214261 /nfs/dbraw/zinc/21/42/61/556214261.db2.gz NFAAWDYSPQEQCO-UHFFFAOYSA-N 0 1 439.976 4.405 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2F)cc1 ZINC000008904697 556231626 /nfs/dbraw/zinc/23/16/26/556231626.db2.gz OIMBVRRGQOVULS-SFHVURJKSA-N 0 1 439.468 4.167 50 30 IIEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000009380314 556287102 /nfs/dbraw/zinc/28/71/02/556287102.db2.gz JLCDKIYWKZEKPV-QFIPXVFZSA-N 0 1 439.508 4.017 50 30 IIEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccs2)cc1C ZINC000009380424 556287213 /nfs/dbraw/zinc/28/72/13/556287213.db2.gz MNAUVGBVSHGTDW-HXUWFJFHSA-N 0 1 429.538 4.460 50 30 IIEAMN CCOc1cc(C=NNC2=NC(=O)CS2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000009805506 556309389 /nfs/dbraw/zinc/30/93/89/556309389.db2.gz NBIYOHWQBWDERK-ZMOGYAJESA-N 0 1 439.537 4.155 50 30 IIEAMN N#C[C@@H](C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccn1 ZINC000032682229 556426779 /nfs/dbraw/zinc/42/67/79/556426779.db2.gz YWZOVAFQUUWUJT-MRXNPFEDSA-N 0 1 429.860 4.165 50 30 IIEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000013122435 556474824 /nfs/dbraw/zinc/47/48/24/556474824.db2.gz WFZJDTQWEQDHNX-DEOSSOPVSA-N 0 1 448.563 4.111 50 30 IIEAMN COc1cc([C@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2Cc2ccco2)ccc1O ZINC000033679080 556621072 /nfs/dbraw/zinc/62/10/72/556621072.db2.gz NKOQGSBHIYYSRF-IDWGIVCRSA-N 0 1 431.444 4.172 50 30 IIEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(F)cc2)cc1 ZINC000016732416 556631559 /nfs/dbraw/zinc/63/15/59/556631559.db2.gz WPOPLVJMHBZLRU-IRLDBZIGSA-N 0 1 437.467 4.148 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000016731795 556631662 /nfs/dbraw/zinc/63/16/62/556631662.db2.gz LMMAYHODLTYRCS-HXUWFJFHSA-N 0 1 429.900 4.272 50 30 IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(F)c2)cc1 ZINC000016733179 556632265 /nfs/dbraw/zinc/63/22/65/556632265.db2.gz BZIGDSLGKFUHQL-UNMCSNQZSA-N 0 1 437.467 4.148 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1Cl ZINC000016733459 556632422 /nfs/dbraw/zinc/63/24/22/556632422.db2.gz NXLSENUSKKQFIW-HXUWFJFHSA-N 0 1 446.906 4.018 50 30 IIEAMN C=CCOc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1 ZINC000020193032 556996928 /nfs/dbraw/zinc/99/69/28/556996928.db2.gz HOOXIYLSMVJTOX-QHCPKHFHSA-N 0 1 446.503 4.138 50 30 IIEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000024081321 557135547 /nfs/dbraw/zinc/13/55/47/557135547.db2.gz UMCSJORYPAJVRJ-OAQYLSRUSA-N 0 1 442.943 4.187 50 30 IIEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000024081321 557135552 /nfs/dbraw/zinc/13/55/52/557135552.db2.gz UMCSJORYPAJVRJ-OAQYLSRUSA-N 0 1 442.943 4.187 50 30 IIEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Br)c2)no1 ZINC000101101624 557255665 /nfs/dbraw/zinc/25/56/65/557255665.db2.gz XSTIFXQJQKDGJX-SELCWUDQSA-N 0 1 439.265 4.372 50 30 IIEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101293975 557269551 /nfs/dbraw/zinc/26/95/51/557269551.db2.gz PJXOLTKUXISACD-MRJHHRETSA-N 0 1 434.423 4.313 50 30 IIEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000101293973 557269601 /nfs/dbraw/zinc/26/96/01/557269601.db2.gz PJXOLTKUXISACD-JBCNATCCSA-N 0 1 434.423 4.313 50 30 IIEAMN CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102574967 557354841 /nfs/dbraw/zinc/35/48/41/557354841.db2.gz CYWIMIWWWFYQMN-IDTYTIONSA-N 0 1 427.482 4.025 50 30 IIEAMN CSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102574967 557354843 /nfs/dbraw/zinc/35/48/43/557354843.db2.gz CYWIMIWWWFYQMN-IDTYTIONSA-N 0 1 427.482 4.025 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102600652 557357810 /nfs/dbraw/zinc/35/78/10/557357810.db2.gz KSAVKERUYVHXDR-JBCNATCCSA-N 0 1 448.431 4.208 50 30 IIEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102553754 557358632 /nfs/dbraw/zinc/35/86/32/557358632.db2.gz PADMGSHDVBSMCQ-QJGVGSKSSA-N 0 1 436.464 4.232 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1 ZINC000102885827 557409312 /nfs/dbraw/zinc/40/93/12/557409312.db2.gz XAQMSBZBCBDDOU-SBXHHDGASA-N 0 1 441.483 4.122 50 30 IIEAMN O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000104128733 557451106 /nfs/dbraw/zinc/45/11/06/557451106.db2.gz WUMHETUVXCHIHB-MRJHHRETSA-N 0 1 432.407 4.356 50 30 IIEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009360438 562969641 /nfs/dbraw/zinc/96/96/41/562969641.db2.gz BBYYBKZUNWZEDW-HXUWFJFHSA-N 0 1 438.436 4.075 50 30 IIEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000016731080 568792524 /nfs/dbraw/zinc/79/25/24/568792524.db2.gz JIOKVSIHJQUOGP-OAQYLSRUSA-N 0 1 447.422 4.216 50 30 IIEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2cc(Br)c(O)c(OC)c2)cc1 ZINC000001479036 568824116 /nfs/dbraw/zinc/82/41/16/568824116.db2.gz HQKTUDOVOIFOQA-KEBDBYFISA-N 0 1 449.330 4.365 50 30 IIEAMN C=CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000002076520 568834481 /nfs/dbraw/zinc/83/44/81/568834481.db2.gz OQLFWESPPKAYLW-KAMYIIQDSA-N 0 1 433.316 4.390 50 30 IIEAMN CCOC(=O)c1c(NC(=O)C(O)=CC(=O)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000020156412 569353744 /nfs/dbraw/zinc/35/37/44/569353744.db2.gz HBEJNMIGXUJBLG-ATVHPVEESA-N 0 1 429.494 4.076 50 30 IIEAMN Cn1nc(C(F)(F)F)c(C#N)c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020388976 569363337 /nfs/dbraw/zinc/36/33/37/569363337.db2.gz AHIUZUVXOHJJRI-UHFFFAOYSA-N 0 1 425.458 4.222 50 30 IIEAMN COc1ccc(NC(=O)N2CC[C@]3(C2)Nc2cccnc2N=C3NC2CCCC2)c(C)c1 ZINC000096310041 569392594 /nfs/dbraw/zinc/39/25/94/569392594.db2.gz DQMLSXLYRQJMQV-XMMPIXPASA-N 0 1 434.544 4.254 50 30 biogenic IIEAMN COc1ccc(NC(=O)N2CC[C@@]3(C2)Nc2cccnc2N=C3NC2CCCC2)c(C)c1 ZINC000096310042 569392634 /nfs/dbraw/zinc/39/26/34/569392634.db2.gz DQMLSXLYRQJMQV-DEOSSOPVSA-N 0 1 434.544 4.254 50 30 biogenic IIEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1 ZINC000009009000 569496333 /nfs/dbraw/zinc/49/63/33/569496333.db2.gz QXUXGACSTRYEJZ-NRFANRHFSA-N 0 1 432.501 4.486 50 30 IIEAMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccc(N(C)C)cc1 ZINC000009013378 569496615 /nfs/dbraw/zinc/49/66/15/569496615.db2.gz WBSBZLMPWBYEQL-RGVLZGJSSA-N 0 1 432.347 4.327 50 30 IIEAMN N#Cc1c(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000009042022 569497719 /nfs/dbraw/zinc/49/77/19/569497719.db2.gz RCBPFHBBCANYKI-UHFFFAOYSA-N 0 1 441.310 4.214 50 30 IIEAMN C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(C#N)cc1 ZINC000009255787 569516628 /nfs/dbraw/zinc/51/66/28/569516628.db2.gz PWRJEKUSIAMECT-LLVKDONJSA-N 0 1 428.315 4.225 50 30 IIEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009272131 569517879 /nfs/dbraw/zinc/51/78/79/569517879.db2.gz PRANUAYPOZYICI-JOCHJYFZSA-N 0 1 449.459 4.084 50 30 IIEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccs1 ZINC000009453524 569536570 /nfs/dbraw/zinc/53/65/70/569536570.db2.gz QWTGSPXRODIELI-OAQYLSRUSA-N 0 1 433.485 4.298 50 30 IIEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000009763871 569566681 /nfs/dbraw/zinc/56/66/81/569566681.db2.gz BOVOSWFKSVKQMJ-LJQANCHMSA-N 0 1 435.823 4.426 50 30 IIEAMN