smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CCCN1C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000177674132 1081515988 /nfs/dbraw/zinc/51/59/88/1081515988.db2.gz KYNHZLFABDWQCL-UHFFFAOYSA-N 0 3 350.462 4.066 50 0 FIAAHN CCn1nc([C@H]2CCCCN2CCCc2ccccc2)c2c1CCOC2 ZINC000675010511 1090883609 /nfs/dbraw/zinc/88/36/09/1090883609.db2.gz HHCPJTJAZHWYPA-OAQYLSRUSA-N 0 3 353.510 4.136 50 0 FIAAHN CCOC(=O)C1CCN(CCCOc2ccccc2-c2ccccc2)CC1 ZINC000006704053 1091934971 /nfs/dbraw/zinc/93/49/71/1091934971.db2.gz QQASGMPZGWUPRH-UHFFFAOYSA-N 0 3 367.489 4.398 50 0 FIAAHN O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000025946755 1105200343 /nfs/dbraw/zinc/20/03/43/1105200343.db2.gz PKWQUAXQJGBREJ-UHFFFAOYSA-N 0 3 370.880 4.264 50 0 FIAAHN O=C(c1ccc(CN2CCCC2)cc1)c1ccc(Br)c(F)c1 ZINC000002514571 204042036 /nfs/dbraw/zinc/04/20/36/204042036.db2.gz RXQPDCXZQPJJDI-UHFFFAOYSA-N 0 3 362.242 4.415 50 0 FIAAHN O=C(CCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000001579717 204014007 /nfs/dbraw/zinc/01/40/07/204014007.db2.gz ICAYNKLSQSKOJZ-QFIPXVFZSA-N 0 3 373.443 4.373 50 0 FIAAHN CCOC(=O)c1ccccc1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000002514499 204042723 /nfs/dbraw/zinc/04/27/23/204042723.db2.gz GEAYCUMGIOIRRH-UHFFFAOYSA-N 0 3 351.446 4.080 50 0 FIAAHN S=C(Nc1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000003286780 204088297 /nfs/dbraw/zinc/08/82/97/204088297.db2.gz WSCOEDVASNROQD-UHFFFAOYSA-N 0 3 359.926 4.291 50 0 FIAAHN CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(cc(C)cc2C)s1 ZINC000004359498 204135365 /nfs/dbraw/zinc/13/53/65/204135365.db2.gz LOXBABORQJZELA-UHFFFAOYSA-N 0 3 371.506 4.495 50 0 FIAAHN CCN(CC)CCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000005324524 204203639 /nfs/dbraw/zinc/20/36/39/204203639.db2.gz DQPJZVRLFIUIIV-UHFFFAOYSA-N 0 3 371.550 4.429 50 0 FIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000004898829 204173503 /nfs/dbraw/zinc/17/35/03/204173503.db2.gz MZXLADZDUIOTCA-NRFANRHFSA-N 0 3 361.489 4.432 50 0 FIAAHN CC(C)(C)NCC(=O)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2 ZINC000006159251 204240012 /nfs/dbraw/zinc/24/00/12/204240012.db2.gz WJKZSVABHUQIMV-UHFFFAOYSA-N 0 3 374.488 4.256 50 0 FIAAHN O=C(c1ccc(Cl)s1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006741776 204265013 /nfs/dbraw/zinc/26/50/13/204265013.db2.gz UWZUINBUPNHDNI-UHFFFAOYSA-N 0 3 364.942 4.128 50 0 FIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1F ZINC000007941462 204311847 /nfs/dbraw/zinc/31/18/47/204311847.db2.gz RMNPBJYABBKDDR-UHFFFAOYSA-N 0 3 360.860 4.395 50 0 FIAAHN Cc1ccc(CN2CC[C@H](CNC(=O)Nc3cccc(C)c3C)C2)cc1 ZINC000008614014 204335897 /nfs/dbraw/zinc/33/58/97/204335897.db2.gz QYCDHOMGRPUYGX-HXUWFJFHSA-N 0 3 351.494 4.255 50 0 FIAAHN C[C@@H]1CCC[C@H](N2CCN(Cc3ccccc3Br)CC2)C1 ZINC000019362933 204680662 /nfs/dbraw/zinc/68/06/62/204680662.db2.gz YKBXEVRDBOQIHE-WBVHZDCISA-N 0 3 351.332 4.145 50 0 FIAAHN CC(C)=CCN1CCN(Cc2cn(C(C)C)c3ccccc23)C[C@H]1CCO ZINC000036379389 205013696 /nfs/dbraw/zinc/01/36/96/205013696.db2.gz XZNLTPCHZDIQHW-OAQYLSRUSA-N 0 3 369.553 4.057 50 0 FIAAHN COc1ccc(CN(Cc2cccc(C)c2)C[C@@H](O)COCC(C)C)cc1 ZINC000036095325 205003843 /nfs/dbraw/zinc/00/38/43/205003843.db2.gz QXUPDCCRHSWEHL-JOCHJYFZSA-N 0 3 371.521 4.039 50 0 FIAAHN CC(C)CCN(Cc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000036096330 205003862 /nfs/dbraw/zinc/00/38/62/205003862.db2.gz WCTYRIWXTVPWDK-NRFANRHFSA-N 0 3 359.485 4.252 50 0 FIAAHN CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000039753535 205047955 /nfs/dbraw/zinc/04/79/55/205047955.db2.gz SBCSVSJDHKESCN-UHFFFAOYSA-N 0 3 366.505 4.002 50 0 FIAAHN C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000048277648 205154760 /nfs/dbraw/zinc/15/47/60/205154760.db2.gz YNAIQORLTPEIES-LLVKDONJSA-N 0 3 373.305 4.216 50 0 FIAAHN CC[C@@H](CO)N(Cc1ccsc1)Cc1cc(C)c(OC(C)=O)c(C)c1 ZINC000055383380 205215923 /nfs/dbraw/zinc/21/59/23/205215923.db2.gz NLLPQLCCSKSZPE-IBGZPJMESA-N 0 3 361.507 4.063 50 0 FIAAHN CC[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000055360056 205215995 /nfs/dbraw/zinc/21/59/95/205215995.db2.gz JOYVVIQVBVVFDF-GOSISDBHSA-N 0 3 369.440 4.474 50 0 FIAAHN C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)CCCC2 ZINC000057383192 205237977 /nfs/dbraw/zinc/23/79/77/205237977.db2.gz QDYNJZFHXDMMCU-MRXNPFEDSA-N 0 3 366.509 4.166 50 0 FIAAHN O=C(NC1CCCCC1)C1(NCc2c[nH]c3ccccc23)CCCCC1 ZINC000057551831 205242630 /nfs/dbraw/zinc/24/26/30/205242630.db2.gz IPPMQXXVNRGZQI-UHFFFAOYSA-N 0 3 353.510 4.409 50 0 FIAAHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000058161293 205253121 /nfs/dbraw/zinc/25/31/21/205253121.db2.gz CYULULYBLSAKGM-ZDUSSCGKSA-N 0 3 366.383 4.437 50 0 FIAAHN COc1ccc(CNC[C@@H](c2cccs2)N2CCC(C)CC2)cc1O ZINC000062580376 205291560 /nfs/dbraw/zinc/29/15/60/205291560.db2.gz CWFAQKYDNAGZGW-KRWDZBQOSA-N 0 3 360.523 4.025 50 0 FIAAHN CC[C@H]1CCCCN1CCNC(=O)c1sc2cccc(F)c2c1OC ZINC000064756380 205304924 /nfs/dbraw/zinc/30/49/24/205304924.db2.gz QAQSQKNEXZEAGK-ZDUSSCGKSA-N 0 3 364.486 4.043 50 0 FIAAHN CCCNC(=O)C1CCN(Cc2cn(CC)c3ccc(Cl)cc23)CC1 ZINC000064669716 205303254 /nfs/dbraw/zinc/30/32/54/205303254.db2.gz UDCIKDKKLOTECR-UHFFFAOYSA-N 0 3 361.917 4.053 50 0 FIAAHN CSc1ccc(CNC(=O)C2=CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000064818038 205306078 /nfs/dbraw/zinc/30/60/78/205306078.db2.gz AERHXVOKXARVJC-UHFFFAOYSA-N 0 3 366.530 4.165 50 0 FIAAHN CCNc1ncc(CN2CC[C@@H](c3ccnc(-c4ccccc4C)c3)C2)cn1 ZINC000065434074 205350866 /nfs/dbraw/zinc/35/08/66/205350866.db2.gz RGNVMGCWQBTHIX-HXUWFJFHSA-N 0 3 373.504 4.268 50 0 FIAAHN CC[C@@H]1C=CCN1Cc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000065506980 205357118 /nfs/dbraw/zinc/35/71/18/205357118.db2.gz ZIFHQIURSHOIMX-OAQYLSRUSA-N 0 3 363.461 4.048 50 0 FIAAHN CCc1ccc2oc(=O)cc(CN3CCC[C@H](Cc4cccnc4)C3)c2c1 ZINC000065506132 205357774 /nfs/dbraw/zinc/35/77/74/205357774.db2.gz WGSZTSHWVCEDLG-LJQANCHMSA-N 0 3 362.473 4.205 50 0 FIAAHN CN1CCC(Oc2ccc(NC(=O)CSCc3ccccc3)cc2)CC1 ZINC000067603693 205376597 /nfs/dbraw/zinc/37/65/97/205376597.db2.gz IRDMOEFORNFNEV-UHFFFAOYSA-N 0 3 370.518 4.032 50 0 FIAAHN Cc1cccc([C@H](O)CN[C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000133602096 206127062 /nfs/dbraw/zinc/12/70/62/206127062.db2.gz WQZUXNKRWQOANO-ZWKOTPCHSA-N 0 3 350.384 4.109 50 0 FIAAHN CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2ccccc2s1 ZINC000004585321 206179200 /nfs/dbraw/zinc/17/92/00/206179200.db2.gz NWCAJOPQPGMIMJ-UHFFFAOYSA-N 0 3 367.518 4.214 50 0 FIAAHN c1ccc(COc2cccc(CN3CCC(c4ccncc4)CC3)c2)nc1 ZINC000215283222 206345970 /nfs/dbraw/zinc/34/59/70/206345970.db2.gz DTLHMNVTOGKAGX-UHFFFAOYSA-N 0 3 359.473 4.435 50 0 FIAAHN c1ccc2nc(CN3CCC[C@H](c4nc(-c5cccnc5)no4)C3)ccc2c1 ZINC000215787781 206351538 /nfs/dbraw/zinc/35/15/38/206351538.db2.gz HIJRQRFKNGAMSX-SFHVURJKSA-N 0 3 371.444 4.059 50 0 FIAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)c1cc2sccc2[nH]1 ZINC000218907100 206375245 /nfs/dbraw/zinc/37/52/45/206375245.db2.gz YTUJYPBBQRDSOO-UHFFFAOYSA-N 0 3 353.491 4.097 50 0 FIAAHN CC(C)c1cc(=O)[n-]c(-c2ccccc2C[NH+]2CCC(C(C)C)CC2)n1 ZINC000048134995 221000587 /nfs/dbraw/zinc/00/05/87/221000587.db2.gz YNFYGNBRYLWVLJ-UHFFFAOYSA-N 0 3 353.510 4.428 50 0 FIAAHN CCOc1cccc(C(=O)NC[C@H](c2ccc(CC)cc2)N2CCCC2)c1 ZINC000028403422 521323532 /nfs/dbraw/zinc/32/35/32/521323532.db2.gz YBKXVGSQKPFJTC-JOCHJYFZSA-N 0 3 366.505 4.215 50 0 FIAAHN CCN1CCN(CCCOc2ccc(Cl)cc2Cc2ccccc2)CC1 ZINC000020406477 521682244 /nfs/dbraw/zinc/68/22/44/521682244.db2.gz TYDKNQHGYUWUHJ-UHFFFAOYSA-N 0 3 372.940 4.337 50 0 FIAAHN COc1ccc(CCNCc2cc(Cl)cc(Cl)c2OC)cc1OC ZINC000019871702 523974921 /nfs/dbraw/zinc/97/49/21/523974921.db2.gz YLMIWINFWCBMCV-UHFFFAOYSA-N 0 3 370.276 4.352 50 0 FIAAHN Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(CN3CCCCC3)cc2)n1 ZINC000020603334 524558539 /nfs/dbraw/zinc/55/85/39/524558539.db2.gz QQTREIORLHTDQZ-GOSISDBHSA-N 0 3 354.498 4.076 50 0 FIAAHN Cc1cc(CNC2CCN(c3cccc(-c4cccc(C)c4)c3)CC2)[nH]n1 ZINC000020906670 524753965 /nfs/dbraw/zinc/75/39/65/524753965.db2.gz BSPXPMJAOIAPMF-UHFFFAOYSA-N 0 3 360.505 4.452 50 0 FIAAHN Cc1cc(NC[C@H](c2cccs2)N2CCOCC2)c2ccccc2n1 ZINC000089583141 525275525 /nfs/dbraw/zinc/27/55/25/525275525.db2.gz RMPMKFCEOSREAL-LJQANCHMSA-N 0 3 353.491 4.090 50 0 FIAAHN O=C(Cc1ccc2ccccc2c1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000089834920 527253913 /nfs/dbraw/zinc/25/39/13/527253913.db2.gz IPECTTDKKGVPAH-JOCHJYFZSA-N 0 3 372.512 4.411 50 0 FIAAHN FC(F)Oc1cccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000089780666 527696703 /nfs/dbraw/zinc/69/67/03/527696703.db2.gz FUYUPSDRBXZQHP-UHFFFAOYSA-N 0 3 355.388 4.454 50 0 FIAAHN CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(OC)cc1C)NCC2 ZINC000000718297 568130398 /nfs/dbraw/zinc/13/03/98/568130398.db2.gz RLQWVVKVUMGCBB-QFIPXVFZSA-N 0 3 355.478 4.345 50 0 FIAAHN OC1(c2ccccc2)CCN(Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000220727203 568359313 /nfs/dbraw/zinc/35/93/13/568359313.db2.gz RQSYCGXFDSFTSB-IBGZPJMESA-N 0 3 357.519 4.473 50 0 FIAAHN CCCCn1ccnc1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000091964679 570443580 /nfs/dbraw/zinc/44/35/80/570443580.db2.gz LWWOCGVOBMMBRA-UHFFFAOYSA-N 0 3 363.509 4.249 50 0 FIAAHN Cc1ccc(CN2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)o1 ZINC000091974044 570444126 /nfs/dbraw/zinc/44/41/26/570444126.db2.gz MWGJYFYFEYBBTE-VMPITWQZSA-N 0 3 364.489 4.116 50 0 FIAAHN COc1c[nH]c(CN2CCCC(c3ccccc3)(c3ccccc3)C2)cc1=O ZINC000091988501 570444501 /nfs/dbraw/zinc/44/45/01/570444501.db2.gz NVTYFXQUGCGZIJ-UHFFFAOYSA-N 0 3 374.484 4.378 50 0 FIAAHN COCC[C@]1(O)CCN(Cc2ccc(N(C)c3ccccc3)cc2)C[C@H]1C ZINC000092037265 570445531 /nfs/dbraw/zinc/44/55/31/570445531.db2.gz HERDCOPKGUVHNW-AUSIDOKSSA-N 0 3 368.521 4.064 50 0 FIAAHN Fc1cccc([C@@H]2CN(C/C=C/c3ccco3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095353794 570452119 /nfs/dbraw/zinc/45/21/19/570452119.db2.gz CVNZUQFWYAKOSC-BQFHMJASSA-N 0 3 370.443 4.133 50 0 FIAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCC[C@H]1c1nccs1 ZINC000095390241 570460907 /nfs/dbraw/zinc/46/09/07/570460907.db2.gz ORRVIWGEBVENKP-SFHVURJKSA-N 0 3 355.507 4.106 50 0 FIAAHN C[C@H]1CCCCN1Cc1cccc(NC(=O)NCCCc2cccnc2)c1 ZINC000095498353 570462180 /nfs/dbraw/zinc/46/21/80/570462180.db2.gz SKCHBJFPBMNLQF-SFHVURJKSA-N 0 3 366.509 4.210 50 0 FIAAHN CCC[C@@H]1CN(Cc2ccc3c4ccccc4n(C)c3c2)C[C@H]1NC(C)=O ZINC000095499459 570462924 /nfs/dbraw/zinc/46/29/24/570462924.db2.gz WKSJDEZNKFILQC-WIYYLYMNSA-N 0 3 363.505 4.068 50 0 FIAAHN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CNCC(C)C ZINC000000942225 570464678 /nfs/dbraw/zinc/46/46/78/570464678.db2.gz ZMNDXSVKWPRMEG-UHFFFAOYSA-N 0 3 374.506 4.084 50 0 FIAAHN Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(CN3CCCCC3)cc2)no1 ZINC000095516912 570466476 /nfs/dbraw/zinc/46/64/76/570466476.db2.gz NGYDNQVXLZTFGC-NRFANRHFSA-N 0 3 367.493 4.336 50 0 FIAAHN Cc1ncsc1CCC(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000096140820 570476561 /nfs/dbraw/zinc/47/65/61/570476561.db2.gz BBWHKPVPEKRLAK-LJQANCHMSA-N 0 3 371.550 4.118 50 0 FIAAHN Cc1ccsc1CN(CCN(C)C)C(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000096142214 570477243 /nfs/dbraw/zinc/47/72/43/570477243.db2.gz IGBYCZGRFGANGA-UHFFFAOYSA-N 0 3 369.534 4.359 50 0 FIAAHN O=C(CCN1CCCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001148805 570484362 /nfs/dbraw/zinc/48/43/62/570484362.db2.gz YREBILLEOYMNGN-UHFFFAOYSA-N 0 3 370.880 4.386 50 0 FIAAHN CN(c1ccccc1)c1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000097402350 570486820 /nfs/dbraw/zinc/48/68/20/570486820.db2.gz MUPNUESJHSMNOC-QFIPXVFZSA-N 0 3 363.505 4.041 50 0 FIAAHN COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2cnc(N(C)C)s2)cc1 ZINC000102142170 570514645 /nfs/dbraw/zinc/51/46/45/570514645.db2.gz YKLDNVSKAXFMQS-BJWYYQGGSA-N 0 3 357.523 4.128 50 0 FIAAHN CCNC(=O)[C@H]1C[C@H](c2ccc(F)cc2)CN(Cc2ccccc2Cl)C1 ZINC000034716599 570544801 /nfs/dbraw/zinc/54/48/01/570544801.db2.gz VRKMRYOIDJUCIQ-ROUUACIJSA-N 0 3 374.887 4.221 50 0 FIAAHN CC(C)Cc1ccc([C@@H](NCc2cc(=O)n3ccccc3n2)C(C)C)cc1 ZINC000050275823 570544915 /nfs/dbraw/zinc/54/49/15/570544915.db2.gz UUEUGSHCYDZBEK-QHCPKHFHSA-N 0 3 363.505 4.380 50 0 FIAAHN CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739896 570550644 /nfs/dbraw/zinc/55/06/44/570550644.db2.gz ATMUTJWWIXXRMM-QUCCMNQESA-N 0 3 356.897 4.429 50 0 FIAAHN 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/nfs/dbraw/zinc/80/69/20/570806920.db2.gz VYLBCFLJPFNEQJ-UHFFFAOYSA-N 0 3 352.265 4.377 50 0 FIAAHN C/C=C(\C)CN1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014884720 570825514 /nfs/dbraw/zinc/82/55/14/570825514.db2.gz BZXQELPIKNLFSU-XPLYLKDSSA-N 0 3 356.539 4.253 50 0 FIAAHN CN(C(=O)c1sccc1Cl)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000014958832 570826871 /nfs/dbraw/zinc/82/68/71/570826871.db2.gz VVTSADNKBDMYAR-MRXNPFEDSA-N 0 3 362.926 4.181 50 0 FIAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2CC2CC2)cc1 ZINC000015073900 570831870 /nfs/dbraw/zinc/83/18/70/570831870.db2.gz YYQOXWXQSUXALR-OAQYLSRUSA-N 0 3 350.462 4.175 50 0 FIAAHN Cc1cc(C)c(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC000017075335 570867392 /nfs/dbraw/zinc/86/73/92/570867392.db2.gz AJXFWUAPAFVOLU-UHFFFAOYSA-N 0 3 366.549 4.338 50 0 FIAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000071946325 570877942 /nfs/dbraw/zinc/87/79/42/570877942.db2.gz NIWMPJLGBVVWCV-DGCLKSJQSA-N 0 3 361.338 4.075 50 0 FIAAHN CC(C)N1CCC[C@H]1c1ccc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000023232347 570960065 /nfs/dbraw/zinc/96/00/65/570960065.db2.gz IWGNGFMSVOXHRK-AWEZNQCLSA-N 0 3 358.463 4.274 50 0 FIAAHN O[C@H](CNCc1ccccc1)CN1c2ccccc2Sc2ccccc21 ZINC000005741029 570967351 /nfs/dbraw/zinc/96/73/51/570967351.db2.gz SVVXTNOUPDFZGK-GOSISDBHSA-N 0 3 362.498 4.440 50 0 FIAAHN COc1cc(CN[C@H]2CCCc3ccccc32)cc(OC)c1OC(F)F ZINC000025259807 570992990 /nfs/dbraw/zinc/99/29/90/570992990.db2.gz OWCSKKVTSYORBU-INIZCTEOSA-N 0 3 363.404 4.472 50 0 FIAAHN Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 ZINC000027662557 571016912 /nfs/dbraw/zinc/01/69/12/571016912.db2.gz PWMYBIXNPWAWPZ-LJQANCHMSA-N 0 3 372.534 4.169 50 0 FIAAHN Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCCCC2)cc1 ZINC000027744248 571020096 /nfs/dbraw/zinc/02/00/96/571020096.db2.gz AOXPIRXPUNQORD-QFIPXVFZSA-N 0 3 366.505 4.107 50 0 FIAAHN COc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027749564 571020690 /nfs/dbraw/zinc/02/06/90/571020690.db2.gz VYMTWIJEVSEEQQ-KRWDZBQOSA-N 0 3 358.507 4.104 50 0 FIAAHN Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000027793100 571021008 /nfs/dbraw/zinc/02/10/08/571021008.db2.gz PAOGETRXILQXDJ-HXUWFJFHSA-N 0 3 356.897 4.144 50 0 FIAAHN CC(=O)Nc1ccc2c(CN[C@@H](c3ccccc3)C(C)C)cc(=O)oc2c1 ZINC000029189379 571037268 /nfs/dbraw/zinc/03/72/68/571037268.db2.gz SZKFXBAZICPVTP-JOCHJYFZSA-N 0 3 364.445 4.238 50 0 FIAAHN CC[C@@H](Nc1nc(-c2ccccc2)nc2c1CCNC2)c1cc(C)ccn1 ZINC000067955420 571062025 /nfs/dbraw/zinc/06/20/25/571062025.db2.gz CXVIBOXSDHRZAQ-GOSISDBHSA-N 0 3 359.477 4.056 50 0 FIAAHN Cc1cc(-c2csc(NC(=O)C3Oc4ccccc4O[C@@H]3C)n2)c(C)o1 ZINC000084081693 571070606 /nfs/dbraw/zinc/07/06/06/571070606.db2.gz OIYXLHJODVKYNJ-SJKOYZFVSA-N 0 3 370.430 4.187 50 0 FIAAHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2sccc2C)CC1 ZINC000004725499 571072505 /nfs/dbraw/zinc/07/25/05/571072505.db2.gz RSQNWZAZSMUOOS-UHFFFAOYSA-N 0 3 356.535 4.317 50 0 FIAAHN O[C@H](c1ccccc1)[C@@H]1CN(Cc2ccccc2)CC[C@]1(O)c1ccccc1 ZINC000004195778 571072537 /nfs/dbraw/zinc/07/25/37/571072537.db2.gz IUOKAJBTLLBDLO-GVAUOCQISA-N 0 3 373.496 4.130 50 0 FIAAHN Clc1ccc(Cl)c(C=C2CCN(CCCN3CCOCC3)CC2)c1 ZINC000084341447 571082806 /nfs/dbraw/zinc/08/28/06/571082806.db2.gz LHDLTQIRJWCIRI-UHFFFAOYSA-N 0 3 369.336 4.195 50 0 FIAAHN C[C@@H]1Oc2ccccc2OC1C(=O)N(Cc1ccco1)c1ccccc1F ZINC000084678371 571096275 /nfs/dbraw/zinc/09/62/75/571096275.db2.gz AVJYSVBYARMUFI-XOBRGWDASA-N 0 3 367.376 4.180 50 0 FIAAHN O=C(NCc1cnc2ccccc2c1)C1(N2CCCCC2)CCCCC1 ZINC000244595069 571113897 /nfs/dbraw/zinc/11/38/97/571113897.db2.gz DOBWGOMIWTZUEJ-UHFFFAOYSA-N 0 3 351.494 4.040 50 0 FIAAHN Cc1c(Cl)cccc1NC(=O)CCN(C)CC[C@@H](O)c1ccccc1 ZINC000244605538 571113979 /nfs/dbraw/zinc/11/39/79/571113979.db2.gz FAJWRGMNBMHLOX-LJQANCHMSA-N 0 3 360.885 4.033 50 0 FIAAHN COc1ccccc1C1CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000244858395 571117816 /nfs/dbraw/zinc/11/78/16/571117816.db2.gz VKHRTBGWXBCVOY-UHFFFAOYSA-N 0 3 356.441 4.043 50 0 FIAAHN CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 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Cc1cc2oc(=O)cc(CN3CCC(Cc4ccccc4)CC3)c2cc1O ZINC000002158225 571175962 /nfs/dbraw/zinc/17/59/62/571175962.db2.gz BFARNBHSGHICRR-UHFFFAOYSA-N 0 3 363.457 4.262 50 0 biogenic FIAAHN Oc1cccc(CC[C@@H]2CCCCN2Cc2cc(-c3ccccn3)no2)c1 ZINC000072168297 571177094 /nfs/dbraw/zinc/17/70/94/571177094.db2.gz XSLUQESPUGEZJG-SFHVURJKSA-N 0 3 363.461 4.430 50 0 FIAAHN CCOc1ccc(NC(=O)c2cccc3[nH]cc(CN4CCCC4)c32)cc1 ZINC000075483517 571188979 /nfs/dbraw/zinc/18/89/79/571188979.db2.gz NIKSKDBLGRHSDG-UHFFFAOYSA-N 0 3 363.461 4.415 50 0 FIAAHN Cc1c(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cnn1C ZINC000299782996 571198572 /nfs/dbraw/zinc/19/85/72/571198572.db2.gz GVNGYOPCOYXFQS-INIZCTEOSA-N 0 3 369.900 4.152 50 0 FIAAHN Cc1cc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2n1 ZINC000089583102 571212653 /nfs/dbraw/zinc/21/26/53/571212653.db2.gz AIUPZBUCRZNWLO-JOCHJYFZSA-N 0 3 365.452 4.168 50 0 FIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCCC1)N1CCC(F)(F)CC1 ZINC000426406343 571221267 /nfs/dbraw/zinc/22/12/67/571221267.db2.gz VBLOLISTIMCPKX-SFHVURJKSA-N 0 3 365.468 4.044 50 0 FIAAHN CO[C@]12CCN(Cc3cc(F)cc(Cl)c3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426431009 571224609 /nfs/dbraw/zinc/22/46/09/571224609.db2.gz HTFUUKWEZCGIAQ-HSALFYBXSA-N 0 3 367.892 4.418 50 0 FIAAHN CN(C)[C@H](CNCc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 ZINC000097465754 571232151 /nfs/dbraw/zinc/23/21/51/571232151.db2.gz BZGZQXANSVORRV-GOSISDBHSA-N 0 3 370.390 4.159 50 0 FIAAHN Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2C/C=C/c2ccc(F)cc2)C1 ZINC000091693660 571242528 /nfs/dbraw/zinc/24/25/28/571242528.db2.gz PRFFTUAFGDHOBB-AWJROHARSA-N 0 3 369.484 4.040 50 0 FIAAHN CN(C)Cc1cccc(C(=O)OCc2nc(-c3ccccc3)cs2)c1 ZINC000253426189 571313122 /nfs/dbraw/zinc/31/31/22/571313122.db2.gz YNTPCGXONGZRPX-UHFFFAOYSA-N 0 3 352.459 4.229 50 0 FIAAHN CCc1c[nH]nc1C1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000019595534 571326652 /nfs/dbraw/zinc/32/66/52/571326652.db2.gz OUVQVOXUTMRFLT-UHFFFAOYSA-N 0 3 352.507 4.475 50 0 FIAAHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(-c3ccccc3)cs1)CC2 ZINC000093614240 571327151 /nfs/dbraw/zinc/32/71/51/571327151.db2.gz MLKOXRCJAFZQFT-UXHICEINSA-N 0 3 357.519 4.167 50 0 FIAAHN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cn(-c2ccccc2)nc1C ZINC000095989237 571333571 /nfs/dbraw/zinc/33/35/71/571333571.db2.gz MNEPFHQATVXXPN-IIBYNOLFSA-N 0 3 353.441 4.186 50 0 FIAAHN O=C(Cc1cccc2ccccc21)N1CC[C@H](N2CCc3ccccc3C2)C1 ZINC000225687064 571337860 /nfs/dbraw/zinc/33/78/60/571337860.db2.gz JPFCATXGIQOORL-QHCPKHFHSA-N 0 3 370.496 4.042 50 0 FIAAHN Cc1cccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)c1 ZINC000004193221 571356680 /nfs/dbraw/zinc/35/66/80/571356680.db2.gz DXRWQJFQUPCIOT-UHFFFAOYSA-N 0 3 373.456 4.172 50 0 FIAAHN CCCc1cc(=O)[n-]c(-c2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)n1 ZINC000023145496 1086056456 /nfs/dbraw/zinc/05/64/56/1086056456.db2.gz LKIWSVMMKDVIHO-UHFFFAOYSA-N 0 3 351.494 4.156 50 0 FIAAHN CCCc1cc(=O)[n-]c(-c2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)n1 ZINC000023145496 1086056472 /nfs/dbraw/zinc/05/64/72/1086056472.db2.gz LKIWSVMMKDVIHO-UHFFFAOYSA-N 0 3 351.494 4.156 50 0 FIAAHN CCC[N@H+](Cc1ccsc1)Cc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000023214308 1086255176 /nfs/dbraw/zinc/25/51/76/1086255176.db2.gz NYIKFZOGZGRSFA-UHFFFAOYSA-N 0 3 353.491 4.219 50 0 FIAAHN CCC[N@@H+](Cc1ccsc1)Cc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000023214308 1086255193 /nfs/dbraw/zinc/25/51/93/1086255193.db2.gz NYIKFZOGZGRSFA-UHFFFAOYSA-N 0 3 353.491 4.219 50 0 FIAAHN Cc1cccc(C)c1/C=C/C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000225494786 1115189322 /nfs/dbraw/zinc/18/93/22/1115189322.db2.gz IFUAHDWGMCJIMT-BQYQJAHWSA-N 0 3 354.538 4.287 50 0 FIAAHN CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(F)cc1)c1cccc(OC)c1 ZINC000032902753 1121539424 /nfs/dbraw/zinc/53/94/24/1121539424.db2.gz QVKGNXOQXVYCLC-QGFLDLQWSA-N 0 3 370.468 4.047 50 0 FIAAHN C[C@@H](NC(=O)c1ccc(F)cc1Cl)[C@H](c1cccs1)N1CCCC1 ZINC000003261398 204085617 /nfs/dbraw/zinc/08/56/17/204085617.db2.gz QWEKCQFTYATLDE-SJKOYZFVSA-N 0 3 366.889 4.496 50 0 FIAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Br)o1 ZINC000002840725 204061408 /nfs/dbraw/zinc/06/14/08/204061408.db2.gz KGHBRGUTULRKQO-UHFFFAOYSA-N 0 3 363.255 4.280 50 0 FIAAHN C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1cccc(Br)c1 ZINC000003667938 204110465 /nfs/dbraw/zinc/11/04/65/204110465.db2.gz PDIXGTGFDXWHMR-MGPQQGTHSA-N 0 3 354.288 4.257 50 0 FIAAHN C[C@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(Br)c1 ZINC000003904931 204113840 /nfs/dbraw/zinc/11/38/40/204113840.db2.gz PDIXGTGFDXWHMR-MELADBBJSA-N 0 3 354.288 4.257 50 0 FIAAHN CCOc1cc(CNCc2ccccc2)cc(Br)c1OC ZINC000004670835 204152747 /nfs/dbraw/zinc/15/27/47/204152747.db2.gz IYWXGMHADOAKKA-UHFFFAOYSA-N 0 3 350.256 4.146 50 0 FIAAHN CN(C)Cc1ccc([C@@]2(c3ccccc3)O[C@](C)(O)c3ccccc32)cc1 ZINC000004797738 204164147 /nfs/dbraw/zinc/16/41/47/204164147.db2.gz BGUFLAMMGLHEGY-BJKOFHAPSA-N 0 3 359.469 4.235 50 0 FIAAHN CC(C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005072995 204190108 /nfs/dbraw/zinc/19/01/08/204190108.db2.gz ZNCSWUIKMAAFOJ-UHFFFAOYSA-N 0 3 350.506 4.280 50 0 FIAAHN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)o1 ZINC000005093364 204191860 /nfs/dbraw/zinc/19/18/60/204191860.db2.gz XZJYJFJKCKOSNZ-LJQANCHMSA-N 0 3 365.477 4.332 50 0 FIAAHN CN1CCCN(c2nc(-c3cccs3)nc3sc4c(c32)CCC4)CC1 ZINC000006507881 204251144 /nfs/dbraw/zinc/25/11/44/204251144.db2.gz PRNSQRVFIZEPJA-UHFFFAOYSA-N 0 3 370.547 4.050 50 0 FIAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000006832764 204274955 /nfs/dbraw/zinc/27/49/55/204274955.db2.gz FTKGUSQLDLXKBE-NRFANRHFSA-N 0 3 361.489 4.431 50 0 FIAAHN CCOc1ccc(NC(=O)N(Cc2ccco2)C2CCN(CC)CC2)cc1 ZINC000006877599 204278585 /nfs/dbraw/zinc/27/85/85/204278585.db2.gz ATSBZDLQBLXAPE-UHFFFAOYSA-N 0 3 371.481 4.197 50 0 FIAAHN COc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CCSc3ccccc32)c1 ZINC000008328526 204327681 /nfs/dbraw/zinc/32/76/81/204327681.db2.gz GBHNLGZJDNHEAB-RDTXWAMCSA-N 0 3 356.491 4.239 50 0 FIAAHN c1csc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)c1 ZINC000007523953 204299125 /nfs/dbraw/zinc/29/91/25/204299125.db2.gz JXYUKNQIRWYZPV-UHFFFAOYSA-N 0 3 353.443 4.346 50 0 FIAAHN CN(C)Cc1ccccc1CNC(=O)c1ccccc1OCc1ccccc1 ZINC000009917189 204386356 /nfs/dbraw/zinc/38/63/56/204386356.db2.gz ZOFKKAGAWPCQAM-UHFFFAOYSA-N 0 3 374.484 4.257 50 0 FIAAHN C[C@H](NC(=O)NCc1ccccc1CN(C)C)c1cc2ccccc2o1 ZINC000010466177 204396698 /nfs/dbraw/zinc/39/66/98/204396698.db2.gz NIKUKJRCBWLEOB-HNNXBMFYSA-N 0 3 351.450 4.055 50 0 FIAAHN O=C(NCCC1=CCCCC1)c1ccc(SCCN2CCCCC2)nc1 ZINC000021663484 204756801 /nfs/dbraw/zinc/75/68/01/204756801.db2.gz PYRJUASTKLPXNR-UHFFFAOYSA-N 0 3 373.566 4.280 50 0 FIAAHN CC(C)[C@H](CNC(=O)c1c(F)cccc1Cl)N1CCc2ccccc2C1 ZINC000025919894 204844353 /nfs/dbraw/zinc/84/43/53/204844353.db2.gz VSJPBORYEMQPGP-IBGZPJMESA-N 0 3 374.887 4.292 50 0 FIAAHN Cc1cc([C@H](C)NC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)s1 ZINC000031662756 204919134 /nfs/dbraw/zinc/91/91/34/204919134.db2.gz ZFHMZAWRTZKBDT-INIZCTEOSA-N 0 3 371.550 4.390 50 0 FIAAHN O=C(CCc1ccc(-c2ccccc2)o1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000036875878 205022683 /nfs/dbraw/zinc/02/26/83/205022683.db2.gz ZKWYHNGOVAYIBX-OAQYLSRUSA-N 0 3 374.484 4.270 50 0 FIAAHN C[C@H](N[C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccc2c(c1)OCO2 ZINC000040161203 205061750 /nfs/dbraw/zinc/06/17/50/205061750.db2.gz JDHMXZAOLPAMAT-GJZGRUSLSA-N 0 3 362.429 4.246 50 0 FIAAHN CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000044882670 205112796 /nfs/dbraw/zinc/11/27/96/205112796.db2.gz BBVBAUKYZKSNCP-UHFFFAOYSA-N 0 3 366.505 4.390 50 0 FIAAHN O=C(Nc1cccc2cnccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000043162572 205100709 /nfs/dbraw/zinc/10/07/09/205100709.db2.gz WWSWYSVTNRHUBV-UHFFFAOYSA-N 0 3 360.461 4.021 50 0 FIAAHN Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000043188509 205100923 /nfs/dbraw/zinc/10/09/23/205100923.db2.gz QIVBKSFPULIFAQ-UHFFFAOYSA-N 0 3 357.885 4.435 50 0 FIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 ZINC000051329954 205182779 /nfs/dbraw/zinc/18/27/79/205182779.db2.gz QCNFXBFFQZTQHX-GOSISDBHSA-N 0 3 367.518 4.494 50 0 FIAAHN CC(=O)Nc1ccc(CN2CCC[C@H](COc3ccc(C)cc3)C2)cc1 ZINC000055054715 205205623 /nfs/dbraw/zinc/20/56/23/205205623.db2.gz VMPWQZNBOJLOPE-FQEVSTJZSA-N 0 3 352.478 4.244 50 0 FIAAHN COc1c(F)cc(CN(CCN(C)C)Cc2ccsc2)cc1Cl ZINC000055404479 205217915 /nfs/dbraw/zinc/21/79/15/205217915.db2.gz SWGUUWNVXLOBEC-UHFFFAOYSA-N 0 3 356.894 4.113 50 0 FIAAHN O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C2CSCCSC2)C1 ZINC000059331460 205280635 /nfs/dbraw/zinc/28/06/35/205280635.db2.gz JSRRAJJERLSJIZ-CQSZACIVSA-N 0 3 355.956 4.083 50 0 FIAAHN Fc1cc(-c2cccs2)ccc1CN[C@H]1CCN(CC(F)(F)F)C1 ZINC000060953165 205285261 /nfs/dbraw/zinc/28/52/61/205285261.db2.gz OAJZXIVEDJIWBN-AWEZNQCLSA-N 0 3 358.404 4.280 50 0 FIAAHN COc1ccc2[nH]c(CNCc3cc(C)c(OC(C)=O)c(C)c3)cc2c1 ZINC000065432337 205350080 /nfs/dbraw/zinc/35/00/80/205350080.db2.gz DELLVVFVMDGQIQ-UHFFFAOYSA-N 0 3 352.434 4.008 50 0 FIAAHN CC(C)N1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1)N2 ZINC000065298501 205335746 /nfs/dbraw/zinc/33/57/46/205335746.db2.gz VPHDKNVNYLVFQV-HXUWFJFHSA-N 0 3 363.505 4.116 50 0 biogenic FIAAHN Cc1noc(-c2ccnc(Oc3ccc(CN4CCCC4)cc3C)c2)n1 ZINC000067447297 205372414 /nfs/dbraw/zinc/37/24/14/205372414.db2.gz KGGOACOXFRSISS-UHFFFAOYSA-N 0 3 350.422 4.137 50 0 FIAAHN COc1cc(-c2ccc(C)s2)cc2c1OCCN(C1CCN(C)CC1)C2 ZINC000067650106 205379566 /nfs/dbraw/zinc/37/95/66/205379566.db2.gz PCGHTVKGGOAXNL-UHFFFAOYSA-N 0 3 372.534 4.021 50 0 FIAAHN C[C@@H]1CC(=O)CC[C@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000095943501 205797111 /nfs/dbraw/zinc/79/71/11/205797111.db2.gz HXVIOPYTQXPYCV-DNVCBOLYSA-N 0 3 353.466 4.195 50 0 FIAAHN CCN(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004263230 206173037 /nfs/dbraw/zinc/17/30/37/206173037.db2.gz AGJKXCLKJGOAQN-INIZCTEOSA-N 0 3 354.277 4.255 50 0 FIAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CNCc1ccc(F)cc1 ZINC000004028556 206164106 /nfs/dbraw/zinc/16/41/06/206164106.db2.gz RQMDDMBXJIFXNQ-RMEPHLEKSA-N 0 3 357.469 4.374 50 0 biogenic FIAAHN COc1cccc(OC)c1OCCCN1CCCC[C@@H]1c1cccnc1 ZINC000006624454 206203433 /nfs/dbraw/zinc/20/34/33/206203433.db2.gz RMEWMSSUXAZHPS-GOSISDBHSA-N 0 3 356.466 4.095 50 0 biogenic FIAAHN CCCOC(=O)c1ccc2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717197 206217779 /nfs/dbraw/zinc/21/77/79/206217779.db2.gz ZDTZEXREGSNIPY-AWEZNQCLSA-N 0 3 356.466 4.048 50 0 FIAAHN CN(Cc1ccccc1)[C@@H](CNC(=O)CCCc1cccs1)C1CC1 ZINC000170599314 206270770 /nfs/dbraw/zinc/27/07/70/206270770.db2.gz WPBQMAZCCKCEEU-FQEVSTJZSA-N 0 3 356.535 4.098 50 0 FIAAHN CC1=C2C[C@@H]3[C@H](CN(C)CCc4ccccn4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012660036 206292981 /nfs/dbraw/zinc/29/29/81/206292981.db2.gz HVDXBYCQTJYUKM-MHXAIHSWSA-N 0 3 368.521 4.014 50 0 biogenic FIAAHN COc1ccc(-c2csc(NC(=O)CNC3CCCCCCC3)n2)cc1 ZINC000012859476 206297096 /nfs/dbraw/zinc/29/70/96/206297096.db2.gz OCCDAFTUFNRVCW-UHFFFAOYSA-N 0 3 373.522 4.460 50 0 FIAAHN Cc1cc(C)n(-c2ccc(F)cc2CN2CCC(c3n[nH]cc3C)CC2)n1 ZINC000215633923 206350328 /nfs/dbraw/zinc/35/03/28/206350328.db2.gz ONMONDBKONZEHS-UHFFFAOYSA-N 0 3 367.472 4.039 50 0 FIAAHN COc1ccc(-c2ccc(CN3CCC[C@@H](Cn4ccnc4)C3)o2)cc1 ZINC000216125193 206356502 /nfs/dbraw/zinc/35/65/02/206356502.db2.gz TUWKWMXPAJVEQO-QGZVFWFLSA-N 0 3 351.450 4.064 50 0 FIAAHN CN(CCN1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1 ZINC000021579117 206361677 /nfs/dbraw/zinc/36/16/77/206361677.db2.gz JXXTZZUEVZYSDZ-UHFFFAOYSA-N 0 3 370.452 4.004 50 0 FIAAHN c1cn(Cc2ccccn2)c([C@@H]2CCCN(c3ccnc4ccccc43)C2)n1 ZINC000095372607 132208920 /nfs/dbraw/zinc/20/89/20/132208920.db2.gz CJDHZANVOXAECO-GOSISDBHSA-N 0 3 369.472 4.259 50 0 FIAAHN C[C@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)c1cc(F)ccc1F ZINC000095962418 132216416 /nfs/dbraw/zinc/21/64/16/132216416.db2.gz BHDHBRMXRZHIHO-HNNXBMFYSA-N 0 3 359.464 4.350 50 0 FIAAHN CN(Cc1ccccn1)C1CCN(c2cccc(-c3cscn3)c2)CC1 ZINC000048257852 136123095 /nfs/dbraw/zinc/12/30/95/136123095.db2.gz LJTLFMRGULQZJE-UHFFFAOYSA-N 0 3 364.518 4.306 50 0 FIAAHN CC(=O)c1cc(CN(C)[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cs1 ZINC000020600988 518275413 /nfs/dbraw/zinc/27/54/13/518275413.db2.gz NQBSVLAPRKAEAZ-HXUWFJFHSA-N 0 3 368.546 4.014 50 0 FIAAHN CCN(Cc1ccncc1)[C@H]1CCCN(Cc2cccc(SC)c2)C1 ZINC000019838048 521423889 /nfs/dbraw/zinc/42/38/89/521423889.db2.gz USUWELWONNMFGO-FQEVSTJZSA-N 0 3 355.551 4.290 50 0 FIAAHN CN1CCN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1c1ccccc1 ZINC000244678919 523909634 /nfs/dbraw/zinc/90/96/34/523909634.db2.gz IMFKZPTWPYEMSD-QFIPXVFZSA-N 0 3 369.578 4.223 50 0 FIAAHN Cc1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020028451 525166585 /nfs/dbraw/zinc/16/65/85/525166585.db2.gz CSQQZARNWVSXGI-UHFFFAOYSA-N 0 3 370.496 4.483 50 0 FIAAHN OCc1ccc(C[C@@H]2CCN(Cc3cnc(C4CCCCC4)nc3)C2)cc1 ZINC000091624701 527633574 /nfs/dbraw/zinc/63/35/74/527633574.db2.gz KGGKFPXJSVMOGS-FQEVSTJZSA-N 0 3 365.521 4.081 50 0 FIAAHN O=C(Nc1ccccc1)[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000012284440 568028258 /nfs/dbraw/zinc/02/82/58/568028258.db2.gz LJZBYPVJZDMCPO-MRXNPFEDSA-N 0 3 358.869 4.070 50 0 FIAAHN COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000000819183 568296935 /nfs/dbraw/zinc/29/69/35/568296935.db2.gz CNOHOAYXTKSQPA-UHFFFAOYSA-N 0 3 355.478 4.167 50 0 FIAAHN Cc1cccnc1C[C@@H](C)NC(=O)c1cccc(CN2CCCCCC2)c1 ZINC000220731698 568359683 /nfs/dbraw/zinc/35/96/83/568359683.db2.gz XPYITIODIVUNAF-LJQANCHMSA-N 0 3 365.521 4.127 50 0 FIAAHN Brc1csc(CNC[C@H](c2ccco2)N2CCCC2)c1 ZINC000023257936 568392215 /nfs/dbraw/zinc/39/22/15/568392215.db2.gz CSDJFRMYZSIYRR-CQSZACIVSA-N 0 3 355.301 4.030 50 0 FIAAHN C[C@H](NCc1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000025356145 568546036 /nfs/dbraw/zinc/54/60/36/568546036.db2.gz FGBMBYJJNUFPSZ-AWEZNQCLSA-N 0 3 356.267 4.486 50 0 FIAAHN O=C1NC2(C[C@@H]1c1ccccc1)CCN(Cc1cc3ccccc3o1)CC2 ZINC000095358544 570453289 /nfs/dbraw/zinc/45/32/89/570453289.db2.gz BADCGSUWPAACKM-HXUWFJFHSA-N 0 3 360.457 4.071 50 0 FIAAHN C[C@@H](NC(=O)C1CCN(Cc2ccco2)CC1)c1ccc2c(c1)CCCC2 ZINC000095386854 570460164 /nfs/dbraw/zinc/46/01/64/570460164.db2.gz HDRXDYZCSAOOHO-QGZVFWFLSA-N 0 3 366.505 4.248 50 0 FIAAHN COc1ccc(NC(=O)N(C)Cc2ccccc2CN2CCCC2)c(F)c1 ZINC000096132576 570476381 /nfs/dbraw/zinc/47/63/81/570476381.db2.gz 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ZINC000020598648 1089685588 /nfs/dbraw/zinc/68/55/88/1089685588.db2.gz ZAEOETFLVNDCIC-HXUWFJFHSA-N 0 3 363.436 4.222 50 0 FIAAHN COc1cccc(C[C@]2(CO)CCCN(Cc3ccccc3Cl)C2)c1 ZINC000011842739 1125227655 /nfs/dbraw/zinc/22/76/55/1125227655.db2.gz HKUICOHDVLBIPC-OAQYLSRUSA-N 0 3 359.897 4.166 50 0 FIAAHN CN(C)[C@H](CNC(=O)c1c(F)cccc1F)c1cccc2ccccc21 ZINC000010330438 204009788 /nfs/dbraw/zinc/00/97/88/204009788.db2.gz YAWFVQDSNBZUCE-LJQANCHMSA-N 0 3 354.400 4.151 50 0 FIAAHN Cc1ccc(NC(=S)N(CCN(C)C)[C@@H](C)c2cccnc2)c(C)c1 ZINC000002933963 204069119 /nfs/dbraw/zinc/06/91/19/204069119.db2.gz FBFRHJCDBDMRLQ-KRWDZBQOSA-N 0 3 356.539 4.020 50 0 FIAAHN Cc1ccc(C)c(NC(=S)N(CCN(C)C)[C@@H](C)c2ccccn2)c1 ZINC000003008242 204073207 /nfs/dbraw/zinc/07/32/07/204073207.db2.gz KLWDHPPCMPMJOA-KRWDZBQOSA-N 0 3 356.539 4.020 50 0 FIAAHN C[C@H](NC(=O)c1ccc(F)cc1Cl)[C@@H](c1cccs1)N1CCCC1 ZINC000003261392 204085794 /nfs/dbraw/zinc/08/57/94/204085794.db2.gz QWEKCQFTYATLDE-SJCJKPOMSA-N 0 3 366.889 4.496 50 0 FIAAHN CSc1ccc(CN2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 ZINC000002734684 204053236 /nfs/dbraw/zinc/05/32/36/204053236.db2.gz CWOWIRJPMBWQPC-HXUWFJFHSA-N 0 3 368.546 4.279 50 0 FIAAHN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[NH2+]C2CCCCC2)cc1 ZINC000003893929 204112667 /nfs/dbraw/zinc/11/26/67/204112667.db2.gz KLONVYFUMLYAJA-UHFFFAOYSA-N 0 3 358.507 4.218 50 0 FIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004018828 204118318 /nfs/dbraw/zinc/11/83/18/204118318.db2.gz CODAXLRJLVYQPK-ZSPWYYDASA-N 0 3 364.533 4.346 50 0 biogenic FIAAHN CC(C)c1cccc(C(C)C)c1NC(=O)CNC[C@H](O)c1ccccc1 ZINC000003339019 204092929 /nfs/dbraw/zinc/09/29/29/204092929.db2.gz LNZPRRDDFWZSLE-FQEVSTJZSA-N 0 3 354.494 4.195 50 0 FIAAHN C[C@@H](CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C)C ZINC000004672277 204153203 /nfs/dbraw/zinc/15/32/03/204153203.db2.gz GITPWLWBSBMIGW-ZDUSSCGKSA-N 0 3 373.909 4.081 50 0 FIAAHN COc1cccc(NC(=O)N(CCC(C)C)C2CCN(C(C)C)CC2)c1 ZINC000004687116 204155852 /nfs/dbraw/zinc/15/58/52/204155852.db2.gz ZVPIRKDDLBAXBS-UHFFFAOYSA-N 0 3 361.530 4.448 50 0 FIAAHN CCCn1c2ccc(C)cc2c2nnc(SCCN3CCCCC3)nc21 ZINC000005484669 204211508 /nfs/dbraw/zinc/21/15/08/204211508.db2.gz OXRXWSVQXZNEED-UHFFFAOYSA-N 0 3 369.538 4.276 50 0 aggregator FIAAHN N=C1SC(c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2)s1 ZINC000005017019 204185103 /nfs/dbraw/zinc/18/51/03/204185103.db2.gz AVMXXESPIRVLPS-INIZCTEOSA-N 0 3 365.483 4.490 50 0 FIAAHN CN(C)Cc1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000006983600 204284860 /nfs/dbraw/zinc/28/48/60/204284860.db2.gz WBYCNPMJTQTUIH-UHFFFAOYSA-N 0 3 359.473 4.104 50 0 FIAAHN Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)c(Cl)c1 ZINC000006819265 204273509 /nfs/dbraw/zinc/27/35/09/204273509.db2.gz ZQPLRUOGBHMMNT-UHFFFAOYSA-N 0 3 357.885 4.218 50 0 FIAAHN CC(C)(CNC(=S)Nc1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000006831509 204275135 /nfs/dbraw/zinc/27/51/35/204275135.db2.gz ZZXNJGYBWHFMHR-UHFFFAOYSA-N 0 3 359.461 4.256 50 0 FIAAHN CCc1ccc([C@H](NCC(=O)Nc2cc(OC)ccc2OC)C(C)C)cc1 ZINC000007872463 204310905 /nfs/dbraw/zinc/31/09/05/204310905.db2.gz AZVONPBQBXSBBD-JOCHJYFZSA-N 0 3 370.493 4.192 50 0 FIAAHN CCOC(=O)c1c(NC(=O)CNC(C)(C)C)sc(C)c1-c1ccccc1 ZINC000009313680 204361562 /nfs/dbraw/zinc/36/15/62/204361562.db2.gz DQOMFWZVDJSCJA-UHFFFAOYSA-N 0 3 374.506 4.227 50 0 FIAAHN C[C@@H](NC(=O)NCc1ccccc1CN(C)C)c1cc2ccccc2o1 ZINC000010466178 204397116 /nfs/dbraw/zinc/39/71/16/204397116.db2.gz NIKUKJRCBWLEOB-OAHLLOKOSA-N 0 3 351.450 4.055 50 0 FIAAHN O=C(Nc1ccc(F)c(F)c1)[C@H]1CC12CCN(Cc1ccccc1)CC2 ZINC000011880705 204421025 /nfs/dbraw/zinc/42/10/25/204421025.db2.gz XVIGMJWEVLZPKU-QGZVFWFLSA-N 0 3 356.416 4.206 50 0 FIAAHN Cc1cccc(CNC2CCN(c3ccc(-c4cscn4)cc3)CC2)n1 ZINC000023191651 204798387 /nfs/dbraw/zinc/79/83/87/204798387.db2.gz DATHXAGECZOODL-UHFFFAOYSA-N 0 3 364.518 4.272 50 0 FIAAHN COc1ccc([C@@H](CNc2nc3ccccc3o2)N2CCCCC2)cc1 ZINC000029319911 204898558 /nfs/dbraw/zinc/89/85/58/204898558.db2.gz LDOJUIYKFGCCMD-LJQANCHMSA-N 0 3 351.450 4.476 50 0 FIAAHN Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000028291531 204879476 /nfs/dbraw/zinc/87/94/76/204879476.db2.gz JVMREVHFTMUTPV-GOSISDBHSA-N 0 3 372.534 4.025 50 0 FIAAHN CN1CCC(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 ZINC000036613961 205017031 /nfs/dbraw/zinc/01/70/31/205017031.db2.gz IBMOWFVOLLFUEC-UHFFFAOYSA-N 0 3 352.816 4.241 50 0 FIAAHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(C)cc3)CC2)cc1 ZINC000044933457 205115167 /nfs/dbraw/zinc/11/51/67/205115167.db2.gz CLTVTMNZPKBPSJ-IBGZPJMESA-N 0 3 350.506 4.393 50 0 FIAAHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000044934135 205115629 /nfs/dbraw/zinc/11/56/29/205115629.db2.gz XWJIGYUXUIEOPI-KRWDZBQOSA-N 0 3 354.469 4.224 50 0 FIAAHN C[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000048277645 205154768 /nfs/dbraw/zinc/15/47/68/205154768.db2.gz YNAIQORLTPEIES-NSHDSACASA-N 0 3 373.305 4.216 50 0 FIAAHN COc1cccc(C[C@H]2CCCN2CC(=O)N(c2ccccc2)C(C)C)c1 ZINC000048324961 205158049 /nfs/dbraw/zinc/15/80/49/205158049.db2.gz GGZACVJIZAFUBH-OAQYLSRUSA-N 0 3 366.505 4.144 50 0 FIAAHN COc1ccc(OC)c(CNC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000048314448 205158722 /nfs/dbraw/zinc/15/87/22/205158722.db2.gz UHZJKAMGCZZMMF-UHFFFAOYSA-N 0 3 374.912 4.111 50 0 FIAAHN O=C(c1cccc(Cl)c1)C1CC(=O)Nc2n[nH]c(-c3ccccc3)c21 ZINC000046057910 205131644 /nfs/dbraw/zinc/13/16/44/205131644.db2.gz MESJMSRKVNUWJY-CQSZACIVSA-N 0 3 351.793 4.039 50 0 FIAAHN Cc1ccc(CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)C)cc1 ZINC000064590916 205302037 /nfs/dbraw/zinc/30/20/37/205302037.db2.gz XOGUVPBXALJTAI-UHFFFAOYSA-N 0 3 369.896 4.315 50 0 FIAAHN COc1ccc(NC(=O)C2=CCN(Cc3cccc(C)c3)CC2)c(C)c1 ZINC000064818033 205305978 /nfs/dbraw/zinc/30/59/78/205305978.db2.gz AREKRJLARVHUDH-UHFFFAOYSA-N 0 3 350.462 4.083 50 0 FIAAHN C/C=C(\CC)c1c(-c2ccccc2)ncn1CCCN1CCN(CC)CC1 ZINC000065536330 205358917 /nfs/dbraw/zinc/35/89/17/205358917.db2.gz HXOROPLRIKPDOZ-LRNAUUFOSA-N 0 3 366.553 4.391 50 0 FIAAHN CCN(CC)Cc1cc([C@H]2CC(=O)Nc3cc(O)c(C)cc32)ccc1OC ZINC000065373629 205341211 /nfs/dbraw/zinc/34/12/11/205341211.db2.gz OYSLKQIKMHWGNY-QGZVFWFLSA-N 0 3 368.477 4.025 50 0 FIAAHN Cc1cc(C2CCCN2C(=O)Nc2cccc(-n3cccc3)c2C)on1 ZINC000095504294 205772370 /nfs/dbraw/zinc/77/23/70/205772370.db2.gz IKURMPDBFBWREL-GOSISDBHSA-N 0 3 350.422 4.451 50 0 FIAAHN O=C(NCC1CCN(Cc2ccsc2)CC1)c1cc2ccccc2o1 ZINC000043971648 206063093 /nfs/dbraw/zinc/06/30/93/206063093.db2.gz XTHIOZYBCAWSQJ-UHFFFAOYSA-N 0 3 354.475 4.136 50 0 FIAAHN O[C@@H](CNCc1ccccc1OCc1ccccc1)c1ccccc1F ZINC000238055722 206112488 /nfs/dbraw/zinc/11/24/88/206112488.db2.gz OSLFAPBLYYGDRP-NRFANRHFSA-N 0 3 351.421 4.228 50 0 FIAAHN CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000004263231 206172805 /nfs/dbraw/zinc/17/28/05/206172805.db2.gz AGJKXCLKJGOAQN-MRXNPFEDSA-N 0 3 354.277 4.255 50 0 FIAAHN COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 ZINC000004028393 206163476 /nfs/dbraw/zinc/16/34/76/206163476.db2.gz TYAVZDOMPJDABU-LOHSHHQESA-N 0 3 369.505 4.099 50 0 biogenic FIAAHN CCN(Cc1ccccc1)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O ZINC000006353485 206200843 /nfs/dbraw/zinc/20/08/43/206200843.db2.gz COXMTCPIAWJHBS-UHFFFAOYSA-N 0 3 366.461 4.288 50 0 FIAAHN O=C(CN[C@H]1CCCc2ccccc21)Nc1ccccc1Br ZINC000003283067 206233312 /nfs/dbraw/zinc/23/33/12/206233312.db2.gz YINGCJSGZDFBSW-INIZCTEOSA-N 0 3 359.267 4.055 50 0 FIAAHN COCCn1ccnc1[C@H]1CCCN(c2ccnc3c(C)c(C)ccc23)C1 ZINC000095527025 132214581 /nfs/dbraw/zinc/21/45/81/132214581.db2.gz LPBNLGMQETYEOK-SFHVURJKSA-N 0 3 364.493 4.079 50 0 FIAAHN C[C@@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)c1cc(F)ccc1F ZINC000095962419 132216594 /nfs/dbraw/zinc/21/65/94/132216594.db2.gz BHDHBRMXRZHIHO-OAHLLOKOSA-N 0 3 359.464 4.350 50 0 FIAAHN Cc1cc(N2CCC[C@@H](CCC(N)=O)C2)c2cc(C(F)(F)F)ccc2n1 ZINC000096140005 132220185 /nfs/dbraw/zinc/22/01/85/132220185.db2.gz RXELDFFETPITCY-ZDUSSCGKSA-N 0 3 365.399 4.044 50 0 FIAAHN CC(=O)c1cc(CN2CCC[C@H](N(C)CCc3ccccc3)C2)cs1 ZINC000020598841 518276367 /nfs/dbraw/zinc/27/63/67/518276367.db2.gz UJIVFSOXRSFFPB-FQEVSTJZSA-N 0 3 356.535 4.090 50 0 FIAAHN CCC(CC)n1nccc1C(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000089943222 521648772 /nfs/dbraw/zinc/64/87/72/521648772.db2.gz CTZKYNYAZNMUEN-FQEVSTJZSA-N 0 3 356.514 4.057 50 0 FIAAHN CC[C@H](CO)NCc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020573390 522227583 /nfs/dbraw/zinc/22/75/83/522227583.db2.gz ZDCBEIVNJXJLIB-QGZVFWFLSA-N 0 3 363.885 4.097 50 0 FIAAHN CN(Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H]1Cc2ccccc2O1 ZINC000019794899 523161843 /nfs/dbraw/zinc/16/18/43/523161843.db2.gz ILXXAZGTZQJQMY-GOSISDBHSA-N 0 3 359.429 4.258 50 0 FIAAHN CCn1ccnc1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000091444967 523523646 /nfs/dbraw/zinc/52/36/46/523523646.db2.gz HZAJJBVTVJFYOT-UHFFFAOYSA-N 0 3 353.388 4.181 50 0 FIAAHN Cc1cc(C)n2ncc(CN3CCCC[C@@H]3CCc3cccc(O)c3)c2n1 ZINC000216460321 524572814 /nfs/dbraw/zinc/57/28/14/524572814.db2.gz BYKFZVOATGLZGW-HXUWFJFHSA-N 0 3 364.493 4.039 50 0 FIAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN[C@@H]1CCOC1 ZINC000020599838 525013865 /nfs/dbraw/zinc/01/38/65/525013865.db2.gz OROLVYJDVJSTIV-QGZVFWFLSA-N 0 3 369.415 4.004 50 0 FIAAHN Cc1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2n1 ZINC000089583137 525272830 /nfs/dbraw/zinc/27/28/30/525272830.db2.gz RMPMKFCEOSREAL-IBGZPJMESA-N 0 3 353.491 4.090 50 0 FIAAHN Cc1cc2oc(=O)cc(CN(C)CCc3ccccn3)c2cc1C(C)C ZINC000089608974 525690445 /nfs/dbraw/zinc/69/04/45/525690445.db2.gz YBJIOMUDLNVGKU-UHFFFAOYSA-N 0 3 350.462 4.294 50 0 FIAAHN Clc1ccc(OCCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020118055 526957556 /nfs/dbraw/zinc/95/75/56/526957556.db2.gz UVPXRIOENKDWNV-UHFFFAOYSA-N 0 3 358.913 4.317 50 0 FIAAHN Cn1cc(NC(=O)c2ccc([C@H]3CCCN3CC3CCCC3)s2)cn1 ZINC000020168781 527273268 /nfs/dbraw/zinc/27/32/68/527273268.db2.gz YTRCQOFJLVBHFQ-MRXNPFEDSA-N 0 3 358.511 4.061 50 0 FIAAHN Cc1ccccc1-c1ncc(CN2CCC(Cn3ccnc3)CC2)s1 ZINC000215240023 568059666 /nfs/dbraw/zinc/05/96/66/568059666.db2.gz VEFBWSTYRQURCV-UHFFFAOYSA-N 0 3 352.507 4.227 50 0 FIAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CCCC[C@@H]1c1nccs1 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ZINC000008192388 204322259 /nfs/dbraw/zinc/32/22/59/204322259.db2.gz WIBKEFAVEJUDEI-UHFFFAOYSA-N 0 3 362.473 4.065 50 0 FIAAHN COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCSc3ccccc32)cc1 ZINC000008328998 204327542 /nfs/dbraw/zinc/32/75/42/204327542.db2.gz LVPYIAZWVJZZBR-RDTXWAMCSA-N 0 3 356.491 4.239 50 0 FIAAHN CN(C)Cc1ccc(CNC(=O)c2ccc(C3SCCS3)cc2)cc1 ZINC000008431232 204330964 /nfs/dbraw/zinc/33/09/64/204330964.db2.gz HVNJDMZSOSNHFZ-UHFFFAOYSA-N 0 3 372.559 4.157 50 0 FIAAHN C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000007546223 204300092 /nfs/dbraw/zinc/30/00/92/204300092.db2.gz UWIONZDQQKLGDV-ZBUBOIOXSA-N 0 3 352.522 4.201 50 0 FIAAHN Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1CN(C)C ZINC000009917507 204385748 /nfs/dbraw/zinc/38/57/48/204385748.db2.gz QGQLGVJSTIVENZ-UHFFFAOYSA-N 0 3 359.473 4.049 50 0 FIAAHN C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Br)cc1 ZINC000012788018 204495822 /nfs/dbraw/zinc/49/58/22/204495822.db2.gz DMNDUPZFTARMOY-SJKOYZFVSA-N 0 3 359.267 4.053 50 0 FIAAHN CCN(CC)[C@@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1 ZINC000036692883 205019917 /nfs/dbraw/zinc/01/99/17/205019917.db2.gz BOKYVDOWQVRBRG-KRWDZBQOSA-N 0 3 362.420 4.101 50 0 FIAAHN CCC(=O)N(c1cccc(OC)c1)C1CCN(Cc2cccc(C)c2)CC1 ZINC000037570664 205029946 /nfs/dbraw/zinc/02/99/46/205029946.db2.gz INNIYZQKDGFNEJ-UHFFFAOYSA-N 0 3 366.505 4.411 50 0 FIAAHN CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000047302289 205145171 /nfs/dbraw/zinc/14/51/71/205145171.db2.gz BWYCZMMBCUGQOO-SFHVURJKSA-N 0 3 350.506 4.338 50 0 FIAAHN Cc1ccc(-n2nnnc2C2(NC3CCCCC3)CCC(C)CC2)cc1 ZINC000046078305 205131578 /nfs/dbraw/zinc/13/15/78/205131578.db2.gz NSYVRUOKQJQJQD-UHFFFAOYSA-N 0 3 353.514 4.298 50 0 FIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000051329952 205181742 /nfs/dbraw/zinc/18/17/42/205181742.db2.gz QCNFXBFFQZTQHX-SFHVURJKSA-N 0 3 367.518 4.494 50 0 FIAAHN Cc1ccc(CN(CCN(C)C)Cc2ccc([C@@H]3CCCCO3)o2)s1 ZINC000055060458 205205259 /nfs/dbraw/zinc/20/52/59/205205259.db2.gz JCAOKGCNLNZNBD-IBGZPJMESA-N 0 3 362.539 4.455 50 0 FIAAHN Cc1noc(C)c1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000065493904 205355375 /nfs/dbraw/zinc/35/53/75/205355375.db2.gz BSNBRXICDQVVTQ-UHFFFAOYSA-N 0 3 361.445 4.102 50 0 FIAAHN COc1ccc2[nH]cc(C3CCN(C[C@@H](O)c4ccc(F)cc4)CC3)c2c1 ZINC000065518577 205357927 /nfs/dbraw/zinc/35/79/27/205357927.db2.gz XCBIDBUCUGYESX-JOCHJYFZSA-N 0 3 368.452 4.229 50 0 FIAAHN c1ccc2ncc(-c3cc([C@@H]4CCN(Cc5cncnc5)C4)ccn3)cc2c1 ZINC000065366174 205339862 /nfs/dbraw/zinc/33/98/62/205339862.db2.gz NDQQDINFKAUXKY-HXUWFJFHSA-N 0 3 367.456 4.076 50 0 FIAAHN C/C=C(\CC)c1c(-c2ccccc2)ncn1C[C@@H](CC)N1CCN(C)CC1 ZINC000065399378 205346686 /nfs/dbraw/zinc/34/66/86/205346686.db2.gz BEMPTICGTUDWEK-WTBJVOFZSA-N 0 3 366.553 4.389 50 0 FIAAHN C/C=C(\CC)c1c(-c2ccccc2)ncn1C[C@H](CC)N1CCN(C)CC1 ZINC000065399377 205347470 /nfs/dbraw/zinc/34/74/70/205347470.db2.gz BEMPTICGTUDWEK-IJIFQXLKSA-N 0 3 366.553 4.389 50 0 FIAAHN Cc1ccnc(C[C@H](C)N(C)Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067841372 205395366 /nfs/dbraw/zinc/39/53/66/205395366.db2.gz XFXIZHAWAAVUCR-SFHVURJKSA-N 0 3 371.488 4.163 50 0 FIAAHN Cc1c(F)cccc1CN1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC000095388662 205749369 /nfs/dbraw/zinc/74/93/69/205749369.db2.gz SXRXZFXNVRYLPC-FQEVSTJZSA-N 0 3 366.480 4.115 50 0 FIAAHN C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1ccc2ccn(C)c2c1 ZINC000095389394 205751521 /nfs/dbraw/zinc/75/15/21/205751521.db2.gz NOMBIKDGVSYIDR-OAHLLOKOSA-N 0 3 358.445 4.402 50 0 FIAAHN Cc1ccc(-n2cc(CN3CCN(C)[C@@H](C)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000107006836 206017082 /nfs/dbraw/zinc/01/70/82/206017082.db2.gz FPYHEOQFRJSJIJ-FQEVSTJZSA-N 0 3 374.532 4.292 50 0 FIAAHN COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)cc1 ZINC000002119239 206151980 /nfs/dbraw/zinc/15/19/80/206151980.db2.gz HSKOMYSWFSXSNI-MHXAIHSWSA-N 0 3 367.489 4.019 50 0 biogenic FIAAHN Cc1nccn1-c1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cn1 ZINC000180033675 206311215 /nfs/dbraw/zinc/31/12/15/206311215.db2.gz PPFMCNIPUWSJCH-FQEVSTJZSA-N 0 3 352.869 4.470 50 0 FIAAHN c1cc(CN2CCc3[nH]c4ccccc4c3C2)sc1CN1CCCC1 ZINC000216136460 206355647 /nfs/dbraw/zinc/35/56/47/206355647.db2.gz GXOGXSDBUVIETG-UHFFFAOYSA-N 0 3 351.519 4.384 50 0 FIAAHN CC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1 ZINC000022620350 206387296 /nfs/dbraw/zinc/38/72/96/206387296.db2.gz WDMSZBJXFVEZBV-FGZHOGPDSA-N 0 3 366.505 4.142 50 0 FIAAHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 ZINC000022783964 206392062 /nfs/dbraw/zinc/39/20/62/206392062.db2.gz XJCNDGXHTKEXLE-CQSZACIVSA-N 0 3 356.267 4.486 50 0 FIAAHN CC(C)Oc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023128047 206402597 /nfs/dbraw/zinc/40/25/97/206402597.db2.gz MOJCPZFQBOARJQ-UHFFFAOYSA-N 0 3 372.534 4.177 50 0 FIAAHN O=C1CC2(CN1Cc1ccccc1)CCN(c1ccnc3ccccc31)CC2 ZINC000077392028 132183264 /nfs/dbraw/zinc/18/32/64/132183264.db2.gz PZCZBEBMWKYSQT-UHFFFAOYSA-N 0 3 371.484 4.254 50 0 FIAAHN c1cn(Cc2cccnc2)c([C@H]2CCCN(c3ccnc4ccccc43)C2)n1 ZINC000092066354 132206161 /nfs/dbraw/zinc/20/61/61/132206161.db2.gz YZVBYMIENDWIRJ-IBGZPJMESA-N 0 3 369.472 4.259 50 0 FIAAHN Cc1ccccc1-c1cccc(N2CCC(N3CCN(C)[C@@H](C)C3)CC2)c1 ZINC000105987930 132239360 /nfs/dbraw/zinc/23/93/60/132239360.db2.gz ULULUYDYVLTJLR-FQEVSTJZSA-N 0 3 363.549 4.267 50 0 FIAAHN Cc1cc(NC(=O)C2CCN(c3ccncc3)CC2)ccc1Br ZINC000033128965 136117394 /nfs/dbraw/zinc/11/73/94/136117394.db2.gz LKNXRRHIKMYTDJ-UHFFFAOYSA-N 0 3 374.282 4.008 50 0 FIAAHN CC1CCN(C[C@H](O)CN2c3ccccc3Sc3ccccc32)CC1 ZINC000000706984 521018898 /nfs/dbraw/zinc/01/88/98/521018898.db2.gz VDTHHHLGCXKCAO-KRWDZBQOSA-N 0 3 354.519 4.382 50 0 biogenic FIAAHN Cc1cccc(-c2ccc(N3CCC(NCc4nccn4C)CC3)cc2)c1 ZINC000020117755 524107904 /nfs/dbraw/zinc/10/79/04/524107904.db2.gz BHISGWJMDBJKSW-UHFFFAOYSA-N 0 3 360.505 4.154 50 0 FIAAHN C[C@H](c1cccs1)[N@H+](C)Cc1ccc(-c2nc3c(c(=O)[n-]2)CCC3)cc1 ZINC000019840952 526153968 /nfs/dbraw/zinc/15/39/68/526153968.db2.gz QVVNKSGITPAFJF-CQSZACIVSA-N 0 3 365.502 4.180 50 0 FIAAHN C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(-c2nc3c(c(=O)[n-]2)CCC3)cc1 ZINC000019840952 526153971 /nfs/dbraw/zinc/15/39/71/526153971.db2.gz QVVNKSGITPAFJF-CQSZACIVSA-N 0 3 365.502 4.180 50 0 FIAAHN CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)c(OC)cc1C)NCC2 ZINC000000718296 568130369 /nfs/dbraw/zinc/13/03/69/568130369.db2.gz RLQWVVKVUMGCBB-JOCHJYFZSA-N 0 3 355.478 4.345 50 0 FIAAHN Clc1ccc(-c2nnc(NCCN3CCCC3)c3ccccc32)cc1 ZINC000000754661 568181355 /nfs/dbraw/zinc/18/13/55/568181355.db2.gz CGRKUVBDRMBTHL-UHFFFAOYSA-N 0 3 352.869 4.458 50 0 FIAAHN CCn1ccc2cc(CN3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)ccc21 ZINC000092028700 570445404 /nfs/dbraw/zinc/44/54/04/570445404.db2.gz IEWXDMNEXQSRBN-JTHBVZDNSA-N 0 3 374.532 4.153 50 0 FIAAHN CCn1ccc2cc(CN3C[C@H]4CC[C@@H]3CN(Cc3ccccn3)C4)ccc21 ZINC000095362508 570454505 /nfs/dbraw/zinc/45/45/05/570454505.db2.gz CDHIDBBCADXADB-NZQKXSOJSA-N 0 3 374.532 4.153 50 0 FIAAHN Fc1ccc([C@@H]2CN(c3ccc4ccccc4n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095379360 570458195 /nfs/dbraw/zinc/45/81/95/570458195.db2.gz DXHUFIKIRJEVLE-TUACAJSNSA-N 0 3 373.475 4.441 50 0 FIAAHN O=C(c1cccc2ccccc21)N1CCN(C2C3CC4CC(C3)CC2C4)CC1 ZINC000000860313 570461442 /nfs/dbraw/zinc/46/14/42/570461442.db2.gz QXICBBYAYIYWNH-UHFFFAOYSA-N 0 3 374.528 4.422 50 0 FIAAHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCCCc2cccnc2)c1 ZINC000095498352 570462276 /nfs/dbraw/zinc/46/22/76/570462276.db2.gz SKCHBJFPBMNLQF-GOSISDBHSA-N 0 3 366.509 4.210 50 0 FIAAHN O=C(Nc1cccc(-c2ccc(F)cc2)c1)N1CC[C@@H](N2CCCC2)C1 ZINC000096166463 570478704 /nfs/dbraw/zinc/47/87/04/570478704.db2.gz GFOBWLATCJZNQE-HXUWFJFHSA-N 0 3 353.441 4.195 50 0 FIAAHN c1cc(-c2ccccc2)sc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000097527969 570489774 /nfs/dbraw/zinc/48/97/74/570489774.db2.gz ZIJJKVXVWDZYKJ-LJQANCHMSA-N 0 3 356.535 4.102 50 0 FIAAHN c1cc(-c2ccccc2)sc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000097527970 570489874 /nfs/dbraw/zinc/48/98/74/570489874.db2.gz ZIJJKVXVWDZYKJ-IBGZPJMESA-N 0 3 356.535 4.102 50 0 FIAAHN OC1(c2cccnc2)CCN(Cc2ccc(-c3ccccc3F)cc2)CC1 ZINC000097785651 570495195 /nfs/dbraw/zinc/49/51/95/570495195.db2.gz UYMAVIGVWRKHAQ-UHFFFAOYSA-N 0 3 362.448 4.371 50 0 FIAAHN O=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)CC[C@@]1(O)c1ccccc1 ZINC000001233058 570495758 /nfs/dbraw/zinc/49/57/58/570495758.db2.gz OEKWFEXLVMTFGD-ILBGXUMGSA-N 0 3 371.480 4.279 50 0 FIAAHN Cc1ccsc1CN(C(=O)N[C@H]1CCCN(C2CCCC2)C1)C1CC1 ZINC000584903017 570509921 /nfs/dbraw/zinc/50/99/21/570509921.db2.gz LHBJCLHJGCBBTN-INIZCTEOSA-N 0 3 361.555 4.138 50 0 FIAAHN O=C(NC1CC1)[C@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669642 570527207 /nfs/dbraw/zinc/52/72/07/570527207.db2.gz BYGVPQASNMCXRJ-GHTZIAJQSA-N 0 3 352.453 4.058 50 0 FIAAHN Cn1ccnc1CNC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000072289893 570537698 /nfs/dbraw/zinc/53/76/98/570537698.db2.gz YJILGQRXPVYOAS-UHFFFAOYSA-N 0 3 362.315 4.218 50 0 FIAAHN O=C(N[C@H]1CCCN(CC2CCCCC2)C1)c1c(F)cccc1Cl ZINC000011840969 570596308 /nfs/dbraw/zinc/59/63/08/570596308.db2.gz TZLATAVDCRSYLD-HNNXBMFYSA-N 0 3 352.881 4.254 50 0 FIAAHN COc1ccc(Cl)cc1-c1ccc(C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000426436542 570605878 /nfs/dbraw/zinc/60/58/78/570605878.db2.gz KQFFSGHZDLXRHQ-UHFFFAOYSA-N 0 3 372.896 4.182 50 0 FIAAHN CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CCCCC2)c1=O ZINC000022697246 570680780 /nfs/dbraw/zinc/68/07/80/570680780.db2.gz KSWBEOWHZNYQMA-HXUWFJFHSA-N 0 3 372.534 4.179 50 0 FIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1CCCC1 ZINC000011661457 570704044 /nfs/dbraw/zinc/70/40/44/570704044.db2.gz IQFUHDDEQWIAPL-IBGZPJMESA-N 0 3 360.517 4.119 50 0 FIAAHN COc1ccccc1/C=C/CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000011873168 570710480 /nfs/dbraw/zinc/71/04/80/570710480.db2.gz RSJOHAKQJCTECE-YRNVUSSQSA-N 0 3 351.490 4.026 50 0 FIAAHN CCOc1ccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011932948 570711886 /nfs/dbraw/zinc/71/18/86/570711886.db2.gz ZNHOFYCTVQSROP-QFIPXVFZSA-N 0 3 357.469 4.042 50 0 FIAAHN CCOCc1cc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)ccc1OC ZINC000012074657 570716403 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CCCCOC(C(=O)O[C@H](C)CN(C)C)(c1ccccc1)c1ccccc1 ZINC000003683407 204110589 /nfs/dbraw/zinc/11/05/89/204110589.db2.gz CSHBTSAPSFHEQN-LJQANCHMSA-N 0 3 369.505 4.240 50 0 FIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cc1ccc(Cl)cc1 ZINC000004646324 204151298 /nfs/dbraw/zinc/15/12/98/204151298.db2.gz WBQWVPDUTMEBJJ-QUCCMNQESA-N 0 3 354.881 4.025 50 0 FIAAHN CCc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000004679622 204154117 /nfs/dbraw/zinc/15/41/17/204154117.db2.gz KRWJBRROCMRXOU-UHFFFAOYSA-N 0 3 350.506 4.120 50 0 FIAAHN O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCc2ccccc2C1 ZINC000004744929 204160653 /nfs/dbraw/zinc/16/06/53/204160653.db2.gz AIDVFHXNZPTHIL-HXUWFJFHSA-N 0 3 368.908 4.137 50 0 FIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(C)o3)=NN12 ZINC000004899339 204173513 /nfs/dbraw/zinc/17/35/13/204173513.db2.gz CTNHNBRKPPUWNI-LJQANCHMSA-N 0 3 365.477 4.334 50 0 FIAAHN COc1ccc(Cl)cc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000007850427 204309192 /nfs/dbraw/zinc/30/91/92/204309192.db2.gz 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/nfs/dbraw/zinc/62/75/56/204627556.db2.gz BHGQQHLLQVUZDL-PKOBYXMFSA-N 0 3 366.530 4.383 50 0 FIAAHN O[C@H](COCc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000036096825 205002699 /nfs/dbraw/zinc/00/26/99/205002699.db2.gz PWFRWKZEUGDSAU-DEOSSOPVSA-N 0 3 361.485 4.267 50 0 FIAAHN COc1ccc(CN(Cc2cccc(C)c2)C[C@H](O)COCC(C)C)cc1 ZINC000036095324 205003664 /nfs/dbraw/zinc/00/36/64/205003664.db2.gz QXUPDCCRHSWEHL-QFIPXVFZSA-N 0 3 371.521 4.039 50 0 FIAAHN Cc1ccccc1CN(Cc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036104681 205005455 /nfs/dbraw/zinc/00/54/55/205005455.db2.gz MPIULADRAMKCAJ-JOCHJYFZSA-N 0 3 359.485 4.170 50 0 FIAAHN COc1cccc(CN(CCC(C)C)C[C@H](O)COc2ccccc2C)c1 ZINC000036100353 205005511 /nfs/dbraw/zinc/00/55/11/205005511.db2.gz PXIAMNJAXRFWMU-NRFANRHFSA-N 0 3 371.521 4.292 50 0 FIAAHN CSc1ccccc1CN1CCC(CNC(=O)[C@H]2CC=CCC2)CC1 ZINC000075170379 205035975 /nfs/dbraw/zinc/03/59/75/205035975.db2.gz VFNINAGSDTZSKM-SFHVURJKSA-N 0 3 358.551 4.093 50 0 FIAAHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)c1 ZINC000044934129 205115639 /nfs/dbraw/zinc/11/56/39/205115639.db2.gz ZLBTVSOQRWEGLL-KRWDZBQOSA-N 0 3 354.469 4.224 50 0 FIAAHN Oc1cccc(CN2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1 ZINC000043083317 205100659 /nfs/dbraw/zinc/10/06/59/205100659.db2.gz POGCYYHHZJWZFG-HNNXBMFYSA-N 0 3 369.415 4.440 50 0 FIAAHN O=C(Nc1cccc2cccnc21)NC1CCN(Cc2ccccc2)CC1 ZINC000043529690 205104272 /nfs/dbraw/zinc/10/42/72/205104272.db2.gz IZSPZHIIWICXTK-UHFFFAOYSA-N 0 3 360.461 4.021 50 0 FIAAHN CCN(CC)[C@@H](CNC(=O)c1cn(C)c2ccccc12)c1ccsc1 ZINC000048299809 205157280 /nfs/dbraw/zinc/15/72/80/205157280.db2.gz RRSSGAGWCSJGBG-IBGZPJMESA-N 0 3 355.507 4.053 50 0 FIAAHN CN(C)Cc1cccc(NC(=O)c2cccnc2Nc2cccc(F)c2)c1 ZINC000052674848 205187605 /nfs/dbraw/zinc/18/76/05/205187605.db2.gz AIESOYGDQKVUAO-UHFFFAOYSA-N 0 3 364.424 4.278 50 0 FIAAHN COc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1Cl ZINC000057354918 205237160 /nfs/dbraw/zinc/23/71/60/205237160.db2.gz JGJOVLVBTHRPIK-UHFFFAOYSA-N 0 3 358.825 4.172 50 0 FIAAHN COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2cccc3ccccc32)c1 ZINC000057369662 205238064 /nfs/dbraw/zinc/23/80/64/205238064.db2.gz WHDLDMFWGDOQPP-HNNXBMFYSA-N 0 3 364.445 4.146 50 0 FIAAHN c1c2ccccc2oc1-c1cc([C@H]2CCN(Cc3cncnc3)C2)ccn1 ZINC000065460831 205352337 /nfs/dbraw/zinc/35/23/37/205352337.db2.gz RIGSLSCANOOLSG-IBGZPJMESA-N 0 3 356.429 4.274 50 0 FIAAHN c1ccc2ncc(-c3cc([C@H]4CCN(Cc5cncnc5)C4)ccn3)cc2c1 ZINC000065366175 205339028 /nfs/dbraw/zinc/33/90/28/205339028.db2.gz NDQQDINFKAUXKY-FQEVSTJZSA-N 0 3 367.456 4.076 50 0 FIAAHN c1ccc(C(c2[nH]nc3c2CN(C[C@@H]2CCCO2)CC3)c2ccccc2)cc1 ZINC000067649062 205378298 /nfs/dbraw/zinc/37/82/98/205378298.db2.gz NHOLWZVCNVOTIM-FQEVSTJZSA-N 0 3 373.500 4.127 50 0 FIAAHN COc1cccc(-c2noc3c2CN(CCc2c[nH]c4ccccc24)CC3)c1 ZINC000067755602 205388478 /nfs/dbraw/zinc/38/84/78/205388478.db2.gz ZDDIBTPOKFFBKP-UHFFFAOYSA-N 0 3 373.456 4.432 50 0 FIAAHN Clc1ccc(-c2noc3c2CN(CCCc2cccnc2)CC3)cc1 ZINC000067788138 205392025 /nfs/dbraw/zinc/39/20/25/205392025.db2.gz MLQASUTZYCPUJV-UHFFFAOYSA-N 0 3 353.853 4.381 50 0 FIAAHN O=C(NCC1CCN(Cc2ccsc2)CC1)Nc1ccccc1Cl ZINC000043972195 206062074 /nfs/dbraw/zinc/06/20/74/206062074.db2.gz FRETWLPHNISOOG-UHFFFAOYSA-N 0 3 363.914 4.435 50 0 FIAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC(C)C)c(OC)c1 ZINC000001322538 206147329 /nfs/dbraw/zinc/14/73/29/206147329.db2.gz VERCWWZLHSTYDY-NRFANRHFSA-N 0 3 366.461 4.207 50 0 biogenic FIAAHN CCCOC(=O)c1ccc2[nH]c(C)c(CN3CCCCCC3)c(=O)c2c1 ZINC000008717199 206217239 /nfs/dbraw/zinc/21/72/39/206217239.db2.gz DZBHJUWBGIUSAJ-UHFFFAOYSA-N 0 3 356.466 4.192 50 0 FIAAHN O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000008863150 206219406 /nfs/dbraw/zinc/21/94/06/206219406.db2.gz HETOAMDALXHPFY-GOSISDBHSA-N 0 3 364.461 4.373 50 0 FIAAHN Fc1ccc2nc([C@@H]3CCCN3Cc3cccc(-n4cccn4)c3)[nH]c2c1 ZINC000216263289 206357834 /nfs/dbraw/zinc/35/78/34/206357834.db2.gz QFKYZTDDRXHPEU-FQEVSTJZSA-N 0 3 361.424 4.225 50 0 FIAAHN Cc1cc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)c(-c2ccccc2)o1 ZINC000019953233 206333117 /nfs/dbraw/zinc/33/31/17/206333117.db2.gz MGLXXHCGSRSLPV-UHFFFAOYSA-N 0 3 372.428 4.321 50 0 FIAAHN CN(Cc1cc(-c2ccncc2)no1)Cc1cc(CN2CCCC2)cs1 ZINC000215709370 206349801 /nfs/dbraw/zinc/34/98/01/206349801.db2.gz FINVAGMFBHEANS-UHFFFAOYSA-N 0 3 368.506 4.026 50 0 FIAAHN O[C@@H](CNCc1ccccc1OCc1ccccc1)c1cccc(F)c1 ZINC000311965032 206367247 /nfs/dbraw/zinc/36/72/47/206367247.db2.gz KCOBKLHBMOEZOU-NRFANRHFSA-N 0 3 351.421 4.228 50 0 FIAAHN FC(F)(F)c1nc2ccccc2c(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000022800505 206392508 /nfs/dbraw/zinc/39/25/08/206392508.db2.gz PELMAAKWDIJXSS-HNNXBMFYSA-N 0 3 372.394 4.335 50 0 FIAAHN O=C(CCN1CCC[C@H]1c1ccsc1)Nc1ccnn1C1CCCC1 ZINC000048235957 221002333 /nfs/dbraw/zinc/00/23/33/221002333.db2.gz XOKUFQXZCXXERQ-KRWDZBQOSA-N 0 3 358.511 4.225 50 0 FIAAHN CC1CCN(C[C@@H](O)CN2c3ccccc3Sc3ccccc32)CC1 ZINC000000706985 521018105 /nfs/dbraw/zinc/01/81/05/521018105.db2.gz VDTHHHLGCXKCAO-QGZVFWFLSA-N 0 3 354.519 4.382 50 0 biogenic FIAAHN CCc1ccccc1NC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000020889754 521892000 /nfs/dbraw/zinc/89/20/00/521892000.db2.gz DARSUGOBLSCUSL-UHFFFAOYSA-N 0 3 369.484 4.422 50 0 FIAAHN Cc1ccc(CNCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000020365909 524572843 /nfs/dbraw/zinc/57/28/43/524572843.db2.gz YVNQTMSLLRGDEI-UHFFFAOYSA-N 0 3 353.412 4.299 50 0 FIAAHN COc1ccc2nc(C)cc(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 ZINC000000759159 537048280 /nfs/dbraw/zinc/04/82/80/537048280.db2.gz ASKCBXWBXOEPCF-UHFFFAOYSA-N 0 3 362.477 4.047 50 0 FIAAHN C[C@@H](NCc1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 ZINC000025356140 568546128 /nfs/dbraw/zinc/54/61/28/568546128.db2.gz FGBMBYJJNUFPSZ-CQSZACIVSA-N 0 3 356.267 4.486 50 0 FIAAHN Cc1nc(C(C)C)sc1C(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000091915451 570442537 /nfs/dbraw/zinc/44/25/37/570442537.db2.gz UHYXSEXMUNCJEN-SFHVURJKSA-N 0 3 371.550 4.169 50 0 FIAAHN COc1ccc(CN(C)CCc2ccccn2)cc1OCc1ccccc1 ZINC000000779522 570455761 /nfs/dbraw/zinc/45/57/61/570455761.db2.gz YZUAPYAOTIKHAI-UHFFFAOYSA-N 0 3 362.473 4.344 50 0 FIAAHN Cc1ccsc1CN1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095383025 570459755 /nfs/dbraw/zinc/45/97/55/570459755.db2.gz FCKDUFBEIYYTCF-ZLGUVYLKSA-N 0 3 374.500 4.397 50 0 FIAAHN CC(C)n1cncc1CN1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000095516586 570466506 /nfs/dbraw/zinc/46/65/06/570466506.db2.gz JJNWGUJUMIAODH-NRFANRHFSA-N 0 3 355.482 4.038 50 0 FIAAHN Cc1cc(O[C@@H](CCN2CCN(C)CC2)c2ccccc2)ccc1Cl ZINC000034727162 570550087 /nfs/dbraw/zinc/55/00/87/570550087.db2.gz SGLZTUFTXHKHNN-NRFANRHFSA-N 0 3 358.913 4.406 50 0 FIAAHN CC(=O)N(CC(C)C)C[C@H]1CN(Cc2ccco2)C[C@@H]1c1cccc(F)c1 ZINC000034740451 570550490 /nfs/dbraw/zinc/55/04/90/570550490.db2.gz AHLMDPORSPYOKC-DENIHFKCSA-N 0 3 372.484 4.139 50 0 FIAAHN COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)N2CCCCCC2)cc1 ZINC000011916633 570600500 /nfs/dbraw/zinc/60/05/00/570600500.db2.gz WXHKBEGVIOSASJ-JOCHJYFZSA-N 0 3 366.505 4.351 50 0 biogenic FIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000011840874 570709421 /nfs/dbraw/zinc/70/94/21/570709421.db2.gz POZACHWQJQWUGV-UHFFFAOYSA-N 0 3 367.489 4.301 50 0 FIAAHN Cc1ccc(C)c(-n2cc(CNC[C@H]3CCCO3)c(-c3ccccc3)n2)c1 ZINC000011844010 570709830 /nfs/dbraw/zinc/70/98/30/570709830.db2.gz FDPHRUHXSITOPE-OAQYLSRUSA-N 0 3 361.489 4.425 50 0 FIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccoc1C ZINC000011951543 570713180 /nfs/dbraw/zinc/71/31/80/570713180.db2.gz WBCASGSVAYUJEK-IBGZPJMESA-N 0 3 372.484 4.144 50 0 FIAAHN CCCn1ncc(CN2CCC[C@@](CO)(CCCc3ccccc3)C2)c1C ZINC000012057686 570715975 /nfs/dbraw/zinc/71/59/75/570715975.db2.gz DVDUPUNBOHUKEI-QHCPKHFHSA-N 0 3 369.553 4.199 50 0 FIAAHN O=C1CC[C@@H](CCNCc2ccccc2F)N1CCc1ccccc1Cl ZINC000012157907 570724088 /nfs/dbraw/zinc/72/40/88/570724088.db2.gz QWYFPOZUWLPFAC-SFHVURJKSA-N 0 3 374.887 4.193 50 0 FIAAHN CC(=O)Nc1ccnn1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000012195132 570726283 /nfs/dbraw/zinc/72/62/83/570726283.db2.gz BGRFKTCIXMQHMC-UHFFFAOYSA-N 0 3 374.488 4.346 50 0 FIAAHN Cc1cccc(-n2cc(CNC[C@H]3CCCO3)c(-c3cccc(F)c3)n2)c1 ZINC000012200973 570727171 /nfs/dbraw/zinc/72/71/71/570727171.db2.gz VRGYYZUVTHSXJM-OAQYLSRUSA-N 0 3 365.452 4.255 50 0 FIAAHN Cc1ccc(C)c(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 ZINC000012299350 570733309 /nfs/dbraw/zinc/73/33/09/570733309.db2.gz PQPMGLZRJKYBNO-UHFFFAOYSA-N 0 3 368.525 4.322 50 0 FIAAHN CCc1ccc2c(CN(C)CCOc3cccc(C)c3)cc(=O)oc2c1 ZINC000012793216 570762219 /nfs/dbraw/zinc/76/22/19/570762219.db2.gz NXSKCQIFTKOSNL-UHFFFAOYSA-N 0 3 351.446 4.175 50 0 FIAAHN Cc1cc(NC(=O)CN[C@H](c2ccccc2)C(C)C)n(-c2ccccc2)n1 ZINC000012994139 570771132 /nfs/dbraw/zinc/77/11/32/570771132.db2.gz ASXRPZQTFQEJNO-QFIPXVFZSA-N 0 3 362.477 4.106 50 0 FIAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 ZINC000014263242 570817272 /nfs/dbraw/zinc/81/72/72/570817272.db2.gz ZLFJVVQRPOEFFB-SFHVURJKSA-N 0 3 369.852 4.028 50 0 FIAAHN CN1CCCC[C@H]1CCSc1nnc(NCCc2cccs2)s1 ZINC000032854540 570822050 /nfs/dbraw/zinc/82/20/50/570822050.db2.gz OIHYORSZUVHICN-ZDUSSCGKSA-N 0 3 368.597 4.221 50 0 FIAAHN C/C=C(\C)CN1CCC(c2nnc(SC)n2-c2cccc(OC)c2)CC1 ZINC000015003371 570828927 /nfs/dbraw/zinc/82/89/27/570828927.db2.gz HGTMCVFXTPHBOY-PJQLUOCWSA-N 0 3 372.538 4.143 50 0 FIAAHN Cc1cc(NC(=O)CCN(Cc2ccc(Cl)c(Cl)c2)C2CC2)no1 ZINC000071950399 570877843 /nfs/dbraw/zinc/87/78/43/570877843.db2.gz FBIJPBUOMIMJDW-UHFFFAOYSA-N 0 3 368.264 4.283 50 0 FIAAHN Cc1ccccc1-c1cccc(CN2CCc3nnc(C(C)C)n3CC2)c1 ZINC000020455098 570916662 /nfs/dbraw/zinc/91/66/62/570916662.db2.gz FYEUBRXSTPYRMJ-UHFFFAOYSA-N 0 3 360.505 4.435 50 0 FIAAHN O=C(Nc1cccc(O)c1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000020745099 570925173 /nfs/dbraw/zinc/92/51/73/570925173.db2.gz SUFMRZVONKUUMY-UHFFFAOYSA-N 0 3 358.441 4.052 50 0 FIAAHN COc1cccc(-c2nc(CNCCc3cc(C)ccc3OC)cs2)c1 ZINC000025638992 570998349 /nfs/dbraw/zinc/99/83/49/570998349.db2.gz IZUAEUGTPOSVOQ-UHFFFAOYSA-N 0 3 368.502 4.468 50 0 FIAAHN CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000027581766 571014395 /nfs/dbraw/zinc/01/43/95/571014395.db2.gz GQONCRCGWWMNMX-JOCHJYFZSA-N 0 3 366.505 4.351 50 0 FIAAHN CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000027793111 571021141 /nfs/dbraw/zinc/02/11/41/571021141.db2.gz DNQBOPKQVGXJSG-OAQYLSRUSA-N 0 3 366.505 4.351 50 0 FIAAHN CC(C)Oc1ccc([C@H](O)CNCc2ccccc2C(F)(F)F)cc1 ZINC000072286592 571041562 /nfs/dbraw/zinc/04/15/62/571041562.db2.gz MPPSEMWUIGXGRV-GOSISDBHSA-N 0 3 353.384 4.316 50 0 FIAAHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1cccc(Br)c1 ZINC000028925752 571043582 /nfs/dbraw/zinc/04/35/82/571043582.db2.gz ZBEIIRSKZMWFGQ-CQSZACIVSA-N 0 3 356.267 4.486 50 0 FIAAHN C[C@@H]1C[C@H]1c1ccc(CN(CCC(=O)N2CCc3ccccc32)C2CC2)o1 ZINC000030152794 571045903 /nfs/dbraw/zinc/04/59/03/571045903.db2.gz SNIDRVQYHGVCNS-OXQOHEQNSA-N 0 3 364.489 4.347 50 0 FIAAHN CN(c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1)C1CCN(C)CC1 ZINC000083877532 571055749 /nfs/dbraw/zinc/05/57/49/571055749.db2.gz KUWJPONVNRNOSB-UHFFFAOYSA-N 0 3 374.435 4.139 50 0 FIAAHN CN(CC(F)F)C1CCN(CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000072308772 571066422 /nfs/dbraw/zinc/06/64/22/571066422.db2.gz BSVJHBCCDCNSMC-UHFFFAOYSA-N 0 3 354.485 4.024 50 0 FIAAHN COc1ccc([C@@H]2CCCCCN2C[C@H](O)COc2ccccc2F)cc1 ZINC000034894780 571075004 /nfs/dbraw/zinc/07/50/04/571075004.db2.gz IXBUGEWJPBWPTL-RXVVDRJESA-N 0 3 373.468 4.191 50 0 FIAAHN CCN1CCN(c2ccc(NC(=O)N(C)C3CCCCCC3)c(C)c2)CC1 ZINC000040103841 571076651 /nfs/dbraw/zinc/07/66/51/571076651.db2.gz NZJJIMWURQHYCP-UHFFFAOYSA-N 0 3 372.557 4.323 50 0 FIAAHN Cc1ccc2c(CN(C)CCOc3ccccc3C)cc(=O)oc2c1C ZINC000012762379 571082392 /nfs/dbraw/zinc/08/23/92/571082392.db2.gz WPUBNNWWBJUWDP-UHFFFAOYSA-N 0 3 351.446 4.229 50 0 FIAAHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1F ZINC000012772306 571091718 /nfs/dbraw/zinc/09/17/18/571091718.db2.gz GJSGERRNVOZAEL-OAHLLOKOSA-N 0 3 358.432 4.442 50 0 FIAAHN Cc1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1C ZINC000001465468 571116113 /nfs/dbraw/zinc/11/61/13/571116113.db2.gz CGRZMNFYFYJXES-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/27/92/80/205279280.db2.gz SAJKZGKJMRMVEF-UHFFFAOYSA-N 0 3 352.503 4.148 50 0 FIAAHN CN1CCC(O)(CCn2cnc(-c3ccccc3)c2-c2ccsc2)CC1 ZINC000065492245 205355242 /nfs/dbraw/zinc/35/52/42/205355242.db2.gz VUEYEDHNQDZETK-UHFFFAOYSA-N 0 3 367.518 4.125 50 0 FIAAHN COc1ccc(CN2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)c(F)c1 ZINC000065499870 205356024 /nfs/dbraw/zinc/35/60/24/205356024.db2.gz RHZUOAHEEPABCO-SFHVURJKSA-N 0 3 363.436 4.281 50 0 FIAAHN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H]1CN1CCCC1 ZINC000066945369 205367427 /nfs/dbraw/zinc/36/74/27/205367427.db2.gz NRSNCPLMVSMSCR-HNNXBMFYSA-N 0 3 358.869 4.300 50 0 FIAAHN CCC[C@H](Nc1nc(-c2cccnc2)nc2c1CCNC2)c1cccs1 ZINC000067513461 205373286 /nfs/dbraw/zinc/37/32/86/205373286.db2.gz ALUVOHNJBIACRJ-INIZCTEOSA-N 0 3 365.506 4.199 50 0 FIAAHN C[C@H](NC1(CNCc2ccc([C@@H]3C[C@@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002570 205892770 /nfs/dbraw/zinc/89/27/70/205892770.db2.gz ZXJCGYDYWHXRHF-BBTUJRGHSA-N 0 3 368.521 4.393 50 0 FIAAHN Cc1ccc(Sc2ccc(NC(=S)NCCN(C)C)cc2)cc1C ZINC000007561498 206210264 /nfs/dbraw/zinc/21/02/64/206210264.db2.gz WYGJASJECKFJSB-UHFFFAOYSA-N 0 3 359.564 4.303 50 0 FIAAHN CC(C)c1noc(C2CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)n1 ZINC000215069732 206344525 /nfs/dbraw/zinc/34/45/25/206344525.db2.gz PNCSLZWYPHNRNV-UHFFFAOYSA-N 0 3 357.483 4.024 50 0 FIAAHN c1ccc2nc(CN3CCC[C@@H](c4nc(-c5cccnc5)no4)C3)ccc2c1 ZINC000215787830 206352754 /nfs/dbraw/zinc/35/27/54/206352754.db2.gz HIJRQRFKNGAMSX-GOSISDBHSA-N 0 3 371.444 4.059 50 0 FIAAHN c1cc(SC2CCCCC2)oc1CN1CCN(c2ccncc2)CC1 ZINC000215184081 132269657 /nfs/dbraw/zinc/26/96/57/132269657.db2.gz ZIVGXFMCYFDWOH-UHFFFAOYSA-N 0 3 357.523 4.422 50 0 FIAAHN Cc1nc(CNC2CCN(c3cccc(-c4cnco4)c3)CC2)sc1C ZINC000023192858 136152547 /nfs/dbraw/zinc/15/25/47/136152547.db2.gz XHJYUJTXQJJZIK-UHFFFAOYSA-N 0 3 368.506 4.174 50 0 FIAAHN COc1cc([C@@H]2NCC[C@]3(O)CCCC[C@H]23)ccc1OCc1ccccc1 ZINC000104835923 222360540 /nfs/dbraw/zinc/36/05/40/222360540.db2.gz ANQFWUAQTULTRG-WTIAFYNJSA-N 0 3 367.489 4.230 50 0 FIAAHN C[C@H]1CN(C)CCCN1C(=O)c1cccc(-c2ccc(OC(F)F)cc2)c1 ZINC000426435472 263591251 /nfs/dbraw/zinc/59/12/51/263591251.db2.gz ZBMMTCDZTVVMIZ-HNNXBMFYSA-N 0 3 374.431 4.121 50 0 FIAAHN C[C@H](c1nccs1)n1cc(-c2cc(CN3CCCCC3)cs2)nn1 ZINC000091444645 526187841 /nfs/dbraw/zinc/18/78/41/526187841.db2.gz VWSSZTWVUJEPFZ-CYBMUJFWSA-N 0 3 359.524 4.058 50 0 FIAAHN Cc1oc(-c2ccsc2)nc1CN1CCCC[C@H]1CCn1cccn1 ZINC000020997869 526751653 /nfs/dbraw/zinc/75/16/53/526751653.db2.gz MPAODTTVIMGIJW-KRWDZBQOSA-N 0 3 356.495 4.353 50 0 FIAAHN Clc1ccc(Cl)c(-c2ccc(CN[C@H]3CN4CCC3CC4)o2)c1 ZINC000020477279 526952868 /nfs/dbraw/zinc/95/28/68/526952868.db2.gz XHCRLPYPMQFBGA-KRWDZBQOSA-N 0 3 351.277 4.437 50 0 FIAAHN OCc1ccc(C[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3F)C2)cc1 ZINC000091621098 527632870 /nfs/dbraw/zinc/63/28/70/527632870.db2.gz GFYVBFJQGCHWCK-MRXNPFEDSA-N 0 3 367.386 4.401 50 0 FIAAHN Fc1cccc([C@@H]2CN(Cc3cccs3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095381380 570458837 /nfs/dbraw/zinc/45/88/37/570458837.db2.gz JAQLZYUAIYHKIP-PWIZWCRZSA-N 0 3 360.473 4.089 50 0 FIAAHN Cc1cccc(-c2ccc(NC(=O)C3CCN(Cc4cnc[nH]4)CC3)cc2)c1 ZINC000095521162 570467607 /nfs/dbraw/zinc/46/76/07/570467607.db2.gz PBLVTBBTHNFQEU-UHFFFAOYSA-N 0 3 374.488 4.236 50 0 FIAAHN O[C@@H](COc1ccc2ccccc2c1)CN1CCC[C@H]1c1cccs1 ZINC000247795854 570488007 /nfs/dbraw/zinc/48/80/07/570488007.db2.gz RDKZWLSCMXBVOZ-QUCCMNQESA-N 0 3 353.487 4.478 50 0 FIAAHN CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739894 570550770 /nfs/dbraw/zinc/55/07/70/570550770.db2.gz ATMUTJWWIXXRMM-UYAOXDASSA-N 0 3 356.897 4.429 50 0 FIAAHN Cc1cccc(CN2CC[C@]3(C2)CCCN(Cc2ccc(F)cc2)C3)n1 ZINC000011844526 570596584 /nfs/dbraw/zinc/59/65/84/570596584.db2.gz LVYZYLAENKTGBV-JOCHJYFZSA-N 0 3 353.485 4.017 50 0 FIAAHN C[C@@H]1CN(C)CCCN1C(=O)c1cccc(-c2ccc(OC(F)F)cc2)c1 ZINC000426435473 570605575 /nfs/dbraw/zinc/60/55/75/570605575.db2.gz ZBMMTCDZTVVMIZ-OAHLLOKOSA-N 0 3 374.431 4.121 50 0 FIAAHN CN(C)CCN(C(=O)c1ccc(-c2ccc(O)cc2)cc1)C1CCCCC1 ZINC000426522862 570614437 /nfs/dbraw/zinc/61/44/37/570614437.db2.gz JFYRSODUIWKXBA-UHFFFAOYSA-N 0 3 366.505 4.396 50 0 FIAAHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2ccc(Br)cc21 ZINC000095635387 570643148 /nfs/dbraw/zinc/64/31/48/570643148.db2.gz YAMWPHXTYUYVHC-UHFFFAOYSA-N 0 3 372.262 4.111 50 0 FIAAHN CC1SC(=N)N(c2ncc(Cc3cccc(Cl)c3Cl)s2)C1=O ZINC000011689755 570705279 /nfs/dbraw/zinc/70/52/79/570705279.db2.gz MPBYJZLMTHNFOO-ZETCQYMHSA-N 0 3 372.302 4.444 50 0 FIAAHN Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1 ZINC000011767033 570706606 /nfs/dbraw/zinc/70/66/06/570706606.db2.gz ZOQHGYHJXNDMQM-UHFFFAOYSA-N 0 3 372.538 4.219 50 0 FIAAHN OC1(Cc2cc(-c3ccccc3)no2)CCN(CCCC(F)(F)F)CC1 ZINC000011813128 570707098 /nfs/dbraw/zinc/70/70/98/570707098.db2.gz GYGHUMJJOHDOCJ-UHFFFAOYSA-N 0 3 368.399 4.054 50 0 FIAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)C1=CCCCC1 ZINC000011838587 570708609 /nfs/dbraw/zinc/70/86/09/570708609.db2.gz HALVQOFPWPEKOU-GOSISDBHSA-N 0 3 358.501 4.039 50 0 FIAAHN Cc1cccc(NC(=O)CCC2CCN(Cc3cccc(C)n3)CC2)c1 ZINC000011821552 570708882 /nfs/dbraw/zinc/70/88/82/570708882.db2.gz KYIMFULUWJNCEW-UHFFFAOYSA-N 0 3 351.494 4.329 50 0 FIAAHN Cc1ccc(CN2CCC3(C[C@@H]3C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000011880204 570711318 /nfs/dbraw/zinc/71/13/18/570711318.db2.gz OGVGTBPELQJOMF-HXUWFJFHSA-N 0 3 352.453 4.375 50 0 FIAAHN CC(C)CCN1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000011880497 570711360 /nfs/dbraw/zinc/71/13/60/570711360.db2.gz JSTCJTGXIXBIKP-HSZRJFAPSA-N 0 3 369.505 4.214 50 0 FIAAHN Cc1ccc(C)c(-n2cc(CNCCn3cccn3)c(-c3ccccc3)n2)c1 ZINC000012457559 570747037 /nfs/dbraw/zinc/74/70/37/570747037.db2.gz AFWJLNSKFQNDPG-UHFFFAOYSA-N 0 3 371.488 4.142 50 0 FIAAHN Cc1cc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c(C)o1 ZINC000012480941 570748691 /nfs/dbraw/zinc/74/86/91/570748691.db2.gz FTWTVHXTNSSLRC-IBGZPJMESA-N 0 3 372.484 4.062 50 0 FIAAHN Cc1ccc(-n2cc(CNC[C@H]3CCCO3)c(-c3cccc(C)c3)n2)cc1 ZINC000012582437 570751508 /nfs/dbraw/zinc/75/15/08/570751508.db2.gz FLYREOXNZGXEQF-JOCHJYFZSA-N 0 3 361.489 4.425 50 0 FIAAHN O=C(C1=CCCCC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2 ZINC000012715119 570757710 /nfs/dbraw/zinc/75/77/10/570757710.db2.gz QDNDPWNXVRHQLE-JOCHJYFZSA-N 0 3 356.485 4.141 50 0 FIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc2c1CCCC2 ZINC000012820940 570764852 /nfs/dbraw/zinc/76/48/52/570764852.db2.gz NSUFNXPTMAHULR-UHFFFAOYSA-N 0 3 354.519 4.021 50 0 FIAAHN Cc1cc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)n(-c2ccccc2)n1 ZINC000012994138 570771346 /nfs/dbraw/zinc/77/13/46/570771346.db2.gz ASXRPZQTFQEJNO-JOCHJYFZSA-N 0 3 362.477 4.106 50 0 FIAAHN Cc1nc(-c2ccccc2)nc(SCCN2CCCCC2)c1[C@H](C)O ZINC000013627687 570781244 /nfs/dbraw/zinc/78/12/44/570781244.db2.gz RYISELPWWYFGEK-INIZCTEOSA-N 0 3 357.523 4.083 50 0 FIAAHN O=C(Cc1ccc2ccccc2c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000032732197 570790671 /nfs/dbraw/zinc/79/06/71/570790671.db2.gz UMCMYPJKIQWFMS-HSZRJFAPSA-N 0 3 358.485 4.336 50 0 FIAAHN CCc1ccc([C@@H](CNC(=O)c2oc3c(cccc3F)c2C)N(C)C)cc1 ZINC000032733745 570790699 /nfs/dbraw/zinc/79/06/99/570790699.db2.gz ZLXMQLZRLTUAKM-LJQANCHMSA-N 0 3 368.452 4.475 50 0 FIAAHN O[C@H](CO[C@H]1CCCc2ccccc21)CN(Cc1ccc(F)cc1)C1CC1 ZINC000032751127 570791505 /nfs/dbraw/zinc/79/15/05/570791505.db2.gz LJICEEKUANFLPZ-GMAHTHKFSA-N 0 3 369.480 4.245 50 0 FIAAHN Fc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000014169271 570809857 /nfs/dbraw/zinc/80/98/57/570809857.db2.gz UPEKWOBKACKKNY-UHFFFAOYSA-N 0 3 358.420 4.363 50 0 FIAAHN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000018180459 570813883 /nfs/dbraw/zinc/81/38/83/570813883.db2.gz QABBWCBZTLWYKF-OAHLLOKOSA-N 0 3 364.276 4.389 50 0 FIAAHN Fc1ccc(-c2csc3ncnc(N4CCN5CCCC[C@@H]5C4)c23)cc1 ZINC000032823951 570816105 /nfs/dbraw/zinc/81/61/05/570816105.db2.gz AHCWRVJCYXMWDS-MRXNPFEDSA-N 0 3 368.481 4.172 50 0 FIAAHN O=C1CC(N(O)c2ccc(Cl)cc2)C(=O)N1c1cccc2ccccc21 ZINC000101094566 570816184 /nfs/dbraw/zinc/81/61/84/570816184.db2.gz MRLLJUFTHQSWEC-SFHVURJKSA-N 0 3 366.804 4.021 50 0 FIAAHN COC(=O)c1ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000032836189 570819129 /nfs/dbraw/zinc/81/91/29/570819129.db2.gz OKKCZWHXKXDGBD-UHFFFAOYSA-N 0 3 367.445 4.147 50 0 FIAAHN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN3C3CCOCC3)c2)c1 ZINC000014957143 570826916 /nfs/dbraw/zinc/82/69/16/570826916.db2.gz AXTYKRPNWRHMLJ-JOCHJYFZSA-N 0 3 364.489 4.244 50 0 FIAAHN C/C=C(\C)C(=O)N(CC(C)C)CC1CCN(Cc2ccccc2OC)CC1 ZINC000015063877 570830497 /nfs/dbraw/zinc/83/04/97/570830497.db2.gz UYJMUSLSMRLHQJ-KPSZGOFPSA-N 0 3 372.553 4.358 50 0 FIAAHN O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000015539455 570839848 /nfs/dbraw/zinc/83/98/48/570839848.db2.gz NPFQITMNVNKDMI-XMMPIXPASA-N 0 3 370.496 4.287 50 0 FIAAHN COC[C@@H]1CCCCN1Cc1c[nH]nc1-c1ccc2cc(OC)ccc2c1 ZINC000015961723 570848484 /nfs/dbraw/zinc/84/84/84/570848484.db2.gz HBQRBJVGEOQLEF-FQEVSTJZSA-N 0 3 365.477 4.239 50 0 FIAAHN Cc1[nH]c2c(cccc2C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1C ZINC000024556039 570854513 /nfs/dbraw/zinc/85/45/13/570854513.db2.gz CISIHSWHAQLLCK-OAQYLSRUSA-N 0 3 361.489 4.352 50 0 FIAAHN COc1ccc(CC[C@@H](C)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019636367 570896411 /nfs/dbraw/zinc/89/64/11/570896411.db2.gz JRWLBPIYMWNGQH-VHTFYLNKSA-N 0 3 364.533 4.347 50 0 FIAAHN COc1ccc2oc(=O)cc(CN3CCC(Cc4ccccc4)CC3)c2c1 ZINC000020352987 570914524 /nfs/dbraw/zinc/91/45/24/570914524.db2.gz QGUUDKAYNFXPIS-UHFFFAOYSA-N 0 3 363.457 4.256 50 0 FIAAHN CC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)c1ccccc1 ZINC000022619164 570947610 /nfs/dbraw/zinc/94/76/10/570947610.db2.gz NIJJTCJVWBEVMY-FGZHOGPDSA-N 0 3 366.505 4.142 50 0 FIAAHN CC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)c1ccccc1 ZINC000023182560 570958370 /nfs/dbraw/zinc/95/83/70/570958370.db2.gz XPRRJJDXSXLYTE-VXKWHMMOSA-N 0 3 368.521 4.388 50 0 FIAAHN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000024757770 570981308 /nfs/dbraw/zinc/98/13/08/570981308.db2.gz JZTHDLIFBQZNPF-CXAGYDPISA-N 0 3 358.869 4.261 50 0 FIAAHN O=c1cc(CN(Cc2ccc(F)cc2)C2CCCCC2)nc2ccccn12 ZINC000026867055 571008337 /nfs/dbraw/zinc/00/83/37/571008337.db2.gz ILKAMPFQCBQMAA-UHFFFAOYSA-N 0 3 365.452 4.169 50 0 FIAAHN COc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCCCC2)cc1 ZINC000027793230 571021050 /nfs/dbraw/zinc/02/10/50/571021050.db2.gz BCLDRCXKVCLZJW-JOCHJYFZSA-N 0 3 366.505 4.351 50 0 biogenic FIAAHN CCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028289289 571029706 /nfs/dbraw/zinc/02/97/06/571029706.db2.gz RSDLSTZTZHZNLZ-HXUWFJFHSA-N 0 3 368.521 4.416 50 0 FIAAHN CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)cc1 ZINC000028291902 571030350 /nfs/dbraw/zinc/03/03/50/571030350.db2.gz QLMCLUIXUUAHKS-NRFANRHFSA-N 0 3 354.494 4.288 50 0 FIAAHN C[C@H](NCc1ccc(-n2ccnc2)cc1)c1cccc(Br)c1 ZINC000028925753 571043562 /nfs/dbraw/zinc/04/35/62/571043562.db2.gz ZBEIIRSKZMWFGQ-AWEZNQCLSA-N 0 3 356.267 4.486 50 0 FIAAHN O=C(Nc1ccc(F)cc1)c1ccc(SCCN2CCCCC2)nc1 ZINC000033115217 571062542 /nfs/dbraw/zinc/06/25/42/571062542.db2.gz GPNOTBIICLTECA-UHFFFAOYSA-N 0 3 359.470 4.051 50 0 FIAAHN Cc1ccc(OCCCCN2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000022309702 571071494 /nfs/dbraw/zinc/07/14/94/571071494.db2.gz VXYRBOXQVGCESX-UHFFFAOYSA-N 0 3 352.522 4.280 50 0 FIAAHN O=C(c1cccc(Cl)c1Cl)N1CCC[C@@H](NCc2ccccc2)C1 ZINC000084539303 571088277 /nfs/dbraw/zinc/08/82/77/571088277.db2.gz WDTLKLSGRLBWPC-OAHLLOKOSA-N 0 3 363.288 4.388 50 0 FIAAHN CC(C)(CNC(=O)c1cccc2c3c([nH]c21)CCCC3)N1CCCCC1 ZINC000069568932 571099307 /nfs/dbraw/zinc/09/93/07/571099307.db2.gz UVQKZFIVHHEUHL-UHFFFAOYSA-N 0 3 353.510 4.041 50 0 FIAAHN O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[NH+]3CCCC3)cc2)[n-]1 ZINC000048112468 571108043 /nfs/dbraw/zinc/10/80/43/571108043.db2.gz LVDCWESYBAGPCN-UHFFFAOYSA-N 0 3 365.864 4.353 50 0 FIAAHN CC(C)c1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2Cc2ccccc2)no1 ZINC000241124324 571109647 /nfs/dbraw/zinc/10/96/47/571109647.db2.gz JHIYMHXVYJMBBP-VQTJNVASSA-N 0 3 367.493 4.067 50 0 FIAAHN c1ncn(Cc2ccccc2)c1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000244899533 571119846 /nfs/dbraw/zinc/11/98/46/571119846.db2.gz ZLFDTWXWILWWAJ-JOCHJYFZSA-N 0 3 360.505 4.314 50 0 FIAAHN Cc1c(Cl)c(CN2CCC[C@@H](c3ccnn3C)C2)nc2ccccc12 ZINC000071808721 571126102 /nfs/dbraw/zinc/12/61/02/571126102.db2.gz FNHVYVMBVJKBOF-OAHLLOKOSA-N 0 3 354.885 4.310 50 0 FIAAHN CCN(Cc1ccc(OC)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862348 571138829 /nfs/dbraw/zinc/13/88/29/571138829.db2.gz XOWFBAOVMZTNHW-UHFFFAOYSA-N 0 3 350.462 4.176 50 0 FIAAHN CCNc1ncc(CN2CCC[C@H](CCc3ccc(F)cc3F)C2)cn1 ZINC000071753733 571165270 /nfs/dbraw/zinc/16/52/70/571165270.db2.gz ZEYWVQKRNYULDI-OAHLLOKOSA-N 0 3 360.452 4.031 50 0 FIAAHN CC(C)Nc1ncc(CN2CCC[C@H](CCc3ccc(F)cc3)C2)cn1 ZINC000071768095 571166322 /nfs/dbraw/zinc/16/63/22/571166322.db2.gz MTEIXBVYMCPPGF-GOSISDBHSA-N 0 3 356.489 4.281 50 0 FIAAHN CN(C)[C@@H](CNC(=O)NCc1cccs1)c1csc2ccccc21 ZINC000575621691 571173250 /nfs/dbraw/zinc/17/32/50/571173250.db2.gz RDDQAGMDXSLPKG-INIZCTEOSA-N 0 3 359.520 4.065 50 0 FIAAHN CC(C)Cn1cncc1CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000072148712 571174141 /nfs/dbraw/zinc/17/41/41/571174141.db2.gz OBICVWSHOOMTTR-RJGXRXQPSA-N 0 3 367.537 4.191 50 0 FIAAHN COc1cccc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000072158940 571175296 /nfs/dbraw/zinc/17/52/96/571175296.db2.gz OTQOEZXCCXWXTP-UHFFFAOYSA-N 0 3 365.395 4.198 50 0 FIAAHN CCCCc1nc(CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c[nH]1 ZINC000072432805 571196066 /nfs/dbraw/zinc/19/60/66/571196066.db2.gz BYEAFWBFBZNCFD-QNWVGRARSA-N 0 3 367.537 4.405 50 0 FIAAHN CCCCc1ncc(CN2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)[nH]1 ZINC000072432805 571196067 /nfs/dbraw/zinc/19/60/67/571196067.db2.gz BYEAFWBFBZNCFD-QNWVGRARSA-N 0 3 367.537 4.405 50 0 FIAAHN CC(C)[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000072437163 571196467 /nfs/dbraw/zinc/19/64/67/571196467.db2.gz WEYKPLAJWPOUFE-JOCHJYFZSA-N 0 3 350.506 4.412 50 0 FIAAHN COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C ZINC000072441723 571197026 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ZINC000009916991 207289856 /nfs/dbraw/zinc/28/98/56/207289856.db2.gz UXTZFYRWIFEEIC-UHFFFAOYSA-N 0 3 361.489 4.038 50 0 FIAAHN CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(Cc2ccncc2)C1 ZINC000011667776 207317958 /nfs/dbraw/zinc/31/79/58/207317958.db2.gz URIXNCQETQDPKP-PQCQUMGKSA-N 0 3 364.489 4.330 50 0 FIAAHN Cc1c([C@H](C)NCc2ccc(-n3cccn3)cc2)cnn1-c1ccccc1 ZINC000012000518 207333503 /nfs/dbraw/zinc/33/35/03/207333503.db2.gz DPGJKTOFUCQNBM-KRWDZBQOSA-N 0 3 357.461 4.217 50 0 FIAAHN Cc1ccsc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012112099 207338022 /nfs/dbraw/zinc/33/80/22/207338022.db2.gz TZQLPFJQPROAKO-OAQYLSRUSA-N 0 3 372.509 4.324 50 0 FIAAHN Cc1c(CN2CCC(CO)(C[C@@H]3CCCCO3)CC2)[nH]c2ccc(C)cc12 ZINC000012227048 207350405 /nfs/dbraw/zinc/35/04/05/207350405.db2.gz UALDBRJEZANGIH-IBGZPJMESA-N 0 3 370.537 4.318 50 0 FIAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)CCc4ccco4)C3)C2)c1 ZINC000012299600 207356202 /nfs/dbraw/zinc/35/62/02/207356202.db2.gz CHTCTOJKFCMDIM-HSZRJFAPSA-N 0 3 366.505 4.035 50 0 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/nfs/dbraw/zinc/28/11/56/571281156.db2.gz SJKHTIQIARXALY-JOCHJYFZSA-N 0 3 369.509 4.184 50 0 FIAAHN CNc1ccc(-c2ccc(C(=O)N(C)CCN3CCCCCC3)cc2)cc1 ZINC000584886016 571313701 /nfs/dbraw/zinc/31/37/01/571313701.db2.gz MJWDDSQNTJXQHT-UHFFFAOYSA-N 0 3 365.521 4.343 50 0 FIAAHN Cc1ccc(-c2cccc3c(C(=O)NCCN4CCCC4)cc(C)nc23)cc1 ZINC000021535103 571334938 /nfs/dbraw/zinc/33/49/38/571334938.db2.gz QDSFGGFQHSKADZ-UHFFFAOYSA-N 0 3 373.500 4.344 50 0 FIAAHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000056342989 571340440 /nfs/dbraw/zinc/34/04/40/571340440.db2.gz FWNPKUIEMJRGNI-UHFFFAOYSA-N 0 3 372.469 4.031 50 0 FIAAHN CN(C)CCOc1ccc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000056664290 571341409 /nfs/dbraw/zinc/34/14/09/571341409.db2.gz GOAJRMSECGPVOJ-LJQANCHMSA-N 0 3 373.884 4.089 50 0 FIAAHN Cc1ccc(NC(=S)N(CCN(C)C)[C@H](C)c2cccnc2)c(C)c1 ZINC000002933966 571341965 /nfs/dbraw/zinc/34/19/65/571341965.db2.gz FBFRHJCDBDMRLQ-QGZVFWFLSA-N 0 3 356.539 4.020 50 0 FIAAHN CCc1cccc(C)c1NC(=S)N(CCN(C)C)[C@@H](C)c1cccnc1 ZINC000002934059 571341986 /nfs/dbraw/zinc/34/19/86/571341986.db2.gz DHVYVXGBPUNUCD-KRWDZBQOSA-N 0 3 370.566 4.274 50 0 FIAAHN CC(=O)Nc1ccc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C(C)C)cc1 ZINC000057383483 571343048 /nfs/dbraw/zinc/34/30/48/571343048.db2.gz LTNUFKMUXOUMMM-FQEVSTJZSA-N 0 3 373.884 4.224 50 0 FIAAHN CSc1cccc(NC(=S)N(CCN(C)C)[C@H](C)c2ccco2)c1 ZINC000003036817 571343881 /nfs/dbraw/zinc/34/38/81/571343881.db2.gz FVFCNFWRWXDJGX-CQSZACIVSA-N 0 3 363.552 4.323 50 0 FIAAHN C[C@@H](c1ccncc1)N(CCN(C)C)C(=S)Nc1ccccc1Cl ZINC000003049923 571344174 /nfs/dbraw/zinc/34/41/74/571344174.db2.gz LIOVGLGLTNYDNN-AWEZNQCLSA-N 0 3 362.930 4.057 50 0 FIAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN(C)CCc1ccccn1 ZINC000003999486 571353755 /nfs/dbraw/zinc/35/37/55/571353755.db2.gz HVDXBYCQTJYUKM-LUBSMZHTSA-N 0 3 368.521 4.014 50 0 biogenic FIAAHN [O-]c1c(C[NH+]2CCCCC2)cc(CN2CCCCC2)nc1-c1ccccc1 ZINC000003877551 1088744067 /nfs/dbraw/zinc/74/40/67/1088744067.db2.gz DQQXHXLOHVKCSN-UHFFFAOYSA-N 0 3 365.521 4.426 50 0 FIAAHN CN1CCC[C@@H](NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000106133226 1091623357 /nfs/dbraw/zinc/62/33/57/1091623357.db2.gz DUYYCHVSCIUKRF-WOJBJXKFSA-N 0 3 371.912 4.017 50 0 FIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=S)Nc1cccc(F)c1 ZINC000003999495 209406217 /nfs/dbraw/zinc/40/62/17/209406217.db2.gz BKNGBUQFFHWDRU-HKUYNNGSSA-N 0 3 355.482 4.139 50 0 biogenic FIAAHN CN(C)[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000044225435 209316469 /nfs/dbraw/zinc/31/64/69/209316469.db2.gz RSNTWSUOUOVUNP-QFIPXVFZSA-N 0 3 373.500 4.378 50 0 FIAAHN COCCc1ncc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cn1 ZINC000102006349 209231760 /nfs/dbraw/zinc/23/17/60/209231760.db2.gz AZWODWNEZOJOPS-ACDBMABISA-N 0 3 369.484 4.024 50 0 FIAAHN Fc1ccc(COc2ccc(-c3nc4c([nH]3)CNCC4)cc2Cl)cc1 ZINC000097696390 209193427 /nfs/dbraw/zinc/19/34/27/209193427.db2.gz GQABBIYBPCXHEE-UHFFFAOYSA-N 0 3 357.816 4.094 50 0 FIAAHN CN(CCN1CCCCCC1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000097155661 209172941 /nfs/dbraw/zinc/17/29/41/209172941.db2.gz DEUISSZVGZPDSN-UHFFFAOYSA-N 0 3 352.478 4.007 50 0 FIAAHN COc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1 ZINC000004510540 207023336 /nfs/dbraw/zinc/02/33/36/207023336.db2.gz HKOFYQMCTLNRRX-KRWDZBQOSA-N 0 3 361.869 4.196 50 0 FIAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000004863054 207055904 /nfs/dbraw/zinc/05/59/04/207055904.db2.gz VTJAYVRBDLHSKT-IBGZPJMESA-N 0 3 367.880 4.305 50 0 FIAAHN COc1ccc(Cc2sc(Nc3ccc(C(C)C)cc3)nc2O)cc1 ZINC000005807930 207117845 /nfs/dbraw/zinc/11/78/45/207117845.db2.gz YTMCNMNODNXHII-GOSISDBHSA-N 0 3 354.475 4.471 50 0 FIAAHN COc1ccc(CC2SC(Nc3ccc(C(C)C)cc3)=NC2=O)cc1 ZINC000005807930 207117849 /nfs/dbraw/zinc/11/78/49/207117849.db2.gz YTMCNMNODNXHII-GOSISDBHSA-N 0 3 354.475 4.471 50 0 FIAAHN COc1ccc([C@@H](CNc2ncnc3sc(C)c(C)c32)N(C)C)cc1 ZINC000006628143 207150351 /nfs/dbraw/zinc/15/03/51/207150351.db2.gz HGLOPJZRUUMYDY-MRXNPFEDSA-N 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KPOMOQCZFUZOEG-QGZVFWFLSA-N 0 3 357.885 4.292 50 0 FIAAHN CCOc1ccc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000011932947 207329596 /nfs/dbraw/zinc/32/95/96/207329596.db2.gz ZNHOFYCTVQSROP-JOCHJYFZSA-N 0 3 357.469 4.042 50 0 FIAAHN CCOC(=O)C1(CC2CC2)CCN(Cc2ccc(OC)c(C)c2C)CC1 ZINC000011997445 207332518 /nfs/dbraw/zinc/33/25/18/207332518.db2.gz YBOYCGVUOLHOIT-UHFFFAOYSA-N 0 3 359.510 4.257 50 0 FIAAHN Cc1ccc2nc(OCc3ccccc3Cl)c(CNC[C@@H](C)O)cc2c1 ZINC000012149423 207344331 /nfs/dbraw/zinc/34/43/31/207344331.db2.gz SXPANEOWRTZZOC-OAHLLOKOSA-N 0 3 370.880 4.246 50 0 FIAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCC(F)(F)F)C2)cc1 ZINC000012192046 207346641 /nfs/dbraw/zinc/34/66/41/207346641.db2.gz SMOHDPZZXDYOAH-SFHVURJKSA-N 0 3 370.459 4.308 50 0 FIAAHN OCCN(Cc1c[nH]nc1-c1cccc2ccccc21)Cc1ccccc1 ZINC000012302059 207356082 /nfs/dbraw/zinc/35/60/82/207356082.db2.gz ILONJZMLJCBOMH-UHFFFAOYSA-N 0 3 357.457 4.224 50 0 FIAAHN COc1ccc(N[C@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)cc1 ZINC000012305337 207357516 /nfs/dbraw/zinc/35/75/16/207357516.db2.gz IDJGDZHBKBTDJC-IBGZPJMESA-N 0 3 356.514 4.166 50 0 FIAAHN CC(C)=CCN1CCC(C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000012320853 207361964 /nfs/dbraw/zinc/36/19/64/207361964.db2.gz JNLQXSJBKYLDFK-UHFFFAOYSA-N 0 3 365.477 4.491 50 0 FIAAHN CCOC(=O)C1(CC2CC2)CCN(Cc2c(C)[nH]c3ccccc32)CC1 ZINC000012387266 207367751 /nfs/dbraw/zinc/36/77/51/207367751.db2.gz QEWLWXIOEQFHGZ-UHFFFAOYSA-N 0 3 354.494 4.422 50 0 FIAAHN COc1c(Cl)cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1Cl ZINC000021869875 207785721 /nfs/dbraw/zinc/78/57/21/207785721.db2.gz QVJFYTNJYMDNMN-INIZCTEOSA-N 0 3 367.276 4.035 50 0 FIAAHN CCOC(=O)[C@@H]1CCCN(Cc2cncc(-c3ccc(CC)cc3)c2)C1 ZINC000034670394 208104707 /nfs/dbraw/zinc/10/47/07/208104707.db2.gz KNNDZQOQNPGBRF-HXUWFJFHSA-N 0 3 352.478 4.086 50 0 FIAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COC(C)(C)C)cc1 ZINC000036101991 208146998 /nfs/dbraw/zinc/14/69/98/208146998.db2.gz XENFZVNOJDPDJA-OAQYLSRUSA-N 0 3 359.485 4.312 50 0 FIAAHN O=C(c1cccc(CN2CCC(Cc3ccccc3)CC2)c1)N1CCCC1 ZINC000037547290 208181891 /nfs/dbraw/zinc/18/18/91/208181891.db2.gz GTAQVJLOHZXIJN-UHFFFAOYSA-N 0 3 362.517 4.377 50 0 FIAAHN CCN(CC)[C@H](CNC(=O)c1cccc2cccnc21)c1ccsc1 ZINC000040089494 208225187 /nfs/dbraw/zinc/22/51/87/208225187.db2.gz SLWVDIMZEDVMDE-GOSISDBHSA-N 0 3 353.491 4.109 50 0 FIAAHN CC(C)c1ccc(OCC(=O)Nc2ccccc2CN2CCCC2)cc1 ZINC000040090885 208225939 /nfs/dbraw/zinc/22/59/39/208225939.db2.gz NTQKXBFKMNHMHP-UHFFFAOYSA-N 0 3 352.478 4.423 50 0 FIAAHN COc1ccc([C@@H]2CCCN2Cc2ccc(-n3cccn3)cc2)cc1OC ZINC000045004521 208325888 /nfs/dbraw/zinc/32/58/88/208325888.db2.gz KBQOFIFHYZHLDA-FQEVSTJZSA-N 0 3 363.461 4.227 50 0 FIAAHN CCN(CC)Cc1ccccc1NC(=O)N(C)Cc1ccc(OC)cc1 ZINC000047568498 208380789 /nfs/dbraw/zinc/38/07/89/208380789.db2.gz OVOZBDHRQABYTC-UHFFFAOYSA-N 0 3 355.482 4.201 50 0 FIAAHN Fc1ccc(/C=C/CN2CCC(n3cc(C4CCCC4)nn3)CC2)cc1 ZINC000055042264 208461993 /nfs/dbraw/zinc/46/19/93/208461993.db2.gz TTWVNLYASWKJNC-ONEGZZNKSA-N 0 3 354.473 4.425 50 0 FIAAHN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000095385634 209044148 /nfs/dbraw/zinc/04/41/48/209044148.db2.gz NXHXVJRWXYVBRN-CQSZACIVSA-N 0 3 360.383 4.479 50 0 FIAAHN Cc1ccc(F)c(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c1 ZINC000095389221 209045399 /nfs/dbraw/zinc/04/53/99/209045399.db2.gz JRFUSMIRKJETKB-GHTZIAJQSA-N 0 3 356.460 4.370 50 0 FIAAHN Cc1cccc2cc(C(=O)N3C[C@H]4CC[C@@H]3CN(Cc3ccccc3)C4)oc21 ZINC000095368575 209033782 /nfs/dbraw/zinc/03/37/82/209033782.db2.gz IGAIIUFPTUKOAM-PZJWPPBQSA-N 0 3 374.484 4.478 50 0 FIAAHN CN1CCCCC[C@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000095376969 209038880 /nfs/dbraw/zinc/03/88/80/209038880.db2.gz JUFGEWHXUYEDPB-QFIPXVFZSA-N 0 3 350.506 4.199 50 0 FIAAHN Cc1nc2ccccc2nc1CN1C[C@H]2CC[C@H](CN2Cc2ccccc2)C1 ZINC000095386382 209043647 /nfs/dbraw/zinc/04/36/47/209043647.db2.gz XQZNEMZCMDKQQB-LEWJYISDSA-N 0 3 372.516 4.035 50 0 FIAAHN CN(C)C[C@@H](NCc1c(-c2ccccc2)nc2ccccn21)c1ccccc1 ZINC000095406253 209049422 /nfs/dbraw/zinc/04/94/22/209049422.db2.gz WRQIOPUOMJVHBX-OAQYLSRUSA-N 0 3 370.500 4.394 50 0 FIAAHN CCc1nc(C)sc1CNC(=O)Nc1ccccc1CN1CCCCC1 ZINC000095504067 209063833 /nfs/dbraw/zinc/06/38/33/209063833.db2.gz UEKPGZYRKYJDFF-UHFFFAOYSA-N 0 3 372.538 4.322 50 0 FIAAHN C[C@@H]1CC(=O)CC[C@@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000095943499 209088878 /nfs/dbraw/zinc/08/88/78/209088878.db2.gz HXVIOPYTQXPYCV-BEFAXECRSA-N 0 3 353.466 4.195 50 0 FIAAHN C[C@@](O)(CN1CC[C@H](Nc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000070009398 221330561 /nfs/dbraw/zinc/33/05/61/221330561.db2.gz JTDMWLQTBXHRFN-RBUKOAKNSA-N 0 3 364.411 4.099 50 0 FIAAHN C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)cc1 ZINC000095967698 132216506 /nfs/dbraw/zinc/21/65/06/132216506.db2.gz QQPPVMUGNIJHLJ-CVEARBPZSA-N 0 3 359.464 4.128 50 0 FIAAHN Cc1ccc(N2CCC3(CCCN3Cc3ccc(Cl)s3)CC2)nn1 ZINC000072462574 136148744 /nfs/dbraw/zinc/14/87/44/136148744.db2.gz UFZLBDSVGICJBZ-UHFFFAOYSA-N 0 3 362.930 4.135 50 0 FIAAHN 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CCc1cc2c(nc(CC)nc2N2CCN(C3CCCCC3)CC2)s1 ZINC000041090144 536158632 /nfs/dbraw/zinc/15/86/32/536158632.db2.gz OBGYKMMLIXLMFM-UHFFFAOYSA-N 0 3 358.555 4.271 50 0 FIAAHN Cc1ccc(-c2ccccc2CN2CCN(C3CCSCC3)CC2)o1 ZINC000215458734 568071720 /nfs/dbraw/zinc/07/17/20/568071720.db2.gz PANXIWMIYMCVAY-UHFFFAOYSA-N 0 3 356.535 4.268 50 0 FIAAHN O=C(c1cccc2c(Cl)cccc12)N1CCC(N2CCSCC2)CC1 ZINC000215577687 568077861 /nfs/dbraw/zinc/07/78/61/568077861.db2.gz RCHCSWOEADBUFL-UHFFFAOYSA-N 0 3 374.937 4.147 50 0 FIAAHN O[C@H](COC[C@H]1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000000795278 568237452 /nfs/dbraw/zinc/23/74/52/568237452.db2.gz YNYFYZRFYNNBDF-ZEQRLZLVSA-N 0 3 365.517 4.423 50 0 FIAAHN CC(C)C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000034288751 568589087 /nfs/dbraw/zinc/58/90/87/568589087.db2.gz WRPFPNIHTOSMKU-UHFFFAOYSA-N 0 3 350.506 4.383 50 0 in-vitro FIAAHN COc1cccc([C@H](C)N(C)Cc2ccc(OC)c(OC(F)F)c2)c1 ZINC000072309096 570522275 /nfs/dbraw/zinc/52/22/75/570522275.db2.gz IAJLYLUEIQNBPH-ZDUSSCGKSA-N 0 3 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O=C(NCCCC[C@@H]1CCCO1)Nc1cccc(CN2CCCCC2)c1 ZINC000299778274 571197373 /nfs/dbraw/zinc/19/73/73/571197373.db2.gz OQSBVKTYERNCKH-HXUWFJFHSA-N 0 3 359.514 4.143 50 0 FIAAHN O=C(NCCCC[C@H]1CCCO1)Nc1cccc(CN2CCCCC2)c1 ZINC000299778259 571197403 /nfs/dbraw/zinc/19/74/03/571197403.db2.gz OQSBVKTYERNCKH-FQEVSTJZSA-N 0 3 359.514 4.143 50 0 FIAAHN CNc1cc(C)nc(N[C@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072462793 571197882 /nfs/dbraw/zinc/19/78/82/571197882.db2.gz YWHRTVVCTIATCU-FQEVSTJZSA-N 0 3 367.541 4.102 50 0 FIAAHN CC[C@H]1C=CCN1C(=O)c1cccc(-c2ccc(CN3CCCC3)cn2)c1 ZINC000534649941 571207211 /nfs/dbraw/zinc/20/72/11/571207211.db2.gz OBLXQFLDVAJODB-NRFANRHFSA-N 0 3 361.489 4.135 50 0 FIAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2N(C)C)cc1 ZINC000077355762 571208663 /nfs/dbraw/zinc/20/86/63/571208663.db2.gz CJEJNLYBBBSQIE-NRFANRHFSA-N 0 3 365.521 4.182 50 0 FIAAHN O=C1CC2(CN1Cc1ccc(Cl)cc1)CCN(Cc1ccsc1)CC2 ZINC000077358872 571208967 /nfs/dbraw/zinc/20/89/67/571208967.db2.gz AOPHAEOQTJRWIV-UHFFFAOYSA-N 0 3 374.937 4.416 50 0 FIAAHN CN(Cc1cc(-c2cccnc2)no1)Cc1cc(CN2CCCC2)cs1 ZINC000077423574 571211243 /nfs/dbraw/zinc/21/12/43/571211243.db2.gz TVOLODLRLSJDOG-UHFFFAOYSA-N 0 3 368.506 4.026 50 0 FIAAHN CN(C)CCOCCO[C@@H](c1ccccc1)c1ccccc1C(F)(F)F ZINC000002031023 571212107 /nfs/dbraw/zinc/21/21/07/571212107.db2.gz SCTSKNWRDQSSGQ-IBGZPJMESA-N 0 3 367.411 4.390 50 0 FIAAHN Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)ccc1[O-] ZINC000077488887 571213505 /nfs/dbraw/zinc/21/35/05/571213505.db2.gz SDAIUNGVXAAWQN-FQEVSTJZSA-N 0 3 352.478 4.130 50 0 FIAAHN Cc1nc(-c2ccccc2)c(C(=O)N2CCCN(C3CCCC3)CC2)s1 ZINC000082087513 571227650 /nfs/dbraw/zinc/22/76/50/571227650.db2.gz QTKAAEGXJAQLTI-UHFFFAOYSA-N 0 3 369.534 4.209 50 0 FIAAHN O=C1CC[C@]2(CCCN(Cc3ccccc3)C2)CN1CCc1ccccc1 ZINC000082108073 571228359 /nfs/dbraw/zinc/22/83/59/571228359.db2.gz VJDPDAKKDNIATB-DEOSSOPVSA-N 0 3 362.517 4.134 50 0 FIAAHN Cc1cc(-c2cccc(C(=O)N(C)C3CCN(C)CC3)c2)ccc1Cl ZINC000426502870 571228992 /nfs/dbraw/zinc/22/89/92/571228992.db2.gz IQBQRLCOYASISQ-UHFFFAOYSA-N 0 3 356.897 4.482 50 0 FIAAHN O=C(Nc1cccnc1SCCN1CCCCC1)c1cccc(F)c1 ZINC000064754569 571240801 /nfs/dbraw/zinc/24/08/01/571240801.db2.gz YJTKLDJNZAVZLG-UHFFFAOYSA-N 0 3 359.470 4.051 50 0 FIAAHN CCCn1c2ncccc2nc1[C@H]1CCN(Cc2cccc(OCC)c2)C1 ZINC000065285360 571260058 /nfs/dbraw/zinc/26/00/58/571260058.db2.gz SKIMUHUYGKQWGU-SFHVURJKSA-N 0 3 364.493 4.230 50 0 FIAAHN CC[NH+]1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(C)cc1)N2 ZINC000065298472 571260859 /nfs/dbraw/zinc/26/08/59/571260859.db2.gz DQJZECBKDVGELC-FQEVSTJZSA-N 0 3 363.505 4.036 50 0 biogenic FIAAHN O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cccc(CN2CCCC2)c1 ZINC000065488803 571263982 /nfs/dbraw/zinc/26/39/82/571263982.db2.gz USCJPAXDOSNTJG-IBGZPJMESA-N 0 3 370.880 4.189 50 0 FIAAHN CO[C@@H](CNCc1c(C)nn(-c2ccc(F)cc2F)c1C)c1ccccc1 ZINC000071821855 571270482 /nfs/dbraw/zinc/27/04/82/571270482.db2.gz HYEIBDFWKNWRTL-NRFANRHFSA-N 0 3 371.431 4.245 50 0 FIAAHN CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(-c3ccccc3)cs1)CC2 ZINC000093614238 571327137 /nfs/dbraw/zinc/32/71/37/571327137.db2.gz MLKOXRCJAFZQFT-PMACEKPBSA-N 0 3 357.519 4.167 50 0 FIAAHN C[C@H](c1ccco1)N(CCN(C)C)C(=S)Nc1ccccc1Cl ZINC000003047154 571344053 /nfs/dbraw/zinc/34/40/53/571344053.db2.gz JMQRPCHCRMWVQE-CYBMUJFWSA-N 0 3 351.903 4.255 50 0 FIAAHN CSc1cccc(NC(=S)N(CCN(C)C)[C@H](C)c2ccncc2)c1 ZINC000003050159 571344145 /nfs/dbraw/zinc/34/41/45/571344145.db2.gz WDERZBUQGWLODL-OAHLLOKOSA-N 0 3 374.579 4.125 50 0 FIAAHN COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)cc1 ZINC000004028461 571354236 /nfs/dbraw/zinc/35/42/36/571354236.db2.gz HSKOMYSWFSXSNI-LUBSMZHTSA-N 0 3 367.489 4.019 50 0 biogenic FIAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2ccccc2c1 ZINC000008115082 571359031 /nfs/dbraw/zinc/35/90/31/571359031.db2.gz ZLAQVCGLHRZUQV-LJQANCHMSA-N 0 3 350.487 4.468 50 0 FIAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2ccccc2c1 ZINC000008115081 571359054 /nfs/dbraw/zinc/35/90/54/571359054.db2.gz ZLAQVCGLHRZUQV-IBGZPJMESA-N 0 3 350.487 4.468 50 0 FIAAHN CCOc1cncc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000888100744 1086777359 /nfs/dbraw/zinc/77/73/59/1086777359.db2.gz NIDHGPPEMKEFTO-HNNXBMFYSA-N 0 3 355.413 4.140 50 0 FIAAHN COc1ccc(CNCCc2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000019720711 209610281 /nfs/dbraw/zinc/61/02/81/209610281.db2.gz ULAOLQWSXRZTMV-UHFFFAOYSA-N 0 3 370.276 4.352 50 0 FIAAHN CCCOc1ccc([C@@H]2NCCc3c4cc(OC)ccc4[nH]c32)cc1OC ZINC000002126749 209396275 /nfs/dbraw/zinc/39/62/75/209396275.db2.gz BSCXKXYPXYVBLR-NRFANRHFSA-N 0 3 366.461 4.209 50 0 biogenic FIAAHN CCN1CCC(N(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000048264274 209331344 /nfs/dbraw/zinc/33/13/44/209331344.db2.gz GACAZAGHXDTHBF-XBXARRHUSA-N 0 3 367.320 4.482 50 0 FIAAHN Cc1ccc(C)c(-n2cc(CN3CCN(C)[C@@H](C)C3)c(-c3ccccc3)n2)c1 ZINC000107001593 209274590 /nfs/dbraw/zinc/27/45/90/209274590.db2.gz IOUZZXSLCQBFHL-FQEVSTJZSA-N 0 3 374.532 4.292 50 0 FIAAHN O=C1Nc2ccccc2C12CCN(Cc1ccc([C@H]3CCCO3)s1)CC2 ZINC000097696207 209193108 /nfs/dbraw/zinc/19/31/08/209193108.db2.gz XANDZLBCHJRWFY-GOSISDBHSA-N 0 3 368.502 4.086 50 0 FIAAHN Clc1ccc(-c2ncc(CN3CCC4(CCOCC4)CC3)cn2)cc1 ZINC000097632007 209190525 /nfs/dbraw/zinc/19/05/25/209190525.db2.gz XCQUKJMTXZDNHM-UHFFFAOYSA-N 0 3 357.885 4.190 50 0 FIAAHN Cc1nc(C)c(CC(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)s1 ZINC000097578682 209187653 /nfs/dbraw/zinc/18/76/53/209187653.db2.gz GSKWCKYXQPMWCJ-IBGZPJMESA-N 0 3 371.550 4.036 50 0 FIAAHN CN1CC[C@]2(CCN(C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)C2)C1 ZINC000097528899 209184343 /nfs/dbraw/zinc/18/43/43/209184343.db2.gz PDMVDEFSIVSMRR-NRFANRHFSA-N 0 3 369.440 4.178 50 0 FIAAHN CCN(CC)Cc1cccc(NC(=O)N(C)[C@@H](C)Cc2cc(C)ccn2)c1 ZINC000097272506 209176990 /nfs/dbraw/zinc/17/69/90/209176990.db2.gz ZHBXFYQQOIEKCW-SFHVURJKSA-N 0 3 368.525 4.327 50 0 FIAAHN CN(Cc1ccc(CN2CCCCC2)s1)Cc1cnc2ccccc2n1 ZINC000097076663 209168391 /nfs/dbraw/zinc/16/83/91/209168391.db2.gz XBBYWNMYVZKXND-UHFFFAOYSA-N 0 3 366.534 4.309 50 0 FIAAHN O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCN(Cc2ccccc2)CC1 ZINC000004324497 207014262 /nfs/dbraw/zinc/01/42/62/207014262.db2.gz RJQDUNOIDPEFQR-UHFFFAOYSA-N 0 3 366.549 4.374 50 0 FIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c(Cl)cccc1Cl ZINC000004336822 207015379 /nfs/dbraw/zinc/01/53/79/207015379.db2.gz YBHVETPUSQZDTB-UHFFFAOYSA-N 0 3 363.288 4.388 50 0 FIAAHN CCN(CC)CCN(C(=O)c1ccco1)c1nc2cc(C)cc(C)c2s1 ZINC000004359500 207015630 /nfs/dbraw/zinc/01/56/30/207015630.db2.gz JAMMRBIHJIQZQM-UHFFFAOYSA-N 0 3 371.506 4.495 50 0 FIAAHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccccc1Cl ZINC000004510524 207024469 /nfs/dbraw/zinc/02/44/69/207024469.db2.gz PTRSIXQLPFTGCU-QGZVFWFLSA-N 0 3 361.869 4.196 50 0 FIAAHN COc1ccc(CC[C@@H](C)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000004989250 207068970 /nfs/dbraw/zinc/06/89/70/207068970.db2.gz QRGZPLQASYQALR-MRXNPFEDSA-N 0 3 355.478 4.092 50 0 FIAAHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1 ZINC000005019823 207071979 /nfs/dbraw/zinc/07/19/79/207071979.db2.gz VHZAOPIREUQQHQ-GOSISDBHSA-N 0 3 361.869 4.196 50 0 FIAAHN C[C@H]1CCc2c(C(=O)NCCCN3CCc4ccccc4C3)csc2C1 ZINC000005070279 207079385 /nfs/dbraw/zinc/07/93/85/207079385.db2.gz AVVNEWJXYUZRLH-INIZCTEOSA-N 0 3 368.546 4.051 50 0 FIAAHN CN(CCCNC(=O)c1csc2c1CCCCC2)Cc1ccccc1 ZINC000005070431 207079452 /nfs/dbraw/zinc/07/94/52/207079452.db2.gz KMNADKVWRZHANS-UHFFFAOYSA-N 0 3 356.535 4.269 50 0 FIAAHN CCc1nc2ccccc2c(NC(=O)CNC(C)(C)CC(C)(C)C)c1C ZINC000005842053 207119011 /nfs/dbraw/zinc/11/90/11/207119011.db2.gz WGWPYGDQEHKTAY-UHFFFAOYSA-N 0 3 355.526 4.270 50 0 FIAAHN CCNCC(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000006509819 207143958 /nfs/dbraw/zinc/14/39/58/207143958.db2.gz FESFVHJCEOTYDL-OOZRZZCDSA-N 0 3 373.500 4.419 50 0 FIAAHN Cc1cccc(NC(=O)N2CCC[C@@H](CN3CCc4ccccc4C3)C2)c1 ZINC000006877404 207173612 /nfs/dbraw/zinc/17/36/12/207173612.db2.gz DFIVWIGQYWXXAZ-IBGZPJMESA-N 0 3 363.505 4.297 50 0 FIAAHN CC(C)OCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000008338302 207230070 /nfs/dbraw/zinc/23/00/70/207230070.db2.gz VTXVBECVBMRGDI-UHFFFAOYSA-N 0 3 366.505 4.006 50 0 FIAAHN COc1cccc(NC(=O)C[C@@H](C)N[C@H]2CCSc3ccccc32)c1 ZINC000008328528 207230259 /nfs/dbraw/zinc/23/02/59/207230259.db2.gz GBHNLGZJDNHEAB-KDOFPFPSSA-N 0 3 356.491 4.239 50 0 FIAAHN CSc1ccc(CN(C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000008188184 207221867 /nfs/dbraw/zinc/22/18/67/207221867.db2.gz VEAFCFXDONUIOT-SIKLNZKXSA-N 0 3 371.546 4.295 50 0 FIAAHN Fc1ccccc1OCCNCc1ccc(-n2cnc3ccccc32)cc1 ZINC000008725442 207245416 /nfs/dbraw/zinc/24/54/16/207245416.db2.gz PLZHMOJRRXTQDR-UHFFFAOYSA-N 0 3 361.420 4.333 50 0 FIAAHN O[C@@H](COCc1ccccc1)CN(Cc1cccs1)Cc1ccccc1 ZINC000036103315 207263602 /nfs/dbraw/zinc/26/36/02/207263602.db2.gz GXGMBBHZALCCIW-OAQYLSRUSA-N 0 3 367.514 4.328 50 0 FIAAHN O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccsc3)N3CCC[C@@]123 ZINC000011814167 207321743 /nfs/dbraw/zinc/32/17/43/207321743.db2.gz VVBUQSMAADPYIS-QRFRQXIXSA-N 0 3 372.921 4.340 50 0 FIAAHN CC(C)=CCC[C@H](C)CN1CCc2nnc(Cc3ccccc3)n2CC1 ZINC000011909502 207328690 /nfs/dbraw/zinc/32/86/90/207328690.db2.gz RWSVZVWMIKZUIU-IBGZPJMESA-N 0 3 352.526 4.110 50 0 FIAAHN CCOc1cc(CN2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)ccc1OC ZINC000012246377 207351733 /nfs/dbraw/zinc/35/17/33/207351733.db2.gz AIKRFEJUIMLUBV-GOSISDBHSA-N 0 3 371.525 4.395 50 0 FIAAHN CN(C(=O)CCc1ccsc1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012298308 207356537 /nfs/dbraw/zinc/35/65/37/207356537.db2.gz BSWOHASPHHLPMN-OAQYLSRUSA-N 0 3 370.562 4.236 50 0 FIAAHN Nc1nc(SCCN2CCCC2)nc2scc(-c3ccccc3)c21 ZINC000012324520 207361606 /nfs/dbraw/zinc/36/16/06/207361606.db2.gz WKWMGGAORRHSLH-UHFFFAOYSA-N 0 3 356.520 4.128 50 0 FIAAHN Cc1cccc(C(=O)N(C)C[C@@H]2CCCN(CCc3ccccc3F)C2)c1 ZINC000012387118 207368028 /nfs/dbraw/zinc/36/80/28/207368028.db2.gz QJXFORQKZFEZHR-IBGZPJMESA-N 0 3 368.496 4.161 50 0 FIAAHN CCOC(=O)C1(CCOC)CCN(Cc2ccccc2-c2ccco2)CC1 ZINC000012573444 207396131 /nfs/dbraw/zinc/39/61/31/207396131.db2.gz OASJVKVLPSVSCV-UHFFFAOYSA-N 0 3 371.477 4.128 50 0 FIAAHN Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3)cc1 ZINC000012591470 207397905 /nfs/dbraw/zinc/39/79/05/207397905.db2.gz HUFXSUASMFRZCJ-DEOSSOPVSA-N 0 3 362.517 4.432 50 0 FIAAHN O=C(CSCc1ccccc1)NCC1CCN(Cc2cccs2)CC1 ZINC000038584538 207911851 /nfs/dbraw/zinc/91/18/51/207911851.db2.gz WTVYWRHDJQOXMG-UHFFFAOYSA-N 0 3 374.575 4.010 50 0 FIAAHN C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032865785 208051058 /nfs/dbraw/zinc/05/10/58/208051058.db2.gz AQAUEDMYXMDINT-QGZVFWFLSA-N 0 3 369.484 4.193 50 0 FIAAHN CC(=O)c1ccc(NC(=O)CCN(C)Cc2ccc(C(C)C)cc2)cc1 ZINC000030958928 208007271 /nfs/dbraw/zinc/00/72/71/208007271.db2.gz CKFRUTFTHNAJGW-UHFFFAOYSA-N 0 3 352.478 4.473 50 0 FIAAHN Cn1ncc2c1CCC[C@H]2NCc1ccc(OCc2ccccc2F)cc1 ZINC000030908859 208009037 /nfs/dbraw/zinc/00/90/37/208009037.db2.gz YJGKOHOZCLNSCC-OAQYLSRUSA-N 0 3 365.452 4.305 50 0 FIAAHN Cc1cc([C@@H](C)NC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)s1 ZINC000031662754 208016358 /nfs/dbraw/zinc/01/63/58/208016358.db2.gz 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/nfs/dbraw/zinc/28/96/54/571289654.db2.gz BLOAWBJDLRBEDT-ZWKOTPCHSA-N 0 3 361.869 4.228 50 0 FIAAHN COc1ccc(CN2CC[C@]3(C2)CCCN(Cc2ccccc2F)C3)cc1 ZINC000055099732 571319885 /nfs/dbraw/zinc/31/98/85/571319885.db2.gz TYWABVNURZWTPH-HSZRJFAPSA-N 0 3 368.496 4.322 50 0 FIAAHN O=C1CC(N(O)c2ccc(Cl)cc2)C(=O)N1c1cccc2ccccc21 ZINC000002401690 571321432 /nfs/dbraw/zinc/32/14/32/571321432.db2.gz MRLLJUFTHQSWEC-GOSISDBHSA-N 0 3 366.804 4.021 50 0 FIAAHN COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)cc1 ZINC000012659707 571322605 /nfs/dbraw/zinc/32/26/05/571322605.db2.gz TYAVZDOMPJDABU-OTGHWYDRSA-N 0 3 369.505 4.099 50 0 biogenic FIAAHN CSc1cccc(NC(=S)N(CCN(C)C)[C@H](C)c2cccnc2)c1 ZINC000002934104 571341944 /nfs/dbraw/zinc/34/19/44/571341944.db2.gz BPJXWMRCGMFPHQ-OAHLLOKOSA-N 0 3 374.579 4.125 50 0 FIAAHN Cc1cc(C)cc(NC(=S)N(CCN(C)C)[C@@H](C)c2ccccn2)c1 ZINC000003025916 571343606 /nfs/dbraw/zinc/34/36/06/571343606.db2.gz QMABOEAXTGCWFO-KRWDZBQOSA-N 0 3 356.539 4.020 50 0 FIAAHN Cc1ccc(C)c(NC(=S)N(CCN(C)C)[C@H](C)c2ccncc2)c1 ZINC000003049856 571344140 /nfs/dbraw/zinc/34/41/40/571344140.db2.gz IUVZETYVQGPSHU-QGZVFWFLSA-N 0 3 356.539 4.020 50 0 FIAAHN Cc1cc(C)c(NC(=S)N(CCN(C)C)[C@H](C)c2ccncc2)c(C)c1 ZINC000003050918 571344245 /nfs/dbraw/zinc/34/42/45/571344245.db2.gz OKKLUVSYHIZVPD-GOSISDBHSA-N 0 3 370.566 4.328 50 0 FIAAHN CCOC(=O)Nc1ccc2c(CN3C[C@@H]4CCCCC[C@H]43)cc(=O)oc2c1 ZINC000230173308 571344615 /nfs/dbraw/zinc/34/46/15/571344615.db2.gz UNEQKNUDZGYHBA-KBXCAEBGSA-N 0 3 370.449 4.126 50 0 FIAAHN Cc1cc(NC(=S)N(CCN(C)C)Cc2cccs2)ccc1Cl ZINC000003662392 571352131 /nfs/dbraw/zinc/35/21/31/571352131.db2.gz FLNVFMQZDAMJEL-UHFFFAOYSA-N 0 3 367.971 4.471 50 0 FIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(-n2cccc2)cc1 ZINC000032217645 571356635 /nfs/dbraw/zinc/35/66/35/571356635.db2.gz ZXRBBTAIUFEWHU-JOCHJYFZSA-N 0 3 359.473 4.044 50 0 FIAAHN CN1CCN(CCCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000020118583 1089632357 /nfs/dbraw/zinc/63/23/57/1089632357.db2.gz YMBUVZSWIHAFTL-UHFFFAOYSA-N 0 3 352.522 4.029 50 0 FIAAHN COc1ccc(C[C@@H]2CCOC3(CCN(Cc4cccn4C)CC3)C2)cc1 ZINC000169791430 1115684526 /nfs/dbraw/zinc/68/45/26/1115684526.db2.gz NRBCJQGJMLRQKF-FQEVSTJZSA-N 0 3 368.521 4.038 50 0 FIAAHN CCSc1ncc(CN2CCCC[C@H]2CCc2ccc(O)cc2)cn1 ZINC000216201407 209649669 /nfs/dbraw/zinc/64/96/69/209649669.db2.gz QLCGCKSAAYSRNQ-SFHVURJKSA-N 0 3 357.523 4.282 50 0 FIAAHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1 ZINC000048280105 209330964 /nfs/dbraw/zinc/33/09/64/209330964.db2.gz NOAVQULJLIGBIH-IBGZPJMESA-N 0 3 372.900 4.253 50 0 FIAAHN Cc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000097032885 209168892 /nfs/dbraw/zinc/16/88/92/209168892.db2.gz VDUOZGHJLQVMEM-INIZCTEOSA-N 0 3 362.267 4.467 50 0 FIAAHN C[C@H](NC1(CNCc2ccc([C@H]3C[C@H]3C)o2)CCOCC1)c1ccccc1 ZINC000097002561 209166794 /nfs/dbraw/zinc/16/67/94/209166794.db2.gz ZXJCGYDYWHXRHF-LQWHRVPQSA-N 0 3 368.521 4.393 50 0 FIAAHN CCOc1c(Br)cc(CNCc2cccs2)cc1OC ZINC000004670837 207037474 /nfs/dbraw/zinc/03/74/74/207037474.db2.gz RIUFBQZSDOBLBV-UHFFFAOYSA-N 0 3 356.285 4.208 50 0 FIAAHN COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OC ZINC000004868909 207057805 /nfs/dbraw/zinc/05/78/05/207057805.db2.gz UGXBWWNLQIQOMC-UHFFFAOYSA-N 0 3 350.256 4.065 50 0 FIAAHN C[C@H](CN1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000004899236 207059441 /nfs/dbraw/zinc/05/94/41/207059441.db2.gz JNEYXKOAZVGKBG-LJQANCHMSA-N 0 3 351.490 4.410 50 0 FIAAHN Cc1cccc2c1-c1sc(C(=O)NCCN3CCCCCC3)cc1CO2 ZINC000005049958 207075875 /nfs/dbraw/zinc/07/58/75/207075875.db2.gz ZVIUMRZSBBEEGH-UHFFFAOYSA-N 0 3 370.518 4.222 50 0 FIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc2c(s1)CCCC2 ZINC000005525427 207103971 /nfs/dbraw/zinc/10/39/71/207103971.db2.gz BHGQQHLLQVUZDL-MJGOQNOKSA-N 0 3 366.530 4.383 50 0 FIAAHN COc1cc(CNCc2ccccc2)ccc1OC[C@@H](O)c1ccccc1 ZINC000006650901 207151844 /nfs/dbraw/zinc/15/18/44/207151844.db2.gz VBEJDLNCOXHEHT-OAQYLSRUSA-N 0 3 363.457 4.097 50 0 FIAAHN CCN1CCC(N(Cc2ccco2)C(=O)Nc2cccc(C)c2C)CC1 ZINC000006877589 207174369 /nfs/dbraw/zinc/17/43/69/207174369.db2.gz MOYWGDIMDWHVHS-UHFFFAOYSA-N 0 3 355.482 4.415 50 0 FIAAHN COc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C ZINC000008003753 207215850 /nfs/dbraw/zinc/21/58/50/207215850.db2.gz XPZOGBSQVHPWHY-LJQANCHMSA-N 0 3 364.848 4.413 50 0 FIAAHN COc1ccc(C)cc1CN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000009918837 207289864 /nfs/dbraw/zinc/28/98/64/207289864.db2.gz BMFGTCISGJEIJV-UHFFFAOYSA-N 0 3 366.505 4.262 50 0 FIAAHN CC(C)c1nc(C(=O)N(C)[C@@H]2CCCN(CCc3ccccc3)C2)cs1 ZINC000011769362 207321922 /nfs/dbraw/zinc/32/19/22/207321922.db2.gz YMTLZQXYMQGVCX-GOSISDBHSA-N 0 3 371.550 4.046 50 0 FIAAHN CC(C)c1nc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cs1 ZINC000011769369 207322334 /nfs/dbraw/zinc/32/23/34/207322334.db2.gz YMTLZQXYMQGVCX-SFHVURJKSA-N 0 3 371.550 4.046 50 0 FIAAHN O=C(NCc1ccc(OC(F)F)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000011515373 207313703 /nfs/dbraw/zinc/31/37/03/207313703.db2.gz KMZBYDUOZCOCSL-UHFFFAOYSA-N 0 3 374.431 4.204 50 0 FIAAHN COc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCCCCC2)cc1 ZINC000011915579 207329930 /nfs/dbraw/zinc/32/99/30/207329930.db2.gz LNEWDIHYJHALCO-NRFANRHFSA-N 0 3 370.468 4.181 50 0 biogenic FIAAHN CN(C(=O)c1ccc(Cl)c(F)c1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012072489 207335521 /nfs/dbraw/zinc/33/55/21/207335521.db2.gz SKTJGKVAJPUKQB-GOSISDBHSA-N 0 3 374.887 4.258 50 0 FIAAHN COc1ccc(CN2CCC(CO)(CCOc3ccccc3)CC2)cc1C ZINC000012298462 207356744 /nfs/dbraw/zinc/35/67/44/207356744.db2.gz KBDLPLZVGYYSBR-UHFFFAOYSA-N 0 3 369.505 4.047 50 0 FIAAHN O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000012436320 207377151 /nfs/dbraw/zinc/37/71/51/207377151.db2.gz DHTJEFXPUKPRNW-LJQANCHMSA-N 0 3 361.445 4.192 50 0 FIAAHN Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3)o1 ZINC000012438484 207377316 /nfs/dbraw/zinc/37/73/16/207377316.db2.gz RBXOCHJFWIIRCE-QHCPKHFHSA-N 0 3 366.505 4.333 50 0 FIAAHN Cn1cc(CN2CCC[C@H](O)C2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012576742 207395542 /nfs/dbraw/zinc/39/55/42/207395542.db2.gz PMQKYRIYYABJCW-NRFANRHFSA-N 0 3 353.510 4.092 50 0 FIAAHN CN(C)Cc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000014199592 207510633 /nfs/dbraw/zinc/51/06/33/207510633.db2.gz CVXXQJVURNPOJK-UHFFFAOYSA-N 0 3 358.485 4.274 50 0 FIAAHN Cn1ncc2c1CCC[C@@H]2NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000030908856 208008426 /nfs/dbraw/zinc/00/84/26/208008426.db2.gz YDAIRDCLMAMNNQ-NRFANRHFSA-N 0 3 365.452 4.305 50 0 FIAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 ZINC000032622645 208033813 /nfs/dbraw/zinc/03/38/13/208033813.db2.gz KACMJHUOLITEFX-QGZVFWFLSA-N 0 3 369.490 4.216 50 0 FIAAHN Cc1ccc2[nH]c(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2c1 ZINC000032762796 208040498 /nfs/dbraw/zinc/04/04/98/208040498.db2.gz SQDUCOXAOMYZQA-GOSISDBHSA-N 0 3 353.491 4.105 50 0 FIAAHN CCOc1ccc2oc(C(=O)N[C@H](CN(C)C)c3ccccc3)c(C)c2c1 ZINC000032781256 208042406 /nfs/dbraw/zinc/04/24/06/208042406.db2.gz NVBJTASWRPVTJU-LJQANCHMSA-N 0 3 366.461 4.173 50 0 FIAAHN CN1CCC(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)CC1 ZINC000036611119 208166666 /nfs/dbraw/zinc/16/66/66/208166666.db2.gz WDXOAIWVSRFNEP-UHFFFAOYSA-N 0 3 374.484 4.243 50 0 FIAAHN O=C(NCCN1CCCCC1)c1cncc(-c2csc3ccccc23)c1 ZINC000036349354 208154623 /nfs/dbraw/zinc/15/46/23/208154623.db2.gz NVAUEQGCEMVOGV-UHFFFAOYSA-N 0 3 365.502 4.179 50 0 FIAAHN c1ccc(COc2cc(OCc3ccccc3)cc([C@H]3CNCCN3)c2)cc1 ZINC000039934045 208213832 /nfs/dbraw/zinc/21/38/32/208213832.db2.gz PTOZVTYHZYBFAI-XMMPIXPASA-N 0 3 374.484 4.079 50 0 FIAAHN CC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2cccc(C)c2)CC1 ZINC000040414769 208253390 /nfs/dbraw/zinc/25/33/90/208253390.db2.gz XBSLAUITEYNHOE-UHFFFAOYSA-N 0 3 354.469 4.460 50 0 FIAAHN Cc1nn(-c2ccccc2)c2c1C(C(=O)c1cccc(Cl)c1)CC(=O)N2 ZINC000046057467 208356609 /nfs/dbraw/zinc/35/66/09/208356609.db2.gz CLGJYBRRRHYKEJ-INIZCTEOSA-N 0 3 365.820 4.143 50 0 FIAAHN Cc1nc(C(C)C)sc1C(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000091915452 209006404 /nfs/dbraw/zinc/00/64/04/209006404.db2.gz UHYXSEXMUNCJEN-GOSISDBHSA-N 0 3 371.550 4.169 50 0 FIAAHN CC(C)N(Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1)C[C@@H]1CCCCO1 ZINC000095986094 209093300 /nfs/dbraw/zinc/09/33/00/209093300.db2.gz UQVOMRMVIYDFTC-BHDDXSALSA-N 0 3 370.537 4.451 50 0 FIAAHN CSc1cccc(CN2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c1 ZINC000095352827 209023450 /nfs/dbraw/zinc/02/34/50/209023450.db2.gz HXOJZPNSHRIMSR-HXUWFJFHSA-N 0 3 366.530 4.047 50 0 FIAAHN Cc1cccnc1CNC1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095360370 209027385 /nfs/dbraw/zinc/02/73/85/209027385.db2.gz GNFHKPDDMUPGSC-UHFFFAOYSA-N 0 3 372.925 4.412 50 0 FIAAHN CC(=O)c1cc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)cs1 ZINC000095390909 209048097 /nfs/dbraw/zinc/04/80/97/209048097.db2.gz RJJHGEWRZCHYSB-AZUAARDMSA-N 0 3 354.519 4.047 50 0 FIAAHN COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](Cc1ccccc1)C1CC1 ZINC000095466639 209056039 /nfs/dbraw/zinc/05/60/39/209056039.db2.gz NBOWIQICNHVCPE-SFHVURJKSA-N 0 3 372.896 4.206 50 0 FIAAHN C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccc2ccccc21 ZINC000057286285 221086446 /nfs/dbraw/zinc/08/64/46/221086446.db2.gz LXZKBVFFPHEXOC-INIZCTEOSA-N 0 3 362.477 4.441 50 0 FIAAHN c1cn(Cc2ccncc2)c([C@H]2CCCN(c3ccnc4ccccc43)C2)n1 ZINC000091906415 132204612 /nfs/dbraw/zinc/20/46/12/132204612.db2.gz AXIVXLFABCTZKX-IBGZPJMESA-N 0 3 369.472 4.259 50 0 FIAAHN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccncc3)C2=O)cc1C ZINC000006826581 132258772 /nfs/dbraw/zinc/25/87/72/132258772.db2.gz OPHJAMWKYMSGEX-KGENOOAVSA-N 0 3 369.424 4.338 50 0 FIAAHN CC(=O)[C@H]1Sc2ccccc2N(CCCN(C)C)[C@@H]1c1ccccc1 ZINC000002006351 132382515 /nfs/dbraw/zinc/38/25/15/132382515.db2.gz KJKUTCSZMKBGKI-NHCUHLMSSA-N 0 3 354.519 4.249 50 0 FIAAHN COc1ccc(CC[C@@H](C)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000004981201 132825781 /nfs/dbraw/zinc/82/57/81/132825781.db2.gz IKURHECQADGVGT-LJQANCHMSA-N 0 3 352.522 4.455 50 0 FIAAHN COc1cc(CN2CCC(c3nccn3CC3CCC3)CC2)cc(OC)c1 ZINC000091650277 522368372 /nfs/dbraw/zinc/36/83/72/522368372.db2.gz HQZZBEQSUJXYIO-UHFFFAOYSA-N 0 3 369.509 4.080 50 0 FIAAHN C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(-c2nc3c(c(=O)[n-]2)CCC3)cc1 ZINC000019840955 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ZINC000230164044 571344528 /nfs/dbraw/zinc/34/45/28/571344528.db2.gz PQRBDYZZRFRTDK-KJJMTIBFSA-N 0 3 355.478 4.113 50 0 FIAAHN C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)N1CCCC1 ZINC000003206340 571345516 /nfs/dbraw/zinc/34/55/16/571345516.db2.gz XIAOEYNSXORRSX-DYVFJYSZSA-N 0 3 363.527 4.399 50 0 FIAAHN CCCNC(=O)c1cccc(CN[C@@H]2CCCc3c(OC)cccc32)c1 ZINC000194854309 1083675849 /nfs/dbraw/zinc/67/58/49/1083675849.db2.gz BZFHXCCPGGMUPJ-HXUWFJFHSA-N 0 3 352.478 4.002 50 0 FIAAHN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1CCN1CCCCC1 ZINC000005046912 1092316147 /nfs/dbraw/zinc/31/61/47/1092316147.db2.gz JGMSCKSMQOWJBK-MRXNPFEDSA-N 0 3 359.322 4.053 50 0 FIAAHN COc1ccc([C@H](O)c2c(CN3CCCCC3)c3ccccc3n2C)cc1 ZINC000000633503 210255277 /nfs/dbraw/zinc/25/52/77/210255277.db2.gz JUKLUPWONNDHHO-QHCPKHFHSA-N 0 3 364.489 4.255 50 0 FIAAHN COc1ccc2c(CN3CCC(Cc4ccccc4)CC3)cc(=O)oc2c1 ZINC000001270767 210225566 /nfs/dbraw/zinc/22/55/66/210225566.db2.gz HHMVMCYVZLGGPX-UHFFFAOYSA-N 0 3 363.457 4.256 50 0 biogenic FIAAHN O=C([N-]c1cccnc1SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000253412022 210215761 /nfs/dbraw/zinc/21/57/61/210215761.db2.gz PQVKSRSLFUSRQV-DOTOQJQBSA-N 0 3 371.506 4.284 50 0 biogenic FIAAHN O=C([N-]c1cccnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccco1 ZINC000253412022 210215765 /nfs/dbraw/zinc/21/57/65/210215765.db2.gz PQVKSRSLFUSRQV-DOTOQJQBSA-N 0 3 371.506 4.284 50 0 biogenic FIAAHN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccccc2C(C)C)cc1 ZINC000060802557 210209026 /nfs/dbraw/zinc/20/90/26/210209026.db2.gz ACFMQNZEFSOBOS-UGKGYDQZSA-N 0 3 369.505 4.395 50 0 FIAAHN C[C@H](CC(=O)NC[C@@H](C)N1CCC(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000060156262 212019299 /nfs/dbraw/zinc/01/92/99/212019299.db2.gz VMEDIUXAECSOTF-HZPDHXFCSA-N 0 3 370.459 4.436 50 0 FIAAHN Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc2n1 ZINC000023738884 211395356 /nfs/dbraw/zinc/39/53/56/211395356.db2.gz HBGYSUPVTIPIMN-QFIPXVFZSA-N 0 3 359.473 4.110 50 0 FIAAHN OC(CNCc1ccccn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365355 211276986 /nfs/dbraw/zinc/27/69/86/211276986.db2.gz VZDSKXHEDHBMKW-UHFFFAOYSA-N 0 3 373.283 4.414 50 0 FIAAHN CC1(C)C[C@H](CN2CCc3[nH]nc(C=Cc4ccccc4)c3C2)CCO1 ZINC000019145479 211203930 /nfs/dbraw/zinc/20/39/30/211203930.db2.gz WZYBOSYWJRBNMO-GFOMBABLSA-N 0 3 351.494 4.143 50 0 FIAAHN Fc1ccccc1COc1cccc(CNCc2ccc3c(c2)OCO3)c1 ZINC000016450080 211161782 /nfs/dbraw/zinc/16/17/82/211161782.db2.gz MYLJKJOZWRIVPG-UHFFFAOYSA-N 0 3 365.404 4.423 50 0 FIAAHN Cc1c([O-])ccc2c(C[NH2+][C@H](c3ccc(F)cc3)C(C)C)cc(=O)oc12 ZINC000015550541 211129933 /nfs/dbraw/zinc/12/99/33/211129933.db2.gz XGOKNTIKVIXIRQ-FQEVSTJZSA-N 0 3 355.409 4.433 50 0 FIAAHN O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCCN(CCCn2cccn2)C1 ZINC000015070015 211119057 /nfs/dbraw/zinc/11/90/57/211119057.db2.gz PEBCUVKBPWPOAH-HXUWFJFHSA-N 0 3 373.500 4.120 50 0 FIAAHN CC(=O)c1cc(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)cs1 ZINC000014974521 211108810 /nfs/dbraw/zinc/10/88/10/211108810.db2.gz KNVUXCKIDAMHJV-UHFFFAOYSA-N 0 3 360.523 4.196 50 0 FIAAHN CSc1cccc(CN2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000014972638 211108620 /nfs/dbraw/zinc/10/86/20/211108620.db2.gz QEDSCXSEMFPIEJ-NRFANRHFSA-N 0 3 359.510 4.365 50 0 FIAAHN C/C=C(\C)CN1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014884718 211104389 /nfs/dbraw/zinc/10/43/89/211104389.db2.gz BZXQELPIKNLFSU-MRBNIYHESA-N 0 3 356.539 4.253 50 0 FIAAHN O[C@H](COc1ccc2ccccc2c1)CN1CCC[C@@H]1c1cccs1 ZINC000014238428 211087459 /nfs/dbraw/zinc/08/74/59/211087459.db2.gz RDKZWLSCMXBVOZ-AZUAARDMSA-N 0 3 353.487 4.478 50 0 FIAAHN Cc1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)o1 ZINC000013593848 211042861 /nfs/dbraw/zinc/04/28/61/211042861.db2.gz SSYMFENHGNAGRW-MDKPJZGXSA-N 0 3 370.880 4.179 50 0 FIAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)CC1=CCCCC1 ZINC000012595296 210974891 /nfs/dbraw/zinc/97/48/91/210974891.db2.gz DLRXCPZKKIXNJO-UHFFFAOYSA-N 0 3 372.528 4.429 50 0 FIAAHN CCN(CC)CCn1c2c(c(=S)nc1-c1ccccc1)COC(C)(C)C2 ZINC000002256060 210386099 /nfs/dbraw/zinc/38/60/99/210386099.db2.gz NTMAYZVLKLVWIG-UHFFFAOYSA-N 0 3 371.550 4.473 50 0 FIAAHN O=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1c1nccs1 ZINC000002247355 210386186 /nfs/dbraw/zinc/38/61/86/210386186.db2.gz RMNLLMQERNYAJE-CQSZACIVSA-N 0 3 366.423 4.061 50 0 FIAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)cc3)=NN12 ZINC000010213796 210342980 /nfs/dbraw/zinc/34/29/80/210342980.db2.gz BMOMVFKJPUJULF-NRFANRHFSA-N 0 3 361.489 4.351 50 0 FIAAHN COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN(C)C)cc1 ZINC000000985418 210298305 /nfs/dbraw/zinc/29/83/05/210298305.db2.gz POVGDMXEDGPTGA-DQRAZIAOSA-N 0 3 367.518 4.409 50 0 FIAAHN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)o1 ZINC000000934773 210291707 /nfs/dbraw/zinc/29/17/07/210291707.db2.gz PVQUUIHYNIBRRC-KRWDZBQOSA-N 0 3 371.868 4.207 50 0 FIAAHN CCCn1c2ncccc2nc1[C@H]1CCN(Cc2ccccc2OCC)C1 ZINC000065285358 221194323 /nfs/dbraw/zinc/19/43/23/221194323.db2.gz VLVBZWXEDXPVQP-SFHVURJKSA-N 0 3 364.493 4.230 50 0 FIAAHN COc1cc([C@@H](C)NCc2cc(C)c(OC)c(C)c2)cc(OC)c1OC ZINC000067188670 221249005 /nfs/dbraw/zinc/24/90/05/221249005.db2.gz PTTPQIOQQKIAGI-OAHLLOKOSA-N 0 3 359.466 4.189 50 0 FIAAHN Fc1ccc(N2CC[C@@H](CNCc3csc(-c4ccco4)n3)C2)cc1 ZINC000067975844 221312000 /nfs/dbraw/zinc/31/20/00/221312000.db2.gz AMTMSHNNMBTJAB-AWEZNQCLSA-N 0 3 357.454 4.158 50 0 FIAAHN CC[C@H](Nc1nc(-c2ccccc2)nc2c1CCNC2)c1cc(C)ccn1 ZINC000067955419 221309611 /nfs/dbraw/zinc/30/96/11/221309611.db2.gz CXVIBOXSDHRZAQ-SFHVURJKSA-N 0 3 359.477 4.056 50 0 FIAAHN Cc1c(Cl)c(CN2CCC[C@H](c3ccnn3C)C2)nc2ccccc12 ZINC000071808720 221378584 /nfs/dbraw/zinc/37/85/84/221378584.db2.gz FNHVYVMBVJKBOF-HNNXBMFYSA-N 0 3 354.885 4.310 50 0 FIAAHN Cc1nc([C@@H](C)NC2CCN(c3nc(C)nc4sccc43)CC2)cs1 ZINC000095523877 132214366 /nfs/dbraw/zinc/21/43/66/132214366.db2.gz QSZQIYDWWMILHF-LLVKDONJSA-N 0 3 373.551 4.084 50 0 FIAAHN Cc1ccccc1-c1cccc(N2CCC(NCc3cnn(C)c3)CC2)c1 ZINC000023478173 136152918 /nfs/dbraw/zinc/15/29/18/136152918.db2.gz VOZBHFBCWFQOBS-UHFFFAOYSA-N 0 3 360.505 4.154 50 0 FIAAHN C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@@H](C)c1ccc(Br)o1 ZINC000097105340 222159537 /nfs/dbraw/zinc/15/95/37/222159537.db2.gz WQHDLIQVBITBPF-UHIISALHSA-N 0 3 356.235 4.344 50 0 FIAAHN CCc1nc(C)c(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)s1 ZINC000097805542 222214017 /nfs/dbraw/zinc/21/40/17/222214017.db2.gz VBQLLLSKJFBQRZ-GOSISDBHSA-N 0 3 371.550 4.361 50 0 FIAAHN CC(C)c1nnc(CN2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 ZINC000107028261 222389338 /nfs/dbraw/zinc/38/93/38/222389338.db2.gz LXXHALZVKPMFSK-LJQANCHMSA-N 0 3 374.504 4.065 50 0 FIAAHN CC(=O)c1cccc(CN2CCC[C@@H](N(C)CCc3ccccc3)C2)c1 ZINC000020272456 518421075 /nfs/dbraw/zinc/42/10/75/518421075.db2.gz NNPMJPQFZXZWDA-HSZRJFAPSA-N 0 3 350.506 4.028 50 0 FIAAHN CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000020481735 520686841 /nfs/dbraw/zinc/68/68/41/520686841.db2.gz HLQFMKXVPCAVOZ-UHFFFAOYSA-N 0 3 364.892 4.490 50 0 FIAAHN CCc1cccc(OCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000020482090 521776629 /nfs/dbraw/zinc/77/66/29/521776629.db2.gz PLWKNUPGBHNJER-UHFFFAOYSA-N 0 3 352.522 4.226 50 0 FIAAHN COCC[C@@H]1CCCCN1Cc1nc(-c2cccc(F)c2F)oc1C ZINC000020857553 521874989 /nfs/dbraw/zinc/87/49/89/521874989.db2.gz CDFPYAHMUCLQNI-AWEZNQCLSA-N 0 3 350.409 4.319 50 0 FIAAHN Cc1ccc(NC(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000020889747 525155192 /nfs/dbraw/zinc/15/51/92/525155192.db2.gz YKOYLODWZQOISC-UHFFFAOYSA-N 0 3 355.457 4.168 50 0 FIAAHN O=C(COc1ccc2ccccc2c1)Nc1cccc(CN2CCCC2)c1 ZINC000089878775 526973760 /nfs/dbraw/zinc/97/37/60/526973760.db2.gz FYMKXCIZWRXIPY-UHFFFAOYSA-N 0 3 360.457 4.453 50 0 FIAAHN c1cc([C@H]2CCCO2)sc1CN1CCC(c2nnc3ccccn32)CC1 ZINC000216416697 568122540 /nfs/dbraw/zinc/12/25/40/568122540.db2.gz LGLLOUPYMZRNOW-QGZVFWFLSA-N 0 3 368.506 4.022 50 0 FIAAHN CC[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CCN1 ZINC000426411140 570449979 /nfs/dbraw/zinc/44/99/79/570449979.db2.gz BLUYLDDFSBIGCR-MRXNPFEDSA-N 0 3 363.288 4.484 50 0 FIAAHN CN1CCCCC[C@@H]1C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000095376968 570457990 /nfs/dbraw/zinc/45/79/90/570457990.db2.gz JUFGEWHXUYEDPB-JOCHJYFZSA-N 0 3 350.506 4.199 50 0 FIAAHN CSc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cc1 ZINC000095379127 570458277 /nfs/dbraw/zinc/45/82/77/570458277.db2.gz FDMVXUHDNGLIEM-AZUAARDMSA-N 0 3 366.530 4.145 50 0 FIAAHN Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)ccc1Cl ZINC000095380898 570458949 /nfs/dbraw/zinc/45/89/49/570458949.db2.gz CPPSJIYPOQRPFX-AZUAARDMSA-N 0 3 368.908 4.385 50 0 FIAAHN c1sc(CN2C[C@H]3CC[C@H](CN3CC3CC3)C2)nc1-c1ccccc1 ZINC000095513289 570466075 /nfs/dbraw/zinc/46/60/75/570466075.db2.gz RLDICRNVJARRDN-PKOBYXMFSA-N 0 3 353.535 4.116 50 0 FIAAHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000095524072 570468266 /nfs/dbraw/zinc/46/82/66/570468266.db2.gz ZCELIHYZZUJHEL-MRXNPFEDSA-N 0 3 359.857 4.300 50 0 FIAAHN CCCc1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000044080232 570483435 /nfs/dbraw/zinc/48/34/35/570483435.db2.gz BAEHHOIGNWFPHG-UHFFFAOYSA-N 0 3 351.494 4.425 50 0 FIAAHN O=C1C[C@H](NCCC2=CCCCC2)C(=O)N1c1cccc(Cl)c1Cl ZINC000002882835 570542727 /nfs/dbraw/zinc/54/27/27/570542727.db2.gz OVVBIWZXLCTBPC-AWEZNQCLSA-N 0 3 367.276 4.105 50 0 FIAAHN CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)cc2)CN(Cc2ccccc2Cl)C1 ZINC000034716600 570544717 /nfs/dbraw/zinc/54/47/17/570544717.db2.gz VRKMRYOIDJUCIQ-QZTJIDSGSA-N 0 3 374.887 4.221 50 0 FIAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004863074 570552682 /nfs/dbraw/zinc/55/26/82/570552682.db2.gz WHYKFLXIHKKUGJ-IBGZPJMESA-N 0 3 367.880 4.305 50 0 FIAAHN Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)c(C(C)(C)C)c1 ZINC000004986485 570571834 /nfs/dbraw/zinc/57/18/34/570571834.db2.gz JNWIOECBPTUQEP-FQEVSTJZSA-N 0 3 353.506 4.091 50 0 FIAAHN CCc1ccc(N(C(C)=O)C2CCN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000037587666 570592578 /nfs/dbraw/zinc/59/25/78/570592578.db2.gz SGJWGTNDYWOQMB-UHFFFAOYSA-N 0 3 366.505 4.275 50 0 FIAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1Br ZINC000004664876 570599473 /nfs/dbraw/zinc/59/94/73/570599473.db2.gz YWVKMVVLVWWFKH-AWEZNQCLSA-N 0 3 362.267 4.126 50 0 FIAAHN CCOc1cc(CNCc2cccs2)cc(Br)c1OC ZINC000004670838 570600112 /nfs/dbraw/zinc/60/01/12/570600112.db2.gz VGSFOISURXGMJA-UHFFFAOYSA-N 0 3 356.285 4.208 50 0 FIAAHN COc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCCCCC2)cc1 ZINC000011915574 570601584 /nfs/dbraw/zinc/60/15/84/570601584.db2.gz DFBWOCVBVVAHGW-NRFANRHFSA-N 0 3 370.468 4.181 50 0 biogenic FIAAHN COc1cccc(CNC[C@H]2CCCO2)c1OCc1ccc(Cl)cc1 ZINC000004998044 570617135 /nfs/dbraw/zinc/61/71/35/570617135.db2.gz LTCNSWDHIICVBP-GOSISDBHSA-N 0 3 361.869 4.196 50 0 FIAAHN COc1cccc(-c2nc(=S)c3c(n2CCCN(C)C)CCCC3)c1 ZINC000005027885 570618827 /nfs/dbraw/zinc/61/88/27/570618827.db2.gz UWMYPCOOAMJYTR-UHFFFAOYSA-N 0 3 357.523 4.119 50 0 FIAAHN COc1ccc(Cl)cc1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006698376 570652302 /nfs/dbraw/zinc/65/23/02/570652302.db2.gz LAXOOFNDFFVKBP-UHFFFAOYSA-N 0 3 373.884 4.135 50 0 FIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)cc1Cl ZINC000007781572 570672992 /nfs/dbraw/zinc/67/29/92/570672992.db2.gz DMIOCULAKMWJGC-UHFFFAOYSA-N 0 3 364.823 4.013 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GQJNFXXFTZTBLZ-KBXCAEBGSA-N 0 3 366.288 4.400 50 0 FIAAHN Cc1ccc(F)c(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1Cl ZINC000299795174 210035934 /nfs/dbraw/zinc/03/59/34/210035934.db2.gz LNWKNAWJYMFWRM-INIZCTEOSA-N 0 3 374.887 4.315 50 0 FIAAHN Cc1ccc(F)c(C(=O)NCCN2CC[C@@H](c3ccccc3C)C2)c1Cl ZINC000299795186 210035127 /nfs/dbraw/zinc/03/51/27/210035127.db2.gz LNWKNAWJYMFWRM-MRXNPFEDSA-N 0 3 374.887 4.315 50 0 FIAAHN O=C(NCc1ccccc1C(F)(F)F)C1=CCN(Cc2ccccc2)CC1 ZINC000064817941 212045494 /nfs/dbraw/zinc/04/54/94/212045494.db2.gz PPXOEBSOYCKHJF-UHFFFAOYSA-N 0 3 374.406 4.154 50 0 FIAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cnc2ccccc2c1 ZINC000062580019 212030358 /nfs/dbraw/zinc/03/03/58/212030358.db2.gz DCRVUESDTYDUHZ-OAQYLSRUSA-N 0 3 360.461 4.193 50 0 FIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)c1ccccc1 ZINC000012715218 220021606 /nfs/dbraw/zinc/02/16/06/220021606.db2.gz MPNIJWTUFIEKDN-FQEVSTJZSA-N 0 3 368.496 4.243 50 0 FIAAHN C[C@@H]1CCN(C(=O)CNC(C)(C)c2ccccc2)c2ccccc2S1 ZINC000058311065 212004759 /nfs/dbraw/zinc/00/47/59/212004759.db2.gz LLRMOHZTSHWILG-MRXNPFEDSA-N 0 3 354.519 4.429 50 0 FIAAHN C[C@@H]1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1 ZINC000017362879 220214872 /nfs/dbraw/zinc/21/48/72/220214872.db2.gz SOBCWJYTJRLCNZ-MRXNPFEDSA-N 0 3 368.546 4.267 50 0 FIAAHN COc1c(Cl)cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1Cl ZINC000021869872 211327951 /nfs/dbraw/zinc/32/79/51/211327951.db2.gz QVJFYTNJYMDNMN-MRXNPFEDSA-N 0 3 367.276 4.035 50 0 FIAAHN CCc1cc2c(ncnc2NC2CCN(Cc3ccccc3)CC2)s1 ZINC000021716290 211322608 /nfs/dbraw/zinc/32/26/08/211322608.db2.gz SYDLODZYNCJFKZ-UHFFFAOYSA-N 0 3 352.507 4.330 50 0 FIAAHN Cc1c(Cl)cccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000020889919 211299678 /nfs/dbraw/zinc/29/96/78/211299678.db2.gz MVORSGQENSTSAW-UHFFFAOYSA-N 0 3 357.885 4.218 50 0 FIAAHN CN(CCC(=O)Nc1cccc(F)c1)Cc1ccccc1C(F)(F)F ZINC000012903820 211004888 /nfs/dbraw/zinc/00/48/88/211004888.db2.gz WNXVGVVUWMBZBJ-UHFFFAOYSA-N 0 3 354.347 4.305 50 0 FIAAHN CCc1[nH]c2c(cc(F)cc2CNCc2ccc(NC(C)=O)cc2)c1C ZINC000012761422 210986760 /nfs/dbraw/zinc/98/67/60/210986760.db2.gz SIXXCCQCENMQFJ-UHFFFAOYSA-N 0 3 353.441 4.426 50 0 FIAAHN CN(C)[C@@H](CNc1nc(C(F)(F)F)nc2ccccc21)Cc1ccccc1 ZINC000008726422 210800147 /nfs/dbraw/zinc/80/01/47/210800147.db2.gz CFWXDBJCHDYMMO-OAHLLOKOSA-N 0 3 374.410 4.233 50 0 FIAAHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(Br)cc1 ZINC000008750054 210802887 /nfs/dbraw/zinc/80/28/87/210802887.db2.gz XEDDWPZLPDHQDO-CYBMUJFWSA-N 0 3 361.283 4.002 50 0 FIAAHN CCN(CC)CCN1Cc2c(C)c(C)sc2N(C(=O)c2ccccc2)C1 ZINC000019880175 220303306 /nfs/dbraw/zinc/30/33/06/220303306.db2.gz WCAPQILGKMKGRU-UHFFFAOYSA-N 0 3 371.550 4.127 50 0 FIAAHN Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)o1 ZINC000000934774 210291905 /nfs/dbraw/zinc/29/19/05/210291905.db2.gz PVQUUIHYNIBRRC-QGZVFWFLSA-N 0 3 371.868 4.207 50 0 FIAAHN CC[C@H](NCC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000057435037 221088658 /nfs/dbraw/zinc/08/86/58/221088658.db2.gz KMQYZFNZEAHMNK-KRWDZBQOSA-N 0 3 373.294 4.079 50 0 FIAAHN CC[NH+]1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(C)cc1)N2 ZINC000065298474 221197055 /nfs/dbraw/zinc/19/70/55/221197055.db2.gz DQJZECBKDVGELC-HXUWFJFHSA-N 0 3 363.505 4.036 50 0 biogenic FIAAHN CN1CCC(OCCCn2cnc(-c3ccccc3)c2-c2ccco2)CC1 ZINC000065488299 221224121 /nfs/dbraw/zinc/22/41/21/221224121.db2.gz ZZGGYCJXFPGZOI-UHFFFAOYSA-N 0 3 365.477 4.311 50 0 FIAAHN CC(C)Oc1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000067612411 221262220 /nfs/dbraw/zinc/26/22/20/221262220.db2.gz XLHLFLXSKNGBGX-UHFFFAOYSA-N 0 3 368.477 4.199 50 0 FIAAHN Cn1cc(CN2CCC[C@@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071763408 221369461 /nfs/dbraw/zinc/36/94/61/221369461.db2.gz XVFUGIGYAPVJHG-INIZCTEOSA-N 0 3 351.416 4.284 50 0 FIAAHN Cc1csc([C@H](C)NC2CCN(c3nc(C)nc4sccc43)CC2)n1 ZINC000095507278 132213036 /nfs/dbraw/zinc/21/30/36/132213036.db2.gz DOOITIVTUQQPLK-LBPRGKRZSA-N 0 3 373.551 4.084 50 0 FIAAHN COCCn1ccnc1C1CCN(c2ccnc3c(C)cc(C)cc23)CC1 ZINC000095528611 132214945 /nfs/dbraw/zinc/21/49/45/132214945.db2.gz 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/nfs/dbraw/zinc/94/07/35/221940735.db2.gz NGYDNQVXLZTFGC-OAQYLSRUSA-N 0 3 367.493 4.336 50 0 FIAAHN CCN1CCC(N(C(=O)/C=C\c2ccc(Cl)cc2Cl)C2CC2)CC1 ZINC000096133878 222040213 /nfs/dbraw/zinc/04/02/13/222040213.db2.gz JMFMEANUKYZNOJ-YWEYNIOJSA-N 0 3 367.320 4.482 50 0 FIAAHN CN(C)Cc1csc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000097413319 222181001 /nfs/dbraw/zinc/18/10/01/222181001.db2.gz QJHDNYILMGEHFC-LJQANCHMSA-N 0 3 354.523 4.413 50 0 FIAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000107491568 222394612 /nfs/dbraw/zinc/39/46/12/222394612.db2.gz NIWMPJLGBVVWCV-WCQYABFASA-N 0 3 361.338 4.075 50 0 FIAAHN CCN1CCN(CCCCOc2ccc(Cc3ccccc3)cc2)CC1 ZINC000020390139 521680055 /nfs/dbraw/zinc/68/00/55/521680055.db2.gz XJJPHTPVDQCBER-UHFFFAOYSA-N 0 3 352.522 4.074 50 0 FIAAHN CCN1CCN(CCCCOc2cccc(Oc3ccccc3)c2)CC1 ZINC000020406403 521680396 /nfs/dbraw/zinc/68/03/96/521680396.db2.gz YYRQYPHQLWOTMV-UHFFFAOYSA-N 0 3 354.494 4.275 50 0 FIAAHN CN(C)Cc1cccc(NC(=O)C2(c3cccc(Br)c3)CC2)c1 ZINC000083851225 521927627 /nfs/dbraw/zinc/92/76/27/521927627.db2.gz IWGPJWMQGABNHG-UHFFFAOYSA-N 0 3 373.294 4.181 50 0 FIAAHN Cc1cccc(-c2ccc(-c3nc(-c4c(C)ncc5c4CCNC5)no3)o2)c1 ZINC000020535952 524109068 /nfs/dbraw/zinc/10/90/68/524109068.db2.gz XXJUIHKRARPRKK-UHFFFAOYSA-N 0 3 372.428 4.321 50 0 FIAAHN c1ccc([C@@H]2CCCN2Cc2ccccc2OCCN2CCCCC2)nc1 ZINC000216044310 568102382 /nfs/dbraw/zinc/10/23/82/568102382.db2.gz GPAYYTGICOSJKK-QFIPXVFZSA-N 0 3 365.521 4.283 50 0 FIAAHN c1cc([C@@H]2CCCCO2)sc1CN1CCN(C2CCSCC2)CC1 ZINC000216430733 568123195 /nfs/dbraw/zinc/12/31/95/568123195.db2.gz ZBTJAJSSEAOUTP-SFHVURJKSA-N 0 3 366.596 4.003 50 0 FIAAHN CCCCn1ccnc1[C@H]1CCCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000095355295 570452609 /nfs/dbraw/zinc/45/26/09/570452609.db2.gz IYNMVBWGMLWPQE-SFHVURJKSA-N 0 3 357.498 4.080 50 0 FIAAHN CC[C@@H]1CN(C(=O)c2cc(C)nc3c(Cl)cccc23)CCN1C(C)C ZINC000095373689 570457210 /nfs/dbraw/zinc/45/72/10/570457210.db2.gz QBSSPZVEDUQZTB-OAHLLOKOSA-N 0 3 359.901 4.141 50 0 FIAAHN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCN1CC1CC1 ZINC000095522089 570467404 /nfs/dbraw/zinc/46/74/04/570467404.db2.gz CJKIAEQHVMCTHD-IBGZPJMESA-N 0 3 361.445 4.308 50 0 FIAAHN O=C(Nc1ccc2[nH]ccc2c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000095526198 570469021 /nfs/dbraw/zinc/46/90/21/570469021.db2.gz FCPBRFAGPQDEEI-UHFFFAOYSA-N 0 3 374.488 4.223 50 0 FIAAHN O=C(NC1CC1)[C@@H]1CC[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C1 ZINC000034669646 570527151 /nfs/dbraw/zinc/52/71/51/570527151.db2.gz BYGVPQASNMCXRJ-WIYYLYMNSA-N 0 3 352.453 4.058 50 0 FIAAHN C[C@H]1CCc2c(C(=O)NCCCN(C)Cc3ccccc3)csc2C1 ZINC000005070260 570581666 /nfs/dbraw/zinc/58/16/66/570581666.db2.gz NRBLZSDHSRIEPP-INIZCTEOSA-N 0 3 356.535 4.125 50 0 FIAAHN Cc1ccc([C@H](CN2CCCC2)N(C)C(=O)OCc2ccccc2)cc1 ZINC000004290003 570583390 /nfs/dbraw/zinc/58/33/90/570583390.db2.gz HSYYVIJYVPBYQH-NRFANRHFSA-N 0 3 352.478 4.401 50 0 FIAAHN CCOc1ccccc1CN1CCC(C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000004725582 570603142 /nfs/dbraw/zinc/60/31/42/570603142.db2.gz FFHXVHHHMNLQSV-GOSISDBHSA-N 0 3 366.505 4.175 50 0 FIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000004738618 570604197 /nfs/dbraw/zinc/60/41/97/570604197.db2.gz PGONWZZYJNBDTA-UHFFFAOYSA-N 0 3 359.473 4.234 50 0 FIAAHN C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@H](C)c1ccc(Br)o1 ZINC000249103444 570621063 /nfs/dbraw/zinc/62/10/63/570621063.db2.gz WQHDLIQVBITBPF-JTNHKYCSSA-N 0 3 356.235 4.344 50 0 FIAAHN COc1ccccc1C(=O)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1 ZINC000011937410 570712423 /nfs/dbraw/zinc/71/24/23/570712423.db2.gz QJCNSYFDCCUUGH-IBGZPJMESA-N 0 3 360.457 4.338 50 0 FIAAHN OC[C@]1(Cc2ccc(F)cc2F)CCCN(CCCc2ccccc2)C1 ZINC000012058717 570716090 /nfs/dbraw/zinc/71/60/90/570716090.db2.gz AEDZXCSGSXCFBU-QFIPXVFZSA-N 0 3 359.460 4.215 50 0 FIAAHN C/C(=C\c1ccccc1)CN1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000012217234 570728020 /nfs/dbraw/zinc/72/80/20/570728020.db2.gz DEOBDHDSCCIEEE-CZIZESTLSA-N 0 3 372.516 4.025 50 0 FIAAHN Cc1ccc(-n2cc(CN3CCC[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000012298087 570732713 /nfs/dbraw/zinc/73/27/13/570732713.db2.gz UYEPWAGFYBYIBT-JOCHJYFZSA-N 0 3 361.489 4.113 50 0 FIAAHN Cc1c([C@H](C)NCc2cccc(-n3cccn3)c2)cnn1-c1ccccc1 ZINC000012299057 570733346 /nfs/dbraw/zinc/73/33/46/570733346.db2.gz MNCMULPKJGZYPP-KRWDZBQOSA-N 0 3 357.461 4.217 50 0 FIAAHN O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1ccc(F)cc1Cl ZINC000012372802 570739596 /nfs/dbraw/zinc/73/95/96/570739596.db2.gz NBMYQUXBBDQPSK-SFHVURJKSA-N 0 3 374.887 4.306 50 0 FIAAHN C[C@H](NCc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1 ZINC000012383893 570740981 /nfs/dbraw/zinc/74/09/81/570740981.db2.gz BLPJADZLWZYSIL-KRWDZBQOSA-N 0 3 371.444 4.305 50 0 FIAAHN Cc1ccsc1C(=O)N(C)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012576793 570751438 /nfs/dbraw/zinc/75/14/38/570751438.db2.gz BJVUFCBBDKQJSV-GOSISDBHSA-N 0 3 374.525 4.222 50 0 FIAAHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)c(F)c1 ZINC000012763557 570760631 /nfs/dbraw/zinc/76/06/31/570760631.db2.gz ZOUHLNGTXXCDOM-HNNXBMFYSA-N 0 3 358.432 4.442 50 0 FIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000012820866 570764678 /nfs/dbraw/zinc/76/46/78/570764678.db2.gz LICZEOMACSFGSQ-UHFFFAOYSA-N 0 3 362.395 4.100 50 0 FIAAHN c1cncc([C@H]2C[C@H]2c2nc(-c3cccc(CN4CCCCC4)c3)no2)c1 ZINC000109570098 570926075 /nfs/dbraw/zinc/92/60/75/570926075.db2.gz RFQPRAKGHXRYIB-WOJBJXKFSA-N 0 3 360.461 4.389 50 0 FIAAHN Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CCN(C2CCCCCC2)C1 ZINC000072230571 570985372 /nfs/dbraw/zinc/98/53/72/570985372.db2.gz YGVUYBVSOGRYPS-OAHLLOKOSA-N 0 3 363.571 4.276 50 0 FIAAHN Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1 ZINC000028289329 571029647 /nfs/dbraw/zinc/02/96/47/571029647.db2.gz OELLICYZFWPEPU-NRFANRHFSA-N 0 3 368.521 4.090 50 0 FIAAHN O[C@H](CNCc1ccccc1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000028296789 571031356 /nfs/dbraw/zinc/03/13/56/571031356.db2.gz GINHOOKSTSSBFI-QGZVFWFLSA-N 0 3 368.908 4.324 50 0 FIAAHN CC[C@H](NC[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000225771892 571064377 /nfs/dbraw/zinc/06/43/77/571064377.db2.gz JGVAMICNMZJWNG-YWZLYKJASA-N 0 3 358.432 4.168 50 0 FIAAHN Cc1cc(-c2csc(NC(=O)C3Oc4ccccc4O[C@H]3C)n2)c(C)o1 ZINC000084081689 571070580 /nfs/dbraw/zinc/07/05/80/571070580.db2.gz OIYXLHJODVKYNJ-YVEFUNNKSA-N 0 3 370.430 4.187 50 0 FIAAHN CN(C)CCN(Cc1ccccc1)Cc1coc2ccc(Cl)cc2c1=O ZINC000019633214 571070755 /nfs/dbraw/zinc/07/07/55/571070755.db2.gz CCHFSEYCOHBPCK-UHFFFAOYSA-N 0 3 370.880 4.010 50 0 FIAAHN COc1cc(CN2CCC3(C=Cc4ccccc43)CC2)cc(OC)c1OC ZINC000004983915 571072830 /nfs/dbraw/zinc/07/28/30/571072830.db2.gz VNELSWDTGNDESX-UHFFFAOYSA-N 0 3 365.473 4.273 50 0 FIAAHN CN(C)[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000012758050 571078197 /nfs/dbraw/zinc/07/81/97/571078197.db2.gz YKZDVPVLNJBZIH-HSZRJFAPSA-N 0 3 372.512 4.108 50 0 FIAAHN CN(C)[C@H](CNC(=O)c1ccccc1Cc1ccccc1)Cc1ccccc1 ZINC000032983497 571082492 /nfs/dbraw/zinc/08/24/92/571082492.db2.gz YPNZHDILCLVMPJ-QHCPKHFHSA-N 0 3 372.512 4.180 50 0 FIAAHN CCn1cc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c(C)n1 ZINC000042881757 571098912 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CN(C)Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccc(O)cc2)cc1 ZINC000244884419 571119519 /nfs/dbraw/zinc/11/95/19/571119519.db2.gz YMFNGVVWARZDOY-JOCHJYFZSA-N 0 3 366.505 4.140 50 0 FIAAHN Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1CN(C)C ZINC000009917372 571120716 /nfs/dbraw/zinc/12/07/16/571120716.db2.gz UFNZDOMGDXGVSU-UHFFFAOYSA-N 0 3 371.531 4.172 50 0 FIAAHN CN(C)[C@H](CNC(=O)/C=C/c1ccsc1)c1csc2ccccc21 ZINC000575622217 571173433 /nfs/dbraw/zinc/17/34/33/571173433.db2.gz XVGQBIKNINYLDI-IWAYRVGRSA-N 0 3 356.516 4.395 50 0 FIAAHN CC(C)N(C)C(=O)CN1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072169703 571177368 /nfs/dbraw/zinc/17/73/68/571177368.db2.gz YXOIGVJGPSTGKA-MRXNPFEDSA-N 0 3 370.459 4.217 50 0 FIAAHN CC(C)n1c2ccccc2nc1[C@@H]1c2nc[nH]c2CCN1Cc1ccoc1 ZINC000072408782 571191451 /nfs/dbraw/zinc/19/14/51/571191451.db2.gz UHHOBBWRDKWOPN-FQEVSTJZSA-N 0 3 361.449 4.081 50 0 FIAAHN Cn1cc(CN2CCCN(C)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000072421244 571193211 /nfs/dbraw/zinc/19/32/11/571193211.db2.gz 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/nfs/dbraw/zinc/24/39/12/571243912.db2.gz SRTRJQFVUIQPIU-UHFFFAOYSA-N 0 3 355.507 4.404 50 0 FIAAHN CC[C@H](C)N(Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169679122 571246933 /nfs/dbraw/zinc/24/69/33/571246933.db2.gz SFCCMILXRNEZJW-WMLDXEAASA-N 0 3 353.915 4.442 50 0 FIAAHN CN(CCOc1ccccc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007017309 571257336 /nfs/dbraw/zinc/25/73/36/571257336.db2.gz CLENUCGJKFXCOW-UHFFFAOYSA-N 0 3 360.457 4.450 50 0 FIAAHN CCC[C@@H](NC(C)C)C(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000170607981 571267258 /nfs/dbraw/zinc/26/72/58/571267258.db2.gz IPFHWUGWWWWWAX-LJQANCHMSA-N 0 3 374.529 4.200 50 0 FIAAHN C[C@@H](Cc1ccc(Br)cc1F)NCc1nc2ccccc2[nH]1 ZINC000170623265 571269144 /nfs/dbraw/zinc/26/91/44/571269144.db2.gz HYFHGLFWBCGZNM-NSHDSACASA-N 0 3 362.246 4.185 50 0 FIAAHN C[C@H]1C[C@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CCN1C ZINC000076021759 571273716 /nfs/dbraw/zinc/27/37/16/571273716.db2.gz UEEMZVARDQTTSH-DZGCQCFKSA-N 0 3 373.324 4.094 50 0 FIAAHN CCc1ccc([C@@H](NCC(=O)Nc2ccc(OC)cc2OC)C(C)C)cc1 ZINC000007872598 571290449 /nfs/dbraw/zinc/29/04/49/571290449.db2.gz AZPFWKVLIDVVAB-QFIPXVFZSA-N 0 3 370.493 4.192 50 0 FIAAHN COc1ccc(CN2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)cc1 ZINC000055099730 571319871 /nfs/dbraw/zinc/31/98/71/571319871.db2.gz TYWABVNURZWTPH-QHCPKHFHSA-N 0 3 368.496 4.322 50 0 FIAAHN COc1ccc(OC2CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096027186 571334102 /nfs/dbraw/zinc/33/41/02/571334102.db2.gz FKMHHEMVTVQTQB-UHFFFAOYSA-N 0 3 371.452 4.341 50 0 FIAAHN Cc1cc(C)cc(NC(=S)N(CCN(C)C)[C@@H](C)c2cccnc2)c1 ZINC000002934105 571341926 /nfs/dbraw/zinc/34/19/26/571341926.db2.gz QLARUGUATQYPPJ-KRWDZBQOSA-N 0 3 356.539 4.020 50 0 FIAAHN COc1ccc(OC)c(NC(=O)CN[C@H](C)c2cccc3ccccc32)c1 ZINC000057369663 571342873 /nfs/dbraw/zinc/34/28/73/571342873.db2.gz WHDLDMFWGDOQPP-OAHLLOKOSA-N 0 3 364.445 4.146 50 0 FIAAHN CC(C)N(Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1)C[C@H]1CCCCO1 ZINC000230215472 571344749 /nfs/dbraw/zinc/34/47/49/571344749.db2.gz 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/nfs/dbraw/zinc/71/82/49/1115718249.db2.gz WRPRENJUIKNDPY-ZDUSSCGKSA-N 0 3 357.832 4.067 50 0 FIAAHN C[C@H](C[C@H](O)c1ccc(F)cc1)N[C@H](C)c1ccc(Br)o1 ZINC000225351237 210176875 /nfs/dbraw/zinc/17/68/75/210176875.db2.gz WQHDLIQVBITBPF-GYSYKLTISA-N 0 3 356.235 4.344 50 0 FIAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC(C)C)c(OC)c1 ZINC000001322539 219394538 /nfs/dbraw/zinc/39/45/38/219394538.db2.gz VERCWWZLHSTYDY-OAQYLSRUSA-N 0 3 366.461 4.207 50 0 biogenic FIAAHN CC(C)(C)c1ccc(C(=O)[C@@H]2CCCN(CCCn3cccn3)C2)cc1 ZINC000012708639 220020036 /nfs/dbraw/zinc/02/00/36/220020036.db2.gz LLURUPSNQVCREX-LJQANCHMSA-N 0 3 353.510 4.166 50 0 FIAAHN CC(=O)c1cc(CN(C)[C@@H]2CCCN(CCc3ccccc3)C2)cs1 ZINC000023359337 211384980 /nfs/dbraw/zinc/38/49/80/211384980.db2.gz OMHGJNMRORGDSV-HXUWFJFHSA-N 0 3 356.535 4.090 50 0 FIAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000020998948 211303839 /nfs/dbraw/zinc/30/38/39/211303839.db2.gz NPDYRMFTFANLAG-WTCGPSRQSA-N 0 3 353.485 4.220 50 0 FIAAHN Brc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1 ZINC000019362947 211218859 /nfs/dbraw/zinc/21/88/59/211218859.db2.gz BCCUSXRMMFIOSF-UHFFFAOYSA-N 0 3 373.338 4.200 50 0 FIAAHN Brc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 ZINC000019359689 211217693 /nfs/dbraw/zinc/21/76/93/211217693.db2.gz GBXHMRVYCXYMNZ-UHFFFAOYSA-N 0 3 373.338 4.200 50 0 FIAAHN Cc1ccc([C@@H]([C@@H](O)C(=O)c2c[nH]c3ccccc23)N2CCCCC2)cc1 ZINC000015018017 211115708 /nfs/dbraw/zinc/11/57/08/211115708.db2.gz BDUJJSNDCGLHIS-JTHBVZDNSA-N 0 3 362.473 4.247 50 0 FIAAHN c1ccc(N[C@H]2CCCN(Cc3ccc(Oc4ncccn4)cc3)C2)cc1 ZINC000015079039 211121231 /nfs/dbraw/zinc/12/12/31/211121231.db2.gz DLYIWWYRJWTIKA-FQEVSTJZSA-N 0 3 360.461 4.345 50 0 FIAAHN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN3C3CCOCC3)c2)c1 ZINC000014957139 211107069 /nfs/dbraw/zinc/10/70/69/211107069.db2.gz AXTYKRPNWRHMLJ-QFIPXVFZSA-N 0 3 364.489 4.244 50 0 FIAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc(F)cc1F ZINC000014360989 211091360 /nfs/dbraw/zinc/09/13/60/211091360.db2.gz 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/nfs/dbraw/zinc/34/34/31/210343431.db2.gz QQAWBQVHVSZYAB-UHFFFAOYSA-N 0 3 372.468 4.302 50 0 FIAAHN CC(C)(C)c1cc(CNCCC(=O)N2CCCC2)cc(C(C)(C)C)c1O ZINC000009834653 210340355 /nfs/dbraw/zinc/34/03/55/210340355.db2.gz BAYXBYNJTVFVJB-UHFFFAOYSA-N 0 3 360.542 4.089 50 0 FIAAHN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C[NH2+]Cc2ccccc2)cc1 ZINC000001175500 210330412 /nfs/dbraw/zinc/33/04/12/210330412.db2.gz PNJPLXIHJAOJCR-UHFFFAOYSA-N 0 3 366.486 4.086 50 0 FIAAHN CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000000934754 210292809 /nfs/dbraw/zinc/29/28/09/210292809.db2.gz ATPKFVDPYUCYCX-IBGZPJMESA-N 0 3 367.880 4.305 50 0 FIAAHN COc1ccc(CNCc2cc(OC)c(OC)c(OC)c2)c2ccccc12 ZINC000000851052 210280390 /nfs/dbraw/zinc/28/03/90/210280390.db2.gz PHBUHYXWJRLCBG-UHFFFAOYSA-N 0 3 367.445 4.164 50 0 FIAAHN O[C@@H](COC[C@H]1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000000795279 210272863 /nfs/dbraw/zinc/27/28/63/210272863.db2.gz YNYFYZRFYNNBDF-BJKOFHAPSA-N 0 3 365.517 4.423 50 0 FIAAHN 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/nfs/dbraw/zinc/08/60/95/221086095.db2.gz LXZKBVFFPHEXOC-MRXNPFEDSA-N 0 3 362.477 4.441 50 0 FIAAHN O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C2CSCCSC2)C1 ZINC000055343481 221067729 /nfs/dbraw/zinc/06/77/29/221067729.db2.gz HDGUXJXBVCANMW-CQSZACIVSA-N 0 3 355.956 4.083 50 0 FIAAHN CC[C@H](C)Oc1ccc(CNCc2nc3ccc(OC)cc3[nH]2)cc1OC ZINC000055414564 221069156 /nfs/dbraw/zinc/06/91/56/221069156.db2.gz MHQKLMFNMOKFSD-AWEZNQCLSA-N 0 3 369.465 4.047 50 0 FIAAHN O=c1oc2ccccc2n1CCCN1CCC[C@H]1c1ccccc1Cl ZINC000058179752 221103634 /nfs/dbraw/zinc/10/36/34/221103634.db2.gz DVXPSEJKBORILN-KRWDZBQOSA-N 0 3 356.853 4.475 50 0 FIAAHN C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccccc1CN(C)C ZINC000058209868 221107469 /nfs/dbraw/zinc/10/74/69/221107469.db2.gz YYLXQVQQTKIISK-GOSISDBHSA-N 0 3 367.537 4.304 50 0 FIAAHN Cc1cc(C)n(-c2ccc(CNCc3ccncc3)c(C(F)(F)F)c2)n1 ZINC000058213506 221108090 /nfs/dbraw/zinc/10/80/90/221108090.db2.gz WOAOHNSEHQNEAT-UHFFFAOYSA-N 0 3 360.383 4.193 50 0 FIAAHN CN1CCC(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000061031032 221133644 /nfs/dbraw/zinc/13/36/44/221133644.db2.gz FFXRPEHJOQRUDI-UHFFFAOYSA-N 0 3 374.937 4.456 50 0 FIAAHN CSc1cccc(NC(=O)C2=CCN(Cc3cccc(C)c3)CC2)c1 ZINC000064818020 221152584 /nfs/dbraw/zinc/15/25/84/221152584.db2.gz LRFQTCHJHOVIRY-UHFFFAOYSA-N 0 3 352.503 4.488 50 0 FIAAHN CN1CCC(Oc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000065364381 221203161 /nfs/dbraw/zinc/20/31/61/221203161.db2.gz CHZRKFHAHNCNQL-UHFFFAOYSA-N 0 3 359.857 4.457 50 0 FIAAHN c1coc([C@@H](Cn2cnc(-c3ccccc3)c2-c2ncc[nH]2)N2CCCC2)c1 ZINC000067447391 221253990 /nfs/dbraw/zinc/25/39/90/221253990.db2.gz QFXRMXIVRMDKBK-GOSISDBHSA-N 0 3 373.460 4.370 50 0 FIAAHN COc1ccc(Oc2ncccc2C(F)(F)F)cc1CN1CCCC1 ZINC000067878647 221300388 /nfs/dbraw/zinc/30/03/88/221300388.db2.gz BUXNUQSKCFFANO-UHFFFAOYSA-N 0 3 352.356 4.497 50 0 FIAAHN CC(C)c1ccc(NC(=O)CC2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 ZINC000071287001 221340574 /nfs/dbraw/zinc/34/05/74/221340574.db2.gz LKOVIJAXTBHDLR-LJQANCHMSA-N 0 3 374.444 4.196 50 0 FIAAHN c1ccc(Cc2nnc(SCCN3CCCC3)n2-c2ccccc2)cc1 ZINC000071415902 221346218 /nfs/dbraw/zinc/34/62/18/221346218.db2.gz LSVRPFYYOKVMCU-UHFFFAOYSA-N 0 3 364.518 4.046 50 0 FIAAHN OCCOc1ccccc1CN1CCC[C@H](CCc2ccccc2F)C1 ZINC000071404233 221346736 /nfs/dbraw/zinc/34/67/36/221346736.db2.gz VLMCMGSQHSMUDW-GOSISDBHSA-N 0 3 357.469 4.042 50 0 FIAAHN CC(C)c1nnc(CN2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)o1 ZINC000071760317 221368354 /nfs/dbraw/zinc/36/83/54/221368354.db2.gz LXXHALZVKPMFSK-IBGZPJMESA-N 0 3 374.504 4.065 50 0 FIAAHN c1cn(Cc2ccccn2)c([C@H]2CCCN(c3ccnc4ccccc43)C2)n1 ZINC000095372606 132208840 /nfs/dbraw/zinc/20/88/40/132208840.db2.gz CJDHZANVOXAECO-SFHVURJKSA-N 0 3 369.472 4.259 50 0 FIAAHN Cc1nc([C@H](C)NC2CCN(c3nc(C)nc4sccc43)CC2)cs1 ZINC000095523876 132214253 /nfs/dbraw/zinc/21/42/53/132214253.db2.gz QSZQIYDWWMILHF-NSHDSACASA-N 0 3 373.551 4.084 50 0 FIAAHN O=C(Nc1ccc(C2CCCCC2)cc1)N1CCN(c2ccncc2)CC1 ZINC000299781998 132299654 /nfs/dbraw/zinc/29/96/54/132299654.db2.gz FHNWKUMARBBTIK-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/17/35/37/222173537.db2.gz QDKAIVIXKKOFQV-UHFFFAOYSA-N 0 3 351.494 4.118 50 0 FIAAHN CCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccc(O)cc2)CC1 ZINC000097954309 222217217 /nfs/dbraw/zinc/21/72/17/222217217.db2.gz OUMXVUQOBKMOLQ-UHFFFAOYSA-N 0 3 366.505 4.362 50 0 FIAAHN CC(C)c1ccc(N[C@@H]2CCCN(Cc3cccc(OCCO)c3)C2)cc1 ZINC000011817875 263368178 /nfs/dbraw/zinc/36/81/78/263368178.db2.gz DYGGDIZATHHTRS-JOCHJYFZSA-N 0 3 368.521 4.258 50 0 FIAAHN c1sc2ccccc2c1-c1cc2c(c(O[C@@H]3CCOC3)c1)OCCNC2 ZINC000299769382 534545205 /nfs/dbraw/zinc/54/52/05/534545205.db2.gz MUGHOCJNMCYYTO-MRXNPFEDSA-N 0 3 367.470 4.218 50 0 FIAAHN CCN1CCN(CCOc2ccc(C(C)(C)c3ccccc3)cc2)CC1 ZINC000020406234 521684029 /nfs/dbraw/zinc/68/40/29/521684029.db2.gz AHLCIIOKZHMFPB-UHFFFAOYSA-N 0 3 352.522 4.029 50 0 FIAAHN COc1cc(CN[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)ccc1F ZINC000020204255 522478190 /nfs/dbraw/zinc/47/81/90/522478190.db2.gz PAHDHFDZSGRUCC-GOSISDBHSA-N 0 3 362.876 4.242 50 0 FIAAHN Cc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000299759232 534720127 /nfs/dbraw/zinc/72/01/27/534720127.db2.gz CRZDWJOEEQJOOG-IBGZPJMESA-N 0 3 362.452 4.366 50 0 FIAAHN Cc1ccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)o1 ZINC000020598862 524450375 /nfs/dbraw/zinc/45/03/75/524450375.db2.gz WNPDYHQCAKTRDG-HXUWFJFHSA-N 0 3 373.928 4.028 50 0 FIAAHN Cc1cc(C)n2ncc(CN3CCCC[C@H]3CCc3cccc(O)c3)c2n1 ZINC000216460374 524571834 /nfs/dbraw/zinc/57/18/34/524571834.db2.gz BYKFZVOATGLZGW-FQEVSTJZSA-N 0 3 364.493 4.039 50 0 FIAAHN C[C@@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCC1 ZINC000080345738 524714563 /nfs/dbraw/zinc/71/45/63/524714563.db2.gz RXJCZBOXWNCBCK-LBPRGKRZSA-N 0 3 367.276 4.468 50 0 FIAAHN CSc1ccc(CN(C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000239425738 525986295 /nfs/dbraw/zinc/98/62/95/525986295.db2.gz VEAFCFXDONUIOT-KNQAVFIVSA-N 0 3 371.546 4.295 50 0 FIAAHN O=C(Nc1ccccc1)[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000012284441 568028283 /nfs/dbraw/zinc/02/82/83/568028283.db2.gz 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/nfs/dbraw/zinc/45/97/27/568459727.db2.gz BFCWNFSSCOZGME-UHFFFAOYSA-N 0 3 372.266 4.455 50 0 FIAAHN C=Cc1cccc(CN2C[C@H]3CC[C@@H]2CN(Cc2c(C)noc2C)C3)c1 ZINC000091951580 570443604 /nfs/dbraw/zinc/44/36/04/570443604.db2.gz SMXVMHYUFQSGIW-LEWJYISDSA-N 0 3 351.494 4.031 50 0 FIAAHN CCN1CC2(CCC1=O)CCN(Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000092046995 570445982 /nfs/dbraw/zinc/44/59/82/570445982.db2.gz BHBRAVKWYMAKKF-UHFFFAOYSA-N 0 3 370.468 4.310 50 0 FIAAHN Cc1nc2c3ccccc3oc2c(N2CCN(C3CCCCC3)CC2)n1 ZINC000016363307 570449021 /nfs/dbraw/zinc/44/90/21/570449021.db2.gz FLPCQNUJNGJMJS-UHFFFAOYSA-N 0 3 350.466 4.139 50 0 FIAAHN COc1cc(CN2CCC[C@@H](c3nccn3CC3CCC3)C2)cc(OC)c1 ZINC000095378807 570458408 /nfs/dbraw/zinc/45/84/08/570458408.db2.gz OHECHBVMPBYVGO-LJQANCHMSA-N 0 3 369.509 4.080 50 0 FIAAHN Fc1cccc(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095387909 570460061 /nfs/dbraw/zinc/46/00/61/570460061.db2.gz JMBQVJATOXBAOQ-VLCRHTCISA-N 0 3 372.434 4.166 50 0 FIAAHN Cc1cc(C)c(NC(=O)N(C)Cc2ccccc2CN2CCCC2)c(C)n1 ZINC000095498132 570462297 /nfs/dbraw/zinc/46/22/97/570462297.db2.gz IYXLSSHTMGYVGW-UHFFFAOYSA-N 0 3 366.509 4.267 50 0 FIAAHN CC(C)N1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000095523521 570467978 /nfs/dbraw/zinc/46/79/78/570467978.db2.gz UPSARKIEHDEQJV-UHFFFAOYSA-N 0 3 364.917 4.218 50 0 FIAAHN CN(C)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 ZINC000095524073 570468350 /nfs/dbraw/zinc/46/83/50/570468350.db2.gz ZCELIHYZZUJHEL-INIZCTEOSA-N 0 3 359.857 4.300 50 0 FIAAHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000001179426 570489198 /nfs/dbraw/zinc/48/91/98/570489198.db2.gz SRVLCSWSEKPPEU-UHFFFAOYSA-N 0 3 354.469 4.086 50 0 FIAAHN CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000002734035 570528858 /nfs/dbraw/zinc/52/88/58/570528858.db2.gz AKJKDGUFRYMUOV-LJQANCHMSA-N 0 3 356.897 4.211 50 0 FIAAHN CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000002734034 570529022 /nfs/dbraw/zinc/52/90/22/570529022.db2.gz AKJKDGUFRYMUOV-IBGZPJMESA-N 0 3 356.897 4.211 50 0 FIAAHN c1cc2c(ncnc2N2CCN(Cc3cccc4ccccc43)CC2)s1 ZINC000023908769 570546276 /nfs/dbraw/zinc/54/62/76/570546276.db2.gz BAKARIGMLLHMJQ-UHFFFAOYSA-N 0 3 360.486 4.167 50 0 FIAAHN COc1ccc([C@H](CNC(=O)c2ccc(C)cc2)N2CCCCCC2)cc1 ZINC000011916635 570600549 /nfs/dbraw/zinc/60/05/49/570600549.db2.gz WXHKBEGVIOSASJ-QFIPXVFZSA-N 0 3 366.505 4.351 50 0 biogenic FIAAHN CCN(CCn1cccn1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000011664304 570704606 /nfs/dbraw/zinc/70/46/06/570704606.db2.gz KOZJJKNRPPZIDN-UHFFFAOYSA-N 0 3 371.488 4.462 50 0 FIAAHN O=C(CC[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1)NC1CC1 ZINC000011770736 570706598 /nfs/dbraw/zinc/70/65/98/570706598.db2.gz NYVNFUYGGPMKFB-GOSISDBHSA-N 0 3 370.537 4.279 50 0 FIAAHN CSc1ccccc1C(=O)N(C)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012093128 570718184 /nfs/dbraw/zinc/71/81/84/570718184.db2.gz DHFYDLGTMYIMLG-IBGZPJMESA-N 0 3 368.546 4.188 50 0 FIAAHN c1[nH]nc(-c2cc3ccccc3o2)c1CN(CC1CC1)C[C@H]1CCCO1 ZINC000012301336 570733947 /nfs/dbraw/zinc/73/39/47/570733947.db2.gz MSQFXESJFBDWSX-GOSISDBHSA-N 0 3 351.450 4.214 50 0 FIAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(CC2CC2)CC1 ZINC000012459058 570747475 /nfs/dbraw/zinc/74/74/75/570747475.db2.gz PYIGYHJNFCNPIB-UHFFFAOYSA-N 0 3 369.427 4.303 50 0 FIAAHN COc1ccc(-n2cc(CNC3CC3)c(-c3ccccc3Cl)n2)cc1 ZINC000012458688 570747732 /nfs/dbraw/zinc/74/77/32/570747732.db2.gz LRETVSWVQNKVKD-UHFFFAOYSA-N 0 3 353.853 4.453 50 0 FIAAHN O[C@@H](CO[C@@H]1CCCc2ccccc21)CN(Cc1ccc(F)cc1)C1CC1 ZINC000032751122 570791498 /nfs/dbraw/zinc/79/14/98/570791498.db2.gz LJICEEKUANFLPZ-FYYLOGMGSA-N 0 3 369.480 4.245 50 0 FIAAHN O[C@H](COC[C@@H]1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000004559874 570835027 /nfs/dbraw/zinc/83/50/27/570835027.db2.gz YNYFYZRFYNNBDF-RPWUZVMVSA-N 0 3 365.517 4.423 50 0 FIAAHN COc1ccc(NC(=O)[C@@H](N[C@@H](C)C2CC2)c2ccccc2)cc1Cl ZINC000015504400 570839690 /nfs/dbraw/zinc/83/96/90/570839690.db2.gz IQGAIIHSUQCELO-DJJJIMSYSA-N 0 3 358.869 4.417 50 0 FIAAHN COc1ccc(NC(=O)[C@@H](N[C@H](C)C2CC2)c2ccccc2)cc1Cl ZINC000015504404 570839891 /nfs/dbraw/zinc/83/98/91/570839891.db2.gz IQGAIIHSUQCELO-YJYMSZOUSA-N 0 3 358.869 4.417 50 0 FIAAHN Cc1cc(NC(=O)CNC2CCCCCCC2)ccc1Br ZINC000005752727 570903084 /nfs/dbraw/zinc/90/30/84/570903084.db2.gz NFLZAKWSWDYWAE-UHFFFAOYSA-N 0 3 353.304 4.399 50 0 FIAAHN Clc1cccc(N2CCN([C@@H]3CCCN(Cc4ccccc4)C3)CC2)c1 ZINC000020234391 570914062 /nfs/dbraw/zinc/91/40/62/570914062.db2.gz LSJWVBNTGHURKK-JOCHJYFZSA-N 0 3 369.940 4.127 50 0 FIAAHN COc1ccc2cc(CNC[C@H](c3ccco3)N3CCCC3)ccc2c1 ZINC000022928630 570953239 /nfs/dbraw/zinc/95/32/39/570953239.db2.gz JVWTTZPFDHKBOF-OAQYLSRUSA-N 0 3 350.462 4.368 50 0 FIAAHN CC(=O)c1cc(CN(C)[C@H]2CCCN(CCc3ccccc3)C2)cs1 ZINC000023359339 570962249 /nfs/dbraw/zinc/96/22/49/570962249.db2.gz OMHGJNMRORGDSV-FQEVSTJZSA-N 0 3 356.535 4.090 50 0 FIAAHN Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1CN(C)C ZINC000024830413 570982942 /nfs/dbraw/zinc/98/29/42/570982942.db2.gz KWAPNNIZHODKJX-UHFFFAOYSA-N 0 3 374.912 4.185 50 0 FIAAHN COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1 ZINC000027584405 571015592 /nfs/dbraw/zinc/01/55/92/571015592.db2.gz CKFNWSSBDBXWEM-QFIPXVFZSA-N 0 3 366.505 4.351 50 0 biogenic FIAAHN CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000027604112 571016122 /nfs/dbraw/zinc/01/61/22/571016122.db2.gz PBLZWGFECBPMSZ-SFHVURJKSA-N 0 3 358.507 4.102 50 0 FIAAHN Cc1ccc([C@H](CNC(=O)COc2ccccc2C)N2CCCCC2)cc1 ZINC000027662714 571016979 /nfs/dbraw/zinc/01/69/79/571016979.db2.gz LTKKMWRGTJAVBE-NRFANRHFSA-N 0 3 366.505 4.026 50 0 FIAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027663901 571017681 /nfs/dbraw/zinc/01/76/81/571017681.db2.gz XOMXFLYTVAIWTF-IGDKPHCXSA-N 0 3 358.551 4.218 50 0 FIAAHN Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCC2)cc1 ZINC000027794333 571021754 /nfs/dbraw/zinc/02/17/54/571021754.db2.gz DDHJDFGOZKYRKS-QFIPXVFZSA-N 0 3 366.505 4.349 50 0 FIAAHN O=C(NCC1CCN(Cc2cccs2)CC1)Nc1ccccc1Cl ZINC000038584972 571046309 /nfs/dbraw/zinc/04/63/09/571046309.db2.gz WCCXCVDTIDXHPG-UHFFFAOYSA-N 0 3 363.914 4.435 50 0 FIAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Nc3ccc(C)c(C)c3)C2)cc1 ZINC000008614012 571052606 /nfs/dbraw/zinc/05/26/06/571052606.db2.gz YBEQARLMYVDZPS-FQEVSTJZSA-N 0 3 351.494 4.255 50 0 FIAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000008614040 571052623 /nfs/dbraw/zinc/05/26/23/571052623.db2.gz KPOMOQCZFUZOEG-KRWDZBQOSA-N 0 3 357.885 4.292 50 0 FIAAHN CCCOC(=O)c1ccc2[nH]c(C)c(CN3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717198 571056872 /nfs/dbraw/zinc/05/68/72/571056872.db2.gz ZDTZEXREGSNIPY-CQSZACIVSA-N 0 3 356.466 4.048 50 0 FIAAHN CN(C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc21)Cc1ccccc1 ZINC000008726420 571057984 /nfs/dbraw/zinc/05/79/84/571057984.db2.gz CFWXDBJCHDYMMO-HNNXBMFYSA-N 0 3 374.410 4.233 50 0 FIAAHN COc1cccc(OC)c1OCCCCN1CCCC[C@H]1c1cccnc1 ZINC000008739614 571058763 /nfs/dbraw/zinc/05/87/63/571058763.db2.gz APOOIRABIOCBJH-IBGZPJMESA-N 0 3 370.493 4.485 50 0 biogenic FIAAHN [O-]c1cc(OCC[NH+]2CCCCC2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000008743297 571059006 /nfs/dbraw/zinc/05/90/06/571059006.db2.gz LXNJURHOWBPTCM-UHFFFAOYSA-N 0 3 363.461 4.314 50 0 FIAAHN CCCN(Cc1ccc(OC)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018707 571061171 /nfs/dbraw/zinc/06/11/71/571061171.db2.gz FZVUZEKELDXMEV-UHFFFAOYSA-N 0 3 367.445 4.222 50 0 FIAAHN CC[C@@H](NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1F ZINC000225771952 571064419 /nfs/dbraw/zinc/06/44/19/571064419.db2.gz JGVAMICNMZJWNG-FOIQADDNSA-N 0 3 358.432 4.168 50 0 FIAAHN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCc2ccccc2C1 ZINC000002827533 571070265 /nfs/dbraw/zinc/07/02/65/571070265.db2.gz BGEWMJCGLAFDHL-QHCPKHFHSA-N 0 3 359.469 4.152 50 0 FIAAHN Cc1cc(-c2csc(NC(=O)C3Oc4ccccc4O[C@H]3C)n2)c(C)o1 ZINC000084081687 571070662 /nfs/dbraw/zinc/07/06/62/571070662.db2.gz OIYXLHJODVKYNJ-SJCJKPOMSA-N 0 3 370.430 4.187 50 0 FIAAHN C[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000044934196 571105351 /nfs/dbraw/zinc/10/53/51/571105351.db2.gz XMRWNNOOCJQDQT-OAHLLOKOSA-N 0 3 358.432 4.054 50 0 FIAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3SC)cc2C)CC1 ZINC000009368800 571107024 /nfs/dbraw/zinc/10/70/24/571107024.db2.gz ZAAMDQKVIPHMNG-UHFFFAOYSA-N 0 3 369.534 4.111 50 0 FIAAHN CN(C)[C@H](CNC(=O)Nc1ccccc1Cl)c1cn(C)c2ccccc12 ZINC000075149220 571156941 /nfs/dbraw/zinc/15/69/41/571156941.db2.gz NHJYSWILEADZJV-LJQANCHMSA-N 0 3 370.884 4.256 50 0 FIAAHN CCc1ccc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000001179473 571164970 /nfs/dbraw/zinc/16/49/70/571164970.db2.gz BHOLYRNEZWYHGO-UHFFFAOYSA-N 0 3 362.517 4.046 50 0 FIAAHN CN(C)[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1csc2ccccc21 ZINC000575619453 571172440 /nfs/dbraw/zinc/17/24/40/571172440.db2.gz FOSBRTWNOYYDPY-IBGZPJMESA-N 0 3 363.486 4.415 50 0 FIAAHN Cc1c[nH]c(CN2CCC[C@H](CCc3c(F)cccc3F)C2)c(C)c1=O ZINC000072146097 571173281 /nfs/dbraw/zinc/17/32/81/571173281.db2.gz HNWVDJZGFPVLTI-MRXNPFEDSA-N 0 3 360.448 4.115 50 0 FIAAHN CN(C)[C@@H](CNC(=O)/C=C/c1ccsc1)c1csc2ccccc21 ZINC000575622218 571173510 /nfs/dbraw/zinc/17/35/10/571173510.db2.gz XVGQBIKNINYLDI-OZSKJFCKSA-N 0 3 356.516 4.395 50 0 FIAAHN CC(C)c1cccc(C(C)C)c1NC(=O)CNC[C@@H](O)c1ccccc1 ZINC000003339020 571180953 /nfs/dbraw/zinc/18/09/53/571180953.db2.gz LNZPRRDDFWZSLE-HXUWFJFHSA-N 0 3 354.494 4.195 50 0 FIAAHN CC1CCN([C@@H](CNC(=O)/C=C/c2cccs2)c2cccs2)CC1 ZINC000033028232 571185242 /nfs/dbraw/zinc/18/52/42/571185242.db2.gz CZOMGRXCMLGTDW-LXXRFIIISA-N 0 3 360.548 4.412 50 0 FIAAHN O[C@H](CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1F ZINC000028915393 571192213 /nfs/dbraw/zinc/19/22/13/571192213.db2.gz OHLSPYONVBTZHM-RDTXWAMCSA-N 0 3 356.466 4.348 50 0 FIAAHN Cc1ccc(-n2cc(CN3CCN(C)[C@H](C)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000072478190 571199552 /nfs/dbraw/zinc/19/95/52/571199552.db2.gz FPYHEOQFRJSJIJ-HXUWFJFHSA-N 0 3 374.532 4.292 50 0 FIAAHN CSc1ccccc1NC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000077505723 571214025 /nfs/dbraw/zinc/21/40/25/571214025.db2.gz XBFRHAPNILMTFS-PKOBYXMFSA-N 0 3 369.534 4.278 50 0 FIAAHN CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(CN(C)C)cc2)on1 ZINC000077564903 571215607 /nfs/dbraw/zinc/21/56/07/571215607.db2.gz ZNCDGAYCYZENMB-HXUWFJFHSA-N 0 3 369.509 4.302 50 0 FIAAHN O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCN2CCC[C@@H]2C1 ZINC000426386879 571218023 /nfs/dbraw/zinc/21/80/23/571218023.db2.gz JLKREWCSWGORTC-QGZVFWFLSA-N 0 3 374.406 4.293 50 0 FIAAHN CO[C@]12CCN(Cc3ccc(-c4ccccc4Cl)o3)[C@H]1C[C@@H](O)CC2 ZINC000426615588 571233350 /nfs/dbraw/zinc/23/33/50/571233350.db2.gz UELUZWXHPSESDE-PNHOKKKMSA-N 0 3 361.869 4.104 50 0 FIAAHN Cc1cccc(-c2ccc(C(=O)N(C)[C@H](CN(C)C)c3ccccc3)cc2)n1 ZINC000426707382 571236006 /nfs/dbraw/zinc/23/60/06/571236006.db2.gz IUVLXQPGESNGKS-HSZRJFAPSA-N 0 3 373.500 4.432 50 0 FIAAHN Cc1ccnc(-c2ccc(C(=O)N(C)Cc3ccc(CN(C)C)cc3)cc2)c1 ZINC000426728232 571236684 /nfs/dbraw/zinc/23/66/84/571236684.db2.gz IACYUPLNVZVOIV-UHFFFAOYSA-N 0 3 373.500 4.391 50 0 FIAAHN O[C@H](COc1ccccc1)CN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000036102503 571241865 /nfs/dbraw/zinc/24/18/65/571241865.db2.gz SIYVCWYVFDDUHA-QFIPXVFZSA-N 0 3 365.448 4.268 50 0 FIAAHN COc1ccccc1CN(Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036102780 571241898 /nfs/dbraw/zinc/24/18/98/571241898.db2.gz NTZSIMCRPSHGQA-QHCPKHFHSA-N 0 3 361.485 4.301 50 0 FIAAHN Cc1ccc(CN(Cc2ccccc2)C[C@H](O)COCc2ccco2)cc1 ZINC000036101741 571241987 /nfs/dbraw/zinc/24/19/87/571241987.db2.gz TVHMNNNXRHRRKD-QFIPXVFZSA-N 0 3 365.473 4.168 50 0 FIAAHN CCN1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC000006774895 571245924 /nfs/dbraw/zinc/24/59/24/571245924.db2.gz OADSCBDXWXIIGZ-UHFFFAOYSA-N 0 3 352.869 4.092 50 0 FIAAHN CC(C)N1CCC(Nc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000036618610 571258132 /nfs/dbraw/zinc/25/81/32/571258132.db2.gz CHLXHTCKHSYIGB-UHFFFAOYSA-N 0 3 364.415 4.447 50 0 FIAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1(c2ccc(F)cc2)CCCC1 ZINC000036710017 571261944 /nfs/dbraw/zinc/26/19/44/571261944.db2.gz VXKXPUJXHLYGTC-OAQYLSRUSA-N 0 3 366.480 4.028 50 0 FIAAHN COCCOCCOc1ccc(CN(C)[C@@H](C)c2ccc(C)cc2)cc1 ZINC000170607381 571267376 /nfs/dbraw/zinc/26/73/76/571267376.db2.gz SVNXTEQJVOPTIP-IBGZPJMESA-N 0 3 357.494 4.230 50 0 FIAAHN CC(C)CCN1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@@H]1C ZINC000037356554 571275009 /nfs/dbraw/zinc/27/50/09/571275009.db2.gz VSWVHWGNPLDBIN-INIZCTEOSA-N 0 3 374.916 4.479 50 0 FIAAHN c1ccc(CNCC(CNCc2ccccc2)OCc2ccccc2)cc1 ZINC000071788913 571309176 /nfs/dbraw/zinc/30/91/76/571309176.db2.gz VEWAVIZCCYAISZ-UHFFFAOYSA-N 0 3 360.501 4.151 50 0 FIAAHN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC1CCC(C)(C)CC1 ZINC000095453865 571329923 /nfs/dbraw/zinc/32/99/23/571329923.db2.gz VHWJDLPPIYGOSO-UHFFFAOYSA-N 0 3 359.514 4.122 50 0 FIAAHN Fc1ccc(C2(NCc3ccc(F)c4cccnc34)CCOCC2)cc1 ZINC000095953321 571332781 /nfs/dbraw/zinc/33/27/81/571332781.db2.gz QEPUAPLQVPFHKC-UHFFFAOYSA-N 0 3 354.400 4.309 50 0 FIAAHN COC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000095983707 571333395 /nfs/dbraw/zinc/33/33/95/571333395.db2.gz WZWRUHLLHMZFMJ-PXNSSMCTSA-N 0 3 367.468 4.228 50 0 FIAAHN Cc1cc(C)cc(NC(=S)N(CCN(C)C)[C@@H](C)c2ccncc2)c1 ZINC000003049955 571344218 /nfs/dbraw/zinc/34/42/18/571344218.db2.gz WERYMCUKFHYFNP-KRWDZBQOSA-N 0 3 356.539 4.020 50 0 FIAAHN C[C@H](NC(=S)NC1CCCCC1)[C@H](c1cccs1)N1CCCC1 ZINC000003211455 571345598 /nfs/dbraw/zinc/34/55/98/571345598.db2.gz LDSSHFVKURPSKD-WMLDXEAASA-N 0 3 351.585 4.070 50 0 FIAAHN S=C(Nc1ccccc1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000003287059 571346674 /nfs/dbraw/zinc/34/66/74/571346674.db2.gz VFQCUBOUTDETBK-UHFFFAOYSA-N 0 3 359.926 4.291 50 0 FIAAHN COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccccc2C(C)C)cc1 ZINC000003416964 571349285 /nfs/dbraw/zinc/34/92/85/571349285.db2.gz ACFMQNZEFSOBOS-KNQAVFIVSA-N 0 3 369.505 4.395 50 0 FIAAHN O=C(NCCCN1CCc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000032398879 571357350 /nfs/dbraw/zinc/35/73/50/571357350.db2.gz LRMXVODIUCNQFK-UHFFFAOYSA-N 0 3 363.288 4.172 50 0 FIAAHN COc1cc(OC)c(OC)cc1CN1CCC2(C=Cc3ccccc32)CC1 ZINC000023279617 1083671009 /nfs/dbraw/zinc/67/10/09/1083671009.db2.gz HRPGSHSZVAUYET-UHFFFAOYSA-N 0 3 365.473 4.273 50 0 FIAAHN Cc1ccc2sc(C(=O)NC[C@@H]3CCN(C)[C@H]3c3cccnc3)cc2c1 ZINC000412539512 1085862256 /nfs/dbraw/zinc/86/22/56/1085862256.db2.gz KASBVGYNCJMBDJ-JXFKEZNVSA-N 0 3 365.502 4.028 50 0 FIAAHN CC(C)n1cc(CN2CCC[C@@H]2CCc2noc(-c3ccccc3)n2)cn1 ZINC000675019083 1090900727 /nfs/dbraw/zinc/90/07/27/1090900727.db2.gz ACBVQFIOGWQIEQ-LJQANCHMSA-N 0 3 365.481 4.111 50 0 FIAAHN Cc1[nH]c2c(cc(F)cc2CNCc2cccn2-c2nccs2)c1C ZINC000011879831 1125412227 /nfs/dbraw/zinc/41/22/27/1125412227.db2.gz PMKRHQNUMUODJU-UHFFFAOYSA-N 0 3 354.454 4.461 50 0 FIAAHN Cc1cc(-n2cccn2)ccc1CN1CCC(Oc2cccc(F)c2)CC1 ZINC000215450681 222647624 /nfs/dbraw/zinc/64/76/24/222647624.db2.gz IVRJIWFAZFVRHP-UHFFFAOYSA-N 0 3 365.452 4.363 50 0 FIAAHN Cc1ccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)s1 ZINC000000757332 219318851 /nfs/dbraw/zinc/31/88/51/219318851.db2.gz UEZKUXJIZLEOTQ-UHFFFAOYSA-N 0 3 366.324 4.303 50 0 FIAAHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000000819274 219325255 /nfs/dbraw/zinc/32/52/55/219325255.db2.gz XCTSRNBKVVVKJI-UHFFFAOYSA-N 0 3 350.506 4.256 50 0 FIAAHN C[C@H](CN1CCCCC1)OC(=O)C1c2ccccc2Oc2ccccc21 ZINC000001300550 219393528 /nfs/dbraw/zinc/39/35/28/219393528.db2.gz HTGGGQRKDDWKKW-MRXNPFEDSA-N 0 3 351.446 4.342 50 0 FIAAHN O=C1CC[C@H](CCNCc2ccccc2F)N1CCc1ccc(Cl)cc1 ZINC000299766125 223085791 /nfs/dbraw/zinc/08/57/91/223085791.db2.gz ASTHPAXZUZNDAR-LJQANCHMSA-N 0 3 374.887 4.193 50 0 FIAAHN O=C(Nc1ccc(F)cc1F)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC000299769898 223089746 /nfs/dbraw/zinc/08/97/46/223089746.db2.gz OLNSVXXIRDERNV-AEFFLSMTSA-N 0 3 371.431 4.093 50 0 FIAAHN COCCN(C)Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012612321 220013256 /nfs/dbraw/zinc/01/32/56/220013256.db2.gz VLVCMGVKIWVTRK-UHFFFAOYSA-N 0 3 373.859 4.410 50 0 FIAAHN CCC(C)(C)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000012792115 220030780 /nfs/dbraw/zinc/03/07/80/220030780.db2.gz RSXIYSRUKDUKKR-KRWDZBQOSA-N 0 3 373.884 4.389 50 0 FIAAHN 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CCN(Cc1cnc2c(-c3ccccc3)cnn2c1)[C@H]1CCOC(C)(C)C1 ZINC000067868645 221297144 /nfs/dbraw/zinc/29/71/44/221297144.db2.gz NPSGVLZTQQRKJB-IBGZPJMESA-N 0 3 364.493 4.176 50 0 FIAAHN Nc1ncccc1CN1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000067966473 221311078 /nfs/dbraw/zinc/31/10/78/221311078.db2.gz JJLQICKGSWWTCO-UHFFFAOYSA-N 0 3 367.884 4.087 50 0 FIAAHN Cc1cc(C)c2nccc(N3CCC4(CC3)Nc3ccccc3NC4=O)c2c1 ZINC000082107709 132195415 /nfs/dbraw/zinc/19/54/15/132195415.db2.gz NVNMNDONSLCNQD-UHFFFAOYSA-N 0 3 372.472 4.255 50 0 FIAAHN c1cn(Cc2cccnc2)c(C2CCN(c3ccnc4ccccc43)CC2)n1 ZINC000091663265 132203125 /nfs/dbraw/zinc/20/31/25/132203125.db2.gz IXMCJUGOYFQCCG-UHFFFAOYSA-N 0 3 369.472 4.259 50 0 FIAAHN CCN(CC)Cc1cccc(NC(=O)N(C)[C@H](C)Cc2cc(C)ccn2)c1 ZINC000097272507 222172075 /nfs/dbraw/zinc/17/20/75/222172075.db2.gz ZHBXFYQQOIEKCW-GOSISDBHSA-N 0 3 368.525 4.327 50 0 FIAAHN O[C@H](CNCc1ccccc1OCc1ccccc1)c1cccc(F)c1 ZINC000311965036 534430323 /nfs/dbraw/zinc/43/03/23/534430323.db2.gz 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CCOc1ccc(CN2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 ZINC000004725583 570603354 /nfs/dbraw/zinc/60/33/54/570603354.db2.gz RHVJFBPQOVJGII-SFHVURJKSA-N 0 3 366.505 4.175 50 0 FIAAHN CCN1CCN(c2ccc(NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000004741191 570604054 /nfs/dbraw/zinc/60/40/54/570604054.db2.gz WWHJBACCYIUHCD-UHFFFAOYSA-N 0 3 359.473 4.234 50 0 FIAAHN O=C(Nc1ccc(Cl)cc1Cl)N1CCN(C2CCCCC2)CC1 ZINC000006699231 570652429 /nfs/dbraw/zinc/65/24/29/570652429.db2.gz CDWSQJSLMAQPAP-UHFFFAOYSA-N 0 3 356.297 4.476 50 0 FIAAHN Cc1ccc(C)c(NC(=S)N(CCN(C)C)[C@H](C)c2cccnc2)c1 ZINC000002934096 570676859 /nfs/dbraw/zinc/67/68/59/570676859.db2.gz OWAZAURZBHZMBQ-QGZVFWFLSA-N 0 3 356.539 4.020 50 0 FIAAHN CC[C@H](CO)NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008337141 570680699 /nfs/dbraw/zinc/68/06/99/570680699.db2.gz JYQKFFMEDNOYKX-MRXNPFEDSA-N 0 3 354.277 4.433 50 0 FIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(C)nc2ccccc21 ZINC000008745141 570687210 /nfs/dbraw/zinc/68/72/10/570687210.db2.gz 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CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000012314261 570735921 /nfs/dbraw/zinc/73/59/21/570735921.db2.gz CLFNFTSRWZUQGV-SFHVURJKSA-N 0 3 356.897 4.119 50 0 FIAAHN CC(C)=CCN1CCC(C(=O)Nc2cccc(-c3nnc(C)s3)c2)CC1 ZINC000012385850 570741247 /nfs/dbraw/zinc/74/12/47/570741247.db2.gz UEELNHGSQLBJCP-UHFFFAOYSA-N 0 3 370.522 4.130 50 0 FIAAHN Cc1cccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)c1 ZINC000012387119 570741386 /nfs/dbraw/zinc/74/13/86/570741386.db2.gz QJXFORQKZFEZHR-LJQANCHMSA-N 0 3 368.496 4.161 50 0 FIAAHN CCOc1ccc(-c2nc(CN3CCCC[C@@H]3CCCO)c(C)o2)cc1 ZINC000012438684 570745694 /nfs/dbraw/zinc/74/56/94/570745694.db2.gz XEFLQLZIIYBDPW-GOSISDBHSA-N 0 3 358.482 4.176 50 0 FIAAHN CN1CCN(c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)CC1 ZINC000032625340 570759898 /nfs/dbraw/zinc/75/98/98/570759898.db2.gz LJSIXDJBHLLWHD-UHFFFAOYSA-N 0 3 352.869 4.384 50 0 FIAAHN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)o1 ZINC000036697607 570881416 /nfs/dbraw/zinc/88/14/16/570881416.db2.gz 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CC(C)c1ncc(CNc2cccc(N3CCN(C(C)C)CC3)c2)s1 ZINC000097032358 132227274 /nfs/dbraw/zinc/22/72/74/132227274.db2.gz YINRDKIUZRSHTD-UHFFFAOYSA-N 0 3 358.555 4.409 50 0 FIAAHN CN(Cc1cccnc1)C[C@H]1CCCN(c2nccc3ccsc32)C1 ZINC000328592757 132371462 /nfs/dbraw/zinc/37/14/62/132371462.db2.gz MVHAMHVVNZVGGD-QGZVFWFLSA-N 0 3 352.507 4.040 50 0 FIAAHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 ZINC000095466884 221914948 /nfs/dbraw/zinc/91/49/48/221914948.db2.gz WJYFAQYBMUXADQ-TUKIKUTGSA-N 0 3 366.552 4.181 50 0 FIAAHN CN(C)[C@@H](CNCc1ccc(-n2cnc3ccccc32)cc1)c1ccco1 ZINC000095956313 221979738 /nfs/dbraw/zinc/97/97/38/221979738.db2.gz ZDHDHIJJNKUWCS-NRFANRHFSA-N 0 3 360.461 4.011 50 0 FIAAHN COCCCOc1cccc(CNCc2cccc(OC(F)(F)F)c2)c1 ZINC000097020845 222151874 /nfs/dbraw/zinc/15/18/74/222151874.db2.gz VQABUQJBJLJCDJ-UHFFFAOYSA-N 0 3 369.383 4.290 50 0 FIAAHN Cc1nccc(C2CCN(Cc3ccc([C@H]4CCCCO4)s3)CC2)n1 ZINC000097716982 222207743 /nfs/dbraw/zinc/20/77/43/222207743.db2.gz 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/nfs/dbraw/zinc/20/49/90/535204990.db2.gz ADENGJJNBMHTBM-UHFFFAOYSA-N 0 3 360.505 4.377 50 0 FIAAHN Cc1ccc2[nH]c([C@@H](NC(=O)C3(N4CCCC4)CCCC3)C(C)C)nc2c1 ZINC000220228257 568329995 /nfs/dbraw/zinc/32/99/95/568329995.db2.gz DNSDDBNAZDAUME-IBGZPJMESA-N 0 3 368.525 4.093 50 0 FIAAHN Cc1ccc2nc([C@@H](NC(=O)C3(N4CCCC4)CCCC3)C(C)C)[nH]c2c1 ZINC000220228257 568329996 /nfs/dbraw/zinc/32/99/96/568329996.db2.gz DNSDDBNAZDAUME-IBGZPJMESA-N 0 3 368.525 4.093 50 0 FIAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CC[C@H](c2ccccc2F)C1 ZINC000095372374 570456858 /nfs/dbraw/zinc/45/68/58/570456858.db2.gz PAXWYOOHIHUYDP-FQEVSTJZSA-N 0 3 366.480 4.441 50 0 FIAAHN c1c(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)onc1-c1ccccc1 ZINC000095391610 570461168 /nfs/dbraw/zinc/46/11/68/570461168.db2.gz WNESJFTUNVNUQU-RBBKRZOGSA-N 0 3 373.500 4.438 50 0 FIAAHN CCc1csc(CNC2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000095496888 570461813 /nfs/dbraw/zinc/46/18/13/570461813.db2.gz CNMJJHVYSAYOFM-UHFFFAOYSA-N 0 3 358.536 4.074 50 0 FIAAHN Cc1cccc([C@@H]2C[C@@H](C(=O)NC3CC3)CN(Cc3ccccc3F)C2)c1 ZINC000034711192 570532766 /nfs/dbraw/zinc/53/27/66/570532766.db2.gz KNEISNJTZDCOMU-WOJBJXKFSA-N 0 3 366.480 4.018 50 0 FIAAHN Cc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c1 ZINC000002879344 570542132 /nfs/dbraw/zinc/54/21/32/570542132.db2.gz QECYZYHDCZUOTE-UHFFFAOYSA-N 0 3 352.478 4.307 50 0 FIAAHN CCNC(=O)[C@H]1C[C@@H](c2ccc(F)cc2)CN(Cc2ccccc2Cl)C1 ZINC000034716601 570544823 /nfs/dbraw/zinc/54/48/23/570544823.db2.gz VRKMRYOIDJUCIQ-MSOLQXFVSA-N 0 3 374.887 4.221 50 0 FIAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1cccc(Br)c1 ZINC000003314851 570559247 /nfs/dbraw/zinc/55/92/47/570559247.db2.gz QGNMHDSQWCWSDA-AWEZNQCLSA-N 0 3 362.267 4.126 50 0 FIAAHN O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCCCC1 ZINC000003864453 570569849 /nfs/dbraw/zinc/56/98/49/570569849.db2.gz TVXMKVJQQHBZPQ-GAWOJFTKSA-N 0 3 369.549 4.380 50 0 FIAAHN O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCc2ccccc2C1 ZINC000004744935 570604554 /nfs/dbraw/zinc/60/45/54/570604554.db2.gz 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/nfs/dbraw/zinc/73/43/16/570734316.db2.gz YHGZVXWMCIIZJM-HXUWFJFHSA-N 0 3 365.477 4.467 50 0 FIAAHN CN(C(=O)CCCc1ccccc1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012438798 570745714 /nfs/dbraw/zinc/74/57/14/570745714.db2.gz BXOBHKOWUKRQKZ-QHCPKHFHSA-N 0 3 364.533 4.175 50 0 FIAAHN COc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)cc(Br)c1O ZINC000004988949 570774998 /nfs/dbraw/zinc/77/49/98/570774998.db2.gz GHCGQOCTIDGCLX-ZFWWWQNUSA-N 0 3 354.288 4.318 50 0 FIAAHN CC[C@H](O)CN(CCC(C)C)Cc1cccn1Cc1cccc(OC)c1 ZINC000004513528 570810899 /nfs/dbraw/zinc/81/08/99/570810899.db2.gz RBQHJLHMMYQIOA-NRFANRHFSA-N 0 3 358.526 4.164 50 0 FIAAHN C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032865786 570824979 /nfs/dbraw/zinc/82/49/79/570824979.db2.gz AQAUEDMYXMDINT-KRWDZBQOSA-N 0 3 369.484 4.193 50 0 FIAAHN C[C@H](C(=O)N1CCc2ccccc21)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000032879765 570834209 /nfs/dbraw/zinc/83/42/09/570834209.db2.gz SDVRABMTWWLJPY-QGZVFWFLSA-N 0 3 373.500 4.325 50 0 FIAAHN CCN(CC)[C@@H](CNC(=O)C(F)(F)c1ccccc1)c1ccsc1 ZINC000048333362 570946911 /nfs/dbraw/zinc/94/69/11/570946911.db2.gz HDNYPTBPOICBCU-INIZCTEOSA-N 0 3 352.450 4.039 50 0 FIAAHN CC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)c1ccccc1 ZINC000023182556 570958355 /nfs/dbraw/zinc/95/83/55/570958355.db2.gz XPRRJJDXSXLYTE-YADHBBJMSA-N 0 3 368.521 4.388 50 0 FIAAHN Cc1ccc(CNC(=O)CC[C@H]2CCCN(C/C=C/c3ccco3)C2)o1 ZINC000023251188 570961034 /nfs/dbraw/zinc/96/10/34/570961034.db2.gz CBRZDSQACKMJGU-HNSSHINMSA-N 0 3 356.466 4.003 50 0 FIAAHN CCOc1cccc(CNCCc2ccc(OC)cc2)c1OC(F)F ZINC000023409449 570963346 /nfs/dbraw/zinc/96/33/46/570963346.db2.gz NMVUUHXGDDDGBR-UHFFFAOYSA-N 0 3 351.393 4.028 50 0 FIAAHN O=C(Cc1cccc2ccccc21)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027582257 571014434 /nfs/dbraw/zinc/01/44/34/571014434.db2.gz GEKXVCFBODHPLO-FQEVSTJZSA-N 0 3 364.514 4.397 50 0 FIAAHN CC(C)c1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000027582181 571014532 /nfs/dbraw/zinc/01/45/32/571014532.db2.gz 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/nfs/dbraw/zinc/07/09/36/571070936.db2.gz BLOAWBJDLRBEDT-ROUUACIJSA-N 0 3 361.869 4.228 50 0 FIAAHN CCOc1ccccc1CN1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000004725581 571072436 /nfs/dbraw/zinc/07/24/36/571072436.db2.gz FFHXVHHHMNLQSV-SFHVURJKSA-N 0 3 366.505 4.175 50 0 FIAAHN C[C@@H](NC[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000005073769 571072777 /nfs/dbraw/zinc/07/27/77/571072777.db2.gz ZBVOHBSEOKWMAV-AFPPVCGUSA-N 0 3 357.538 4.321 50 0 FIAAHN CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 ZINC000008924887 571074715 /nfs/dbraw/zinc/07/47/15/571074715.db2.gz ZNQDDYNWXSTWTF-GOSISDBHSA-N 0 3 352.409 4.118 50 0 FIAAHN COc1ccc(OC[C@@H](O)CN(CCC(C)C)Cc2cccs2)cc1 ZINC000036096672 571079576 /nfs/dbraw/zinc/07/95/76/571079576.db2.gz OEONEMYCHATEDT-KRWDZBQOSA-N 0 3 363.523 4.045 50 0 FIAAHN CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2c(C)noc2C)CC1 ZINC000040139320 571083787 /nfs/dbraw/zinc/08/37/87/571083787.db2.gz IPCIYKAWWAXOQK-FQEVSTJZSA-N 0 3 370.493 4.240 50 0 FIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1[nH]c2ccccc2c1Cl ZINC000040143280 571084898 /nfs/dbraw/zinc/08/48/98/571084898.db2.gz PYDLQAVXPLVEDC-UHFFFAOYSA-N 0 3 367.880 4.216 50 0 FIAAHN O=c1[nH]c2ccccc2cc1CN[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000084594846 571091419 /nfs/dbraw/zinc/09/14/19/571091419.db2.gz GTWUAMREJCWSHX-LJQANCHMSA-N 0 3 370.399 4.297 50 0 FIAAHN CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000009062845 571094675 /nfs/dbraw/zinc/09/46/75/571094675.db2.gz ZPUIJTOCKZNDRU-UHFFFAOYSA-N 0 3 352.478 4.325 50 0 FIAAHN c1ccc(C(c2ccccc2)N2CCN(C3CCSCC3)CC2)cc1 ZINC000244899974 571120034 /nfs/dbraw/zinc/12/00/34/571120034.db2.gz ZTRUTDROCGPOCI-UHFFFAOYSA-N 0 3 352.547 4.289 50 0 FIAAHN Cc1cn2c(nc(CN(Cc3ccc(C)cc3)CC(C)C)cc2=O)s1 ZINC000033068945 571144867 /nfs/dbraw/zinc/14/48/67/571144867.db2.gz BVFOUQQHDDRDDN-UHFFFAOYSA-N 0 3 355.507 4.031 50 0 FIAAHN CCOC(=O)c1oc2cc(-c3ccccc3)cc(O)c2c1CNC(C)C ZINC000075284291 571160007 /nfs/dbraw/zinc/16/00/07/571160007.db2.gz LZLGLXRZWPTOIL-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/12/21/90/220122190.db2.gz ODHYQXCGVWRVAB-VQHVLOKHSA-N 0 3 360.910 4.196 50 0 FIAAHN Oc1cccc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)c1 ZINC000014979966 220138198 /nfs/dbraw/zinc/13/81/98/220138198.db2.gz FAZGXDYZWBDOII-QFIPXVFZSA-N 0 3 372.459 4.159 50 0 FIAAHN Cc1c([O-])ccc2c(C[NH2+][C@@H](c3ccc(F)cc3)C(C)C)cc(=O)oc12 ZINC000015550540 220156140 /nfs/dbraw/zinc/15/61/40/220156140.db2.gz XGOKNTIKVIXIRQ-HXUWFJFHSA-N 0 3 355.409 4.433 50 0 FIAAHN O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000015539456 220156268 /nfs/dbraw/zinc/15/62/68/220156268.db2.gz NPFQITMNVNKDMI-DEOSSOPVSA-N 0 3 370.496 4.287 50 0 FIAAHN CCN(Cc1ccc(OC)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862349 220169913 /nfs/dbraw/zinc/16/99/13/220169913.db2.gz UJFKVJNDOBGKDX-UHFFFAOYSA-N 0 3 356.853 4.212 50 0 FIAAHN c1c2ccccc2[nH]c1SCCCN1CCN(Cc2ccccc2)CC1 ZINC000019370530 220253873 /nfs/dbraw/zinc/25/38/73/220253873.db2.gz HQJHECLPPWWBMM-UHFFFAOYSA-N 0 3 365.546 4.468 50 0 FIAAHN CN1CCC(N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000019865480 220304328 /nfs/dbraw/zinc/30/43/28/220304328.db2.gz VFZCHBMRNKYGDO-JOCHJYFZSA-N 0 3 362.517 4.343 50 0 FIAAHN COc1cc(CN2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc(OC)c1 ZINC000020999636 220348079 /nfs/dbraw/zinc/34/80/79/220348079.db2.gz RBJWZOQLXZYUSU-KRWDZBQOSA-N 0 3 357.498 4.005 50 0 FIAAHN O=C1CCN(Cc2cccs2)CCN1Cc1ccccc1C(F)(F)F ZINC000020999680 220348285 /nfs/dbraw/zinc/34/82/85/220348285.db2.gz SOPMNECAKOCPOH-UHFFFAOYSA-N 0 3 368.424 4.001 50 0 FIAAHN Cc1nn2c(nc(C(C)(C)C)cc2NCCN(C)C)c1-c1ccc(F)cc1 ZINC000021799240 220367131 /nfs/dbraw/zinc/36/71/31/220367131.db2.gz GDQSAJGSKAABGQ-UHFFFAOYSA-N 0 3 369.488 4.115 50 0 FIAAHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000022089105 220376534 /nfs/dbraw/zinc/37/65/34/220376534.db2.gz BISYYRCOAMRFGY-NRFANRHFSA-N 0 3 364.493 4.009 50 0 FIAAHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C)cc2C)cc1 ZINC000026311295 220509797 /nfs/dbraw/zinc/50/97/97/220509797.db2.gz VUNGEBBHVQZZLM-SFHVURJKSA-N 0 3 374.550 4.185 50 0 FIAAHN CCN(CC)[C@H](CNC(=O)c1cn(C)c2ccccc12)c1ccsc1 ZINC000048299811 221005711 /nfs/dbraw/zinc/00/57/11/221005711.db2.gz RRSSGAGWCSJGBG-LJQANCHMSA-N 0 3 355.507 4.053 50 0 FIAAHN CC(=O)Nc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000048781326 221014062 /nfs/dbraw/zinc/01/40/62/221014062.db2.gz QWRBGZLFXCJHRS-UHFFFAOYSA-N 0 3 365.477 4.064 50 0 FIAAHN CC(C)NC(=O)Nc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 ZINC000048784752 221014583 /nfs/dbraw/zinc/01/45/83/221014583.db2.gz SPAQFFKGOXBRIF-UHFFFAOYSA-N 0 3 363.408 4.108 50 0 FIAAHN C[C@@H]1CCCC[C@H]1OCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000048237300 221002077 /nfs/dbraw/zinc/00/20/77/221002077.db2.gz FYCYQQRHCFJUHJ-VGOFRKELSA-N 0 3 370.537 4.139 50 0 FIAAHN COCc1ccc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)o1 ZINC000055099406 221059261 /nfs/dbraw/zinc/05/92/61/221059261.db2.gz PNWUMMVFFXSNIH-QFIPXVFZSA-N 0 3 372.484 4.053 50 0 FIAAHN Cc1cc(C)n(C[C@H](C)NCc2cnc(-c3ccc4ccccc4c3)nc2)n1 ZINC000055182666 221061482 /nfs/dbraw/zinc/06/14/82/221061482.db2.gz FKBPVYWFMQVRPT-KRWDZBQOSA-N 0 3 371.488 4.288 50 0 FIAAHN CSc1ccc(CN(C)Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 ZINC000058143503 221099584 /nfs/dbraw/zinc/09/95/84/221099584.db2.gz YZQJRLCHUHHLAZ-UHFFFAOYSA-N 0 3 355.459 4.161 50 0 FIAAHN C[C@@H]1CN(CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 ZINC000060368538 221130553 /nfs/dbraw/zinc/13/05/53/221130553.db2.gz UNPMEYMQKWGFIN-HZPDHXFCSA-N 0 3 370.459 4.027 50 0 FIAAHN O=C(Cc1ccc2ccccc2c1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000062231302 221139139 /nfs/dbraw/zinc/13/91/39/221139139.db2.gz IPECTTDKKGVPAH-QFIPXVFZSA-N 0 3 372.512 4.411 50 0 FIAAHN CC(C)CN(Cc1ccc(F)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000064590905 221148944 /nfs/dbraw/zinc/14/89/44/221148944.db2.gz PGQUTCHDCAIJCD-UHFFFAOYSA-N 0 3 373.859 4.145 50 0 FIAAHN CC[C@H](NC(=O)C1=CCN(Cc2cccc(C)c2)CC1)c1cccs1 ZINC000064818035 221152502 /nfs/dbraw/zinc/15/25/02/221152502.db2.gz BULAFTJQAUGMOL-IBGZPJMESA-N 0 3 354.519 4.456 50 0 FIAAHN CCCN(Cc1cccnc1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000065493603 221225937 /nfs/dbraw/zinc/22/59/37/221225937.db2.gz KTUNBACGKZDMBL-UHFFFAOYSA-N 0 3 351.494 4.120 50 0 FIAAHN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H]1CN1CCCC1 ZINC000066945368 221246211 /nfs/dbraw/zinc/24/62/11/221246211.db2.gz NRSNCPLMVSMSCR-OAHLLOKOSA-N 0 3 358.869 4.300 50 0 FIAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2cnc3c(-c4ccccc4)cnn3c2)c1 ZINC000067841369 221292665 /nfs/dbraw/zinc/29/26/65/221292665.db2.gz XFXIZHAWAAVUCR-GOSISDBHSA-N 0 3 371.488 4.163 50 0 FIAAHN COc1ccc(CN2CCCC2)cc1Oc1ccc(C(F)(F)F)cn1 ZINC000067872786 221298787 /nfs/dbraw/zinc/29/87/87/221298787.db2.gz ITXYKTHWZZRARP-UHFFFAOYSA-N 0 3 352.356 4.497 50 0 FIAAHN COc1cccc(-c2cc3c(c(OC)c2)OCCN(CCC(C)C)C3)n1 ZINC000067919759 221304214 /nfs/dbraw/zinc/30/42/14/221304214.db2.gz XGQOIPHWUMYIRT-UHFFFAOYSA-N 0 3 356.466 4.006 50 0 FIAAHN COCCn1ccnc1[C@@H]1CCCN(c2ccnc3c(C)c(C)ccc23)C1 ZINC000095527026 132214719 /nfs/dbraw/zinc/21/47/19/132214719.db2.gz LPBNLGMQETYEOK-GOSISDBHSA-N 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/nfs/dbraw/zinc/04/54/96/222045496.db2.gz GESJPBMIDNSTLA-QGZVFWFLSA-N 0 3 367.493 4.168 50 0 FIAAHN CN(CCN1CCCCCC1)C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000096142176 222045891 /nfs/dbraw/zinc/04/58/91/222045891.db2.gz NKFCVWNHUUFCOY-UHFFFAOYSA-N 0 3 368.481 4.214 50 0 FIAAHN CCOc1cc(CN[C@@H](CN(C)C)c2ccccc2)cc(Cl)c1OC ZINC000096971434 222146973 /nfs/dbraw/zinc/14/69/73/222146973.db2.gz GITJIQDMVLTHPX-SFHVURJKSA-N 0 3 362.901 4.140 50 0 FIAAHN CN(C)C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000096997353 222149880 /nfs/dbraw/zinc/14/98/80/222149880.db2.gz KSEJGYKHLHOGMF-INIZCTEOSA-N 0 3 352.265 4.418 50 0 FIAAHN CC(C)c1ccc(N[C@H]2CCCN(Cc3cccc(OCCO)c3)C2)cc1 ZINC000011817876 263368399 /nfs/dbraw/zinc/36/83/99/263368399.db2.gz DYGGDIZATHHTRS-QFIPXVFZSA-N 0 3 368.521 4.258 50 0 FIAAHN Cc1ccc(-c2cc3c(c(OC[C@@H]4CCCCO4)c2)OCCNC3)s1 ZINC000299766488 534184598 /nfs/dbraw/zinc/18/45/98/534184598.db2.gz JEROMLAUCMDXGX-KRWDZBQOSA-N 0 3 359.491 4.153 50 0 FIAAHN Cc1ccc(-c2cncc(C(=O)N3CCCN(CC4CCC4)CC3)c2)cc1 ZINC000328591327 534196581 /nfs/dbraw/zinc/19/65/81/534196581.db2.gz BILVPAIQTMWEGY-UHFFFAOYSA-N 0 3 363.505 4.005 50 0 FIAAHN CC(=O)c1cccc(CN2CCC[C@H](N(C)CCc3ccccc3)C2)c1 ZINC000020272458 518420907 /nfs/dbraw/zinc/42/09/07/518420907.db2.gz NNPMJPQFZXZWDA-QHCPKHFHSA-N 0 3 350.506 4.028 50 0 FIAAHN CCNCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000253415722 519911540 /nfs/dbraw/zinc/91/15/40/519911540.db2.gz FESFVHJCEOTYDL-OFULPQPTSA-N 0 3 373.500 4.419 50 0 FIAAHN COc1ccccc1[C@@H]1CCN([C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000241869066 524759695 /nfs/dbraw/zinc/75/96/95/524759695.db2.gz SUDWFVNSRVJNFN-HZPDHXFCSA-N 0 3 371.477 4.272 50 0 FIAAHN CC(=O)c1cc(CN2CCCC23CCN(c2cccc(C)n2)CC3)cs1 ZINC000072410608 534818413 /nfs/dbraw/zinc/81/84/13/534818413.db2.gz VCONFNIFEGGLKB-UHFFFAOYSA-N 0 3 369.534 4.289 50 0 FIAAHN COc1coc(CNc2ccccc2CN(C)C2CCCCC2)cc1=O ZINC000079108065 524943211 /nfs/dbraw/zinc/94/32/11/524943211.db2.gz XLEBCHAQNTZJBC-UHFFFAOYSA-N 0 3 356.466 4.025 50 0 FIAAHN Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2Cc2ccc(CC(C)C)s2)C1 ZINC000091411021 527211597 /nfs/dbraw/zinc/21/15/97/527211597.db2.gz WYHKAXSEMRXDON-ZWKOTPCHSA-N 0 3 372.582 4.075 50 0 FIAAHN Cn1cc(NC(=O)c2ccc([C@@H]3CCCN3CC3CCCC3)s2)cn1 ZINC000020168778 527273928 /nfs/dbraw/zinc/27/39/28/527273928.db2.gz YTRCQOFJLVBHFQ-INIZCTEOSA-N 0 3 358.511 4.061 50 0 FIAAHN Cc1c2ccccc2oc1CN1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000215524397 568075107 /nfs/dbraw/zinc/07/51/07/568075107.db2.gz FDYAKCLSDGQHMG-OAQYLSRUSA-N 0 3 360.501 4.416 50 0 FIAAHN CN(C)C[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000007816576 568258093 /nfs/dbraw/zinc/25/80/93/568258093.db2.gz DSZMUIFDJFNZQA-IENJSVCTSA-N 0 3 362.395 4.138 50 0 FIAAHN CCN1CCN(Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)CC1 ZINC000022877272 568312818 /nfs/dbraw/zinc/31/28/18/568312818.db2.gz FSUUEVPKEDJMBW-UHFFFAOYSA-N 0 3 374.912 4.065 50 0 FIAAHN O=C1CC2(CN1C/C=C/c1ccccc1)CCN(Cc1ccsc1)CC2 ZINC000091943395 570442911 /nfs/dbraw/zinc/44/29/11/570442911.db2.gz ANNYGQBYNIYXQZ-QPJJXVBHSA-N 0 3 366.530 4.276 50 0 FIAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1c(C)nccc1-c1ccccc1)C2 ZINC000095364555 570454946 /nfs/dbraw/zinc/45/49/46/570454946.db2.gz OAYIZUFBVXTHTN-UYAOXDASSA-N 0 3 363.505 4.003 50 0 FIAAHN O=C(c1ccc(F)c(Cl)c1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095369634 570456209 /nfs/dbraw/zinc/45/62/09/570456209.db2.gz XTGOBCCYRPVINK-SJLPKXTDSA-N 0 3 372.871 4.216 50 0 FIAAHN O=C(c1cc(Cl)ccc1F)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095374872 570457442 /nfs/dbraw/zinc/45/74/42/570457442.db2.gz PECSRCQTIGAZHK-FUHWJXTLSA-N 0 3 372.871 4.216 50 0 FIAAHN Fc1cccc([C@@H]2CN(Cc3ccsc3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000095385884 570460361 /nfs/dbraw/zinc/46/03/61/570460361.db2.gz RBNHLNBOBOUKIF-PWIZWCRZSA-N 0 3 360.473 4.089 50 0 FIAAHN CCCCN(CCCC)CC(=O)Nc1c2c(nc3ccccc31)N(C)CC2 ZINC000002462036 570521469 /nfs/dbraw/zinc/52/14/69/570521469.db2.gz OPQOYUFUFWQEFT-UHFFFAOYSA-N 0 3 368.525 4.068 50 0 FIAAHN Cc1ccc([C@@H](CN2CCCC2)N(C)C(=O)OCc2ccccc2)cc1 ZINC000002580975 570525815 /nfs/dbraw/zinc/52/58/15/570525815.db2.gz HSYYVIJYVPBYQH-OAQYLSRUSA-N 0 3 352.478 4.401 50 0 FIAAHN c1ccc2sc(C3CCN(C[C@H]4COc5ccccc5O4)CC3)nc2c1 ZINC000004967393 570568760 /nfs/dbraw/zinc/56/87/60/570568760.db2.gz JKCDJIJATSFBGF-INIZCTEOSA-N 0 3 366.486 4.316 50 0 FIAAHN Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000004122066 570577285 /nfs/dbraw/zinc/57/72/85/570577285.db2.gz UXWDVQVDWOURDH-QHCPKHFHSA-N 0 3 361.485 4.437 50 0 FIAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 ZINC000005093575 570583782 /nfs/dbraw/zinc/58/37/82/570583782.db2.gz QOYKGDXYXGESTA-FQEVSTJZSA-N 0 3 365.452 4.181 50 0 FIAAHN C[C@@H](CN1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000004899235 570612771 /nfs/dbraw/zinc/61/27/71/570612771.db2.gz JNEYXKOAZVGKBG-IBGZPJMESA-N 0 3 351.490 4.410 50 0 FIAAHN Cc1cccc([C@@H](O)CN[C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000133601889 570618753 /nfs/dbraw/zinc/61/87/53/570618753.db2.gz WQZUXNKRWQOANO-MSOLQXFVSA-N 0 3 350.384 4.109 50 0 FIAAHN C=Cc1ccc(C(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1 ZINC000011842521 570709228 /nfs/dbraw/zinc/70/92/28/570709228.db2.gz GLKXJLBSCYNWLN-QFIPXVFZSA-N 0 3 360.501 4.033 50 0 FIAAHN Cc1ccsc1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012112100 570718658 /nfs/dbraw/zinc/71/86/58/570718658.db2.gz TZQLPFJQPROAKO-NRFANRHFSA-N 0 3 372.509 4.324 50 0 FIAAHN c1coc(-c2cccc(CN3CCc4nnc(-c5ccccc5)n4CC3)c2)c1 ZINC000012133463 570720692 /nfs/dbraw/zinc/72/06/92/570720692.db2.gz BAPZYSVALOPVDF-UHFFFAOYSA-N 0 3 370.456 4.263 50 0 FIAAHN CN1CCC[C@H](CN(CCc2ccccc2)C(=O)/C=C/c2cccs2)C1 ZINC000012208554 570728181 /nfs/dbraw/zinc/72/81/81/570728181.db2.gz YKJQUZYKIIOUOI-SGWGQVFISA-N 0 3 368.546 4.174 50 0 FIAAHN O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCCN1CC1CC1 ZINC000012304081 570734222 /nfs/dbraw/zinc/73/42/22/570734222.db2.gz NMYURCAKHKMUMY-FQEVSTJZSA-N 0 3 351.450 4.077 50 0 FIAAHN CCOc1ccc(-c2nc(CN3CCCC[C@H]3CCCO)c(C)o2)cc1 ZINC000012438685 570745566 /nfs/dbraw/zinc/74/55/66/570745566.db2.gz 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CC[C@@H]1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN1 ZINC000426406176 571221099 /nfs/dbraw/zinc/22/10/99/571221099.db2.gz OPZOOMVJTFFKPV-GOSISDBHSA-N 0 3 362.395 4.196 50 0 FIAAHN Cc1ccsc1CNC(=O)N1CCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000426445576 571226428 /nfs/dbraw/zinc/22/64/28/571226428.db2.gz MUKRSOKUOZWGSN-SFHVURJKSA-N 0 3 357.523 4.165 50 0 FIAAHN CC(C)c1cc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)on1 ZINC000091574631 571240720 /nfs/dbraw/zinc/24/07/20/571240720.db2.gz WELIXTRJIWHMEX-LJQANCHMSA-N 0 3 355.482 4.145 50 0 FIAAHN COc1cccc(CN(CCC(C)C)C[C@H](O)Cc2ccccc2)c1OC ZINC000036097290 571241062 /nfs/dbraw/zinc/24/10/62/571241062.db2.gz QQHYDPMQAHIWPR-OAQYLSRUSA-N 0 3 371.521 4.156 50 0 FIAAHN CC(C)CN(Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036099227 571241360 /nfs/dbraw/zinc/24/13/60/571241360.db2.gz TYKINCUGOYEAEL-KRWDZBQOSA-N 0 3 353.915 4.299 50 0 FIAAHN Cc1ccc(CN(Cc2ccccc2)C[C@H](O)COCc2ccco2)s1 ZINC000036101140 571241501 /nfs/dbraw/zinc/24/15/01/571241501.db2.gz LMMPQVBJYYPHQH-IBGZPJMESA-N 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