smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(Oc2cccc(CN3CCC(N4CCN(c5ccccc5)CC4)CC3)c2)cc1 ZINC000004549207 132272172 /nfs/dbraw/zinc/27/21/72/132272172.db2.gz ZBSGVXKIIFBCSW-UHFFFAOYSA-N 0 3 427.592 5.266 50 0 IKAAHN CC(C)[C@@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000035844685 519791374 /nfs/dbraw/zinc/79/13/74/519791374.db2.gz ODJZKUQZJMUOKY-LJQANCHMSA-N 0 3 448.960 7.255 50 0 IKAAHN CC(C)[C@H](C)N(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841206 519811961 /nfs/dbraw/zinc/81/19/61/519811961.db2.gz NCQNSBBKHFBJGX-IBGZPJMESA-N 0 3 432.505 6.741 50 0 IKAAHN CCCCN(C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccccc1Cl ZINC000012152288 520421435 /nfs/dbraw/zinc/42/14/35/520421435.db2.gz FWMMVHHBYOVBMN-UHFFFAOYSA-N 0 3 445.972 5.221 50 0 IKAAHN CCN(CC)C(=O)C1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1 ZINC000012714774 520444118 /nfs/dbraw/zinc/44/41/18/520444118.db2.gz HRYSNFFVVDGCRM-UHFFFAOYSA-N 0 3 448.586 5.067 50 0 IKAAHN CCCCN[C@@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012420153 520696160 /nfs/dbraw/zinc/69/61/60/520696160.db2.gz QFPROSYDZYVJDI-HSZRJFAPSA-N 0 3 443.616 6.645 50 0 IKAAHN CCOc1cc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1OC ZINC000012438601 520697977 /nfs/dbraw/zinc/69/79/77/520697977.db2.gz SSTVUCKDVUPLRR-IBGZPJMESA-N 0 3 445.003 5.056 50 0 IKAAHN CCOc1cc(CN[C@@H](C)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000022784123 520726376 /nfs/dbraw/zinc/72/63/76/520726376.db2.gz WTLTXOALKRTCNW-SFHVURJKSA-N 0 3 438.955 5.607 50 0 IKAAHN CCCCOc1ccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)cc1 ZINC000033266331 520850565 /nfs/dbraw/zinc/85/05/65/520850565.db2.gz WSIWACMYKVOANG-UHFFFAOYSA-N 0 3 433.600 5.030 50 0 IKAAHN CCOc1ccc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)cc1 ZINC000012094574 520968718 /nfs/dbraw/zinc/96/87/18/520968718.db2.gz JFOYGPLXYQCACD-UHFFFAOYSA-N 0 3 444.575 5.612 50 0 IKAAHN CCOc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000012372912 520970278 /nfs/dbraw/zinc/97/02/78/520970278.db2.gz JQNPDNZXHDTZPB-UHFFFAOYSA-N 0 3 438.959 5.025 50 0 IKAAHN CCOc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012283691 520978231 /nfs/dbraw/zinc/97/82/31/520978231.db2.gz FPNOSPYCSPYEES-OFNKIYASSA-N 0 3 446.513 5.117 50 0 IKAAHN CCC(=O)N1CCC[C@@H](COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000012126741 521111450 /nfs/dbraw/zinc/11/14/50/521111450.db2.gz KZGAZXQKRLQHEH-AREMUKBSSA-N 0 3 434.624 5.169 50 0 IKAAHN CCCCc1nc2sc3c(c2c(N2CCN(C4CCCCCC4)CC2)n1)CCCC3 ZINC000035892769 521312814 /nfs/dbraw/zinc/31/28/14/521312814.db2.gz IRUWCWFAZFEPPP-UHFFFAOYSA-N 0 3 426.674 5.758 50 0 IKAAHN CCCCc1nc2sc3c(c2c(N2CCN(CCc4ccccc4)CC2)n1)CCCC3 ZINC000035892756 521314593 /nfs/dbraw/zinc/31/45/93/521314593.db2.gz DUPVQVNKIVMVAR-UHFFFAOYSA-N 0 3 434.653 5.277 50 0 IKAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(CSc4ccccc4)o3)cc2C)CC1 ZINC000012537849 521699251 /nfs/dbraw/zinc/69/92/51/521699251.db2.gz RFVGPRPRVFOIDM-UHFFFAOYSA-N 0 3 435.593 5.275 50 0 IKAAHN CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000021167035 521752219 /nfs/dbraw/zinc/75/22/19/521752219.db2.gz ZEJYGEYLBWIWFM-UHFFFAOYSA-N 0 3 432.998 5.471 50 0 IKAAHN CC[C@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532212 522485574 /nfs/dbraw/zinc/48/55/74/522485574.db2.gz BTMYUAQTDYROAJ-FQEVSTJZSA-N 0 3 436.625 5.806 50 0 IKAAHN CC[C@H](O)C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012437573 522781289 /nfs/dbraw/zinc/78/12/89/522781289.db2.gz WFMXTPCOYXNHNJ-DEOSSOPVSA-N 0 3 429.564 5.328 50 0 IKAAHN COCc1ccc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)o1 ZINC000012441104 522971791 /nfs/dbraw/zinc/97/17/91/522971791.db2.gz FPPXPTAGJUQXJI-OAQYLSRUSA-N 0 3 443.547 5.425 50 0 IKAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccccc3OC)C2)cc1 ZINC000012229178 523138785 /nfs/dbraw/zinc/13/87/85/523138785.db2.gz LBCCVJZUKKLESZ-JOCHJYFZSA-N 0 3 430.548 5.222 50 0 IKAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000012747727 523139282 /nfs/dbraw/zinc/13/92/82/523139282.db2.gz IKCBHHRRFCLVAC-OAQYLSRUSA-N 0 3 448.538 5.361 50 0 IKAAHN CCn1cc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c2ccccc21 ZINC000012319149 523368697 /nfs/dbraw/zinc/36/86/97/523368697.db2.gz JYHIFBIPXJENTC-UHFFFAOYSA-N 0 3 445.607 5.331 50 0 IKAAHN CCn1ncc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)c1C ZINC000012443326 523691424 /nfs/dbraw/zinc/69/14/24/523691424.db2.gz LHEGDJZIPNWVEZ-UHFFFAOYSA-N 0 3 441.579 5.210 50 0 IKAAHN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccccc1 ZINC000012457739 523834638 /nfs/dbraw/zinc/83/46/38/523834638.db2.gz NKYQUQZPFSDXLH-SANMLTNESA-N 0 3 446.595 5.170 50 0 IKAAHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(OC)c1OC ZINC000012126283 524029078 /nfs/dbraw/zinc/02/90/78/524029078.db2.gz ZSMYPPSJGIUZBJ-KRWDZBQOSA-N 0 3 441.959 5.136 50 0 IKAAHN Cc1ccc(C)c(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031697 524097464 /nfs/dbraw/zinc/09/74/64/524097464.db2.gz GQJPQRAUFOZQBB-XMMPIXPASA-N 0 3 427.947 5.538 50 0 IKAAHN COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000012602890 524237299 /nfs/dbraw/zinc/23/72/99/524237299.db2.gz LKQUJEYSMGDJAM-DYESRHJHSA-N 0 3 447.966 5.579 50 0 IKAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2csc(C(C)C)n2)CC1 ZINC000012442924 524448033 /nfs/dbraw/zinc/44/80/33/524448033.db2.gz FIWJQBCXZYIUIC-UHFFFAOYSA-N 0 3 443.657 5.286 50 0 IKAAHN Cc1cccc(Cn2cccc2CN(Cc2ccc(C(F)(F)F)cc2)C2CCCCC2)c1 ZINC000035844704 524494282 /nfs/dbraw/zinc/49/42/82/524494282.db2.gz JGPJBMMMMDZUTJ-UHFFFAOYSA-N 0 3 440.553 7.199 50 0 IKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cccc(SC)c3)CC2)c1 ZINC000012194689 525714569 /nfs/dbraw/zinc/71/45/69/525714569.db2.gz ZBHRWMMASQMENU-UHFFFAOYSA-N 0 3 446.616 5.935 50 0 IKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccc(OC)c(C)c3)CC2)c1 ZINC000012432653 525715174 /nfs/dbraw/zinc/71/51/74/525715174.db2.gz TXIJKOXMBIYIJA-UHFFFAOYSA-N 0 3 444.575 5.530 50 0 IKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000012471381 525715851 /nfs/dbraw/zinc/71/58/51/525715851.db2.gz ICYXJDFOXFDGMJ-UHFFFAOYSA-N 0 3 439.559 5.694 50 0 IKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cc4ccccc4o3)CC2)c1 ZINC000012708761 525716524 /nfs/dbraw/zinc/71/65/24/525716524.db2.gz QHTXWXXTKXRTNM-UHFFFAOYSA-N 0 3 440.543 5.959 50 0 IKAAHN Cc1ccc(-n2ncc3c2CCC[C@@H]3NCc2ccc(Oc3ncccn3)cc2)cc1C ZINC000012592393 525932017 /nfs/dbraw/zinc/93/20/17/525932017.db2.gz SOSXFRZVDPDKPE-DEOSSOPVSA-N 0 3 425.536 5.239 50 0 IKAAHN Cc1c2ccccc2[nH]c1CN1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000020915400 525973831 /nfs/dbraw/zinc/97/38/31/525973831.db2.gz GYASSBJGFWPPEE-UHFFFAOYSA-N 0 3 442.567 5.462 50 0 IKAAHN O[C@H](c1ccc2c(c1)CN(C1CCSCC1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000012135169 526299512 /nfs/dbraw/zinc/29/95/12/526299512.db2.gz IQLCDMLCKVKFMB-MUUNZHRXSA-N 0 3 445.628 5.642 50 0 IKAAHN Fc1ccc2c(c1)nc(-c1ccc3c(c1)OCO3)n2C1CCN(Cc2ccsc2)CC1 ZINC000012241619 526374633 /nfs/dbraw/zinc/37/46/33/526374633.db2.gz VDLIDZJWWONKSK-UHFFFAOYSA-N 0 3 435.524 5.470 50 0 IKAAHN c1coc([C@H](CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCCC2)c1 ZINC000022914099 526570363 /nfs/dbraw/zinc/57/03/63/526570363.db2.gz BAPLAPOUQXQROP-VWLOTQADSA-N 0 3 426.564 5.118 50 0 IKAAHN Cn1cc(CN2CCC([C@H](O)c3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012448717 527196918 /nfs/dbraw/zinc/19/69/18/527196918.db2.gz ZUKLGHIMOXCQDH-NDEPHWFRSA-N 0 3 444.623 5.475 50 0 IKAAHN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc(-c3ccco3)c2)CC1 ZINC000012208180 527283296 /nfs/dbraw/zinc/28/32/96/527283296.db2.gz WZBJMHYCYBJBGV-UHFFFAOYSA-N 0 3 440.547 5.161 50 0 IKAAHN O=C(Nc1cccc(CNCc2ccc(N3CCCC3=O)cc2)c1)c1ccccc1Cl ZINC000012820690 527337516 /nfs/dbraw/zinc/33/75/16/527337516.db2.gz NLXJSHBVQSORLL-UHFFFAOYSA-N 0 3 433.939 5.009 50 0 IKAAHN Cc1nn(C(C)C)c(C)c1CN1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000012709694 527590328 /nfs/dbraw/zinc/59/03/28/527590328.db2.gz QYVJNOLAQFWVNH-UHFFFAOYSA-N 0 3 448.586 5.738 50 0 IKAAHN O=C(/C=C/c1ccccc1Cl)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 ZINC000011999226 527635622 /nfs/dbraw/zinc/63/56/22/527635622.db2.gz HIDPNWQKBFECCX-SDNWHVSQSA-N 0 3 438.999 5.409 50 0 IKAAHN O[C@@H](c1ccc2c(c1)CN(C1CCSCC1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000012135171 527667151 /nfs/dbraw/zinc/66/71/51/527667151.db2.gz IQLCDMLCKVKFMB-NDEPHWFRSA-N 0 3 445.628 5.642 50 0 IKAAHN CCN1CCN(c2ccc(N[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)cc2)CC1 ZINC000009367160 535747550 /nfs/dbraw/zinc/74/75/50/535747550.db2.gz FDJXPEHRAHKWLO-HHHXNRCGSA-N 0 3 442.607 5.237 50 0 IKAAHN CCC(=O)c1c(-c2ccc(Cl)cc2)nc2n(CCN3CCCCC3)c3ccccc3n12 ZINC000000971296 555591561 /nfs/dbraw/zinc/59/15/61/555591561.db2.gz HCKQAOPHTXVIKG-UHFFFAOYSA-N 0 3 434.971 5.688 50 0 IKAAHN CC(=O)c1c(-c2cccc3ccccc32)nc2n(CCN3CCCCC3)c3ccccc3n12 ZINC000001195328 555676693 /nfs/dbraw/zinc/67/66/93/555676693.db2.gz TUVGBNZWYRZHOD-UHFFFAOYSA-N 0 3 436.559 5.798 50 0 IKAAHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000002177969 555752805 /nfs/dbraw/zinc/75/28/05/555752805.db2.gz JBNKFMJUNYELGY-GOSISDBHSA-N 0 3 440.381 6.278 50 0 IKAAHN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)n1 ZINC000002414125 555777143 /nfs/dbraw/zinc/77/71/43/555777143.db2.gz XDJRQZMZOUSGSP-KRWDZBQOSA-N 0 3 426.856 5.100 50 0 IKAAHN CC(C)(C)c1cc(C2CCCCC2)cc(CN2CCCCC2)c1OC(=O)c1cccnc1 ZINC000002573105 555788227 /nfs/dbraw/zinc/78/82/27/555788227.db2.gz XRHGUXHBSWPZSE-UHFFFAOYSA-N 0 3 434.624 6.632 50 0 IKAAHN CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671808 555793113 /nfs/dbraw/zinc/79/31/13/555793113.db2.gz DSRVWTDQIQUZFF-JIPXPUAJSA-N 0 3 428.576 5.046 50 0 IKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671812 555793185 /nfs/dbraw/zinc/79/31/85/555793185.db2.gz ACMDUCRFEHHFLQ-KMRXNPHXSA-N 0 3 440.587 5.189 50 0 IKAAHN Cc1ccccc1[C@H]1CN(Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698795 555812348 /nfs/dbraw/zinc/81/23/48/555812348.db2.gz CDIYKANMJTXJDE-SQHAQQRYSA-N 0 3 429.608 5.100 50 0 IKAAHN CC(C)CN(C[C@H]1CN(Cc2ccccn2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000034698985 555812378 /nfs/dbraw/zinc/81/23/78/555812378.db2.gz MTFSYEJGJHCSJB-ZEQKJWHPSA-N 0 3 445.582 5.235 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3ccoc3)C[C@@H]2c2ccccc2)cc1 ZINC000034698958 555812508 /nfs/dbraw/zinc/81/25/08/555812508.db2.gz JCSKEPZSDKRCKX-RRPNLBNLSA-N 0 3 430.592 5.602 50 0 IKAAHN Cc1ccc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034699034 555812737 /nfs/dbraw/zinc/81/27/37/555812737.db2.gz SFWPBGNZGFMNNH-SQHAQQRYSA-N 0 3 448.582 5.741 50 0 IKAAHN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccsc4)CC3)nc2)cc1 ZINC000034681643 555814910 /nfs/dbraw/zinc/81/49/10/555814910.db2.gz QDISKMUVHFEBHJ-UHFFFAOYSA-N 0 3 448.636 5.405 50 0 IKAAHN COc1ccccc1CCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000034682408 555816351 /nfs/dbraw/zinc/81/63/51/555816351.db2.gz QZVHJICZSAZYNA-UHFFFAOYSA-N 0 3 442.603 5.122 50 0 IKAAHN CC(C)c1ccc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)cc1 ZINC000034682651 555816879 /nfs/dbraw/zinc/81/68/79/555816879.db2.gz NPYUQIRPNGRPFB-UHFFFAOYSA-N 0 3 448.557 6.400 50 0 IKAAHN COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)CN(Cc3cccc(F)c3)C2)cc1 ZINC000034711272 555824392 /nfs/dbraw/zinc/82/43/92/555824392.db2.gz GSEIMQAEPFIHEQ-DHIUTWEWSA-N 0 3 432.539 5.387 50 0 IKAAHN Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CN(Cc3cccc(F)c3)C2)c1 ZINC000034711276 555824521 /nfs/dbraw/zinc/82/45/21/555824521.db2.gz ZJSKDGOQOFWAHE-RMUDUWAUSA-N 0 3 430.567 5.617 50 0 IKAAHN COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000002846406 555837640 /nfs/dbraw/zinc/83/76/40/555837640.db2.gz SLZKIGQRKBOICH-UHFFFAOYSA-N 0 3 446.772 5.980 50 0 IKAAHN CN(CC[C@H](Oc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000034728475 555868759 /nfs/dbraw/zinc/86/87/59/555868759.db2.gz MEIDFSKYSGUDDH-NRFANRHFSA-N 0 3 427.903 5.850 50 0 IKAAHN Cc1ccc(C(=O)N2CCCCC2)c(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000034730138 555869689 /nfs/dbraw/zinc/86/96/89/555869689.db2.gz IOABCEZOJWMSBZ-UHFFFAOYSA-N 0 3 445.529 5.415 50 0 IKAAHN Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000034730108 555869712 /nfs/dbraw/zinc/86/97/12/555869712.db2.gz UFDNIFQKAXHHNG-NVQXNPDNSA-N 0 3 449.614 5.704 50 0 IKAAHN Cc1cccc(CN2CCC(c3nc(C)ccc3C(=O)NCc3ccccc3C)CC2)c1 ZINC000034726100 555882040 /nfs/dbraw/zinc/88/20/40/555882040.db2.gz KNVOYUBDFYQFLR-UHFFFAOYSA-N 0 3 427.592 5.316 50 0 IKAAHN Cc1cc(O[C@H](CCN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc(C(C)C)c1 ZINC000034727194 555882441 /nfs/dbraw/zinc/88/24/41/555882441.db2.gz DULFVTWEIMQJEN-GDLZYMKVSA-N 0 3 446.610 6.590 50 0 IKAAHN COc1ccc([C@@H](CCN2CCN(c3ccc(C)c(C)c3)CC2)Oc2ccc(F)cc2)cc1 ZINC000034727513 555882694 /nfs/dbraw/zinc/88/26/94/555882694.db2.gz YHKZPWBWECFHOV-MUUNZHRXSA-N 0 3 448.582 5.784 50 0 IKAAHN Cc1cc(O[C@@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)ccc1C(C)C ZINC000034740084 555883315 /nfs/dbraw/zinc/88/33/15/555883315.db2.gz ZSMRSGNFXFZAHP-LJAQVGFWSA-N 0 3 428.620 6.451 50 0 IKAAHN COc1ccc(C)cc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004702115 556006654 /nfs/dbraw/zinc/00/66/54/556006654.db2.gz XUDXPJNTJPZIBO-UHFFFAOYSA-N 0 3 428.576 5.711 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@@]1(N3CCCCC3)CCCC[C@H]1[C@H]2c1ccccc1 ZINC000008399494 556165378 /nfs/dbraw/zinc/16/53/78/556165378.db2.gz XHZACPFETSQKJX-BTVBQOPISA-N 0 3 439.643 7.694 50 0 IKAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2[nH]1 ZINC000008740299 556206303 /nfs/dbraw/zinc/20/63/03/556206303.db2.gz IYYGDDRCJUCTLJ-XMMPIXPASA-N 0 3 440.572 5.580 50 0 biogenic IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013757807 556301159 /nfs/dbraw/zinc/30/11/59/556301159.db2.gz QDBHHIFPYJLHRN-QHAWAJNXSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000013807052 556311509 /nfs/dbraw/zinc/31/15/09/556311509.db2.gz IRKTWDNRKMSRGK-NXCFDTQHSA-N 0 3 434.495 5.199 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000013811610 556313045 /nfs/dbraw/zinc/31/30/45/556313045.db2.gz DYIUZWZEWWAQJR-GOSISDBHSA-N 0 3 446.414 5.255 50 0 IKAAHN CCC[C@H](NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1)c1ccccc1 ZINC000010436004 556334604 /nfs/dbraw/zinc/33/46/04/556334604.db2.gz IGHYYHXTBZAACW-QHCPKHFHSA-N 0 3 444.402 7.212 50 0 IKAAHN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC2(C=Cc3ccccc32)CC1 ZINC000011661145 556343181 /nfs/dbraw/zinc/34/31/81/556343181.db2.gz IXLWVBMZGGHHEX-UHFFFAOYSA-N 0 3 434.923 5.593 50 0 IKAAHN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cc(C(C)C)[nH]n4)C3)cc2)c1 ZINC000011664567 556345293 /nfs/dbraw/zinc/34/52/93/556345293.db2.gz ZYGZIPWXWYBMPX-OAQYLSRUSA-N 0 3 432.568 5.059 50 0 IKAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc(-c3ccco3)cc2)CC1)c1ccccc1 ZINC000011761156 556349376 /nfs/dbraw/zinc/34/93/76/556349376.db2.gz GSRBQRNTIJGVLX-UHFFFAOYSA-N 0 3 426.520 5.233 50 0 IKAAHN Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000011784042 556352133 /nfs/dbraw/zinc/35/21/33/556352133.db2.gz QUMCBIWMIKGKJX-SANMLTNESA-N 0 3 434.555 5.323 50 0 IKAAHN COc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1 ZINC000011787388 556354206 /nfs/dbraw/zinc/35/42/06/556354206.db2.gz MIZHUZUKUULFCK-UHFFFAOYSA-N 0 3 428.479 6.281 50 0 IKAAHN C[C@H](Cc1ccccc1F)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011844590 556367453 /nfs/dbraw/zinc/36/74/53/556367453.db2.gz WHIGABCMBUZJAH-OAQYLSRUSA-N 0 3 448.586 5.252 50 0 IKAAHN Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000011871395 556368896 /nfs/dbraw/zinc/36/88/96/556368896.db2.gz LPIBFJPCLIHEHW-DEOSSOPVSA-N 0 3 442.563 5.127 50 0 IKAAHN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011935165 556377919 /nfs/dbraw/zinc/37/79/19/556377919.db2.gz AOWDZRRWLIPUML-GOSISDBHSA-N 0 3 438.522 5.294 50 0 IKAAHN COc1ccc2cc(-c3n[nH]cc3CNCc3c[nH]nc3-c3ccc(F)cc3)ccc2c1 ZINC000011936609 556378759 /nfs/dbraw/zinc/37/87/59/556378759.db2.gz MHEGLTXFNWSXME-UHFFFAOYSA-N 0 3 427.483 5.058 50 0 IKAAHN Cn1cc(CN2CCC(C(=O)N3CCCCC3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011944676 556379968 /nfs/dbraw/zinc/37/99/68/556379968.db2.gz UOHPSSUBOXVMFN-UHFFFAOYSA-N 0 3 448.655 5.359 50 0 IKAAHN COc1cccc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c1 ZINC000012429364 556404567 /nfs/dbraw/zinc/40/45/67/556404567.db2.gz JYOWLMKOEFOILH-UHFFFAOYSA-N 0 3 430.548 5.222 50 0 IKAAHN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCC2)cc1 ZINC000032624337 556411143 /nfs/dbraw/zinc/41/11/43/556411143.db2.gz JJRYGBODEKZDIW-VWLOTQADSA-N 0 3 429.564 5.096 50 0 IKAAHN CCc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000032664942 556416720 /nfs/dbraw/zinc/41/67/20/556416720.db2.gz UKULNWJWIMFNLM-OALUTQOASA-N 0 3 445.563 5.188 50 0 IKAAHN c1sc2ccccc2c1CN1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000032853509 556431897 /nfs/dbraw/zinc/43/18/97/556431897.db2.gz BESJPSCGMYPSCX-UHFFFAOYSA-N 0 3 437.572 5.229 50 0 IKAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013001337 556433329 /nfs/dbraw/zinc/43/33/29/556433329.db2.gz ADNYDWVGONNMLT-FQEVSTJZSA-N 0 3 433.766 6.159 50 0 IKAAHN CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3)c1ccccc1 ZINC000013014174 556436600 /nfs/dbraw/zinc/43/66/00/556436600.db2.gz XMZLXZHLHQLRMQ-FQEVSTJZSA-N 0 3 429.593 5.347 50 0 IKAAHN Cc1cc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)ccc1Cl ZINC000028288693 556448607 /nfs/dbraw/zinc/44/86/07/556448607.db2.gz PQXNMIFFVPMSKA-HSZRJFAPSA-N 0 3 429.004 5.278 50 0 IKAAHN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028289691 556449122 /nfs/dbraw/zinc/44/91/22/556449122.db2.gz AXZPTBIHPWCFCN-OAQYLSRUSA-N 0 3 426.988 6.033 50 0 IKAAHN CC(C)c1ccc([C@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 ZINC000028291818 556450344 /nfs/dbraw/zinc/45/03/44/556450344.db2.gz NAJIFLAXIMVGEQ-SANMLTNESA-N 0 3 436.640 5.830 50 0 IKAAHN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)N2CCCC2)cc1 ZINC000028293405 556451029 /nfs/dbraw/zinc/45/10/29/556451029.db2.gz UZHZJJMPHBLGFD-LJAQVGFWSA-N 0 3 449.598 6.031 50 0 IKAAHN COc1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)ccc1O ZINC000014958911 556463542 /nfs/dbraw/zinc/46/35/42/556463542.db2.gz CGKWDGSFHCQUFY-UHFFFAOYSA-N 0 3 430.548 5.227 50 0 IKAAHN C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1CN(C)C)c1cccc2ccccc21 ZINC000014972999 556467335 /nfs/dbraw/zinc/46/73/35/556467335.db2.gz DOMBTVMHHMFAFL-NRFANRHFSA-N 0 3 438.571 5.825 50 0 IKAAHN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000014975340 556468148 /nfs/dbraw/zinc/46/81/48/556468148.db2.gz CRCPLDWGZKMJRD-UHFFFAOYSA-N 0 3 447.583 5.496 50 0 IKAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014989573 556474081 /nfs/dbraw/zinc/47/40/81/556474081.db2.gz IFXRBHRVSFTGNJ-UHFFFAOYSA-N 0 3 442.481 5.129 50 0 IKAAHN Cc1ccsc1C(=O)NC[C@@H](C)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1 ZINC000014999997 556479470 /nfs/dbraw/zinc/47/94/70/556479470.db2.gz MIRIHFBWBVXHFH-OAQYLSRUSA-N 0 3 448.632 5.633 50 0 IKAAHN Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNC(c2ccccc2)c2ccccc2)C(=O)CCC1 ZINC000013138016 556485007 /nfs/dbraw/zinc/48/50/07/556485007.db2.gz COSFDBHTQGGMSC-QHCPKHFHSA-N 0 3 438.571 5.209 50 0 IKAAHN O=C(NC1CCCC1)c1ccc(OC2CCN(CCCC(F)(F)F)CC2)c(Cl)c1 ZINC000015064584 556492079 /nfs/dbraw/zinc/49/20/79/556492079.db2.gz FITGJFWKASFKQR-UHFFFAOYSA-N 0 3 432.914 5.198 50 0 IKAAHN COc1ccc(-c2csc3ncnc(NC[C@H](c4ccc(OC)cc4)N(C)C)c23)cc1 ZINC000015346185 556522656 /nfs/dbraw/zinc/52/26/56/556522656.db2.gz BZXKYCCSISXOKS-OAQYLSRUSA-N 0 3 434.565 5.090 50 0 IKAAHN Fc1ccc(OC2=CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000031490532 556523923 /nfs/dbraw/zinc/52/39/23/556523923.db2.gz SPQMQDVUWOGSQF-UHFFFAOYSA-N 0 3 437.505 6.685 50 0 IKAAHN CCN1CCN(c2ccc(NC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)c(C)c2)CC1 ZINC000032719530 556537674 /nfs/dbraw/zinc/53/76/74/556537674.db2.gz GHHCZWFTQZUXDX-HXUWFJFHSA-N 0 3 431.580 5.041 50 0 IKAAHN COc1ccc(CN(Cc2cccc(O)c2)C2CCC(O)CC2)cc1SC(F)(F)F ZINC000072304897 556549678 /nfs/dbraw/zinc/54/96/78/556549678.db2.gz OGPLLCWLIOADGR-UHFFFAOYSA-N 0 3 441.515 5.318 50 0 IKAAHN O=C(NCCSc1ccccc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000015821678 556553619 /nfs/dbraw/zinc/55/36/19/556553619.db2.gz QQRQIZRGCSQKIM-UHFFFAOYSA-N 0 3 444.644 5.663 50 0 IKAAHN O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000015821761 556553918 /nfs/dbraw/zinc/55/39/18/556553918.db2.gz NYTQTVJQHZMWBJ-UHFFFAOYSA-N 0 3 428.532 5.122 50 0 IKAAHN O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000015859976 556558555 /nfs/dbraw/zinc/55/85/55/556558555.db2.gz VDSYNPTVZZBBJB-LJQANCHMSA-N 0 3 429.973 5.404 50 0 IKAAHN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N([C@@H]1CCc3ccccc3C1)CC2 ZINC000022023204 556577860 /nfs/dbraw/zinc/57/78/60/556577860.db2.gz GCHICBJQVBZXBS-KCWPFWIISA-N 0 3 433.979 5.862 50 0 IKAAHN Nc1c2c(nc3c1CCCCC3)n(Cc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000034847911 556583700 /nfs/dbraw/zinc/58/37/00/556583700.db2.gz OEYZGSCBSDRXBZ-UHFFFAOYSA-N 0 3 443.594 7.270 50 0 IKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)C(C)C ZINC000036304534 556596483 /nfs/dbraw/zinc/59/64/83/556596483.db2.gz OEHOBRWBZZEJCC-RUZDIDTESA-N 0 3 437.584 5.211 50 0 IKAAHN COc1cc(OC)c(CN(CCc2ccccc2)Cc2ccccc2)cc1Br ZINC000016662971 556621285 /nfs/dbraw/zinc/62/12/85/556621285.db2.gz ISSLWXWXLXJSEP-UHFFFAOYSA-N 0 3 440.381 5.711 50 0 IKAAHN C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)[C@@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000042942770 556660066 /nfs/dbraw/zinc/66/00/66/556660066.db2.gz QZPVXHSWRFPXNM-GHTZIAJQSA-N 0 3 436.987 5.304 50 0 IKAAHN O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1CCCN1CCCCC1 ZINC000165358505 556670217 /nfs/dbraw/zinc/67/02/17/556670217.db2.gz ZCMLGDWYMYIXCT-UHFFFAOYSA-N 0 3 445.991 5.357 50 0 IKAAHN Cc1ccc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)o1 ZINC000248231961 556676564 /nfs/dbraw/zinc/67/65/64/556676564.db2.gz LAYZZVWVEAYMPA-IAPPQJPRSA-N 0 3 444.619 5.910 50 0 IKAAHN CC(C)CN(C[C@H]1CN(Cc2ccccn2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248236234 556676817 /nfs/dbraw/zinc/67/68/17/556676817.db2.gz MTFSYEJGJHCSJB-BVAGGSTKSA-N 0 3 445.582 5.235 50 0 IKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccco2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248256725 556677707 /nfs/dbraw/zinc/67/77/07/556677707.db2.gz UZLQUDHJFTYUQQ-OZXSUGGESA-N 0 3 434.555 5.433 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000135632258 556688080 /nfs/dbraw/zinc/68/80/80/556688080.db2.gz GCKILJIWMZTSLR-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000135878875 556688097 /nfs/dbraw/zinc/68/80/97/556688097.db2.gz LQJFIUWHNSEFRA-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1 ZINC000136642520 556690965 /nfs/dbraw/zinc/69/09/65/556690965.db2.gz LIVXGYDERIEEOG-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000136642520 556690968 /nfs/dbraw/zinc/69/09/68/556690968.db2.gz LIVXGYDERIEEOG-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN CCCCCN(CCCCC)CC(=O)Nc1c2ccccc2nc(CCCC)c1CCC ZINC000004601208 556694166 /nfs/dbraw/zinc/69/41/66/556694166.db2.gz BNXZAWFKYHQQKY-UHFFFAOYSA-N 0 3 439.688 7.151 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000138604139 556719579 /nfs/dbraw/zinc/71/95/79/556719579.db2.gz LIVXGYDERIEEOG-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN CN1CCC([C@@H]2Oc3ccc(F)cc3Sc3ccc(SC(F)(F)F)cc32)CC1 ZINC000033885922 556719880 /nfs/dbraw/zinc/71/98/80/556719880.db2.gz HQROLBVCISYESA-IBGZPJMESA-N 0 3 429.504 6.364 50 0 IKAAHN CCn1c2ccccc2c2cc(CN3CCN(Cc4cccc5ccccc54)CC3)ccc21 ZINC000019369760 556747328 /nfs/dbraw/zinc/74/73/28/556747328.db2.gz KQUKXRKJVWAHOF-UHFFFAOYSA-N 0 3 433.599 6.285 50 0 IKAAHN COc1ccc([C@H]2NC[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000083975911 556748626 /nfs/dbraw/zinc/74/86/26/556748626.db2.gz MIBRBZIHVIFGLP-UQBPGWFLSA-N 0 3 444.531 5.027 50 0 IKAAHN COc1ccc([C@H]2NC[C@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000083975914 556748711 /nfs/dbraw/zinc/74/87/11/556748711.db2.gz MIBRBZIHVIFGLP-KBMIEXCESA-N 0 3 444.531 5.027 50 0 IKAAHN Cc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(C(C)C)CC1)O2 ZINC000005297287 556762858 /nfs/dbraw/zinc/76/28/58/556762858.db2.gz DYABFFMLJAJVKY-AREMUKBSSA-N 0 3 425.576 5.892 50 0 IKAAHN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNCCc1ccccc1 ZINC000003245614 556804742 /nfs/dbraw/zinc/80/47/42/556804742.db2.gz KDGPYAIYZVCZEJ-UHFFFAOYSA-N 0 3 442.968 5.016 50 0 IKAAHN CCOc1cc(/C=C/C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1OCc1ccccc1 ZINC000003298419 556811272 /nfs/dbraw/zinc/81/12/72/556811272.db2.gz ITRXRVVYJWRDGF-QQDPUAARSA-N 0 3 444.575 5.097 50 0 IKAAHN CC[C@H](C)N(CCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1cccs1 ZINC000033059884 556816493 /nfs/dbraw/zinc/81/64/93/556816493.db2.gz GJGRDZCTUSDLIW-KRWDZBQOSA-N 0 3 438.622 5.179 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@]1(N3CCCC3)CCCC[C@@H]1[C@@H]2c1ccccc1 ZINC000063603928 556821519 /nfs/dbraw/zinc/82/15/19/556821519.db2.gz ASDJDGGAASGMTI-YLRMPYMZSA-N 0 3 425.616 7.304 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@]1(N3CCCC3)CCCC[C@H]1[C@@H]2c1ccccc1 ZINC000063603932 556821566 /nfs/dbraw/zinc/82/15/66/556821566.db2.gz ASDJDGGAASGMTI-YLGLPMSFSA-N 0 3 425.616 7.304 50 0 IKAAHN C[C@@H]1CCc2sc3ncnc(N4CCN(Cc5cccc6ccccc65)CC4)c3c2C1 ZINC000019682054 556841871 /nfs/dbraw/zinc/84/18/71/556841871.db2.gz SGRGRILEIUCSQH-GOSISDBHSA-N 0 3 428.605 5.292 50 0 IKAAHN Cc1cccc(-c2cc3[nH]c(CN(Cc4ccc(C(C)C)cc4)CC(C)C)cc(=O)n3n2)c1 ZINC000033126323 556866901 /nfs/dbraw/zinc/86/69/01/556866901.db2.gz KIUHWJHKVXYFRP-UHFFFAOYSA-N 0 3 442.607 5.780 50 0 IKAAHN CC1(C)Cc2c3c(ncn4nc(-c5cc6ccccc6cc5[O-])nc34)sc2C(C)(C)[NH2+]1 ZINC000019708506 556869351 /nfs/dbraw/zinc/86/93/51/556869351.db2.gz CAELGYDQNNLYJP-UHFFFAOYSA-N 0 3 429.549 5.024 50 0 IKAAHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004700443 556887193 /nfs/dbraw/zinc/88/71/93/556887193.db2.gz IZEBWUONDPBWSO-UHFFFAOYSA-N 0 3 428.576 5.740 50 0 IKAAHN C[C@@H](Cc1cccc(C(F)(F)F)c1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019853674 556931144 /nfs/dbraw/zinc/93/11/44/556931144.db2.gz SQDNSYOYZJOLIH-HNNXBMFYSA-N 0 3 438.320 7.322 50 0 IKAAHN c1ccc(C(c2ccccc2)N2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000019854704 556931195 /nfs/dbraw/zinc/93/11/95/556931195.db2.gz HLQWNCZYFBXKNE-UHFFFAOYSA-N 0 3 440.616 5.482 50 0 IKAAHN COc1ccc(Br)cc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000019889504 556938882 /nfs/dbraw/zinc/93/88/82/556938882.db2.gz XDTQIHHVOIOJKX-UHFFFAOYSA-N 0 3 443.429 5.302 50 0 IKAAHN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC000019938836 556952958 /nfs/dbraw/zinc/95/29/58/556952958.db2.gz QHHPULXMORCFKV-UHFFFAOYSA-N 0 3 432.461 5.210 50 0 IKAAHN Cc1cccc(CSCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000019952457 556954552 /nfs/dbraw/zinc/95/45/52/556954552.db2.gz JVSLUQILMQTIQA-UHFFFAOYSA-N 0 3 430.617 5.217 50 0 IKAAHN CC[C@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055495 557027420 /nfs/dbraw/zinc/02/74/20/557027420.db2.gz IOUDINSMKGCWNF-IBGZPJMESA-N 0 3 438.015 5.470 50 0 IKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NCCC(C)C)CC2)cc2ccccc21 ZINC000046055794 557027637 /nfs/dbraw/zinc/02/76/37/557027637.db2.gz CERGCWUNEUSCJD-UHFFFAOYSA-N 0 3 431.624 5.372 50 0 IKAAHN CCCCN(C)C(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000046055766 557027785 /nfs/dbraw/zinc/02/77/85/557027785.db2.gz OIYXKNBUMVZBBS-UHFFFAOYSA-N 0 3 431.624 5.469 50 0 IKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NCc3ccco3)CC2)cc2ccccc21 ZINC000046055779 557027812 /nfs/dbraw/zinc/02/78/12/557027812.db2.gz XAPCCVUPDIKQAT-UHFFFAOYSA-N 0 3 441.575 5.119 50 0 IKAAHN Cc1nn(-c2cccc(Cl)c2C)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056531 557028352 /nfs/dbraw/zinc/02/83/52/557028352.db2.gz GEIYOOUWWGTOBX-LJQANCHMSA-N 0 3 429.907 5.604 50 0 IKAAHN CCN1CCC[C@@H]1CN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000022932348 557050516 /nfs/dbraw/zinc/05/05/16/557050516.db2.gz SUMBPUAQPZQJBA-YLJYHZDGSA-N 0 3 439.909 5.113 50 0 IKAAHN Clc1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)c(Cl)c1 ZINC000023469463 557093626 /nfs/dbraw/zinc/09/36/26/557093626.db2.gz UGKLMWWJTGFCLY-UHFFFAOYSA-N 0 3 445.390 5.147 50 0 IKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC000049535960 557110190 /nfs/dbraw/zinc/11/01/90/557110190.db2.gz HPFNSAGBEJFZIN-UHFFFAOYSA-N 0 3 435.999 5.177 50 0 IKAAHN O=C(NC1CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535956 557110229 /nfs/dbraw/zinc/11/02/29/557110229.db2.gz RHWPEOHTPWNJCL-UHFFFAOYSA-N 0 3 429.608 5.351 50 0 IKAAHN O=C(NC1CCCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000049535984 557110413 /nfs/dbraw/zinc/11/04/13/557110413.db2.gz XNYQGNVEXOGVEA-UHFFFAOYSA-N 0 3 433.571 5.100 50 0 IKAAHN CC(C)CCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000049535986 557110445 /nfs/dbraw/zinc/11/04/45/557110445.db2.gz UGFMISPGSSUGCU-UHFFFAOYSA-N 0 3 435.587 5.203 50 0 IKAAHN C[C@](O)(c1ccccc1Cl)[C@H](c1ccc(OCCN2CCCC2)cc1)c1ccccn1 ZINC000095918064 557161288 /nfs/dbraw/zinc/16/12/88/557161288.db2.gz HFTLWXIJZPQFAT-FTJBHMTQSA-N 0 3 436.983 5.249 50 0 IKAAHN Cc1ccc(OC2=CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000095918152 557161772 /nfs/dbraw/zinc/16/17/72/557161772.db2.gz HRBTTZXVGUZBIH-UHFFFAOYSA-N 0 3 433.542 6.854 50 0 IKAAHN Cc1[nH]c2ccccc2c1CN1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000014952473 557168562 /nfs/dbraw/zinc/16/85/62/557168562.db2.gz IYCSIAGWEVFMHF-UHFFFAOYSA-N 0 3 431.580 5.146 50 0 IKAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)o1 ZINC000011614333 557210648 /nfs/dbraw/zinc/21/06/48/557210648.db2.gz SECYWCJGQCAMEA-IBGZPJMESA-N 0 3 448.887 5.707 50 0 IKAAHN COc1cccc([C@@H]2CN[C@@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025480341 557211768 /nfs/dbraw/zinc/21/17/68/557211768.db2.gz YUWKNXAQUIIHLZ-RDPSFJRHSA-N 0 3 430.573 5.732 50 0 IKAAHN CC(C)(C)c1ccc([C@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025719545 557223363 /nfs/dbraw/zinc/22/33/63/557223363.db2.gz JZQOEUZYAMGYPE-PXDATVDWSA-N 0 3 449.425 7.597 50 0 IKAAHN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000101220499 557266166 /nfs/dbraw/zinc/26/61/66/557266166.db2.gz IRKTWDNRKMSRGK-CYXNTTPDSA-N 0 3 434.495 5.199 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101886596 557296216 /nfs/dbraw/zinc/29/62/16/557296216.db2.gz AYMQJCUBXGBAEU-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN C[C@@H](NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccc2ccccc21 ZINC000014185778 557314725 /nfs/dbraw/zinc/31/47/25/557314725.db2.gz UXLOQKRHQLCPRE-GOSISDBHSA-N 0 3 429.589 5.506 50 0 IKAAHN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)C([N+](=O)[O-])[C@H]2C=Cc3ccccc3N21 ZINC000102188460 557314704 /nfs/dbraw/zinc/31/47/04/557314704.db2.gz CYEKNJZMUKWCPH-LWSSLDFYSA-N 0 3 430.891 5.236 50 0 IKAAHN Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1C ZINC000102694036 557364667 /nfs/dbraw/zinc/36/46/67/557364667.db2.gz JTNIFZSWZPIHRK-YTFSRNRJSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C ZINC000102694036 557364672 /nfs/dbraw/zinc/36/46/72/557364672.db2.gz JTNIFZSWZPIHRK-YTFSRNRJSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000102709187 557367665 /nfs/dbraw/zinc/36/76/65/557367665.db2.gz SBXXZWYDZDXGMP-TWJOJJKGSA-N 0 3 434.495 5.199 50 0 IKAAHN O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000102728067 557370676 /nfs/dbraw/zinc/37/06/76/557370676.db2.gz IKXHSWHUXBQRKK-ISJGIBHGSA-N 0 3 438.458 5.030 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102728067 557370678 /nfs/dbraw/zinc/37/06/78/557370678.db2.gz IKXHSWHUXBQRKK-ISJGIBHGSA-N 0 3 438.458 5.030 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102717383 557375286 /nfs/dbraw/zinc/37/52/86/557375286.db2.gz LIEWMCGEEMYSGL-YTFSRNRJSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)c(C)c1 ZINC000102768363 557381254 /nfs/dbraw/zinc/38/12/54/557381254.db2.gz SEPGHCCRPAHPBO-DNVJHFABSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)c(C)c1 ZINC000102768363 557381255 /nfs/dbraw/zinc/38/12/55/557381255.db2.gz SEPGHCCRPAHPBO-DNVJHFABSA-N 0 3 432.907 5.008 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102752127 557383228 /nfs/dbraw/zinc/38/32/28/557383228.db2.gz GCVWRKJCELMRCW-YTQUADARSA-N 0 3 445.327 5.106 50 0 IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@@H]23)CC1 ZINC000247882597 557389319 /nfs/dbraw/zinc/38/93/19/557389319.db2.gz RSUMDFBTCAAZNY-JPZSOZPVSA-N 0 3 443.031 5.085 50 0 IKAAHN Cc1ccc(C)c(CN(CC(=O)N2CCS[C@@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000004893673 557401867 /nfs/dbraw/zinc/40/18/67/557401867.db2.gz SJECTAKCDLDRLH-XMMPIXPASA-N 0 3 431.045 5.689 50 0 IKAAHN C(\c1ccccc1)=C1/CCCC2=C1O[C@]1(N3CCCCC3)CCCC[C@@H]1[C@H]2c1ccccc1 ZINC000103938683 557442789 /nfs/dbraw/zinc/44/27/89/557442789.db2.gz XHZACPFETSQKJX-IHNSOLDKSA-N 0 3 439.643 7.694 50 0 IKAAHN Cc1cc(CN2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)oc1C ZINC000105050489 557474317 /nfs/dbraw/zinc/47/43/17/557474317.db2.gz CPBCGTTWUREHCM-RCZVLFRGSA-N 0 3 428.592 5.392 50 0 IKAAHN O=C(Nc1cccc(CNC[C@@H](c2cccs2)N2CCCC2)c1)c1ccccc1Cl ZINC000024981479 557822251 /nfs/dbraw/zinc/82/22/51/557822251.db2.gz RFLKNHGOPZVHLK-QFIPXVFZSA-N 0 3 440.012 5.581 50 0 IKAAHN COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000000858011 557831626 /nfs/dbraw/zinc/83/16/26/557831626.db2.gz JDURBBIMPRQARK-UHFFFAOYSA-N 0 3 442.559 5.180 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000229978264 557834533 /nfs/dbraw/zinc/83/45/33/557834533.db2.gz VFLVERBIEIQBPN-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN COc1ccc(NC(=O)[C@@H]2CC[C@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1 ZINC000034669827 557848100 /nfs/dbraw/zinc/84/81/00/557848100.db2.gz PYMSULKAMRDHTH-ATIYNZHBSA-N 0 3 430.548 5.296 50 0 IKAAHN COc1ccc2nc(C)cc(Nc3ccc(Oc4ccc5ccccc5c4)c(Cl)c3)c2c1 ZINC000002031301 562925615 /nfs/dbraw/zinc/92/56/15/562925615.db2.gz XMCGZKAHUKOWQN-UHFFFAOYSA-N 0 3 440.930 7.894 50 0 IKAAHN O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCc2ccccc2C1 ZINC000003205707 562932710 /nfs/dbraw/zinc/93/27/10/562932710.db2.gz XIRMZNKBAGVWMK-XMMPIXPASA-N 0 3 442.386 5.519 50 0 IKAAHN CCOc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)CN(CC)CC3)cc1 ZINC000008619119 562959838 /nfs/dbraw/zinc/95/98/38/562959838.db2.gz SSJKNHHNQHOGKG-KRWDZBQOSA-N 0 3 438.597 5.198 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2cc3c(cc2s1)OCO3 ZINC000010066881 562978404 /nfs/dbraw/zinc/97/84/04/562978404.db2.gz VYOFWYYZKFXVFT-UHFFFAOYSA-N 0 3 447.560 5.167 50 0 IKAAHN CCOc1ccc2nc(N(CCN(CC)CC)C(=O)/C=C/c3cccs3)sc2c1 ZINC000010066473 562978423 /nfs/dbraw/zinc/97/84/23/562978423.db2.gz WOWPJVSYYOBQTG-ZRDIBKRKSA-N 0 3 429.611 5.145 50 0 IKAAHN COc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)c1C ZINC000011661974 562978891 /nfs/dbraw/zinc/97/88/91/562978891.db2.gz KHTYYLMIFQDGNX-UHFFFAOYSA-N 0 3 445.563 5.350 50 0 IKAAHN COc1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1OC1CCN(C(C)C)CC1 ZINC000011879565 562979745 /nfs/dbraw/zinc/97/97/45/562979745.db2.gz IYYVUDMDQUPJOJ-XMMPIXPASA-N 0 3 436.596 5.096 50 0 IKAAHN CCOc1ccccc1NC(=O)[C@@H](NCC1(N2CCCCC2)CCCCC1)c1ccccc1 ZINC000039944128 563099290 /nfs/dbraw/zinc/09/92/90/563099290.db2.gz WHJCOBIQSLFYJH-SANMLTNESA-N 0 3 449.639 5.544 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCSc3ccccc32)s1 ZINC000015733604 568815812 /nfs/dbraw/zinc/81/58/12/568815812.db2.gz XOQQTVIUBCNMDN-UHFFFAOYSA-N 0 3 449.645 5.386 50 0 IKAAHN Fc1ccc([C@H](NC2CCN(Cc3ccccc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733628 568815899 /nfs/dbraw/zinc/81/58/99/568815899.db2.gz LBEZSDPDQZDFNO-VWLOTQADSA-N 0 3 442.538 5.219 50 0 IKAAHN Cc1ccc(F)c(CN2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3cccc(F)c3)C2)c1 ZINC000034740460 568824544 /nfs/dbraw/zinc/82/45/44/568824544.db2.gz BFMPFGNAXIQXGE-NOZRDPDXSA-N 0 3 442.594 5.629 50 0 IKAAHN CN(CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000085651186 568831898 /nfs/dbraw/zinc/83/18/98/568831898.db2.gz MXHLYWNNUQSNFY-UHFFFAOYSA-N 0 3 448.954 5.477 50 0 IKAAHN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000015859453 568847604 /nfs/dbraw/zinc/84/76/04/568847604.db2.gz LPDDFTYZRHFDPV-AREMUKBSSA-N 0 3 440.543 6.269 50 0 IKAAHN CC1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000015859368 568847700 /nfs/dbraw/zinc/84/77/00/568847700.db2.gz ZVMQKLDVZLVEQQ-XMMPIXPASA-N 0 3 430.573 6.568 50 0 IKAAHN Cc1cc(C)c(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CCCCC2)c(C)c1 ZINC000575443603 568869635 /nfs/dbraw/zinc/86/96/35/568869635.db2.gz DOSXKMQQEOKMQN-UHFFFAOYSA-N 0 3 428.584 5.061 50 0 IKAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1csc2ccccc12)N(C)C ZINC000575622503 568883142 /nfs/dbraw/zinc/88/31/42/568883142.db2.gz ZGVRXYVCDSVRIN-LJQANCHMSA-N 0 3 439.968 5.551 50 0 IKAAHN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)C2CC(=O)Nc1ccc(Cl)cc1Cl ZINC000090594504 568889345 /nfs/dbraw/zinc/88/93/45/568889345.db2.gz MOTROQYIYFOWDU-QGZVFWFLSA-N 0 3 447.297 5.080 50 0 IKAAHN CN(CCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)Cc1ccccc1 ZINC000064657772 568942368 /nfs/dbraw/zinc/94/23/68/568942368.db2.gz NRLBTNXOHFYHMP-UHFFFAOYSA-N 0 3 437.996 5.271 50 0 IKAAHN Cc1cccc(OCc2nc(CN(CCN3CCCCC3)C(=O)CC(C)C)cs2)c1C ZINC000036116599 568955752 /nfs/dbraw/zinc/95/57/52/568955752.db2.gz VVXQZCVCRKSPAL-UHFFFAOYSA-N 0 3 443.657 5.200 50 0 IKAAHN CCC(=O)N(CCN1CCCCC1)Cc1csc(COc2ccccc2C(C)C)n1 ZINC000036116613 568955795 /nfs/dbraw/zinc/95/57/95/568955795.db2.gz NCNJZQZXTRJOEC-UHFFFAOYSA-N 0 3 429.630 5.070 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1CN(C[C@@H](O)CC)CC1CC1 ZINC000036302638 568993539 /nfs/dbraw/zinc/99/35/39/568993539.db2.gz GWGZVHOSJLTFMG-QFIPXVFZSA-N 0 3 449.595 5.219 50 0 IKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301733 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434.580 5.064 50 0 IKAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CN3CCCC[C@@H]3C)cc21 ZINC000009409344 569531027 /nfs/dbraw/zinc/53/10/27/569531027.db2.gz IKXAZHVMIKPYHS-WMZHIEFXSA-N 0 3 434.580 5.064 50 0 IKAAHN Brc1c(OCCCN2CCCC[C@@H]2c2cccnc2)ccc2ccccc21 ZINC000009410982 569531480 /nfs/dbraw/zinc/53/14/80/569531480.db2.gz DZPPULQLLRCPBO-OAQYLSRUSA-N 0 3 425.370 5.993 50 0 IKAAHN Cc1ccc(CN(C(=O)Nc2cccc(Cl)c2)C2CCN(Cc3ccccc3)CC2)o1 ZINC000009429700 569533745 /nfs/dbraw/zinc/53/37/45/569533745.db2.gz WVIPLGCZNDUHMU-UHFFFAOYSA-N 0 3 437.971 5.940 50 0 IKAAHN COc1ccc(NC(=O)c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000009464969 569537807 /nfs/dbraw/zinc/53/78/07/569537807.db2.gz ZUBNXYQNHYIIDE-DEOSSOPVSA-N 0 3 444.531 5.056 50 0 IKAAHN CN(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C1CCN(C)CC1 ZINC000009510655 569542822 /nfs/dbraw/zinc/54/28/22/569542822.db2.gz LSWWCKPXWTZFMV-UHFFFAOYSA-N 0 3 436.559 5.130 50 0 IKAAHN Cc1ccc2nc3sc(C(=O)NCC4CCN(Cc5ccc(F)cc5)CC4)cc3cc2c1 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KFLIWZASLSTNTD-JXFKEZNVSA-N 0 3 433.577 5.370 50 0 IKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035840695 519652215 /nfs/dbraw/zinc/65/22/15/519652215.db2.gz DSSFUSXNNQFGNJ-LJAQVGFWSA-N 0 3 446.679 6.286 50 0 IKAAHN CC(C)c1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)cc1 ZINC000034682464 519835828 /nfs/dbraw/zinc/83/58/28/519835828.db2.gz MVRWPCJPNSTYJL-UHFFFAOYSA-N 0 3 430.567 6.261 50 0 IKAAHN CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000245310380 520125116 /nfs/dbraw/zinc/12/51/16/520125116.db2.gz IOJSASXMHFMQDT-MRMVSFONSA-N 0 3 434.451 7.353 50 0 IKAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN([C@@H](C)Cc2ccc(C)cn2)CC1 ZINC000012308604 520464453 /nfs/dbraw/zinc/46/44/53/520464453.db2.gz ROBSAKDCDWWCDU-IBGZPJMESA-N 0 3 448.529 5.228 50 0 IKAAHN CCOc1cc(CN[C@H](C)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000022784129 520730195 /nfs/dbraw/zinc/73/01/95/520730195.db2.gz WTLTXOALKRTCNW-GOSISDBHSA-N 0 3 438.955 5.607 50 0 IKAAHN CCOc1cc(CN[C@H](C)c2ccc(Br)cc2)cc(Br)c1OC ZINC000022783618 520730305 /nfs/dbraw/zinc/73/03/05/520730305.db2.gz KVANQRXQWWZWBU-GFCCVEGCSA-N 0 3 443.179 5.470 50 0 IKAAHN CCCn1ncc(CN2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C ZINC000012708214 521672135 /nfs/dbraw/zinc/67/21/35/521672135.db2.gz IZBOKJBNUSMJDY-GOSISDBHSA-N 0 3 436.522 5.251 50 0 IKAAHN CCCn1ncc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1C ZINC000012456734 521672369 /nfs/dbraw/zinc/67/23/69/521672369.db2.gz HCJXCEIZJLXRCL-UHFFFAOYSA-N 0 3 430.596 5.428 50 0 IKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cccc3c2CCCC3)C1 ZINC000020532244 521724563 /nfs/dbraw/zinc/72/45/63/521724563.db2.gz SLJAUZLFBJXQKQ-SFHVURJKSA-N 0 3 448.636 5.678 50 0 IKAAHN CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc(F)cc1F ZINC000012431333 523045667 /nfs/dbraw/zinc/04/56/67/523045667.db2.gz QSEVFXAUNZZTSA-KRWDZBQOSA-N 0 3 440.456 5.010 50 0 IKAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3ccccc3OC)C2)cc1 ZINC000012229182 523140482 /nfs/dbraw/zinc/14/04/82/523140482.db2.gz LBCCVJZUKKLESZ-QFIPXVFZSA-N 0 3 430.548 5.222 50 0 IKAAHN COc1ccc(-c2csc3ncnc(NCCCN4CCc5ccccc5C4)c23)cc1 ZINC000021643178 523172769 /nfs/dbraw/zinc/17/27/69/523172769.db2.gz ZLVGSGSMHPKPNU-UHFFFAOYSA-N 0 3 430.577 5.227 50 0 IKAAHN COc1ccc(C(=O)N(C)CC2CCN(CCc3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000012439664 523599714 /nfs/dbraw/zinc/59/97/14/523599714.db2.gz HGORDSCFLCBZAH-UHFFFAOYSA-N 0 3 448.529 5.049 50 0 IKAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc4ccccc4c3)CC2)c1 ZINC000012707243 523629202 /nfs/dbraw/zinc/62/92/02/523629202.db2.gz JAHBEMKZSOANEC-UHFFFAOYSA-N 0 3 444.575 5.128 50 0 IKAAHN CN1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C3CCCC3)c2=S)CC1 ZINC000022038944 523809100 /nfs/dbraw/zinc/80/91/00/523809100.db2.gz WZXUMOOOZFAVTE-UHFFFAOYSA-N 0 3 427.662 5.089 50 0 IKAAHN CCc1ccc(CN2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)o1 ZINC000020452181 523926107 /nfs/dbraw/zinc/92/61/07/523926107.db2.gz RGONRIVQJILZRH-QFIPXVFZSA-N 0 3 438.575 6.049 50 0 IKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000012884539 524227815 /nfs/dbraw/zinc/22/78/15/524227815.db2.gz BJCHICZXAWGDFL-CREZILFCSA-N 0 3 426.000 5.743 50 0 biogenic IKAAHN Cc1cc(C)c(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cc1C ZINC000012590715 524260051 /nfs/dbraw/zinc/26/00/51/524260051.db2.gz RMMVPSVYWIFOTB-UHFFFAOYSA-N 0 3 446.595 5.053 50 0 IKAAHN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC000020535367 524361315 /nfs/dbraw/zinc/36/13/15/524361315.db2.gz QXSRBWHEBCBVIR-UHFFFAOYSA-N 0 3 432.568 5.105 50 0 IKAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccc(Cl)s2)CC1 ZINC000012385539 524446847 /nfs/dbraw/zinc/44/68/47/524446847.db2.gz DIFCONNLDQIZFG-UHFFFAOYSA-N 0 3 435.033 5.421 50 0 IKAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000012759823 524447243 /nfs/dbraw/zinc/44/72/43/524447243.db2.gz ROADVUIWQGKEFX-UHFFFAOYSA-N 0 3 433.596 5.187 50 0 IKAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)c3cc4cc5cc(C)ccc5nc4s3)C2)cc1 ZINC000021087484 524467762 /nfs/dbraw/zinc/46/77/62/524467762.db2.gz RTZOFWDMIIJJHO-FQEVSTJZSA-N 0 3 429.589 5.318 50 0 IKAAHN Cc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000020876537 524584017 /nfs/dbraw/zinc/58/40/17/524584017.db2.gz AOYAZTAJZFONSO-UHFFFAOYSA-N 0 3 430.773 6.280 50 0 IKAAHN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000012430545 524616847 /nfs/dbraw/zinc/61/68/47/524616847.db2.gz SKVFEBFELOZPBG-SNAWJCMRSA-N 0 3 449.530 5.025 50 0 IKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NC4CCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116297 524766537 /nfs/dbraw/zinc/76/65/37/524766537.db2.gz GNZPFTXAUPDMGU-UHFFFAOYSA-N 0 3 443.635 5.659 50 0 IKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)N4CCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116172 524767778 /nfs/dbraw/zinc/76/77/78/524767778.db2.gz JWUWUMRYLVJRGC-UHFFFAOYSA-N 0 3 429.608 5.223 50 0 IKAAHN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012204998 524986188 /nfs/dbraw/zinc/98/61/88/524986188.db2.gz BFGMYOYQYDELPR-SFHVURJKSA-N 0 3 426.561 5.012 50 0 IKAAHN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000012205008 524987447 /nfs/dbraw/zinc/98/74/47/524987447.db2.gz BFGMYOYQYDELPR-GOSISDBHSA-N 0 3 426.561 5.012 50 0 IKAAHN Cc1cc(N2CCN(Cc3c(C)ccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000020502164 525080299 /nfs/dbraw/zinc/08/02/99/525080299.db2.gz SCIGXRHREHUOQA-UHFFFAOYSA-N 0 3 447.586 5.489 50 0 IKAAHN C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1CN(C)C)c1cccc2ccccc21 ZINC000014972995 525117091 /nfs/dbraw/zinc/11/70/91/525117091.db2.gz DOMBTVMHHMFAFL-OAQYLSRUSA-N 0 3 438.571 5.825 50 0 IKAAHN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc(OC(C)C)cc2)CC1 ZINC000012713700 525256003 /nfs/dbraw/zinc/25/60/03/525256003.db2.gz YTLRIRXJZIYWJZ-UHFFFAOYSA-N 0 3 447.583 5.460 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@@H](c1ccccn1)N1CCCCC1 ZINC000021805726 525430690 /nfs/dbraw/zinc/43/06/90/525430690.db2.gz JDJBYQVLPIPGER-AREMUKBSSA-N 0 3 442.538 5.838 50 0 IKAAHN C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 ZINC000017315058 525547469 /nfs/dbraw/zinc/54/74/69/525547469.db2.gz NAZIUVMMNIGKJD-GOSISDBHSA-N 0 3 447.380 5.607 50 0 IKAAHN C[C@@H](NCc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000012648105 525548300 /nfs/dbraw/zinc/54/83/00/525548300.db2.gz BRVSVTFBRMTSJV-LJQANCHMSA-N 0 3 425.561 5.637 50 0 IKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cc(C)c(O)c(C)c3)CC2)c1 ZINC000012469626 525715319 /nfs/dbraw/zinc/71/53/19/525715319.db2.gz NXAOJUNBYQDJNS-UHFFFAOYSA-N 0 3 444.575 5.535 50 0 IKAAHN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCC(OCc3ccccn3)CC2)o1 ZINC000012308603 525839323 /nfs/dbraw/zinc/83/93/23/525839323.db2.gz USGIOTPROWJINU-UHFFFAOYSA-N 0 3 446.526 5.156 50 0 IKAAHN COc1cccc(CN(Cc2cccn2Cc2cccc(C(F)(F)F)c2)[C@@H](C)C(C)C)c1 ZINC000035841210 525923247 /nfs/dbraw/zinc/92/32/47/525923247.db2.gz MXHQNWXDWUEBBQ-FQEVSTJZSA-N 0 3 444.541 6.611 50 0 IKAAHN COc1cccc(CN(Cc2cccn2Cc2cccc(OC)c2)CC2CCCCC2)c1 ZINC000035841147 525924678 /nfs/dbraw/zinc/92/46/78/525924678.db2.gz SNLOUIJQXCXQLR-UHFFFAOYSA-N 0 3 432.608 6.136 50 0 IKAAHN Fc1ccc(Cn2cccc2CN(Cc2cccc(C(F)(F)F)c2)C2CCCCC2)cc1 ZINC000035843736 526347489 /nfs/dbraw/zinc/34/74/89/526347489.db2.gz LHRVYIPWLLZBAL-UHFFFAOYSA-N 0 3 444.516 7.029 50 0 IKAAHN Fc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022035656 526362469 /nfs/dbraw/zinc/36/24/69/526362469.db2.gz PTXQKQPOIKEGBV-MUUNZHRXSA-N 0 3 427.567 5.647 50 0 biogenic IKAAHN Oc1ccccc1C1=NC2(CCN(Cc3ccccc3)CC2)N[C@@H](c2ccccc2F)C1 ZINC000015830566 526370574 /nfs/dbraw/zinc/37/05/74/526370574.db2.gz LQDWAUZCWBQYCN-XMMPIXPASA-N 0 3 429.539 5.047 50 0 IKAAHN c1ccc(C(c2ccccc2)N2CC3(C2)CN(C(c2ccccc2)c2ccccc2)C3)cc1 ZINC000035061630 526460736 /nfs/dbraw/zinc/46/07/36/526460736.db2.gz UPVDPYLKLAKPQM-UHFFFAOYSA-N 0 3 430.595 6.183 50 0 IKAAHN Cc1n[nH]c(C)c1CCN(C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000020780228 526493312 /nfs/dbraw/zinc/49/33/12/526493312.db2.gz NVULBQUATBINSR-UHFFFAOYSA-N 0 3 435.522 5.140 50 0 IKAAHN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC([C@@H](C)N2CCOCC2)CC1 ZINC000012478985 526728118 /nfs/dbraw/zinc/72/81/18/526728118.db2.gz CXMSCLBRCASJEM-OAQYLSRUSA-N 0 3 445.607 5.250 50 0 IKAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000021781523 526728201 /nfs/dbraw/zinc/72/82/01/526728201.db2.gz BRMJSFKJTINTAC-UHFFFAOYSA-N 0 3 449.620 5.466 50 0 IKAAHN Clc1ccc(-c2nnc([C@H](c3ccccc3)N3CCN(C4CCCCC4)CC3)o2)cc1 ZINC000021538426 526935722 /nfs/dbraw/zinc/93/57/22/526935722.db2.gz XZNIKDSLBZZBCX-QHCPKHFHSA-N 0 3 436.987 5.430 50 0 IKAAHN Clc1ccccc1-c1nnc([C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)o1 ZINC000020509640 526985114 /nfs/dbraw/zinc/98/51/14/526985114.db2.gz JGGSAHQQBXHQDS-HSZRJFAPSA-N 0 3 436.987 5.430 50 0 IKAAHN Clc1ccccc1-c1nnc([C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)o1 ZINC000020509637 526986167 /nfs/dbraw/zinc/98/61/67/526986167.db2.gz JGGSAHQQBXHQDS-QHCPKHFHSA-N 0 3 436.987 5.430 50 0 IKAAHN Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000020536951 527087333 /nfs/dbraw/zinc/08/73/33/527087333.db2.gz MORLFUIGVHAFLJ-QFIPXVFZSA-N 0 3 429.593 5.035 50 0 IKAAHN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000012453992 527141750 /nfs/dbraw/zinc/14/17/50/527141750.db2.gz BPIIYZAAQIKUKM-UHFFFAOYSA-N 0 3 429.495 5.485 50 0 IKAAHN O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)NCCN1CCCCC1 ZINC000035888563 527150184 /nfs/dbraw/zinc/15/01/84/527150184.db2.gz FIMGDYRTNWCLBP-NRFANRHFSA-N 0 3 443.513 5.311 50 0 IKAAHN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cc3ccccc3s2)CC1 ZINC000012593113 527283201 /nfs/dbraw/zinc/28/32/01/527283201.db2.gz KXMXGJVRLQECMO-UHFFFAOYSA-N 0 3 430.577 5.116 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000009636616 527531286 /nfs/dbraw/zinc/53/12/86/527531286.db2.gz AQVXERYWGNISDG-UHFFFAOYSA-N 0 3 433.983 5.161 50 0 IKAAHN Cc1nn(C(C)C)c(C)c1CN1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000012711637 527590581 /nfs/dbraw/zinc/59/05/81/527590581.db2.gz WJVVWTZEFVJZHL-UHFFFAOYSA-N 0 3 444.623 5.907 50 0 IKAAHN O[C@@H](CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 ZINC000020876507 527653507 /nfs/dbraw/zinc/65/35/07/527653507.db2.gz UTCIBSBILDZYNI-NRFANRHFSA-N 0 3 446.772 5.505 50 0 IKAAHN CCN1CCN(c2ccc(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)cc2)CC1 ZINC000009086451 535748392 /nfs/dbraw/zinc/74/83/92/535748392.db2.gz RVDIICAZLDXDAR-UHFFFAOYSA-N 0 3 443.982 5.836 50 0 IKAAHN COc1ccc(-c2csc(N3CCN(c4cc(C)nc5ccccc54)CC3)n2)cc1OC ZINC000008892185 536498644 /nfs/dbraw/zinc/49/86/44/536498644.db2.gz ZXKOMYIPTDBCFK-UHFFFAOYSA-N 0 3 446.576 5.011 50 0 IKAAHN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)n1 ZINC000002414126 555777130 /nfs/dbraw/zinc/77/71/30/555777130.db2.gz XDJRQZMZOUSGSP-QGZVFWFLSA-N 0 3 426.856 5.100 50 0 IKAAHN Cc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)NCc3cccc(F)c3)cc2)s1 ZINC000034670168 555792786 /nfs/dbraw/zinc/79/27/86/555792786.db2.gz FAUCTXMAPQGZMA-UHFFFAOYSA-N 0 3 438.612 6.174 50 0 IKAAHN CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671680 555793059 /nfs/dbraw/zinc/79/30/59/555793059.db2.gz HMYDGHQJZPGQCZ-NSOVKSMOSA-N 0 3 442.603 5.436 50 0 IKAAHN CCN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2 ZINC000034671564 555793161 /nfs/dbraw/zinc/79/31/61/555793161.db2.gz ROOMXRGYCUNMFW-ZBLYBZFDSA-N 0 3 428.576 5.080 50 0 IKAAHN Cc1cccc(CN2CCc3ccc(OCC(=O)NC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000034671862 555793451 /nfs/dbraw/zinc/79/34/51/555793451.db2.gz JLKVSOOTEBSARA-NDEPHWFRSA-N 0 3 428.576 5.046 50 0 IKAAHN Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CCN(Cc3cccs3)CC2)n1 ZINC000034675593 555794161 /nfs/dbraw/zinc/79/41/61/555794161.db2.gz PLEADNZMLIIDGH-UHFFFAOYSA-N 0 3 431.605 5.030 50 0 IKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2OC)cc1 ZINC000002752870 555810689 /nfs/dbraw/zinc/81/06/89/555810689.db2.gz HCAYRYMSLOJJLD-UHFFFAOYSA-N 0 3 449.547 5.076 50 0 IKAAHN Cc1ccc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)o1 ZINC000034698955 555812410 /nfs/dbraw/zinc/81/24/10/555812410.db2.gz LAYZZVWVEAYMPA-IXCJQBJRSA-N 0 3 444.619 5.910 50 0 IKAAHN Cc1ccccc1[C@H]1CN(Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698785 555812569 /nfs/dbraw/zinc/81/25/69/555812569.db2.gz ZWCOCJLHTMXBGQ-VPUSJEBWSA-N 0 3 444.594 5.901 50 0 IKAAHN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4F)cn3)CC2)cc1 ZINC000034681726 555815360 /nfs/dbraw/zinc/81/53/60/555815360.db2.gz GMJXBBIILJGXRC-UHFFFAOYSA-N 0 3 446.570 5.309 50 0 IKAAHN CC(C)c1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)cc1 ZINC000034682635 555816766 /nfs/dbraw/zinc/81/67/66/555816766.db2.gz ZSDRYIQPIKCAMX-UHFFFAOYSA-N 0 3 430.567 6.261 50 0 IKAAHN COc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034682782 555817136 /nfs/dbraw/zinc/81/71/36/555817136.db2.gz NLSAUOJYDPCFFX-UHFFFAOYSA-N 0 3 448.529 5.758 50 0 IKAAHN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3cccs3)CC2)c1 ZINC000034682705 555817172 /nfs/dbraw/zinc/81/71/72/555817172.db2.gz DKYLMTQKQOOBMP-UHFFFAOYSA-N 0 3 440.996 5.722 50 0 IKAAHN Cc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034683030 555818100 /nfs/dbraw/zinc/81/81/00/555818100.db2.gz KVZUCUAJPTYXFN-UHFFFAOYSA-N 0 3 426.604 6.430 50 0 IKAAHN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683613 555819147 /nfs/dbraw/zinc/81/91/47/555819147.db2.gz CMJPEHBBICHYJI-UHFFFAOYSA-N 0 3 442.603 5.932 50 0 IKAAHN Cc1cccc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)CN(Cc3ccccc3F)C2)c1 ZINC000034711419 555824415 /nfs/dbraw/zinc/82/44/15/555824415.db2.gz YBHSIBMBIOMRIC-ZEQRLZLVSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1cccc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)CN(Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711393 555824481 /nfs/dbraw/zinc/82/44/81/555824481.db2.gz PBRQTRFVQCMQAC-RPWUZVMVSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1cccc(CNC(=O)[C@H]2C[C@H](c3ccccc3)CN(Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711391 555824556 /nfs/dbraw/zinc/82/45/56/555824556.db2.gz PBRQTRFVQCMQAC-ZEQRLZLVSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1cccc(C(=O)N(C[C@H]2CN(Cc3ccco3)C[C@@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000034699193 555830959 /nfs/dbraw/zinc/83/09/59/555830959.db2.gz PVTGCPAMFRJUOW-ATIYNZHBSA-N 0 3 432.539 5.248 50 0 IKAAHN CCCCOc1c(I)cc(CNCc2ccccc2)cc1OCC ZINC000002863709 555846446 /nfs/dbraw/zinc/84/64/46/555846446.db2.gz NLIDTFDKMZUKCO-UHFFFAOYSA-N 0 3 439.337 5.159 50 0 IKAAHN Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000034730185 555869751 /nfs/dbraw/zinc/86/97/51/555869751.db2.gz CLUQLUZWLCPBHW-UHFFFAOYSA-N 0 3 443.566 5.107 50 0 IKAAHN COc1ccc([C@H](CCN2CCN(c3ccc(C)c(C)c3)CC2)Oc2ccc(F)cc2)cc1 ZINC000034727509 555882658 /nfs/dbraw/zinc/88/26/58/555882658.db2.gz YHKZPWBWECFHOV-NDEPHWFRSA-N 0 3 448.582 5.784 50 0 IKAAHN O=C(NCc1ccccc1F)[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739929 555882930 /nfs/dbraw/zinc/88/29/30/555882930.db2.gz JLVMWHNVEXFVBI-RCZVLFRGSA-N 0 3 436.958 5.749 50 0 IKAAHN Fc1ccc2[nH]cc(CCCN3CCN(c4nc5cc(Cl)ccc5s4)CC3)c2c1 ZINC000004481187 555996991 /nfs/dbraw/zinc/99/69/91/555996991.db2.gz DACUYKOISPDSHY-UHFFFAOYSA-N 0 3 428.964 5.325 50 0 IKAAHN CCCCCCOc1cccc(NC(=O)OC(CN2CCCCC2)CN2CCCCC2)c1 ZINC000004577995 556002653 /nfs/dbraw/zinc/00/26/53/556002653.db2.gz BEKLEORFGKMQCI-UHFFFAOYSA-N 0 3 445.648 5.535 50 0 IKAAHN O=C([C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)N1CCc2ccccc2C1 ZINC000005650094 556061741 /nfs/dbraw/zinc/06/17/41/556061741.db2.gz BFSXUYWOVSCLNN-RUZDIDTESA-N 0 3 426.560 5.276 50 0 IKAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(CCCN(C)C)C3=O ZINC000002704259 556123627 /nfs/dbraw/zinc/12/36/27/556123627.db2.gz HSYMGPNDNYBEEU-DEOSSOPVSA-N 0 3 432.564 5.030 50 0 IKAAHN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1cccc2ccccc21 ZINC000002768371 556139834 /nfs/dbraw/zinc/13/98/34/556139834.db2.gz CZQIHYHPNTUNNC-UHFFFAOYSA-N 0 3 439.555 6.212 50 0 IKAAHN CC(C)(C)c1ccc([C@@H](N2CCCCC2)[P@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000008306330 556156404 /nfs/dbraw/zinc/15/64/04/556156404.db2.gz NGUXLPQALAJFEY-SUYBVONHSA-N 0 3 438.596 6.558 50 0 IKAAHN COc1ccc(OCc2cccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c2)cc1 ZINC000008684277 556199559 /nfs/dbraw/zinc/19/95/59/556199559.db2.gz BLOGWUGUDOCQQS-UHFFFAOYSA-N 0 3 430.548 5.512 50 0 IKAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1CSc1nc2ccccc2[nH]1 ZINC000008740300 556206272 /nfs/dbraw/zinc/20/62/72/556206272.db2.gz IYYGDDRCJUCTLJ-DEOSSOPVSA-N 0 3 440.572 5.580 50 0 biogenic IKAAHN O=C(Nc1ccccc1)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000008744676 556208430 /nfs/dbraw/zinc/20/84/30/556208430.db2.gz HSAZDWKGMDRBTM-UHFFFAOYSA-N 0 3 436.559 5.390 50 0 IKAAHN COc1ccc2nc(C)cc(Nc3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)c2c1 ZINC000008926215 556233981 /nfs/dbraw/zinc/23/39/81/556233981.db2.gz NUGRITYIZUXWRQ-UHFFFAOYSA-N 0 3 425.315 7.395 50 0 IKAAHN O=C(NCc1ccccc1Cl)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000009425618 556289993 /nfs/dbraw/zinc/28/99/93/556289993.db2.gz SIXWJIMRFKBSCU-UHFFFAOYSA-N 0 3 448.994 5.447 50 0 IKAAHN c1c(CN[C@H](Cc2ccccc2)c2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000032740426 556300354 /nfs/dbraw/zinc/30/03/54/556300354.db2.gz NBVZMKCIRQMPLU-MUUNZHRXSA-N 0 3 430.555 6.008 50 0 IKAAHN COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN(C)C)cc1Br ZINC000013810010 556311535 /nfs/dbraw/zinc/31/15/35/556311535.db2.gz BDFUGVFIPSGWIV-LNVKXUELSA-N 0 3 446.414 5.172 50 0 IKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000009892173 556315291 /nfs/dbraw/zinc/31/52/91/556315291.db2.gz MMNQZSVIGOREMH-UHFFFAOYSA-N 0 3 439.353 5.947 50 0 IKAAHN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000013895333 556328930 /nfs/dbraw/zinc/32/89/30/556328930.db2.gz ZYENNWBEMPIUKD-UHFFFAOYSA-N 0 3 442.603 5.526 50 0 IKAAHN CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000229875873 556337985 /nfs/dbraw/zinc/33/79/85/556337985.db2.gz GYOAHBGWMYFOGR-MSOLQXFVSA-N 0 3 434.750 6.435 50 0 IKAAHN COc1cc(/C=C/CN2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1O ZINC000011701148 556347271 /nfs/dbraw/zinc/34/72/71/556347271.db2.gz WNITYRNEBMGHGR-RHRNASEZSA-N 0 3 432.520 5.025 50 0 IKAAHN O=C1CC[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000011788944 556354609 /nfs/dbraw/zinc/35/46/09/556354609.db2.gz KDGXQRSCUAUXED-NQIIRXRSSA-N 0 3 436.905 5.372 50 0 IKAAHN Cc1oc(-c2cccs2)nc1CN(C)CC1CCN(CCc2cccc(F)c2)CC1 ZINC000011817036 556359508 /nfs/dbraw/zinc/35/95/08/556359508.db2.gz VZPYMAANXRKUPN-UHFFFAOYSA-N 0 3 427.589 5.237 50 0 IKAAHN Cc1cc(C)n(-c2cccc(CN3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000011817910 556359929 /nfs/dbraw/zinc/35/99/29/556359929.db2.gz RMTLLXIHIDOLOB-OAQYLSRUSA-N 0 3 434.559 5.259 50 0 IKAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN([C@H](C)Cc2ncccc2C)CC1 ZINC000011820578 556362408 /nfs/dbraw/zinc/36/24/08/556362408.db2.gz HXNNJYIRDXLYIB-LJQANCHMSA-N 0 3 448.529 5.228 50 0 IKAAHN Cc1cccc(-c2nc3c(C)cccc3cc2CN(CCN(C)C)C(=O)c2cccs2)c1 ZINC000011839327 556364286 /nfs/dbraw/zinc/36/42/86/556364286.db2.gz SKVVWWNKNPSTKU-UHFFFAOYSA-N 0 3 443.616 5.784 50 0 IKAAHN C[C@@H](Cc1ccccc1F)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000011844589 556367599 /nfs/dbraw/zinc/36/75/99/556367599.db2.gz WHIGABCMBUZJAH-NRFANRHFSA-N 0 3 448.586 5.252 50 0 IKAAHN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCCCC3)no2)cc1 ZINC000011905302 556374006 /nfs/dbraw/zinc/37/40/06/556374006.db2.gz YLKPSNXYNWOSSH-XMMPIXPASA-N 0 3 433.552 5.006 50 0 IKAAHN COc1ccc(-n2cc(CNCc3ccc4c(c3)OCO4)c(-c3ccccc3Cl)n2)cc1 ZINC000011934178 556377470 /nfs/dbraw/zinc/37/74/70/556377470.db2.gz FNCOZKXSQXZVSL-UHFFFAOYSA-N 0 3 447.922 5.220 50 0 IKAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)C1(c2ccccc2)CC1 ZINC000011934062 556377618 /nfs/dbraw/zinc/37/76/18/556377618.db2.gz PEUFCDQDPKIALN-UHFFFAOYSA-N 0 3 444.541 5.150 50 0 IKAAHN Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011935164 556378008 /nfs/dbraw/zinc/37/80/08/556378008.db2.gz AOWDZRRWLIPUML-SFHVURJKSA-N 0 3 438.522 5.294 50 0 IKAAHN O=C(c1nc2ccc(Cl)cn2c1CNCCCc1ccccc1)N1CCCCCCC1 ZINC000011936433 556378776 /nfs/dbraw/zinc/37/87/76/556378776.db2.gz ACAGDZXOIGXAID-UHFFFAOYSA-N 0 3 439.003 5.116 50 0 IKAAHN CCCCc1ncc(CN2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)[nH]1 ZINC000011936745 556379135 /nfs/dbraw/zinc/37/91/35/556379135.db2.gz AJRCDANKWRYMHK-NRFANRHFSA-N 0 3 446.595 5.279 50 0 IKAAHN C/C(=C\c1ccccc1)CN1CCC2(C[C@@H]2C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000011965603 556381818 /nfs/dbraw/zinc/38/18/18/556381818.db2.gz RZARQIUOSSTGJD-QYAIIROKSA-N 0 3 442.525 5.527 50 0 IKAAHN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCC2)cc1 ZINC000032624335 556411233 /nfs/dbraw/zinc/41/12/33/556411233.db2.gz JJRYGBODEKZDIW-RUZDIDTESA-N 0 3 429.564 5.096 50 0 IKAAHN c1csc([C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)N2CCCC2)c1 ZINC000013030162 556442263 /nfs/dbraw/zinc/44/22/63/556442263.db2.gz ATOZNYIIEKJYJU-GOSISDBHSA-N 0 3 447.633 5.553 50 0 IKAAHN O=C(c1ccc(Cl)cc1)[C@H]1CN(C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000013041488 556447576 /nfs/dbraw/zinc/44/75/76/556447576.db2.gz CPVHOEXRGVOAQJ-ISKFKSNPSA-N 0 3 432.391 5.719 50 0 IKAAHN CCOc1cccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1 ZINC000014969765 556466825 /nfs/dbraw/zinc/46/68/25/556466825.db2.gz ARMILWZHLIXWIZ-UHFFFAOYSA-N 0 3 446.595 5.080 50 0 IKAAHN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000029096833 556467411 /nfs/dbraw/zinc/46/74/11/556467411.db2.gz HEMUJINVEQLEOY-UHFFFAOYSA-N 0 3 446.639 5.134 50 0 IKAAHN CCOc1ccccc1CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000014975355 556468482 /nfs/dbraw/zinc/46/84/82/556468482.db2.gz PYAGFKMGWYLZGD-UHFFFAOYSA-N 0 3 438.959 5.025 50 0 IKAAHN CN(Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000014993393 556476211 /nfs/dbraw/zinc/47/62/11/556476211.db2.gz HTTSLYOTUZRYJU-QHCPKHFHSA-N 0 3 449.620 5.239 50 0 IKAAHN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccc(C)s2)CC1 ZINC000015065483 556492478 /nfs/dbraw/zinc/49/24/78/556492478.db2.gz UQTHFBIBUZYQNO-UHFFFAOYSA-N 0 3 425.516 5.463 50 0 IKAAHN CC(C)Oc1ccc(CN2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cc1 ZINC000015065646 556492788 /nfs/dbraw/zinc/49/27/88/556492788.db2.gz KPIQWEUOUJHSOV-UHFFFAOYSA-N 0 3 446.595 5.079 50 0 IKAAHN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2cc3ccccc3s2)C1 ZINC000015067034 556493305 /nfs/dbraw/zinc/49/33/05/556493305.db2.gz XTDADCYKYIVXOD-HXUWFJFHSA-N 0 3 434.634 5.702 50 0 IKAAHN CCc1ccccc1NC(=O)c1c(NC(=O)CNCC(C)C)sc2c1CCCCC2 ZINC000004554291 556502915 /nfs/dbraw/zinc/50/29/15/556502915.db2.gz MGTXUQRHQGOKAU-UHFFFAOYSA-N 0 3 427.614 5.016 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013513205 556510842 /nfs/dbraw/zinc/51/08/42/556510842.db2.gz LIVXGYDERIEEOG-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)C1(O)c1ccc(F)cc1 ZINC000013553042 556515404 /nfs/dbraw/zinc/51/54/04/556515404.db2.gz CRQSSISIXUBQTB-KQACMCHDSA-N 0 3 444.377 6.678 50 0 IKAAHN Cc1ccsc1CN1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000015856041 556557660 /nfs/dbraw/zinc/55/76/60/556557660.db2.gz WUTCSTWIYWBVJR-UHFFFAOYSA-N 0 3 432.633 5.540 50 0 IKAAHN COc1cc(CNCCc2nnc(-c3ccccc3)o2)ccc1OCc1ccc(Cl)cc1 ZINC000072310926 556577006 /nfs/dbraw/zinc/57/70/06/556577006.db2.gz HSWLZQPEEMIEFE-UHFFFAOYSA-N 0 3 449.938 5.310 50 0 IKAAHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1Cl ZINC000016214753 556591627 /nfs/dbraw/zinc/59/16/27/556591627.db2.gz MXESDQSWDDGTOE-UHFFFAOYSA-N 0 3 429.875 5.085 50 0 IKAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)(C)C)cc1)N(CCCN(C)C)C3=O ZINC000016346283 556601403 /nfs/dbraw/zinc/60/14/03/556601403.db2.gz DXWNQOMLMPJXFW-DEOSSOPVSA-N 0 3 446.591 5.204 50 0 IKAAHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000032983807 556602597 /nfs/dbraw/zinc/60/25/97/556602597.db2.gz NQLUWRSAOAOTAO-IBGZPJMESA-N 0 3 427.907 5.009 50 0 IKAAHN O=C(NCCSCc1ccco1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000016478897 556611169 /nfs/dbraw/zinc/61/11/69/556611169.db2.gz MZNQFTHPVRPGFD-UHFFFAOYSA-N 0 3 448.632 5.398 50 0 IKAAHN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000037572172 556643253 /nfs/dbraw/zinc/64/32/53/556643253.db2.gz UNBKNFVTWMZUFL-UHFFFAOYSA-N 0 3 428.576 5.623 50 0 IKAAHN O=C(c1ccccc1)N(C[C@@H]1CN(Cc2ccc[nH]2)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000247961769 556650720 /nfs/dbraw/zinc/65/07/20/556650720.db2.gz XTXXUZNVFNJAAJ-LSYYVWMOSA-N 0 3 441.619 5.705 50 0 IKAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1O ZINC000042995763 556660682 /nfs/dbraw/zinc/66/06/82/556660682.db2.gz GOSLXGGIPJMYSR-QGZVFWFLSA-N 0 3 431.458 5.189 50 0 IKAAHN COc1ccccc1[C@H]1CN(Cc2cc(C)c(C)o2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000248260198 556677630 /nfs/dbraw/zinc/67/76/30/556677630.db2.gz VUAJCQXHVVSRPJ-DHLKQENFSA-N 0 3 440.628 5.261 50 0 IKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N[C@H]5CCCC[C@H]5C)C4=O)cc3)sc2c1 ZINC000248329894 556680219 /nfs/dbraw/zinc/68/02/19/556680219.db2.gz DVJSWUYRKLDTMP-PBEJRMEISA-N 0 3 433.577 5.072 50 0 IKAAHN CCCCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000018068506 556682838 /nfs/dbraw/zinc/68/28/38/556682838.db2.gz QNXQIEXQGLIJBX-NJYVYQBISA-N 0 3 447.362 5.642 50 0 IKAAHN CC(C)P(=O)(C(C)C)[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCCCC1 ZINC000005165977 556699414 /nfs/dbraw/zinc/69/94/14/556699414.db2.gz NVWDVNBEKPSUGV-DEOSSOPVSA-N 0 3 435.633 7.652 50 0 IKAAHN CC(C)P(=O)(C(C)C)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N1CCCCC1 ZINC000005170443 556719537 /nfs/dbraw/zinc/71/95/37/556719537.db2.gz NVWDVNBEKPSUGV-XMMPIXPASA-N 0 3 435.633 7.652 50 0 IKAAHN O[C@H]1CCCc2c3cc(Cl)ccc3n(CCN(Cc3ccccc3)Cc3ccccc3)c21 ZINC000057049732 556746726 /nfs/dbraw/zinc/74/67/26/556746726.db2.gz WJQLGSFNVVNNMH-MHZLTWQESA-N 0 3 445.006 6.367 50 0 IKAAHN CC(C)COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000057254370 556746948 /nfs/dbraw/zinc/74/69/48/556746948.db2.gz AXITVENABWJYBZ-UHFFFAOYSA-N 0 3 443.591 5.296 50 0 IKAAHN Cc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(C)n1C1CC1 ZINC000058161229 556764999 /nfs/dbraw/zinc/76/49/99/556764999.db2.gz DRXYSIQPWPOXKD-UHFFFAOYSA-N 0 3 428.580 5.014 50 0 IKAAHN CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058268050 556776634 /nfs/dbraw/zinc/77/66/34/556776634.db2.gz TVXJLUHLHGEDOK-HXUWFJFHSA-N 0 3 433.518 5.021 50 0 IKAAHN C(\c1ccccc1)=C1\CCC[C@@H]2[C@@H](c3ccccc3)C3=C(CCCC3)O[C@]12N1CCCC1 ZINC000059606948 556803071 /nfs/dbraw/zinc/80/30/71/556803071.db2.gz IJXXRBRQXUPTCZ-QGZLLXAOSA-N 0 3 425.616 7.304 50 0 IKAAHN CCOc1cc(/C=C/C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1OCc1ccccc1 ZINC000003298416 556811282 /nfs/dbraw/zinc/81/12/82/556811282.db2.gz ITRXRVVYJWRDGF-LEJURUINSA-N 0 3 444.575 5.097 50 0 IKAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000005477817 556815697 /nfs/dbraw/zinc/81/56/97/556815697.db2.gz JEJYEGWHAPNYEN-NRFANRHFSA-N 0 3 425.960 5.094 50 0 IKAAHN Cc1ccc(CN2CCC(CNC(=O)c3sc4ncccc4c3-n3cccc3)CC2)cc1 ZINC000033059854 556816430 /nfs/dbraw/zinc/81/64/30/556816430.db2.gz DADRVCQYWFMLND-UHFFFAOYSA-N 0 3 444.604 5.037 50 0 IKAAHN CSc1ccc2cc(CNC[C@@H]3COc4ccccc4O3)c(-c3cccs3)nc2c1 ZINC000064066703 556822708 /nfs/dbraw/zinc/82/27/08/556822708.db2.gz CYBRUZNVVDNVPV-GOSISDBHSA-N 0 3 434.586 5.615 50 0 IKAAHN CSc1ccc2cc(CNC[C@H]3COc4ccccc4O3)c(-c3cccs3)nc2c1 ZINC000064066704 556822763 /nfs/dbraw/zinc/82/27/63/556822763.db2.gz CYBRUZNVVDNVPV-SFHVURJKSA-N 0 3 434.586 5.615 50 0 IKAAHN O=C1C(C(OCc2ccccc2)=C(F)F)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000096558274 556833796 /nfs/dbraw/zinc/83/37/96/556833796.db2.gz IDIIHBWOYSCLKB-SFTDATJTSA-N 0 3 425.862 6.369 50 0 IKAAHN CCn1c(SCCN2CCCCC2)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000019639122 556836648 /nfs/dbraw/zinc/83/66/48/556836648.db2.gz YZCXOCKSWJJONY-UHFFFAOYSA-N 0 3 443.620 5.758 50 0 IKAAHN c1ccc(C(c2ccccc2)N2CCN(c3nc(C4CCC4)nc4ccccc43)CC2)cc1 ZINC000096602089 556837876 /nfs/dbraw/zinc/83/78/76/556837876.db2.gz JSVHNMBHZLYELA-UHFFFAOYSA-N 0 3 434.587 5.809 50 0 IKAAHN COc1ccc(CN2C(=O)c3ccccc3[C@H]2N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004676893 556872761 /nfs/dbraw/zinc/87/27/61/556872761.db2.gz CPLKMMGVQMTAPZ-WRXYNROGSA-N 0 3 430.592 5.544 50 0 IKAAHN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004676898 556872866 /nfs/dbraw/zinc/87/28/66/556872866.db2.gz CPLKMMGVQMTAPZ-QFWDNIQQSA-N 0 3 430.592 5.544 50 0 IKAAHN Cc1[nH]c2ccccc2c1CCNC1(c2nnnn2-c2c(C)cccc2C)CCCCC1 ZINC000019848393 556930145 /nfs/dbraw/zinc/93/01/45/556930145.db2.gz YDDTXHJKLNMKBF-UHFFFAOYSA-N 0 3 428.584 5.061 50 0 IKAAHN O=C(COc1ccc2ccccc2c1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000019888721 556938671 /nfs/dbraw/zinc/93/86/71/556938671.db2.gz FUWBYCSDAQBASJ-UHFFFAOYSA-N 0 3 428.576 5.089 50 0 IKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](NC5CCCCCCC5)C4=O)cc3)sc2c1 ZINC000019890021 556938836 /nfs/dbraw/zinc/93/88/36/556938836.db2.gz VFKPWYBLEXOGSV-JOCHJYFZSA-N 0 3 447.604 5.606 50 0 IKAAHN CCCN(CC1CC1)[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000019890053 556938896 /nfs/dbraw/zinc/93/88/96/556938896.db2.gz FMWUSZZVKQEKSI-OAQYLSRUSA-N 0 3 433.577 5.026 50 0 IKAAHN OC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000020421680 557015069 /nfs/dbraw/zinc/01/50/69/557015069.db2.gz MIWSTYFKHGVULN-UHFFFAOYSA-N 0 3 448.610 5.330 50 0 IKAAHN CCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032524 557025124 /nfs/dbraw/zinc/02/51/24/557025124.db2.gz BWLPXCLCBKQIMK-UHFFFAOYSA-N 0 3 432.593 5.354 50 0 IKAAHN CCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055653 557027238 /nfs/dbraw/zinc/02/72/38/557027238.db2.gz WHXWTBVMXPCQCJ-UHFFFAOYSA-N 0 3 438.015 5.471 50 0 IKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)N3CCCCCC3)CC2)cc2ccccc21 ZINC000046055762 557027653 /nfs/dbraw/zinc/02/76/53/557027653.db2.gz LIQGYMWIEKIGIH-UHFFFAOYSA-N 0 3 443.635 5.613 50 0 IKAAHN COc1cc([C@H](C)NCc2cccc(OCc3ccccc3Cl)c2)ccc1OCCO ZINC000048285678 557057817 /nfs/dbraw/zinc/05/78/17/557057817.db2.gz MSMNJGJWGGASQS-SFHVURJKSA-N 0 3 441.955 5.150 50 0 IKAAHN O[C@@H](c1cccs1)C1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000023159379 557070269 /nfs/dbraw/zinc/07/02/69/557070269.db2.gz SAHSJPSXHNGDMA-AREMUKBSSA-N 0 3 429.589 5.751 50 0 IKAAHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3Cl)n3c4ccccc4nc32)cc1 ZINC000023382108 557089234 /nfs/dbraw/zinc/08/92/34/557089234.db2.gz XBBNWYRVSMNWCG-QFIPXVFZSA-N 0 3 444.922 5.115 50 0 IKAAHN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)C(C)S(C)(=O)=O)cc2F)cc1 ZINC000072285149 557135182 /nfs/dbraw/zinc/13/51/82/557135182.db2.gz ZEMVITPHVBFUKN-HOTGVXAUSA-N 0 3 437.602 5.053 50 0 IKAAHN C[C@@](O)(c1ccccc1Cl)[C@@H](c1ccc(OCCN2CCCC2)cc1)c1ccccn1 ZINC000095918061 557161421 /nfs/dbraw/zinc/16/14/21/557161421.db2.gz HFTLWXIJZPQFAT-IZZNHLLZSA-N 0 3 436.983 5.249 50 0 IKAAHN CCOc1cc(CN[C@H]2CCCc3ccccc32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000025259642 557201454 /nfs/dbraw/zinc/20/14/54/557201454.db2.gz KXTAFIMFQSNPHN-DEOSSOPVSA-N 0 3 438.612 5.277 50 0 IKAAHN COc1cccc([C@H]2CN[C@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025480349 557212117 /nfs/dbraw/zinc/21/21/17/557212117.db2.gz YUWKNXAQUIIHLZ-HYBUGGRVSA-N 0 3 430.573 5.732 50 0 IKAAHN CC(C)(C)c1ccc([C@@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025719531 557223237 /nfs/dbraw/zinc/22/32/37/557223237.db2.gz JZQOEUZYAMGYPE-OFVILXPXSA-N 0 3 449.425 7.597 50 0 IKAAHN CCOc1cc([C@@H]2NC[C@@H](c3ccccc3)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000025719458 557223253 /nfs/dbraw/zinc/22/32/53/557223253.db2.gz OTJQJEUYFTUZQO-FIPFOOKPSA-N 0 3 440.587 6.426 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018043686 557234314 /nfs/dbraw/zinc/23/43/14/557234314.db2.gz QNLQEZCOMBQHPE-CEXWTWQISA-N 0 3 445.327 5.106 50 0 IKAAHN COc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCCC2)cc1 ZINC000027583204 557266448 /nfs/dbraw/zinc/26/64/48/557266448.db2.gz MDHBJZCFSYVYRK-HSZRJFAPSA-N 0 3 434.580 5.714 50 0 IKAAHN O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027605673 557267480 /nfs/dbraw/zinc/26/74/80/557267480.db2.gz OSMCAJZOMIFZJT-SFHVURJKSA-N 0 3 432.014 5.021 50 0 IKAAHN COc1ccc([C@H](CNC(=O)c2oc3c(ccc(C)c3C)c2C)N2CCCCCC2)cc1 ZINC000027662246 557268954 /nfs/dbraw/zinc/26/89/54/557268954.db2.gz FSLHILYNSPIHRR-DEOSSOPVSA-N 0 3 434.580 5.714 50 0 IKAAHN COc1ccc(OC)c(-c2cccc(-c3nc(CN4CC[C@@H]5CCCC[C@@H]5C4)cs3)c2)c1 ZINC000023442505 557358349 /nfs/dbraw/zinc/35/83/49/557358349.db2.gz XEFQBYMJDPUSMO-SIKLNZKXSA-N 0 3 448.632 6.506 50 0 IKAAHN Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1C ZINC000102694037 557364654 /nfs/dbraw/zinc/36/46/54/557364654.db2.gz JTNIFZSWZPIHRK-RJGXRXQPSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C ZINC000102694037 557364658 /nfs/dbraw/zinc/36/46/58/557364658.db2.gz JTNIFZSWZPIHRK-RJGXRXQPSA-N 0 3 432.907 5.008 50 0 IKAAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102737090 557379575 /nfs/dbraw/zinc/37/95/75/557379575.db2.gz ZVBJMQNTKVGGNM-ZONZVBGPSA-N 0 3 448.522 5.453 50 0 IKAAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000102737090 557379578 /nfs/dbraw/zinc/37/95/78/557379578.db2.gz ZVBJMQNTKVGGNM-ZONZVBGPSA-N 0 3 448.522 5.453 50 0 IKAAHN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000102755969 557384234 /nfs/dbraw/zinc/38/42/34/557384234.db2.gz UMZFKDLJITZBCJ-TWJOJJKGSA-N 0 3 434.495 5.199 50 0 IKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000105022701 557473076 /nfs/dbraw/zinc/47/30/76/557473076.db2.gz ACMDUCRFEHHFLQ-PIKZIKFNSA-N 0 3 440.587 5.189 50 0 IKAAHN Cc1cccc(C(=O)N(C[C@H]2CN(Cc3ccco3)C[C@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000105042259 557473526 /nfs/dbraw/zinc/47/35/26/557473526.db2.gz PVTGCPAMFRJUOW-GJZUVCINSA-N 0 3 432.539 5.248 50 0 IKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000229922076 557833849 /nfs/dbraw/zinc/83/38/49/557833849.db2.gz AYMQJCUBXGBAEU-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000229922076 557833853 /nfs/dbraw/zinc/83/38/53/557833853.db2.gz AYMQJCUBXGBAEU-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN COc1ccc(NC(=O)[C@H]2CC[C@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1 ZINC000034669829 557848107 /nfs/dbraw/zinc/84/81/07/557848107.db2.gz PYMSULKAMRDHTH-BKMJKUGQSA-N 0 3 430.548 5.296 50 0 IKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003182936 562932625 /nfs/dbraw/zinc/93/26/25/562932625.db2.gz ZLWQGNABQLEYHG-IGKIAQTJSA-N 0 3 448.570 5.296 50 0 IKAAHN CCOc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000008590211 562951566 /nfs/dbraw/zinc/95/15/66/562951566.db2.gz TYDRVVYALGVBST-SFHVURJKSA-N 0 3 438.597 5.198 50 0 IKAAHN O=C(Nc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2)CC1 ZINC000008831059 562964948 /nfs/dbraw/zinc/96/49/48/562964948.db2.gz POLLJKZPRRLSRM-UHFFFAOYSA-N 0 3 443.547 5.114 50 0 IKAAHN CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc2ccccc2o1 ZINC000012026942 562980439 /nfs/dbraw/zinc/98/04/39/562980439.db2.gz LAWLMWXCXTWFNM-IBGZPJMESA-N 0 3 444.497 5.478 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OCc1ccccc1Cl ZINC000015940767 563019430 /nfs/dbraw/zinc/01/94/30/563019430.db2.gz XAKSZJOYEUDHOK-UHFFFAOYSA-N 0 3 434.967 5.313 50 0 IKAAHN O=C(CCN1CCN2CCCC[C@@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019370551 563022758 /nfs/dbraw/zinc/02/27/58/563022758.db2.gz UDGRQZRWGPZOAJ-GOSISDBHSA-N 0 3 428.001 5.030 50 0 IKAAHN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000020451573 563024969 /nfs/dbraw/zinc/02/49/69/563024969.db2.gz WQBFWEBRSQQZLV-UHFFFAOYSA-N 0 3 428.511 5.220 50 0 IKAAHN CN(CCN1C(=O)c2ccccc2C1=O)[C@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000000974408 568647670 /nfs/dbraw/zinc/64/76/70/568647670.db2.gz ZOLFQQCIFXIQCB-DEOSSOPVSA-N 0 3 428.919 5.141 50 0 IKAAHN CCC[C@H](C)N[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 ZINC000025388169 568655882 /nfs/dbraw/zinc/65/58/82/568655882.db2.gz CCDWAUMLYUPPOD-PNLZDCPESA-N 0 3 442.625 5.508 50 0 IKAAHN O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(CN2CCCCC2)cc1 ZINC000003399247 568748543 /nfs/dbraw/zinc/74/85/43/568748543.db2.gz FJCRUNVMCPHAKV-UHFFFAOYSA-N 0 3 425.985 5.626 50 0 IKAAHN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 ZINC000004027649 568758996 /nfs/dbraw/zinc/75/89/96/568758996.db2.gz LDRSZLORBJFCJZ-OCICHSSJSA-N 0 3 427.629 5.306 50 0 biogenic IKAAHN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012660709 568774333 /nfs/dbraw/zinc/77/43/33/568774333.db2.gz LCHQKKCWNVVBHJ-DTAHTLNWSA-N 0 3 441.656 5.552 50 0 biogenic IKAAHN COc1cc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc(OC)c1OC ZINC000001317840 568779481 /nfs/dbraw/zinc/77/94/81/568779481.db2.gz YJPJKPJLMJPSCZ-VWLOTQADSA-N 0 3 444.531 5.008 50 0 biogenic IKAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000015679777 568805618 /nfs/dbraw/zinc/80/56/18/568805618.db2.gz JVRRPVYKTLIKKH-UHFFFAOYSA-N 0 3 435.490 5.232 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000011582352 568818295 /nfs/dbraw/zinc/81/82/95/568818295.db2.gz JSOJSWOILFOYBD-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1ccc(Nc2nc(C(=O)NCCN3CCCCCC3)cc3occc32)cc1Cl ZINC000085651208 568831871 /nfs/dbraw/zinc/83/18/71/568831871.db2.gz MPUIKLVHZZGVNA-UHFFFAOYSA-N 0 3 426.948 5.139 50 0 IKAAHN Cc1nn(-c2ccccc2)c2sc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc12 ZINC000015821599 568839896 /nfs/dbraw/zinc/83/98/96/568839896.db2.gz NJGOVRJSBFEBMN-UHFFFAOYSA-N 0 3 432.593 5.036 50 0 IKAAHN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000015859307 568847159 /nfs/dbraw/zinc/84/71/59/568847159.db2.gz VICURVRTNFROQU-RUZDIDTESA-N 0 3 444.531 6.108 50 0 IKAAHN Cc1cc(C)c(-n2nnnc2[C@H](NCCc2c[nH]c3ccccc23)[C@H]2CC=CCC2)c(C)c1 ZINC000575443629 568869627 /nfs/dbraw/zinc/86/96/27/568869627.db2.gz FCBYSFGHHOOPAD-SQJMNOBHSA-N 0 3 440.595 5.299 50 0 IKAAHN CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)C2CC(=O)Nc1ccc(Cl)cc1Cl ZINC000090594503 568889202 /nfs/dbraw/zinc/88/92/02/568889202.db2.gz MOTROQYIYFOWDU-KRWDZBQOSA-N 0 3 447.297 5.080 50 0 IKAAHN CCN(CC)CCOC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000001809202 568909240 /nfs/dbraw/zinc/90/92/40/568909240.db2.gz BHCIKPVJBGZPSX-UHFFFAOYSA-N 0 3 440.547 5.539 50 0 IKAAHN CCc1cc([C@H](c2ccc(C(C)C)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001893198 568917762 /nfs/dbraw/zinc/91/77/62/568917762.db2.gz PDGHFPSHTKIHAI-SANMLTNESA-N 0 3 446.660 7.262 50 0 IKAAHN O=C(Cn1c(-c2cccs2)cc2cc(Cl)ccc21)N1CCN(C2CCCCC2)CC1 ZINC000064657619 568942304 /nfs/dbraw/zinc/94/23/04/568942304.db2.gz XZUQZAJGMMTRGF-UHFFFAOYSA-N 0 3 442.028 5.500 50 0 IKAAHN Cc1ccc(C)c(NC(=O)[C@@H](NC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 ZINC000006787970 568985992 /nfs/dbraw/zinc/98/59/92/568985992.db2.gz ZMDKOQZOTYNUEF-MHZLTWQESA-N 0 3 427.592 5.237 50 0 IKAAHN Cc1ccc(F)c(CN2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)c1 ZINC000169679928 568990538 /nfs/dbraw/zinc/99/05/38/568990538.db2.gz BFMPFGNAXIQXGE-UKILVPOCSA-N 0 3 442.594 5.629 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301825 568993943 /nfs/dbraw/zinc/99/39/43/568993943.db2.gz SNQPJPYBKFPKEF-JOCHJYFZSA-N 0 3 439.987 5.609 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036304996 568994733 /nfs/dbraw/zinc/99/47/33/568994733.db2.gz KOAUZMZLSVZFIS-LJQANCHMSA-N 0 3 425.960 5.268 50 0 IKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305221 568994908 /nfs/dbraw/zinc/99/49/08/568994908.db2.gz LOJBANWOJCUDGX-NRFANRHFSA-N 0 3 439.987 5.516 50 0 IKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305040 568994948 /nfs/dbraw/zinc/99/49/48/568994948.db2.gz DWQWFVGXAHDWLE-FQEVSTJZSA-N 0 3 439.987 5.516 50 0 IKAAHN C[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305051 568995040 /nfs/dbraw/zinc/99/50/40/568995040.db2.gz PTQLWNUSDOPKFN-KRWDZBQOSA-N 0 3 425.960 5.126 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000036306159 568995431 /nfs/dbraw/zinc/99/54/31/568995431.db2.gz KBCMZDMWWUAEON-TZIWHRDSSA-N 0 3 437.584 5.259 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305956 568995442 /nfs/dbraw/zinc/99/54/42/568995442.db2.gz MWAIDVJGAHOOSZ-OAQYLSRUSA-N 0 3 437.584 5.117 50 0 IKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C1CC1 ZINC000036313787 568998734 /nfs/dbraw/zinc/99/87/34/568998734.db2.gz CWQGVAWOBYPNHL-QFIPXVFZSA-N 0 3 449.595 5.404 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@@H](C)O)[C@@H](C)CC ZINC000036316394 568999851 /nfs/dbraw/zinc/99/98/51/568999851.db2.gz FMQIQCHCXLBRLV-VQTJNVASSA-N 0 3 437.584 5.217 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342027 569079599 /nfs/dbraw/zinc/07/95/99/569079599.db2.gz QYUPAUDVHFIHRO-JOCHJYFZSA-N 0 3 425.548 5.341 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346224 569081231 /nfs/dbraw/zinc/08/12/31/569081231.db2.gz YAQXCEJGLGXAAC-JOCHJYFZSA-N 0 3 425.548 5.341 50 0 IKAAHN CC[C@@H]1CCCCN1Cc1ccc(CNC(=O)c2nc(-c3oc4ccccc4c3C)no2)o1 ZINC000065009956 569088087 /nfs/dbraw/zinc/08/80/87/569088087.db2.gz JEBZEFNTPUTCRQ-QGZVFWFLSA-N 0 3 448.523 5.079 50 0 IKAAHN CCn1cc(CN2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c2cc(OC)ccc21 ZINC000065060012 569095809 /nfs/dbraw/zinc/09/58/09/569095809.db2.gz HCXHSWWGXLZSKW-AREMUKBSSA-N 0 3 445.607 5.076 50 0 IKAAHN CC1CCN([C@@H](CNC(=O)Cc2csc(-c3ccsc3)n2)c2cccs2)CC1 ZINC000036395311 569098731 /nfs/dbraw/zinc/09/87/31/569098731.db2.gz SQDHASJEKBGIJK-SFHVURJKSA-N 0 3 431.652 5.065 50 0 IKAAHN Cc1ccc(CN2CCC(CNC(=O)c3cc4cc5ccc(C)cc5nc4o3)CC2)cc1 ZINC000065331025 569137213 /nfs/dbraw/zinc/13/72/13/569137213.db2.gz PFMAEMXPWFHAHE-UHFFFAOYSA-N 0 3 427.548 5.240 50 0 IKAAHN COc1ccc(CN2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(C)cc3)CC2)cc1 ZINC000037280030 569145730 /nfs/dbraw/zinc/14/57/30/569145730.db2.gz FYHCMEXONQUISQ-UHFFFAOYSA-N 0 3 444.575 5.324 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccccc1 ZINC000006142053 569177282 /nfs/dbraw/zinc/17/72/82/569177282.db2.gz JSOJSWOILFOYBD-QHAWAJNXSA-N 0 3 439.298 5.045 50 0 IKAAHN FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4cc5ccccc5o4)CC3)CC2)c1 ZINC000252500283 569188124 /nfs/dbraw/zinc/18/81/24/569188124.db2.gz SREAPHYCRFCLIP-UHFFFAOYSA-N 0 3 443.513 5.238 50 0 IKAAHN CC[C@@H](C)c1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 ZINC000007719301 569197750 /nfs/dbraw/zinc/19/77/50/569197750.db2.gz UFILVDRYUJMLGM-CRICUBBOSA-N 0 3 425.573 5.093 50 0 IKAAHN CC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 ZINC000007719306 569197820 /nfs/dbraw/zinc/19/78/20/569197820.db2.gz UFILVDRYUJMLGM-NSYGIPOTSA-N 0 3 425.573 5.093 50 0 IKAAHN Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554372 569200370 /nfs/dbraw/zinc/20/03/70/569200370.db2.gz NMUUVZBRZIQBFK-UHFFFAOYSA-N 0 3 447.667 6.298 50 0 IKAAHN COc1ccc(CN2CCC(N(C(=O)c3ccc(OC)cc3)c3ccccc3)CC2)cc1 ZINC000037560296 569201112 /nfs/dbraw/zinc/20/11/12/569201112.db2.gz UNBYPRPODOXCLR-UHFFFAOYSA-N 0 3 430.548 5.015 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000239310100 569268819 /nfs/dbraw/zinc/26/88/19/569268819.db2.gz IBKYNEFOMSOAHD-QHAWAJNXSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1cccc(-c2nc3c(C)cccc3cc2CN(CCN(C)C)C(=O)c2ccoc2)c1 ZINC000299790888 569283717 /nfs/dbraw/zinc/28/37/17/569283717.db2.gz BWFACCQMQPNJKC-UHFFFAOYSA-N 0 3 427.548 5.316 50 0 IKAAHN CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c(SCCN(C)C)n1 ZINC000002413333 569301144 /nfs/dbraw/zinc/30/11/44/569301144.db2.gz DKKYLVUYWUKZOY-UHFFFAOYSA-N 0 3 432.684 5.302 50 0 IKAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@H]12 ZINC000078725993 569318705 /nfs/dbraw/zinc/31/87/05/569318705.db2.gz XLGCRVRNEPZDCK-KHDMTIDOSA-N 0 3 445.007 5.074 50 0 IKAAHN CCOc1cccc(CNCCCCc2nc(-c3cccnc3)cs2)c1OC(F)F ZINC000078869810 569319553 /nfs/dbraw/zinc/31/95/53/569319553.db2.gz XSJFDATYXQTCMU-UHFFFAOYSA-N 0 3 433.524 5.318 50 0 IKAAHN O=C(Nc1cccc(CNCCc2nc(-c3ccncc3)cs2)c1)c1ccccc1Cl ZINC000078869803 569319627 /nfs/dbraw/zinc/31/96/27/569319627.db2.gz QBLQFKIPMDRJBQ-UHFFFAOYSA-N 0 3 448.979 5.443 50 0 IKAAHN Cc1[nH]c2ccccc2c1[C@@H](c1ccc(C(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000019902790 569331926 /nfs/dbraw/zinc/33/19/26/569331926.db2.gz GVJXWYUHTSFSGP-GDLZYMKVSA-N 0 3 441.594 6.650 50 0 IKAAHN OC(CNCc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365346 569362030 /nfs/dbraw/zinc/36/20/30/569362030.db2.gz GEMFEHGELLSSBX-UHFFFAOYSA-N 0 3 441.185 6.326 50 0 IKAAHN CCc1nc([C@H](C)NC(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000095460785 569369718 /nfs/dbraw/zinc/36/97/18/569369718.db2.gz IYDKMQODXPBXBZ-RXVVDRJESA-N 0 3 444.645 5.368 50 0 IKAAHN CC(=O)O[C@@H](c1cccc(N(Cc2ccccc2)C(C)=O)c1)C(C)(C)NCc1ccccc1 ZINC000096028147 569380926 /nfs/dbraw/zinc/38/09/26/569380926.db2.gz YVDGMXCQDZVZHT-MHZLTWQESA-N 0 3 444.575 5.412 50 0 IKAAHN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)NCCN1CCCC1 ZINC000096276370 569388531 /nfs/dbraw/zinc/38/85/31/569388531.db2.gz KOJCWXFRNDIOLD-IBGZPJMESA-N 0 3 430.379 5.209 50 0 IKAAHN CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000002546385 569408910 /nfs/dbraw/zinc/40/89/10/569408910.db2.gz MGXBJVWFWFDPMC-XMMPIXPASA-N 0 3 434.605 6.201 50 0 IKAAHN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1C ZINC000057270657 569430253 /nfs/dbraw/zinc/43/02/53/569430253.db2.gz LGOMQQJSAOGDOM-PGRDOPGGSA-N 0 3 427.548 5.308 50 0 IKAAHN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1C ZINC000057270655 569430335 /nfs/dbraw/zinc/43/03/35/569430335.db2.gz LGOMQQJSAOGDOM-AVRDEDQJSA-N 0 3 427.548 5.308 50 0 IKAAHN c1sc2ncnc(N3CCN(Cc4cccc5cccnc54)CC3)c2c1-c1ccccc1 ZINC000057378885 569432663 /nfs/dbraw/zinc/43/26/63/569432663.db2.gz JFFZDMNLVKXSEB-UHFFFAOYSA-N 0 3 437.572 5.229 50 0 IKAAHN O[C@H](COC(c1ccccc1)c1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000003205142 569441653 /nfs/dbraw/zinc/44/16/53/569441653.db2.gz IFSRSCJPSYQGHS-LJAQVGFWSA-N 0 3 437.583 5.856 50 0 IKAAHN C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)[C@@H](c1cccs1)N1CCCC1 ZINC000003265096 569443333 /nfs/dbraw/zinc/44/33/33/569443333.db2.gz GXFLAVSLENXMFS-BVZFJXPGSA-N 0 3 442.588 5.314 50 0 IKAAHN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)N[C@@H]1CCCc2ccccc21 ZINC000058160830 569449263 /nfs/dbraw/zinc/44/92/63/569449263.db2.gz SKVOWOZHDCFSEZ-VGOFRKELSA-N 0 3 448.588 5.586 50 0 IKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000003423377 569450500 /nfs/dbraw/zinc/45/05/00/569450500.db2.gz JPBARRFKTIHKHJ-UHFFFAOYSA-N 0 3 432.520 5.230 50 0 IKAAHN COc1ccc(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)cc1Cl ZINC000003665626 569455989 /nfs/dbraw/zinc/45/59/89/569455989.db2.gz YZLYYFHOKXDZBS-UHFFFAOYSA-N 0 3 438.062 5.485 50 0 IKAAHN CCCCC[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099980 569458939 /nfs/dbraw/zinc/45/89/39/569458939.db2.gz INXGAHHQCIHNOR-QMGVEFKFSA-N 0 3 443.631 6.897 50 0 IKAAHN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCN1CCC(C)CC1 ZINC000004278801 569461774 /nfs/dbraw/zinc/46/17/74/569461774.db2.gz NWEMWXPQKBBACN-UHFFFAOYSA-N 0 3 428.598 5.269 50 0 IKAAHN Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCC(C)CC2)cc1 ZINC000038546328 569463490 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CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000008837847 569478209 /nfs/dbraw/zinc/47/82/09/569478209.db2.gz DSWJCNQJLMSPAN-OAQYLSRUSA-N 0 3 430.379 5.737 50 0 IKAAHN COC1CCN(Cc2ccc(C(=O)Nc3ccccc3SCC(F)(F)F)cc2)CC1 ZINC000040156704 569494168 /nfs/dbraw/zinc/49/41/68/569494168.db2.gz CPWFSPWXPOAHGU-UHFFFAOYSA-N 0 3 438.515 5.204 50 0 IKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNCc1ccco1 ZINC000008983454 569494656 /nfs/dbraw/zinc/49/46/56/569494656.db2.gz FBDWANCKLFRVKK-DEOSSOPVSA-N 0 3 436.555 6.027 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000009046587 569498386 /nfs/dbraw/zinc/49/83/86/569498386.db2.gz CBZNIZRDUSZYLF-SFHVURJKSA-N 0 3 446.414 5.256 50 0 IKAAHN Cc1cccc(C(=O)N(C[C@@H]2CN(Cc3ccco3)C[C@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000245343487 569504498 /nfs/dbraw/zinc/50/44/98/569504498.db2.gz PVTGCPAMFRJUOW-NVQXNPDNSA-N 0 3 432.539 5.248 50 0 IKAAHN Cc1ccc(CN(C(=O)Nc2ccccc2Cl)C2CCN(Cc3ccccc3)CC2)o1 ZINC000009151162 569507454 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569575324 /nfs/dbraw/zinc/57/53/24/569575324.db2.gz HKORJIOCQROTNW-UHFFFAOYSA-N 0 3 441.666 5.552 50 0 IKAAHN OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000010003100 569577008 /nfs/dbraw/zinc/57/70/08/569577008.db2.gz PHSNANTUHKSKGP-UHFFFAOYSA-N 0 3 441.550 5.364 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2c(cccc2F)s1 ZINC000010066791 569577559 /nfs/dbraw/zinc/57/75/59/569577559.db2.gz CDVPBNDZQITDMC-UHFFFAOYSA-N 0 3 428.558 5.034 50 0 IKAAHN Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccccc1F)N(c1nccs1)C3=O ZINC000010233032 569579440 /nfs/dbraw/zinc/57/94/40/569579440.db2.gz RUKVONVVJQCVEM-KRWDZBQOSA-N 0 3 426.856 5.100 50 0 IKAAHN CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)c1 ZINC000028305469 569584960 /nfs/dbraw/zinc/58/49/60/569584960.db2.gz WAYJVYUUAGISME-UHFFFAOYSA-N 0 3 428.989 5.150 50 0 IKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000035843764 519652492 /nfs/dbraw/zinc/65/24/92/519652492.db2.gz VYSQFZYHSBEZHD-UHFFFAOYSA-N 0 3 433.398 7.031 50 0 IKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035840693 519652632 /nfs/dbraw/zinc/65/26/32/519652632.db2.gz DSSFUSXNNQFGNJ-GDLZYMKVSA-N 0 3 446.679 6.286 50 0 IKAAHN CC(C)CN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843575 519709736 /nfs/dbraw/zinc/70/97/36/519709736.db2.gz WZHJKSADIHDKIR-RUZDIDTESA-N 0 3 442.644 5.855 50 0 IKAAHN CC(C)CN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843576 519709984 /nfs/dbraw/zinc/70/99/84/519709984.db2.gz WZHJKSADIHDKIR-VWLOTQADSA-N 0 3 442.644 5.855 50 0 IKAAHN CC(C)CNCC(=O)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F ZINC000012858420 519743025 /nfs/dbraw/zinc/74/30/25/519743025.db2.gz ZFVJXWWGEUTNQO-UHFFFAOYSA-N 0 3 445.279 5.444 50 0 IKAAHN CC(C)c1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000012055988 519835887 /nfs/dbraw/zinc/83/58/87/519835887.db2.gz PVWUDUDVBKPYIR-UHFFFAOYSA-N 0 3 436.987 5.749 50 0 IKAAHN CCOc1cc(CN2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1OC ZINC000012438602 520696897 /nfs/dbraw/zinc/69/68/97/520696897.db2.gz SSTVUCKDVUPLRR-LJQANCHMSA-N 0 3 445.003 5.056 50 0 IKAAHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874899 520719626 /nfs/dbraw/zinc/71/96/26/520719626.db2.gz BKCZXOHLVZPRMT-HSZRJFAPSA-N 0 3 425.956 5.449 50 0 IKAAHN CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000022076773 520721940 /nfs/dbraw/zinc/72/19/40/520721940.db2.gz PPAPBJXPEGIEEN-UHFFFAOYSA-N 0 3 446.374 6.270 50 0 IKAAHN CC1=C2C[C@@H]3[C@H](CN4CCC(O)(c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012865889 520850132 /nfs/dbraw/zinc/85/01/32/520850132.db2.gz SLTOBOOESMQMPQ-SWXWDQRWSA-N 0 3 444.015 5.082 50 0 biogenic IKAAHN CC1CCN(C(=O)C2CCN(Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000035451510 520974328 /nfs/dbraw/zinc/97/43/28/520974328.db2.gz BGUBREMUGVXWHA-UHFFFAOYSA-N 0 3 447.598 5.299 50 0 IKAAHN CC1CCN(C(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccccc3)CC2)CC1 ZINC000035451372 520974404 /nfs/dbraw/zinc/97/44/04/520974404.db2.gz RQIQKGJHCHLLPG-UHFFFAOYSA-N 0 3 429.608 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523264054 /nfs/dbraw/zinc/26/40/54/523264054.db2.gz RPWYLRRDBNKHLB-UHFFFAOYSA-N 0 3 434.477 5.733 50 0 IKAAHN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccccc1 ZINC000012457738 523335250 /nfs/dbraw/zinc/33/52/50/523335250.db2.gz NKYQUQZPFSDXLH-AREMUKBSSA-N 0 3 446.595 5.170 50 0 IKAAHN COc1ccc(CN(Cc2cccc3cccnc32)Cc2cccc3cccnc32)cc1OC ZINC000012804183 524014364 /nfs/dbraw/zinc/01/43/64/524014364.db2.gz SQDIUCHGFGXIBP-UHFFFAOYSA-N 0 3 449.554 6.003 50 0 IKAAHN CCc1ccc([C@@H](CNC(=O)c2ccc(SCc3csc(C)n3)cc2)N(C)C)cc1 ZINC000022684773 524029080 /nfs/dbraw/zinc/02/90/80/524029080.db2.gz NVGGMDNQTXAFDG-HSZRJFAPSA-N 0 3 439.650 5.339 50 0 IKAAHN Cc1ccc(CN(C(=O)Nc2cc(F)ccc2F)C2CCN(Cc3ccccc3)CC2)o1 ZINC000020532301 524356722 /nfs/dbraw/zinc/35/67/22/524356722.db2.gz FSBHEHRYQKCKMA-UHFFFAOYSA-N 0 3 439.506 5.565 50 0 IKAAHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3cc(C)ccc3C)n3c4ccccc4nc32)cc1 ZINC000023382112 524433180 /nfs/dbraw/zinc/43/31/80/524433180.db2.gz SJSAZYULEUWZMW-DEOSSOPVSA-N 0 3 438.531 5.078 50 0 IKAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000012455157 524446404 /nfs/dbraw/zinc/44/64/04/524446404.db2.gz BLJCMYRLAVEHSR-UHFFFAOYSA-N 0 3 433.596 5.187 50 0 IKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)N4CCC(C)CC4)CC3)cc3ccccc32)c1 ZINC000035451479 524491131 /nfs/dbraw/zinc/49/11/31/524491131.db2.gz IPMUZYZUSQDCOK-UHFFFAOYSA-N 0 3 443.635 5.469 50 0 IKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)N4CCCCC4)CC3)cc3ccccc32)c1 ZINC000035451487 524491342 /nfs/dbraw/zinc/49/13/42/524491342.db2.gz HROWUBMSEOPDNF-UHFFFAOYSA-N 0 3 429.608 5.223 50 0 IKAAHN Cc1ccc(COc2ccc(Br)cc2CNC[C@@H](O)c2ccccc2)cc1 ZINC000020874631 524629290 /nfs/dbraw/zinc/62/92/90/524629290.db2.gz TUCXPKRUVVVVED-JOCHJYFZSA-N 0 3 426.354 5.160 50 0 IKAAHN Cc1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc(C)c1O ZINC000012385837 524675898 /nfs/dbraw/zinc/67/58/98/524675898.db2.gz DKHTWXIDJQNKAT-UHFFFAOYSA-N 0 3 446.595 5.004 50 0 IKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)N4CCCCCC4)CC3)cc3ccccc32)cc1 ZINC000021116157 524765964 /nfs/dbraw/zinc/76/59/64/524765964.db2.gz WXXDRVGLVOEKEJ-UHFFFAOYSA-N 0 3 443.635 5.613 50 0 IKAAHN Cc1ccccc1OC[C@H](O)CN(CCC(C)C)Cc1cccn1Cc1cccc(F)c1 ZINC000035840821 525314009 /nfs/dbraw/zinc/31/40/09/525314009.db2.gz JIWCFEDUMFDOCQ-AREMUKBSSA-N 0 3 438.587 5.272 50 0 IKAAHN COc1cccc(-c2nc(CN3CCC[C@H](c4ccc(Cl)cc4)C3)c(C)o2)c1OC ZINC000020780072 525723980 /nfs/dbraw/zinc/72/39/80/525723980.db2.gz KHFSRTWDATXEKC-SFHVURJKSA-N 0 3 426.944 5.700 50 0 IKAAHN COc1cccc(CN(Cc2cccn2Cc2cccc(C(F)(F)F)c2)[C@H](C)C(C)C)c1 ZINC000035841208 525923121 /nfs/dbraw/zinc/92/31/21/525923121.db2.gz MXHQNWXDWUEBBQ-HXUWFJFHSA-N 0 3 444.541 6.611 50 0 IKAAHN C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)[C@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000012244914 526034454 /nfs/dbraw/zinc/03/44/54/526034454.db2.gz QZPVXHSWRFPXNM-NQIIRXRSSA-N 0 3 436.987 5.304 50 0 IKAAHN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000034682687 526127377 /nfs/dbraw/zinc/12/73/77/526127377.db2.gz LDSGHEULTPHEDW-UHFFFAOYSA-N 0 3 442.603 6.130 50 0 IKAAHN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)C3CCN(C(C)C)CC3)cc12 ZINC000012766493 526297148 /nfs/dbraw/zinc/29/71/48/526297148.db2.gz HTNAZVIVTGLKLM-UHFFFAOYSA-N 0 3 445.032 5.053 50 0 IKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCCCC1 ZINC000035451497 526303522 /nfs/dbraw/zinc/30/35/22/526303522.db2.gz IVCUFVXMOMJVHU-UHFFFAOYSA-N 0 3 433.571 5.053 50 0 IKAAHN Fc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000020876491 526339304 /nfs/dbraw/zinc/33/93/04/526339304.db2.gz AWIUNTUVDZZHIE-UHFFFAOYSA-N 0 3 434.736 6.110 50 0 IKAAHN Fc1ccc([C@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022035652 526366810 /nfs/dbraw/zinc/36/68/10/526366810.db2.gz PTXQKQPOIKEGBV-NDEPHWFRSA-N 0 3 427.567 5.647 50 0 biogenic IKAAHN c1ncn(CC[C@H](NCc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)c2ccccc2)n1 ZINC000012301976 526616399 /nfs/dbraw/zinc/61/63/99/526616399.db2.gz JVLJOKUZPVHCRS-SANMLTNESA-N 0 3 434.547 5.256 50 0 IKAAHN Cc1oc2c(ccc3c2CN(C[C@@H]2CCCN4CCCC[C@H]24)CO3)c(=O)c1-c1ccccc1 ZINC000020763608 526779146 /nfs/dbraw/zinc/77/91/46/526779146.db2.gz VJJJBNQJHYLWDK-XUZZJYLKSA-N 0 3 444.575 5.185 50 0 biogenic IKAAHN O=C(CN[C@@H](CCCc1ccccc1)c1ccccc1)Nc1cc2c(cc1Cl)OCO2 ZINC000012874816 526886636 /nfs/dbraw/zinc/88/66/36/526886636.db2.gz BWIHJQOMJAJTQX-NRFANRHFSA-N 0 3 436.939 5.361 50 0 IKAAHN Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CCN(C4CCCCC4)CC3)o2)cc1 ZINC000021538428 526936593 /nfs/dbraw/zinc/93/65/93/526936593.db2.gz XZNIKDSLBZZBCX-HSZRJFAPSA-N 0 3 436.987 5.430 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccc(Br)cc2)CCCC1 ZINC000024590771 527530613 /nfs/dbraw/zinc/53/06/13/527530613.db2.gz DBMBZOKFNFWAOA-UHFFFAOYSA-N 0 3 441.413 5.042 50 0 IKAAHN COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1 ZINC000000538045 555510362 /nfs/dbraw/zinc/51/03/62/555510362.db2.gz JEYWNNAZDLFBFF-UHFFFAOYSA-N 0 3 425.572 6.075 50 0 in-man IKAAHN CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000001448840 555699586 /nfs/dbraw/zinc/69/95/86/555699586.db2.gz ZPNVPXINAFMWKW-HSZRJFAPSA-N 0 3 438.593 6.184 50 0 IKAAHN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671810 555793091 /nfs/dbraw/zinc/79/30/91/555793091.db2.gz DSRVWTDQIQUZFF-KDYSTLNUSA-N 0 3 428.576 5.046 50 0 IKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2cc(OC)cc(OC)c2)cc1 ZINC000002751372 555810341 /nfs/dbraw/zinc/81/03/41/555810341.db2.gz AROOQDCSBBDXKM-UHFFFAOYSA-N 0 3 449.547 5.076 50 0 biogenic IKAAHN Cc1ccc([C@@H]2CN(Cc3cccn3C)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699096 555814306 /nfs/dbraw/zinc/81/43/06/555814306.db2.gz OTBQZSDHSBFOAD-VPUSJEBWSA-N 0 3 429.608 5.100 50 0 IKAAHN CC[C@@H](C(=O)Nc1ccc(N2CCCN(Cc3cccc(C)c3)CC2)nc1)c1ccccc1 ZINC000034681896 555815719 /nfs/dbraw/zinc/81/57/19/555815719.db2.gz LVPMRNHXYCZPAS-AREMUKBSSA-N 0 3 442.607 5.235 50 0 IKAAHN O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682493 555816340 /nfs/dbraw/zinc/81/63/40/555816340.db2.gz VGEPPEOKQVDDRH-UHFFFAOYSA-N 0 3 444.522 6.078 50 0 IKAAHN CC(C)CC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682599 555816827 /nfs/dbraw/zinc/81/68/27/555816827.db2.gz YDCIGBPQDFVQOY-UHFFFAOYSA-N 0 3 436.493 5.888 50 0 IKAAHN COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CCN(Cc3cccs3)CC2)cc1 ZINC000034682779 555817067 /nfs/dbraw/zinc/81/70/67/555817067.db2.gz GTLRISQGZZXMDP-UHFFFAOYSA-N 0 3 436.577 5.077 50 0 IKAAHN CCCC(=O)N(c1ccc(C)c(F)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682735 555817096 /nfs/dbraw/zinc/81/70/96/555817096.db2.gz CAMRJCKRWNWBML-UHFFFAOYSA-N 0 3 436.493 5.951 50 0 IKAAHN COc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1OC ZINC000034682862 555817559 /nfs/dbraw/zinc/81/75/59/555817559.db2.gz FINPGMNSECPXDP-UHFFFAOYSA-N 0 3 438.612 5.481 50 0 IKAAHN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)cc1 ZINC000034683227 555818510 /nfs/dbraw/zinc/81/85/10/555818510.db2.gz JGGRUFXUOZXOIH-UHFFFAOYSA-N 0 3 428.576 5.623 50 0 IKAAHN Cc1cccc(C(=O)N(C[C@@H]2CN(Cc3ccco3)C[C@@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000034699192 555830968 /nfs/dbraw/zinc/83/09/68/555830968.db2.gz PVTGCPAMFRJUOW-BKMJKUGQSA-N 0 3 432.539 5.248 50 0 IKAAHN Cc1cc([C@@H]2C[C@H](C(=O)NCc3ccccc3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716626 555865798 /nfs/dbraw/zinc/86/57/98/555865798.db2.gz SQCNIMUXBLGGPT-RPWUZVMVSA-N 0 3 434.530 5.195 50 0 IKAAHN COc1cccc([C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740272 555883256 /nfs/dbraw/zinc/88/32/56/555883256.db2.gz GIXYHFPBYHIBKI-WIOPSUGQSA-N 0 3 429.004 5.069 50 0 IKAAHN Cc1cc(O[C@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)ccc1C(C)C ZINC000034740085 555883279 /nfs/dbraw/zinc/88/32/79/555883279.db2.gz ZSMRSGNFXFZAHP-GDLZYMKVSA-N 0 3 428.620 6.451 50 0 IKAAHN COc1cccc([C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740273 555883288 /nfs/dbraw/zinc/88/32/88/555883288.db2.gz GIXYHFPBYHIBKI-RCZVLFRGSA-N 0 3 429.004 5.069 50 0 IKAAHN Cc1ccc(CN2C[C@H](CN(C(=O)C3CCCC3)C(C)C)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034760538 555904200 /nfs/dbraw/zinc/90/42/00/555904200.db2.gz UGQGMBVZTJYOJV-RDGATRHJSA-N 0 3 426.576 5.370 50 0 IKAAHN CCCCCOc1ccccc1NC(=O)OC(CN1CCCCC1)CN1CCCCC1 ZINC000004566961 556001379 /nfs/dbraw/zinc/00/13/79/556001379.db2.gz LDZAMDIMFYHEHE-UHFFFAOYSA-N 0 3 431.621 5.145 50 0 IKAAHN CC[C@@H](NCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1 ZINC000002789234 556139133 /nfs/dbraw/zinc/13/91/33/556139133.db2.gz LFCWKFYAZKYDLW-GOSISDBHSA-N 0 3 444.398 5.560 50 0 IKAAHN CC(C)(C)c1ccc([C@H](N2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000008306329 556156382 /nfs/dbraw/zinc/15/63/82/556156382.db2.gz NGUXLPQALAJFEY-NEEKEDPPSA-N 0 3 438.596 6.558 50 0 IKAAHN O=C1C(C(OCc2ccccc2)=C(F)F)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000008436874 556173298 /nfs/dbraw/zinc/17/32/98/556173298.db2.gz BJPNNCFFOKZBGS-LEWJYISDSA-N 0 3 425.862 6.369 50 0 IKAAHN O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000008441577 556176817 /nfs/dbraw/zinc/17/68/17/556176817.db2.gz ZSFLVHFUWQJPKV-UHFFFAOYSA-N 0 3 434.583 6.547 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1 ZINC000008636704 556194341 /nfs/dbraw/zinc/19/43/41/556194341.db2.gz OVSUBONNIMCYGQ-UHFFFAOYSA-N 0 3 445.346 5.773 50 0 IKAAHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl ZINC000008856392 556227343 /nfs/dbraw/zinc/22/73/43/556227343.db2.gz NUFIELXFXLBACU-UHFFFAOYSA-N 0 3 429.875 5.085 50 0 IKAAHN Cc1onc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1-c1ccccc1Cl ZINC000008914034 556232011 /nfs/dbraw/zinc/23/20/11/556232011.db2.gz HKXCDWJGEAFJLO-UHFFFAOYSA-N 0 3 439.987 5.030 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013757587 556301187 /nfs/dbraw/zinc/30/11/87/556301187.db2.gz SALBNUSWSPILRS-QHAWAJNXSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CCN(C(C)C)CC1)O2 ZINC000013788226 556309781 /nfs/dbraw/zinc/30/97/81/556309781.db2.gz CSVYUOYFXBDRLA-JOCHJYFZSA-N 0 3 444.406 6.046 50 0 IKAAHN COc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC ZINC000009968682 556318935 /nfs/dbraw/zinc/31/89/35/556318935.db2.gz CNSGHSMGLVDLEC-UHFFFAOYSA-N 0 3 444.575 5.411 50 0 IKAAHN COc1cc(/C=C/CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1O ZINC000011701162 556347241 /nfs/dbraw/zinc/34/72/41/556347241.db2.gz WNITYRNEBMGHGR-XGLIRFAXSA-N 0 3 432.520 5.025 50 0 IKAAHN CC(C)[C@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000014014644 556355504 /nfs/dbraw/zinc/35/55/04/556355504.db2.gz QCCQFNPTTFPJRJ-SANMLTNESA-N 0 3 430.548 5.587 50 0 IKAAHN Cc1cc(C)c(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1C ZINC000011818842 556361111 /nfs/dbraw/zinc/36/11/11/556361111.db2.gz HZIYQSBATGNZGL-UHFFFAOYSA-N 0 3 436.987 5.551 50 0 IKAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN([C@@H](C)Cc2ncccc2C)CC1 ZINC000011820577 556362300 /nfs/dbraw/zinc/36/23/00/556362300.db2.gz HXNNJYIRDXLYIB-IBGZPJMESA-N 0 3 448.529 5.228 50 0 IKAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN([C@@H](C)Cc2cccc(C)n2)CC1 ZINC000011821399 556362952 /nfs/dbraw/zinc/36/29/52/556362952.db2.gz BUEFEBUWABPCKF-IBGZPJMESA-N 0 3 448.529 5.228 50 0 IKAAHN CCCn1ncc(CN2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000011842702 556365913 /nfs/dbraw/zinc/36/59/13/556365913.db2.gz DYQBWWMEEZQGHA-QFIPXVFZSA-N 0 3 446.595 5.128 50 0 IKAAHN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2cc3ccccc3o2)CC1 ZINC000011873765 556369985 /nfs/dbraw/zinc/36/99/85/556369985.db2.gz LXKVUDILTUMATL-UHFFFAOYSA-N 0 3 442.563 5.428 50 0 IKAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1 ZINC000011935039 556377874 /nfs/dbraw/zinc/37/78/74/556377874.db2.gz COVWIRJVEREMEB-UHFFFAOYSA-N 0 3 448.570 5.544 50 0 IKAAHN CCCCc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)[nH]1 ZINC000011936744 556379149 /nfs/dbraw/zinc/37/91/49/556379149.db2.gz AJRCDANKWRYMHK-OAQYLSRUSA-N 0 3 446.595 5.279 50 0 IKAAHN COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3[nH]c4c(cccc4C)c3C)C2)c1 ZINC000011957067 556381104 /nfs/dbraw/zinc/38/11/04/556381104.db2.gz IUYUCVCFLXPBGA-NRFANRHFSA-N 0 3 433.596 5.102 50 0 IKAAHN O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000014185958 556385728 /nfs/dbraw/zinc/38/57/28/556385728.db2.gz XJOLFSLFFKANRQ-UHFFFAOYSA-N 0 3 437.008 5.420 50 0 IKAAHN CCn1nc(C)c(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1C ZINC000012001911 556386009 /nfs/dbraw/zinc/38/60/09/556386009.db2.gz PGLXAQKNYUPMPT-UHFFFAOYSA-N 0 3 434.559 5.177 50 0 IKAAHN CSc1ccc(NC(=O)[C@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)cc1 ZINC000012020870 556386794 /nfs/dbraw/zinc/38/67/94/556386794.db2.gz CMCPJDYBTMBALF-JOCHJYFZSA-N 0 3 449.645 5.773 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1oc2ccccc2c1COc1ccccc1 ZINC000014190321 556387778 /nfs/dbraw/zinc/38/77/78/556387778.db2.gz VSLSLHZWELYEGV-UHFFFAOYSA-N 0 3 440.543 5.406 50 0 IKAAHN CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000012075252 556397186 /nfs/dbraw/zinc/39/71/86/556397186.db2.gz VTNFIWDDMVUJPH-UHFFFAOYSA-N 0 3 445.582 5.278 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(F)cc2s1 ZINC000004359450 556409341 /nfs/dbraw/zinc/40/93/41/556409341.db2.gz OUFLBNNTIFQHJU-UHFFFAOYSA-N 0 3 425.573 5.303 50 0 IKAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 ZINC000032622637 556409968 /nfs/dbraw/zinc/40/99/68/556409968.db2.gz ZIRHHRQTORDJAU-HXUWFJFHSA-N 0 3 425.598 5.514 50 0 IKAAHN C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000032836184 556418184 /nfs/dbraw/zinc/41/81/84/556418184.db2.gz RGQOVZZKTQFIKW-OAHLLOKOSA-N 0 3 429.998 5.104 50 0 IKAAHN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027991524 556439991 /nfs/dbraw/zinc/43/99/91/556439991.db2.gz HCYHDSCFQFGOPO-LJQANCHMSA-N 0 3 431.001 6.112 50 0 IKAAHN CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1 ZINC000028293072 556450633 /nfs/dbraw/zinc/45/06/33/556450633.db2.gz JXHGUTMLPDRNII-VWLOTQADSA-N 0 3 436.640 6.120 50 0 IKAAHN CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc32)N2CCCC2)cc1 ZINC000028293399 556451129 /nfs/dbraw/zinc/45/11/29/556451129.db2.gz UZHZJJMPHBLGFD-GDLZYMKVSA-N 0 3 449.598 6.031 50 0 IKAAHN COc1ccc([C@@H](CNc2ncnc3cc(-c4ccc(Cl)cc4)sc32)N(C)C)cc1 ZINC000013070210 556453209 /nfs/dbraw/zinc/45/32/09/556453209.db2.gz APARUZROHWBLCH-HXUWFJFHSA-N 0 3 438.984 5.735 50 0 IKAAHN COc1ccccc1CN1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000014949927 556460287 /nfs/dbraw/zinc/46/02/87/556460287.db2.gz IZOVISXYDBNZLX-UHFFFAOYSA-N 0 3 434.502 5.023 50 0 IKAAHN C/C=C(\C)CN1CCC(c2nnc(SCc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC1 ZINC000014966328 556465820 /nfs/dbraw/zinc/46/58/20/556465820.db2.gz BNAIMRIFOVURAN-ZGCPUTISSA-N 0 3 444.620 5.034 50 0 IKAAHN O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000014991941 556475515 /nfs/dbraw/zinc/47/55/15/556475515.db2.gz UOIYYTHRBJOCPP-VWNXMTODSA-N 0 3 447.604 5.223 50 0 IKAAHN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)C(C)S(C)(=O)=O)cc2F)cc1 ZINC000072285146 556475666 /nfs/dbraw/zinc/47/56/66/556475666.db2.gz ZEMVITPHVBFUKN-HZPDHXFCSA-N 0 3 437.602 5.053 50 0 IKAAHN CN(Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000014993396 556476199 /nfs/dbraw/zinc/47/61/99/556476199.db2.gz HTTSLYOTUZRYJU-HSZRJFAPSA-N 0 3 449.620 5.239 50 0 IKAAHN Cc1ccsc1C(=O)NC[C@H](C)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1 ZINC000014999994 556479347 /nfs/dbraw/zinc/47/93/47/556479347.db2.gz MIRIHFBWBVXHFH-NRFANRHFSA-N 0 3 448.632 5.633 50 0 IKAAHN COc1ccccc1[C@H](CNc1ncnc2scc(-c3ccccc3)c21)N1CCCC1 ZINC000013137301 556484402 /nfs/dbraw/zinc/48/44/02/556484402.db2.gz FNKXBWUKFHEBTM-NRFANRHFSA-N 0 3 430.577 5.616 50 0 IKAAHN COc1cccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)c1 ZINC000015071926 556496706 /nfs/dbraw/zinc/49/67/06/556496706.db2.gz JTLIGZQHLZLQMS-UHFFFAOYSA-N 0 3 430.548 5.222 50 0 IKAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(Cc3ccc(C(C)C)cc3)CC2)c1 ZINC000015074422 556498451 /nfs/dbraw/zinc/49/84/51/556498451.db2.gz CPESJBJMIGXTRQ-UHFFFAOYSA-N 0 3 436.596 5.098 50 0 IKAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(CSC(F)F)o2)cc1 ZINC000030804137 556506204 /nfs/dbraw/zinc/50/62/04/556506204.db2.gz DOCNESBIVFGCLX-UHFFFAOYSA-N 0 3 430.520 5.394 50 0 IKAAHN COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccc(OC)cc4)N(C)C)c23)cc1 ZINC000015346188 556522692 /nfs/dbraw/zinc/52/26/92/556522692.db2.gz BZXKYCCSISXOKS-NRFANRHFSA-N 0 3 434.565 5.090 50 0 IKAAHN Cc1ccc(C2=C(Cl)/C(=C\CN(C)C)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000013647736 556544517 /nfs/dbraw/zinc/54/45/17/556544517.db2.gz XGYTWGZBVRWFDM-ZDQFFALBSA-N 0 3 433.954 6.754 50 0 IKAAHN Oc1ccccc1C1=NC2(CCN(Cc3ccccc3)CC2)N[C@H](c2ccccc2F)C1 ZINC000015830568 556554611 /nfs/dbraw/zinc/55/46/11/556554611.db2.gz LQDWAUZCWBQYCN-DEOSSOPVSA-N 0 3 429.539 5.047 50 0 IKAAHN COc1ccc(CN2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000015856045 556557600 /nfs/dbraw/zinc/55/76/00/556557600.db2.gz ZUNNAKSFFCVMDD-UHFFFAOYSA-N 0 3 442.603 5.179 50 0 IKAAHN CCCNC(=O)COc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671866 556580441 /nfs/dbraw/zinc/58/04/41/556580441.db2.gz JLFNDYHABHLFRC-NDEPHWFRSA-N 0 3 428.576 5.048 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3ccco3)C[C@@H]2c2ccccc2)cc1 ZINC000034698949 556580943 /nfs/dbraw/zinc/58/09/43/556580943.db2.gz DXMBMFXQBCQOND-XNMGPUDCSA-N 0 3 430.592 5.602 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3ccco3)C[C@@H]2c2ccccc2)cc1 ZINC000034698948 556580981 /nfs/dbraw/zinc/58/09/81/556580981.db2.gz DXMBMFXQBCQOND-AHKZPQOWSA-N 0 3 430.592 5.602 50 0 IKAAHN CCN1CCC[C@@H]1CN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000034719601 556581423 /nfs/dbraw/zinc/58/14/23/556581423.db2.gz SUMBPUAQPZQJBA-XLIONFOSSA-N 0 3 439.909 5.113 50 0 IKAAHN CN(C)c1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C(=O)C3CCCC3)C2)cc1 ZINC000037285207 556601412 /nfs/dbraw/zinc/60/14/12/556601412.db2.gz OOIWJBJQDDNYOX-HSZRJFAPSA-N 0 3 439.987 5.118 50 0 IKAAHN CN(C)c1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C(=O)C3CCCC3)C2)cc1 ZINC000037285206 556601472 /nfs/dbraw/zinc/60/14/72/556601472.db2.gz OOIWJBJQDDNYOX-QHCPKHFHSA-N 0 3 439.987 5.118 50 0 IKAAHN CC1CCN([C@@H](CNC(=O)CCCc2nc3ccccc3s2)c2cccs2)CC1 ZINC000032983115 556601620 /nfs/dbraw/zinc/60/16/20/556601620.db2.gz MWBGADYMMMRAFQ-IBGZPJMESA-N 0 3 427.639 5.270 50 0 IKAAHN Clc1ccc(Oc2cccc(CN(CCc3ccccc3)Cc3ccccc3)c2)cc1 ZINC000016663078 556621237 /nfs/dbraw/zinc/62/12/37/556621237.db2.gz PMFBAQCHJRUNGX-UHFFFAOYSA-N 0 3 427.975 7.377 50 0 IKAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005093847 556633971 /nfs/dbraw/zinc/63/39/71/556633971.db2.gz DUIQVZMYHHJIOJ-NRFANRHFSA-N 0 3 425.960 5.094 50 0 IKAAHN CCn1nc(C)c(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1C ZINC000042995863 556660668 /nfs/dbraw/zinc/66/06/68/556660668.db2.gz NUTLXFAIPGMDQC-GOSISDBHSA-N 0 3 431.506 5.308 50 0 IKAAHN Cc1ccccc1[C@@H]1CN(Cc2cccn2C)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248090522 556661455 /nfs/dbraw/zinc/66/14/55/556661455.db2.gz CDIYKANMJTXJDE-RPLLCQBOSA-N 0 3 429.608 5.100 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3ccccn3)C[C@H]2c2ccccc2)cc1 ZINC000248093476 556662391 /nfs/dbraw/zinc/66/23/91/556662391.db2.gz HRYOTVQVQADQEG-XCZPVHLTSA-N 0 3 441.619 5.404 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3ccoc3)C[C@H]2c2ccccc2)cc1 ZINC000248099166 556664104 /nfs/dbraw/zinc/66/41/04/556664104.db2.gz JCSKEPZSDKRCKX-SVBPBHIXSA-N 0 3 430.592 5.602 50 0 IKAAHN FC(F)(F)c1cccc(-c2c[nH]nc2C2CCN(Cc3ccc4nccnc4c3)CC2)c1 ZINC000011911183 556670108 /nfs/dbraw/zinc/67/01/08/556670108.db2.gz PWENICUPGGRGCF-UHFFFAOYSA-N 0 3 437.469 5.418 50 0 IKAAHN COc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCCC2)cc1 ZINC000011916628 556673287 /nfs/dbraw/zinc/67/32/87/556673287.db2.gz PZRZICGHCBXCAB-QHCPKHFHSA-N 0 3 445.003 5.078 50 0 IKAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCCC[C@H]12 ZINC000248264816 556677566 /nfs/dbraw/zinc/67/75/66/556677566.db2.gz XLGCRVRNEPZDCK-BQDHWQRKSA-N 0 3 445.007 5.074 50 0 IKAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCCC[C@@H]12 ZINC000248264817 556677693 /nfs/dbraw/zinc/67/76/93/556677693.db2.gz XLGCRVRNEPZDCK-WPCMGHOJSA-N 0 3 445.007 5.074 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000136627621 556690545 /nfs/dbraw/zinc/69/05/45/556690545.db2.gz LQJFIUWHNSEFRA-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000137647643 556697803 /nfs/dbraw/zinc/69/78/03/556697803.db2.gz ZVBJMQNTKVGGNM-OYUWMTPXSA-N 0 3 448.522 5.453 50 0 IKAAHN CCn1nc(C)c(CN2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1C ZINC000019300096 556735188 /nfs/dbraw/zinc/73/51/88/556735188.db2.gz NUTLXFAIPGMDQC-SFHVURJKSA-N 0 3 431.506 5.308 50 0 IKAAHN Cc1ccc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)s1 ZINC000055271614 556739252 /nfs/dbraw/zinc/73/92/52/556739252.db2.gz VIPRBFLHLYDSNR-UHFFFAOYSA-N 0 3 433.017 5.379 50 0 IKAAHN CCCOc1ccc(-c2nc3ccccc3c(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000055501571 556741580 /nfs/dbraw/zinc/74/15/80/556741580.db2.gz YAWIKHNHZJZHIH-UHFFFAOYSA-N 0 3 438.575 5.408 50 0 IKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(Cl)c1Cl ZINC000055529436 556741790 /nfs/dbraw/zinc/74/17/90/556741790.db2.gz YQEXLKIGYORUTC-UHFFFAOYSA-N 0 3 440.374 5.568 50 0 IKAAHN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000055529262 556741853 /nfs/dbraw/zinc/74/18/53/556741853.db2.gz WPLNTSWCUIWUCS-UHFFFAOYSA-N 0 3 429.564 5.050 50 0 IKAAHN C[C@@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl ZINC000057322410 556747117 /nfs/dbraw/zinc/74/71/17/556747117.db2.gz UMOXMVJJAGHDMD-SFHVURJKSA-N 0 3 428.359 6.241 50 0 IKAAHN CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000057254373 556747249 /nfs/dbraw/zinc/74/72/49/556747249.db2.gz KRPNMLFIPGIESJ-UHFFFAOYSA-N 0 3 429.564 5.048 50 0 IKAAHN C[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967349 556762929 /nfs/dbraw/zinc/76/29/29/556762929.db2.gz LBMQWGLSKLHDSA-FFYRRMKRSA-N 0 3 445.606 7.163 50 0 IKAAHN O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NC1CCCCCCC1)c1ccccc1 ZINC000003325159 556810393 /nfs/dbraw/zinc/81/03/93/556810393.db2.gz GUCFCNIKKNULPZ-OAQYLSRUSA-N 0 3 438.921 6.741 50 0 IKAAHN CCCN1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000003411935 556814598 /nfs/dbraw/zinc/81/45/98/556814598.db2.gz RJTAHPCSTMGGCS-UHFFFAOYSA-N 0 3 438.666 5.394 50 0 IKAAHN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019596576 556830727 /nfs/dbraw/zinc/83/07/27/556830727.db2.gz OAYRFQJRDCQVAW-UHFFFAOYSA-N 0 3 448.566 6.076 50 0 IKAAHN O=C1C(C(OCc2ccccc2)=C(F)F)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000096558276 556833782 /nfs/dbraw/zinc/83/37/82/556833782.db2.gz IDIIHBWOYSCLKB-NHCUHLMSSA-N 0 3 425.862 6.369 50 0 IKAAHN Nc1c(Cl)cc([C@@H](O)CN[C@@H]2c3ccccc3CSc3ccccc32)cc1Cl ZINC000019801897 556917797 /nfs/dbraw/zinc/91/77/97/556917797.db2.gz JQXZAVXODXQBDJ-SIKLNZKXSA-N 0 3 431.388 5.594 50 0 IKAAHN C[C@H](Cc1cccc(C(F)(F)F)c1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019853676 556931107 /nfs/dbraw/zinc/93/11/07/556931107.db2.gz SQDNSYOYZJOLIH-OAHLLOKOSA-N 0 3 438.320 7.322 50 0 IKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NCC5CCCCC5)C4=O)cc3)sc2c1 ZINC000019890033 556938954 /nfs/dbraw/zinc/93/89/54/556938954.db2.gz OBQRXXDGKZFRBC-NRFANRHFSA-N 0 3 433.577 5.074 50 0 IKAAHN CCCCc1nn2c(nc(CN(Cc3ccc(C(C)C)cc3)CC(C)C)cc2=O)s1 ZINC000046032528 557025063 /nfs/dbraw/zinc/02/50/63/557025063.db2.gz ADWQRYRHEDWOLV-UHFFFAOYSA-N 0 3 426.630 5.275 50 0 IKAAHN CC[C@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055581 557027337 /nfs/dbraw/zinc/02/73/37/557027337.db2.gz MIJILLJNTANAMO-IBGZPJMESA-N 0 3 438.015 5.470 50 0 IKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)NCCC(C)C)CC3)cc3ccccc32)c1 ZINC000046055883 557027748 /nfs/dbraw/zinc/02/77/48/557027748.db2.gz DJDLXDMHYKAPOV-UHFFFAOYSA-N 0 3 431.624 5.372 50 0 IKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)NCc4ccco4)CC3)cc3ccccc32)c1 ZINC000046055869 557027829 /nfs/dbraw/zinc/02/78/29/557027829.db2.gz PZAONUHNZKNEMP-UHFFFAOYSA-N 0 3 441.575 5.119 50 0 IKAAHN CCN(CC)CCN(C(=O)c1cc(C)ccc1C)c1nc2c(cccc2SC)s1 ZINC000010813232 557029762 /nfs/dbraw/zinc/02/97/62/557029762.db2.gz VNHCYCUMAJXNET-UHFFFAOYSA-N 0 3 427.639 5.624 50 0 IKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NC3CCCC3)CC2)cc2ccccc21 ZINC000049535966 557110577 /nfs/dbraw/zinc/11/05/77/557110577.db2.gz GBICBZIPXLCCSY-UHFFFAOYSA-N 0 3 429.608 5.269 50 0 IKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)NC3CCCCC3)CC2)cc2ccccc21 ZINC000049535970 557110631 /nfs/dbraw/zinc/11/06/31/557110631.db2.gz CRIRYFCNDDQXQS-UHFFFAOYSA-N 0 3 443.635 5.659 50 0 IKAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000004812039 557136465 /nfs/dbraw/zinc/13/64/65/557136465.db2.gz UPJNKWWSUFGQSG-RUZDIDTESA-N 0 3 425.532 5.444 50 0 IKAAHN C[C@@](O)(c1ccccc1Cl)[C@H](c1ccc(OCCN2CCCC2)cc1)c1ccccn1 ZINC000095918063 557161320 /nfs/dbraw/zinc/16/13/20/557161320.db2.gz HFTLWXIJZPQFAT-CLJLJLNGSA-N 0 3 436.983 5.249 50 0 IKAAHN COc1cccc(OC2=CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000095918157 557161614 /nfs/dbraw/zinc/16/16/14/557161614.db2.gz BAKZEMODIQFPJI-UHFFFAOYSA-N 0 3 449.541 6.554 50 0 IKAAHN CCOc1cc(CN[C@@H]2CCCc3ccccc32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000025259638 557201543 /nfs/dbraw/zinc/20/15/43/557201543.db2.gz KXTAFIMFQSNPHN-XMMPIXPASA-N 0 3 438.612 5.277 50 0 IKAAHN Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)sc1C ZINC000011614257 557210316 /nfs/dbraw/zinc/21/03/16/557210316.db2.gz JEQKCRXMZKGMLZ-SFHVURJKSA-N 0 3 440.883 5.409 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000025762620 557224797 /nfs/dbraw/zinc/22/47/97/557224797.db2.gz KXAAKWTUJRULDI-OAQYLSRUSA-N 0 3 430.379 5.737 50 0 IKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000018033228 557231009 /nfs/dbraw/zinc/23/10/09/557231009.db2.gz SBXXZWYDZDXGMP-CYXNTTPDSA-N 0 3 434.495 5.199 50 0 IKAAHN Nc1c2c(nc3c1CCCC3)n(Cc1ccccc1)c(-c1ccccc1)c2-c1ccccc1 ZINC000018143568 557242763 /nfs/dbraw/zinc/24/27/63/557242763.db2.gz CCPKQYGFQXIHDO-UHFFFAOYSA-N 0 3 429.567 6.880 50 0 IKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)c(C)c1 ZINC000101253864 557265138 /nfs/dbraw/zinc/26/51/38/557265138.db2.gz SEPGHCCRPAHPBO-ZRBLBEILSA-N 0 3 432.907 5.008 50 0 IKAAHN O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000101889334 557305708 /nfs/dbraw/zinc/30/57/08/557305708.db2.gz IBKYNEFOMSOAHD-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101889334 557305710 /nfs/dbraw/zinc/30/57/10/557305710.db2.gz IBKYNEFOMSOAHD-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN C(=C\c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000033401101 557334264 /nfs/dbraw/zinc/33/42/64/557334264.db2.gz QKHFYDWHKIPGFA-NZZUKJSHSA-N 0 3 444.622 6.774 50 0 IKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000102709193 557367632 /nfs/dbraw/zinc/36/76/32/557367632.db2.gz SBXXZWYDZDXGMP-JIMJEQGWSA-N 0 3 434.495 5.199 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102723267 557369176 /nfs/dbraw/zinc/36/91/76/557369176.db2.gz VFLVERBIEIQBPN-QHAWAJNXSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102728071 557370594 /nfs/dbraw/zinc/37/05/94/557370594.db2.gz IKXHSWHUXBQRKK-CCDWMCETSA-N 0 3 438.458 5.030 50 0 IKAAHN Cc1cc(C)c(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000102714858 557375035 /nfs/dbraw/zinc/37/50/35/557375035.db2.gz MCAJYCWBANOJCU-QPTUXGOLSA-N 0 3 446.934 5.316 50 0 IKAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102714858 557375038 /nfs/dbraw/zinc/37/50/38/557375038.db2.gz MCAJYCWBANOJCU-QPTUXGOLSA-N 0 3 446.934 5.316 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000102717188 557375328 /nfs/dbraw/zinc/37/53/28/557375328.db2.gz QNLQEZCOMBQHPE-IPMKNSEASA-N 0 3 445.327 5.106 50 0 IKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 ZINC000102752837 557383502 /nfs/dbraw/zinc/38/35/02/557383502.db2.gz LDNOEDBPXLUFCK-UBFVSLLYSA-N 0 3 440.543 5.344 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@H](C)O)[C@H](C)CC ZINC000105006833 557471742 /nfs/dbraw/zinc/47/17/42/557471742.db2.gz FMQIQCHCXLBRLV-UXHICEINSA-N 0 3 437.584 5.217 50 0 IKAAHN CC(C)C(=O)N(C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000105050508 557474743 /nfs/dbraw/zinc/47/47/43/557474743.db2.gz NUMPGQUHOIMTSA-QPPBQGQZSA-N 0 3 430.995 5.588 50 0 IKAAHN COc1cccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)CN(Cc3ccc(F)cc3F)C2)c1 ZINC000040424919 557725908 /nfs/dbraw/zinc/72/59/08/557725908.db2.gz DBPHXVFOYLMSPT-RTWAWAEBSA-N 0 3 436.502 5.218 50 0 IKAAHN CCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)c1cccc(Cl)c1Cl ZINC000225555496 557741695 /nfs/dbraw/zinc/74/16/95/557741695.db2.gz VYBGLJNNHHEIGL-UHFFFAOYSA-N 0 3 436.383 5.175 50 0 IKAAHN CN(CCNc1ccnc2cc(Cl)ccc21)CCNc1ccnc2cc(Cl)ccc21 ZINC000144389735 557840237 /nfs/dbraw/zinc/84/02/37/557840237.db2.gz WDGQVCRQXSYPCW-UHFFFAOYSA-N 0 3 440.378 5.546 50 0 IKAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000008619116 562959809 /nfs/dbraw/zinc/95/98/09/562959809.db2.gz CDPCTWWOSHPLPU-UHFFFAOYSA-N 0 3 435.490 5.232 50 0 IKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000008717691 562963809 /nfs/dbraw/zinc/96/38/09/562963809.db2.gz RDGLRJQFIWPFIA-LJQANCHMSA-N 0 3 446.776 5.068 50 0 IKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000008717690 562963821 /nfs/dbraw/zinc/96/38/21/562963821.db2.gz RDGLRJQFIWPFIA-IBGZPJMESA-N 0 3 446.776 5.068 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000009397106 562969999 /nfs/dbraw/zinc/96/99/99/562969999.db2.gz XXMRRDBZMDAOOR-NRFANRHFSA-N 0 3 440.385 5.193 50 0 IKAAHN Cc1ccc2nc(Cl)c3cc(C(=O)N(CCN(C)C)Cc4ccco4)sc3c2c1 ZINC000013118735 562984671 /nfs/dbraw/zinc/98/46/71/562984671.db2.gz GZVKFJBGMUZJMD-UHFFFAOYSA-N 0 3 427.957 5.208 50 0 IKAAHN CCn1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c1C ZINC000014949068 563015566 /nfs/dbraw/zinc/01/55/66/563015566.db2.gz PZHQTEVQGUAXTM-QFIPXVFZSA-N 0 3 441.579 5.210 50 0 IKAAHN COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000000937993 568639165 /nfs/dbraw/zinc/63/91/65/568639165.db2.gz VPNUQWGZHVZBRV-UHFFFAOYSA-N 0 3 448.632 6.081 50 0 IKAAHN CCC[C@H](C)N[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 ZINC000025388179 568655708 /nfs/dbraw/zinc/65/57/08/568655708.db2.gz CCDWAUMLYUPPOD-HOIFWPIMSA-N 0 3 442.625 5.508 50 0 IKAAHN O=C(C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)N1CCc2ccccc2C1 ZINC000001179482 568735891 /nfs/dbraw/zinc/73/58/91/568735891.db2.gz VYRFVOJNHYJOTF-UHFFFAOYSA-N 0 3 440.587 5.063 50 0 IKAAHN Cc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3C23CCN(Cc2ccccc2)CC3)cc1 ZINC000001381951 568783814 /nfs/dbraw/zinc/78/38/14/568783814.db2.gz DMJZRUYZCVDFMF-UHFFFAOYSA-N 0 3 449.598 5.666 50 0 IKAAHN C[C@@H](NC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 ZINC000004670395 568790083 /nfs/dbraw/zinc/79/00/83/568790083.db2.gz WWKISNBPANMMPB-JOCHJYFZSA-N 0 3 428.576 5.355 50 0 IKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4cc(C)ccc4nc3o2)cc1 ZINC000085393308 568817182 /nfs/dbraw/zinc/81/71/82/568817182.db2.gz VWDQUWMAJSSHGE-UHFFFAOYSA-N 0 3 445.519 5.040 50 0 IKAAHN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC000015859567 568847768 /nfs/dbraw/zinc/84/77/68/568847768.db2.gz UKGMMNRPSANBKH-MHZLTWQESA-N 0 3 438.571 6.815 50 0 IKAAHN CC1CCN(C(=O)C2CCN(Cc3cc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000015865847 568850560 /nfs/dbraw/zinc/85/05/60/568850560.db2.gz QVZFOQKSLSNIJN-UHFFFAOYSA-N 0 3 447.598 5.299 50 0 IKAAHN C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)[C@@H](c1cccs1)N1CCCC1 ZINC000006182378 568869569 /nfs/dbraw/zinc/86/95/69/568869569.db2.gz GXFLAVSLENXMFS-CJAUYULYSA-N 0 3 442.588 5.314 50 0 IKAAHN C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)[C@H](c1cccs1)N1CCCC1 ZINC000006182242 568869607 /nfs/dbraw/zinc/86/96/07/568869607.db2.gz GXFLAVSLENXMFS-AVRWGWEMSA-N 0 3 442.588 5.314 50 0 IKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O ZINC000137836071 568909248 /nfs/dbraw/zinc/90/92/48/568909248.db2.gz LNTRJTHXPKASLK-CCDWMCETSA-N 0 3 440.543 5.344 50 0 IKAAHN CC(C)CCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000064593989 568936169 /nfs/dbraw/zinc/93/61/69/568936169.db2.gz DTUJFRQJYPEFLI-UHFFFAOYSA-N 0 3 435.587 5.203 50 0 IKAAHN CC(C)CC(=O)N(CCN(C)C)Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1 ZINC000036249556 568983770 /nfs/dbraw/zinc/98/37/70/568983770.db2.gz KPVRZCRNEKTWCO-UHFFFAOYSA-N 0 3 440.632 5.047 50 0 IKAAHN Cc1ccc(C)c(NC(=O)[C@H](NC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 ZINC000006787969 568986031 /nfs/dbraw/zinc/98/60/31/568986031.db2.gz ZMDKOQZOTYNUEF-HHHXNRCGSA-N 0 3 427.592 5.237 50 0 IKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680071 568990855 /nfs/dbraw/zinc/99/08/55/568990855.db2.gz KBCMZDMWWUAEON-FPOVZHCZSA-N 0 3 437.584 5.259 50 0 IKAAHN CC(=O)N(C[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169679896 568991324 /nfs/dbraw/zinc/99/13/24/568991324.db2.gz ZNWDLHREOQWNNJ-UKILVPOCSA-N 0 3 440.578 5.670 50 0 IKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(C[C@@H](C)O)CC1CC1 ZINC000036301832 568994107 /nfs/dbraw/zinc/99/41/07/568994107.db2.gz HOYMASIGWFVPRU-QGZVFWFLSA-N 0 3 425.960 5.219 50 0 IKAAHN CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305120 568994940 /nfs/dbraw/zinc/99/49/40/568994940.db2.gz MKIMOVFFRNCJCS-NRFANRHFSA-N 0 3 439.987 5.658 50 0 IKAAHN C[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305233 568994958 /nfs/dbraw/zinc/99/49/58/568994958.db2.gz YXWFEPOFDRIDNC-QGZVFWFLSA-N 0 3 425.960 5.126 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305224 568995001 /nfs/dbraw/zinc/99/50/01/568995001.db2.gz LOJBANWOJCUDGX-OAQYLSRUSA-N 0 3 439.987 5.516 50 0 IKAAHN CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306092 568995356 /nfs/dbraw/zinc/99/53/56/568995356.db2.gz CKEUJNXPJXTBFR-NRFANRHFSA-N 0 3 437.584 5.259 50 0 IKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342026 569079602 /nfs/dbraw/zinc/07/96/02/569079602.db2.gz QYUPAUDVHFIHRO-QFIPXVFZSA-N 0 3 425.548 5.341 50 0 IKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341944 569079638 /nfs/dbraw/zinc/07/96/38/569079638.db2.gz YYOQSUYPECHQKI-QFIPXVFZSA-N 0 3 442.003 5.855 50 0 IKAAHN Cn1cc(CN2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c2cc(Cl)ccc21 ZINC000065060085 569095727 /nfs/dbraw/zinc/09/57/27/569095727.db2.gz PJJCDOFGDDHXMH-DEOSSOPVSA-N 0 3 435.999 5.238 50 0 IKAAHN CC(C)[C@H](NC(=O)C1CCN(Cc2cn(C)c3ccc(Cl)cc23)CC1)c1cccs1 ZINC000065060078 569095747 /nfs/dbraw/zinc/09/57/47/569095747.db2.gz ZAAWFRXVOOPXHA-QHCPKHFHSA-N 0 3 444.044 5.619 50 0 IKAAHN CCc1ccc(NC(=O)N(Cc2ccc(C)o2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000006877650 569096171 /nfs/dbraw/zinc/09/61/71/569096171.db2.gz HDWBROGLZUGEJK-UHFFFAOYSA-N 0 3 431.580 5.849 50 0 IKAAHN Cc1ccc(CN(C(=O)Nc2cc(C)ccc2C)C2CCN(Cc3ccccc3)CC2)o1 ZINC000006877652 569096189 /nfs/dbraw/zinc/09/61/89/569096189.db2.gz SEZUSOIXZCNKPL-UHFFFAOYSA-N 0 3 431.580 5.904 50 0 IKAAHN Cc1ccc2cc3cc(C(=O)NCC4CCN(Cc5cccc(F)c5)CC4)oc3nc2c1 ZINC000065331030 569137175 /nfs/dbraw/zinc/13/71/75/569137175.db2.gz YWBRTBUEZJJIAU-UHFFFAOYSA-N 0 3 431.511 5.071 50 0 IKAAHN CN(C)CCN(C(=O)c1ccc(C2SCCS2)cc1)c1cccc(Cl)c1Cl ZINC000170610487 569145056 /nfs/dbraw/zinc/14/50/56/569145056.db2.gz HKCDQHWFNIDIIA-UHFFFAOYSA-N 0 3 441.449 5.680 50 0 IKAAHN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000037280008 569145835 /nfs/dbraw/zinc/14/58/35/569145835.db2.gz ZUXSDDQKIVLRAF-UHFFFAOYSA-N 0 3 428.576 5.623 50 0 IKAAHN CC1CCN([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)c2cccs2)CC1 ZINC000014515270 569159201 /nfs/dbraw/zinc/15/92/01/569159201.db2.gz WQICALADWCGFAS-LJQANCHMSA-N 0 3 432.680 5.430 50 0 IKAAHN CSc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCC(C)CC2)cc1 ZINC000016993895 569169799 /nfs/dbraw/zinc/16/97/99/569169799.db2.gz BGUXMORKXSNTDX-DEOSSOPVSA-N 0 3 438.593 5.047 50 0 IKAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(F)cc3s2)o1 ZINC000002200518 569192394 /nfs/dbraw/zinc/19/23/94/569192394.db2.gz VSORMYANUPOQHR-IBGZPJMESA-N 0 3 432.432 5.193 50 0 IKAAHN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccco3)nc2c(C)c1 ZINC000002203851 569192869 /nfs/dbraw/zinc/19/28/69/569192869.db2.gz BCGZQJMDWYKIGK-FQEVSTJZSA-N 0 3 428.469 5.362 50 0 IKAAHN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554269 569200439 /nfs/dbraw/zinc/20/04/39/569200439.db2.gz JMMNFGVCMPPXQK-UHFFFAOYSA-N 0 3 447.667 6.203 50 0 IKAAHN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037559984 569200866 /nfs/dbraw/zinc/20/08/66/569200866.db2.gz OJWHFFLHGNKYOV-UHFFFAOYSA-N 0 3 428.576 5.623 50 0 IKAAHN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037560114 569200904 /nfs/dbraw/zinc/20/09/04/569200904.db2.gz MMRSJXIHLOZZID-UHFFFAOYSA-N 0 3 444.575 5.324 50 0 IKAAHN COc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC000037559433 569200974 /nfs/dbraw/zinc/20/09/74/569200974.db2.gz WAKOUHAEKKBNCH-UHFFFAOYSA-N 0 3 448.538 5.154 50 0 IKAAHN O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCCC[C@H]1c1nccs1 ZINC000244842312 569269437 /nfs/dbraw/zinc/26/94/37/569269437.db2.gz UOIYYTHRBJOCPP-UPVQGACJSA-N 0 3 447.604 5.223 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 ZINC000245311698 569269858 /nfs/dbraw/zinc/26/98/58/569269858.db2.gz QMPCFFAWGGZZJL-UBFVSLLYSA-N 0 3 440.543 5.344 50 0 IKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O ZINC000245311021 569269864 /nfs/dbraw/zinc/26/98/64/569269864.db2.gz LNTRJTHXPKASLK-DSNGMDLFSA-N 0 3 440.543 5.344 50 0 IKAAHN C[C@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OCN2C1 ZINC000253594901 569273230 /nfs/dbraw/zinc/27/32/30/569273230.db2.gz GRMUAQMHJKQVFL-LGLICAKISA-N 0 3 427.673 5.629 50 0 biogenic IKAAHN CC1CCN([C@H](CNC(=O)CCc2ncc(-c3ccccc3F)o2)c2cccs2)CC1 ZINC000027575201 569273906 /nfs/dbraw/zinc/27/39/06/569273906.db2.gz FVOCUZQUCNMMBJ-HXUWFJFHSA-N 0 3 441.572 5.064 50 0 IKAAHN COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccco4)N4CCCCC4)c23)cc1 ZINC000013095514 569309472 /nfs/dbraw/zinc/30/94/72/569309472.db2.gz HYPPXJZJXADJLG-FQEVSTJZSA-N 0 3 434.565 5.599 50 0 IKAAHN CCc1c(C)c(/C=C2\N=CC(C)=C2C)[nH]c1CC1=N/C(=C\c2[nH]cc(C)c2C)C(C)=C1CC ZINC000019702939 569327276 /nfs/dbraw/zinc/32/72/76/569327276.db2.gz VCCDVRGBLNUALZ-PJAANXPGSA-N 0 3 440.635 7.357 50 0 biogenic IKAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992819 569355749 /nfs/dbraw/zinc/35/57/49/569355749.db2.gz LZPZYCHKMQINBO-XMMPIXPASA-N 0 3 433.596 5.760 50 0 IKAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992817 569355772 /nfs/dbraw/zinc/35/57/72/569355772.db2.gz AWHQWAPZKNXRGB-XMMPIXPASA-N 0 3 449.595 5.461 50 0 IKAAHN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CCCC[C@@H]3CCO)cc(=O)oc2c1C ZINC000095473924 569372486 /nfs/dbraw/zinc/37/24/86/569372486.db2.gz LRQLXFRGJMDLSR-HXUWFJFHSA-N 0 3 446.547 5.263 50 0 IKAAHN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)NCCN1CCCC1 ZINC000096276369 569388527 /nfs/dbraw/zinc/38/85/27/569388527.db2.gz KOJCWXFRNDIOLD-LJQANCHMSA-N 0 3 430.379 5.209 50 0 IKAAHN O=C1C(C(OCc2ccccc2)=C(F)F)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000096576560 569401380 /nfs/dbraw/zinc/40/13/80/569401380.db2.gz BJPNNCFFOKZBGS-NHCUHLMSSA-N 0 3 425.862 6.369 50 0 IKAAHN CCn1c2ccccc2c2cc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000055543306 569407157 /nfs/dbraw/zinc/40/71/57/569407157.db2.gz IWEJVXMXQIBUHL-UHFFFAOYSA-N 0 3 437.509 6.155 50 0 IKAAHN CC(=O)Nc1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000003049177 569438932 /nfs/dbraw/zinc/43/89/32/569438932.db2.gz GEWYBYGUKNSINV-KDURUIRLSA-N 0 3 439.625 5.097 50 0 IKAAHN Cc1ccc([C@H]2CN(Cc3cccn3C)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000230155869 569439628 /nfs/dbraw/zinc/43/96/28/569439628.db2.gz OTBQZSDHSBFOAD-AHKZPQOWSA-N 0 3 429.608 5.100 50 0 IKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000003180382 569441322 /nfs/dbraw/zinc/44/13/22/569441322.db2.gz IBNCSKDJHIAUMN-RXVVDRJESA-N 0 3 433.379 5.295 50 0 IKAAHN Clc1ccc(-c2csc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)cc1 ZINC000003349324 569447343 /nfs/dbraw/zinc/44/73/43/569447343.db2.gz QTINEKRVXVOKEW-UHFFFAOYSA-N 0 3 434.996 6.088 50 0 IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]23)CC1 ZINC000059409636 569461195 /nfs/dbraw/zinc/46/11/95/569461195.db2.gz YAENZRSZELRANI-XVOWXPBNSA-N 0 3 443.031 5.229 50 0 biogenic IKAAHN COc1cccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCCCC2)c1 ZINC000038545975 569463316 /nfs/dbraw/zinc/46/33/16/569463316.db2.gz SIWVUODZJAQPSI-JOCHJYFZSA-N 0 3 440.634 6.263 50 0 IKAAHN Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)cc1 ZINC000038546128 569463402 /nfs/dbraw/zinc/46/34/02/569463402.db2.gz ZNWIRBAQQLQDHJ-DEOSSOPVSA-N 0 3 434.605 6.356 50 0 IKAAHN Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCCCC2)cc1 ZINC000038546129 569463412 /nfs/dbraw/zinc/46/34/12/569463412.db2.gz ZNWIRBAQQLQDHJ-XMMPIXPASA-N 0 3 434.605 6.356 50 0 IKAAHN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccsc2)N2CCC(C)CC2)c1C ZINC000038546721 569463680 /nfs/dbraw/zinc/46/36/80/569463680.db2.gz HGWSUYIESGZZQA-FQEVSTJZSA-N 0 3 430.664 6.562 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000008837846 569478248 /nfs/dbraw/zinc/47/82/48/569478248.db2.gz DSWJCNQJLMSPAN-NRFANRHFSA-N 0 3 430.379 5.737 50 0 IKAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000008856107 569479704 /nfs/dbraw/zinc/47/97/04/569479704.db2.gz OFACJGVXOBWZSA-UHFFFAOYSA-N 0 3 439.987 5.030 50 0 IKAAHN CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)c1ccccc1O2 ZINC000008900765 569484137 /nfs/dbraw/zinc/48/41/37/569484137.db2.gz BZMLFEOEKVJLET-HXUWFJFHSA-N 0 3 436.552 5.272 50 0 IKAAHN COc1cccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)CN(Cc3ccc(F)cc3F)C2)c1 ZINC000040424913 569502892 /nfs/dbraw/zinc/50/28/92/569502892.db2.gz DBPHXVFOYLMSPT-LEWJYISDSA-N 0 3 436.502 5.218 50 0 IKAAHN CCOc1ccccc1NC(=O)N(Cc1ccc(C)o1)C1CCN(Cc2ccccc2)CC1 ZINC000009151166 569507480 /nfs/dbraw/zinc/50/74/80/569507480.db2.gz DFQXLSDZBOUOAV-UHFFFAOYSA-N 0 3 447.579 5.685 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009191351 569510639 /nfs/dbraw/zinc/51/06/39/569510639.db2.gz QDBHHIFPYJLHRN-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009272471 569517962 /nfs/dbraw/zinc/51/79/62/569517962.db2.gz RRWMNGIIWKLPLX-QGZVFWFLSA-N 0 3 446.414 5.255 50 0 IKAAHN Cc1ccc2c(c1)[nH]c(C(=O)NCCN1CCCCCC1)c2Sc1ccc(Cl)cc1 ZINC000009288281 569519390 /nfs/dbraw/zinc/51/93/90/569519390.db2.gz IWVIPHDZSVILFS-UHFFFAOYSA-N 0 3 442.028 5.887 50 0 IKAAHN CCN1CCC[C@H]1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(Cl)cc1 ZINC000009288598 569519448 /nfs/dbraw/zinc/51/94/48/569519448.db2.gz LIUXJLQNEGZXCT-INIZCTEOSA-N 0 3 444.000 5.195 50 0 IKAAHN Cc1ccc2c(c1)c1nnc(SCCN3CCCCC3)nc1n2CCc1ccccc1 ZINC000009309276 569521572 /nfs/dbraw/zinc/52/15/72/569521572.db2.gz AKDLWWSDKYVMAG-UHFFFAOYSA-N 0 3 431.609 5.109 50 0 IKAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccsc3)cc2)CC1 ZINC000009322023 569522589 /nfs/dbraw/zinc/52/25/89/569522589.db2.gz HJWQATHWEZBKQI-UHFFFAOYSA-N 0 3 437.634 5.435 50 0 IKAAHN CN(CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccccc1 ZINC000009407753 569530319 /nfs/dbraw/zinc/53/03/19/569530319.db2.gz RMYVDGNOBYTPBF-UHFFFAOYSA-N 0 3 443.037 5.926 50 0 IKAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CN3CCCCCC3)cc21 ZINC000009409343 569530964 /nfs/dbraw/zinc/53/09/64/569530964.db2.gz SAQYAGCBQLIWHZ-HSZRJFAPSA-N 0 3 434.580 5.066 50 0 IKAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(Cl)cc2)cc1OC ZINC000009438849 569535041 /nfs/dbraw/zinc/53/50/41/569535041.db2.gz KMUBMHOMPXEISJ-UHFFFAOYSA-N 0 3 433.939 5.500 50 0 IKAAHN N=C1SC(Cc2ccccc2Cl)C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1 ZINC000009440493 569535269 /nfs/dbraw/zinc/53/52/69/569535269.db2.gz LNQNBPCLTDUUDR-QGZVFWFLSA-N 0 3 448.400 5.667 50 0 IKAAHN c1ccc(-c2nc3sc4c(ncnc4SCCN4CCCCC4)c3c3c2CCC3)cc1 ZINC000009510970 569542845 /nfs/dbraw/zinc/54/28/45/569542845.db2.gz IHXIOKZQKTUSCY-UHFFFAOYSA-N 0 3 446.645 5.973 50 0 IKAAHN COc1ccc(-c2nc3ccccc3c(NCCN(Cc3ccco3)C3CCCC3)n2)cc1 ZINC000009527069 569544669 /nfs/dbraw/zinc/54/46/69/569544669.db2.gz KMUSQDVRMUFHMB-UHFFFAOYSA-N 0 3 442.563 5.755 50 0 IKAAHN Cc1ccc2nc3sc(C(=O)NCC4CCN(Cc5ccccc5F)CC4)cc3cc2c1 ZINC000009528746 569544743 /nfs/dbraw/zinc/54/47/43/569544743.db2.gz JGRJIGHCDWJTOF-UHFFFAOYSA-N 0 3 447.579 5.539 50 0 IKAAHN CCOC(=O)c1c(NC(=O)c2cccc3ccccc32)sc2c1CC(C)(C)NC2(C)C ZINC000009639873 569555262 /nfs/dbraw/zinc/55/52/62/569555262.db2.gz HBQJKHLQDYCVHP-UHFFFAOYSA-N 0 3 436.577 5.490 50 0 IKAAHN COC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC(C)(C)NC2(C)C ZINC000009639782 569555293 /nfs/dbraw/zinc/55/52/93/569555293.db2.gz BHYIPZWSWSDPKX-UHFFFAOYSA-N 0 3 447.409 5.315 50 0 IKAAHN O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009671607 569558627 /nfs/dbraw/zinc/55/86/27/569558627.db2.gz KFSOASQLXNYPHA-DEOSSOPVSA-N 0 3 428.532 5.437 50 0 IKAAHN O[C@@H](CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477394 569586734 /nfs/dbraw/zinc/58/67/34/569586734.db2.gz TYFUYBMLNZAZIB-NRFANRHFSA-N 0 3 446.772 5.505 50 0 IKAAHN CC(C)[C@@H]1C[C@@](CCN2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 ZINC000009420530 132234320 /nfs/dbraw/zinc/23/43/20/132234320.db2.gz VFJFJHQLZRMSMM-RRPNLBNLSA-N 0 3 441.059 5.916 50 0 IKAAHN CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)CC1 ZINC000009531137 132320907 /nfs/dbraw/zinc/32/09/07/132320907.db2.gz XIFBFSIYMUGNAY-UHFFFAOYSA-N 0 3 431.971 5.191 50 0 IKAAHN C/C(=C\c1ccccc1)CN1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000012166751 518444871 /nfs/dbraw/zinc/44/48/71/518444871.db2.gz MDIAEZSIZHFWAX-IOMURQGYSA-N 0 3 442.525 5.622 50 0 IKAAHN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc(N(C)c3ccccc3)cc2)CC1 ZINC000012318873 519609017 /nfs/dbraw/zinc/60/90/17/519609017.db2.gz DPSCAIOXHUOKAY-UHFFFAOYSA-N 0 3 445.611 5.473 50 0 IKAAHN CC(C)CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841196 519652735 /nfs/dbraw/zinc/65/27/35/519652735.db2.gz BYLYMJNPGGGKMQ-UHFFFAOYSA-N 0 3 432.505 6.743 50 0 IKAAHN CC(C)[C@@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843773 519791358 /nfs/dbraw/zinc/79/13/58/519791358.db2.gz SIEDQHRHFKMDRW-LJQANCHMSA-N 0 3 432.505 6.741 50 0 IKAAHN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000035844686 519811957 /nfs/dbraw/zinc/81/19/57/519811957.db2.gz ODJZKUQZJMUOKY-IBGZPJMESA-N 0 3 448.960 7.255 50 0 IKAAHN CCOc1c(Br)cc(CN[C@@H](C)c2ccc(Br)cc2)cc1OC ZINC000022783622 520590092 /nfs/dbraw/zinc/59/00/92/520590092.db2.gz GUAFDRJDDKIOLT-LBPRGKRZSA-N 0 3 443.179 5.470 50 0 IKAAHN CCOc1cc([C@H]2NC[C@@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OC ZINC000012683085 520786328 /nfs/dbraw/zinc/78/63/28/520786328.db2.gz WGCZLEVZAYUPRK-HFZDXXHNSA-N 0 3 428.532 5.408 50 0 IKAAHN CCN(CC)[C@@H](CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C)c1ccccc1 ZINC000012900993 520838469 /nfs/dbraw/zinc/83/84/69/520838469.db2.gz ORHYIZVMEWGFDI-QHCPKHFHSA-N 0 3 439.003 5.015 50 0 IKAAHN CCCCc1ncc(CN2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)[nH]1 ZINC000012300410 521294111 /nfs/dbraw/zinc/29/41/11/521294111.db2.gz GKFWGSHQEFZTLC-UHFFFAOYSA-N 0 3 446.595 5.279 50 0 IKAAHN CCOC(=O)c1c(NC(=O)CCN2CCCCC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000012599404 521407180 /nfs/dbraw/zinc/40/71/80/521407180.db2.gz ONQHJWCLRMENAA-UHFFFAOYSA-N 0 3 434.989 5.368 50 0 IKAAHN CCOc1ccccc1NC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532238 521542272 /nfs/dbraw/zinc/54/22/72/521542272.db2.gz OLRSLZDVNOEKEX-QGZVFWFLSA-N 0 3 438.597 5.198 50 0 IKAAHN CCN1CCC[C@@H]1CNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466698 521638235 /nfs/dbraw/zinc/63/82/35/521638235.db2.gz YXEJPUJCFYRZGO-QGZVFWFLSA-N 0 3 428.001 5.495 50 0 IKAAHN CCN1CCN(c2ccc(NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)c(C)c2)CC1 ZINC000022067975 521699120 /nfs/dbraw/zinc/69/91/20/521699120.db2.gz GHHCZWFTQZUXDX-FQEVSTJZSA-N 0 3 431.580 5.041 50 0 IKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000020532231 521724634 /nfs/dbraw/zinc/72/46/34/521724634.db2.gz CCUPFMAHCHKYGW-MRXNPFEDSA-N 0 3 443.016 5.761 50 0 IKAAHN CN(C)CCNC(=O)C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768780 521776457 /nfs/dbraw/zinc/77/64/57/521776457.db2.gz VJJCINMTHCYJQY-VWLOTQADSA-N 0 3 443.566 5.029 50 0 IKAAHN CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(CC1CCCCC1)C3 ZINC000020814044 521786861 /nfs/dbraw/zinc/78/68/61/521786861.db2.gz ZMTUZZXXLQSFBI-UHFFFAOYSA-N 0 3 445.698 6.014 50 0 IKAAHN CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000012441368 522964412 /nfs/dbraw/zinc/96/44/12/522964412.db2.gz VLBCAFCHXKFYMU-HSZRJFAPSA-N 0 3 430.552 5.045 50 0 IKAAHN CN(CCc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000012441370 522965687 /nfs/dbraw/zinc/96/56/87/522965687.db2.gz VLBCAFCHXKFYMU-QHCPKHFHSA-N 0 3 430.552 5.045 50 0 IKAAHN CC[C@@H](O)C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012437572 522970313 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ZINC000016227408 556593078 /nfs/dbraw/zinc/59/30/78/556593078.db2.gz XLAJNLVKZOVQQU-UHFFFAOYSA-N 0 3 446.374 5.922 50 0 IKAAHN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)C(C)C ZINC000036304531 556596507 /nfs/dbraw/zinc/59/65/07/556596507.db2.gz OEHOBRWBZZEJCC-VWLOTQADSA-N 0 3 437.584 5.211 50 0 IKAAHN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)(C)C)cc1)N(CCCN(C)C)C3=O ZINC000016346286 556601422 /nfs/dbraw/zinc/60/14/22/556601422.db2.gz DXWNQOMLMPJXFW-XMMPIXPASA-N 0 3 446.591 5.204 50 0 IKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000016479884 556611348 /nfs/dbraw/zinc/61/13/48/556611348.db2.gz ACXCZLROSMMVGW-UHFFFAOYSA-N 0 3 440.374 5.568 50 0 IKAAHN CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016611386 556618206 /nfs/dbraw/zinc/61/82/06/556618206.db2.gz JZERZUJBCMDERO-MRXNPFEDSA-N 0 3 432.775 5.485 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3ccccn3)C[C@H]2c2ccccc2)cc1 ZINC000248093469 556662356 /nfs/dbraw/zinc/66/23/56/556662356.db2.gz HRYOTVQVQADQEG-IAPPQJPRSA-N 0 3 441.619 5.404 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3ccoc3)C[C@H]2c2ccccc2)cc1 ZINC000248099197 556664086 /nfs/dbraw/zinc/66/40/86/556664086.db2.gz JCSKEPZSDKRCKX-SXOMAYOGSA-N 0 3 430.592 5.602 50 0 IKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248115419 556666034 /nfs/dbraw/zinc/66/60/34/556666034.db2.gz IKQVHZNUXVEFTF-IGKIAQTJSA-N 0 3 447.598 5.178 50 0 IKAAHN Cc1cc(C(=O)NCCCN(C)Cc2ccccc2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036823 556719600 /nfs/dbraw/zinc/71/96/00/556719600.db2.gz WNHKQAAWIUNWOR-UHFFFAOYSA-N 0 3 441.550 5.601 50 0 IKAAHN O[C@@H]1CCCc2c3cc(Cl)ccc3n(CCN(Cc3ccccc3)Cc3ccccc3)c21 ZINC000057049731 556746606 /nfs/dbraw/zinc/74/66/06/556746606.db2.gz WJQLGSFNVVNNMH-HHHXNRCGSA-N 0 3 445.006 6.367 50 0 IKAAHN Cc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(C(C)C)CC1)O2 ZINC000005297285 556762760 /nfs/dbraw/zinc/76/27/60/556762760.db2.gz DYABFFMLJAJVKY-SANMLTNESA-N 0 3 425.576 5.892 50 0 IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]32)CC1 ZINC000061992812 556766932 /nfs/dbraw/zinc/76/69/32/556766932.db2.gz YAENZRSZELRANI-LXRCUPKFSA-N 0 3 443.031 5.229 50 0 biogenic IKAAHN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1C ZINC000058175567 556769383 /nfs/dbraw/zinc/76/93/83/556769383.db2.gz KFLIWZASLSTNTD-OXJNMPFZSA-N 0 3 433.577 5.370 50 0 IKAAHN Brc1cccc(-c2nnc(CN(CCc3ccccc3)C3CCCC3)o2)c1 ZINC000058370773 556783677 /nfs/dbraw/zinc/78/36/77/556783677.db2.gz BIOBQBJMCPITIJ-UHFFFAOYSA-N 0 3 426.358 5.486 50 0 IKAAHN CC[C@@H](C)N(CCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1cccs1 ZINC000033059883 556816549 /nfs/dbraw/zinc/81/65/49/556816549.db2.gz GJGRDZCTUSDLIW-QGZVFWFLSA-N 0 3 438.622 5.179 50 0 IKAAHN COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2CN[C@H](C)c2cccs2)c1 ZINC000064002435 556822452 /nfs/dbraw/zinc/82/24/52/556822452.db2.gz QKILCHVJMQUPEX-MRXNPFEDSA-N 0 3 434.561 5.840 50 0 IKAAHN COc1cccc(-c2nc3cc(Cl)ccc3cc2CN[C@@H](C)c2cccs2)c1OC ZINC000064045188 556822553 /nfs/dbraw/zinc/82/25/53/556822553.db2.gz HJIRHJSFSAPRBI-HNNXBMFYSA-N 0 3 438.980 6.485 50 0 IKAAHN Cc1cc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1Br ZINC000019596560 556830744 /nfs/dbraw/zinc/83/07/44/556830744.db2.gz LKYRNLLPXOAWGJ-UHFFFAOYSA-N 0 3 435.365 5.568 50 0 IKAAHN COc1cccc(C[C@H](C)N2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)c1 ZINC000019607930 556831194 /nfs/dbraw/zinc/83/11/94/556831194.db2.gz BWYVJHGRJVTHSD-FQEVSTJZSA-N 0 3 447.583 5.112 50 0 IKAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc3cccnc32)CC1)c1ccccc1Cl ZINC000067654882 556845494 /nfs/dbraw/zinc/84/54/94/556845494.db2.gz ODCVCSGGEKRJDD-UHFFFAOYSA-N 0 3 445.954 5.174 50 0 IKAAHN Fc1ccc(-n2cc(CN3CCC[C@@H](c4n[nH]cc4-c4c(F)cccc4F)C3)cn2)cc1 ZINC000019794967 556916058 /nfs/dbraw/zinc/91/60/58/556916058.db2.gz CLJRWMKVSMLGHD-QGZVFWFLSA-N 0 3 437.469 5.059 50 0 IKAAHN Nc1c(Cl)cc([C@@H](O)CN[C@H]2c3ccccc3CSc3ccccc32)cc1Cl ZINC000019801901 556917770 /nfs/dbraw/zinc/91/77/70/556917770.db2.gz JQXZAVXODXQBDJ-UGKGYDQZSA-N 0 3 431.388 5.594 50 0 IKAAHN COc1ccc2[nH]c3c(ncnc3N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020024770 556966852 /nfs/dbraw/zinc/96/68/52/556966852.db2.gz BZCKOOLVUIRSAN-UHFFFAOYSA-N 0 3 449.558 5.031 50 0 IKAAHN Fc1ccc2[nH]c3c(ncnc3N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020024977 556967064 /nfs/dbraw/zinc/96/70/64/556967064.db2.gz QIUFDZIGGVDUFO-UHFFFAOYSA-N 0 3 437.522 5.162 50 0 IKAAHN CCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032522 557025074 /nfs/dbraw/zinc/02/50/74/557025074.db2.gz JSRNFJYVULZSNE-UHFFFAOYSA-N 0 3 438.641 5.734 50 0 IKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1)N1CCCCCC1 ZINC000046055977 557027622 /nfs/dbraw/zinc/02/76/22/557027622.db2.gz DLKLNMPCLRIGHK-UHFFFAOYSA-N 0 3 447.598 5.443 50 0 IKAAHN Cc1nn(-c2cccc(Cl)c2C)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056533 557028433 /nfs/dbraw/zinc/02/84/33/557028433.db2.gz GEIYOOUWWGTOBX-IBGZPJMESA-N 0 3 429.907 5.604 50 0 IKAAHN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000022918663 557046321 /nfs/dbraw/zinc/04/63/21/557046321.db2.gz CLQYBJAATWHCJL-QFIPXVFZSA-N 0 3 447.410 5.375 50 0 IKAAHN c1ccc2c(c1)c1ccccc1n2-c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000086016272 557105682 /nfs/dbraw/zinc/10/56/82/557105682.db2.gz DGWSERVYJXYEDY-UHFFFAOYSA-N 0 3 439.583 8.556 50 0 IKAAHN CCCc1nc(-c2cc3ccc(C)cc3nc2NCCN2CCc3ccccc3C2)no1 ZINC000033331587 557115299 /nfs/dbraw/zinc/11/52/99/557115299.db2.gz HSXCQGFHJPDVCI-UHFFFAOYSA-N 0 3 427.552 5.016 50 0 IKAAHN Fc1ccc(C(CCCN2CC=C(Oc3cccc(F)c3)CC2)c2ccc(F)cc2)cc1 ZINC000095918219 557161634 /nfs/dbraw/zinc/16/16/34/557161634.db2.gz DNLQOCOBXJCVFO-UHFFFAOYSA-N 0 3 437.505 6.685 50 0 IKAAHN CC(=O)c1c(C)[nH]c(C(=O)N(CCCN(C)C)C(c2ccccc2)c2ccccc2)c1C ZINC000072232529 557194840 /nfs/dbraw/zinc/19/48/40/557194840.db2.gz NORYZXJFIRRJQP-UHFFFAOYSA-N 0 3 431.580 5.018 50 0 IKAAHN CC(C)(C)c1ccc([C@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025719534 557223285 /nfs/dbraw/zinc/22/32/85/557223285.db2.gz JZQOEUZYAMGYPE-SQJMNOBHSA-N 0 3 449.425 7.597 50 0 IKAAHN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)c(C)c1 ZINC000018023916 557228882 /nfs/dbraw/zinc/22/88/82/557228882.db2.gz SEPGHCCRPAHPBO-ZLNRFVROSA-N 0 3 432.907 5.008 50 0 IKAAHN CCCCCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000100208374 557247725 /nfs/dbraw/zinc/24/77/25/557247725.db2.gz QNXQIEXQGLIJBX-HKBOAZHASA-N 0 3 447.362 5.642 50 0 IKAAHN COc1ccc([C@@H](CNC(=O)c2oc3c(ccc(C)c3C)c2C)N2CCCCCC2)cc1 ZINC000027662245 557268961 /nfs/dbraw/zinc/26/89/61/557268961.db2.gz FSLHILYNSPIHRR-XMMPIXPASA-N 0 3 434.580 5.714 50 0 IKAAHN C(=C\c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000033401099 557334213 /nfs/dbraw/zinc/33/42/13/557334213.db2.gz QKHFYDWHKIPGFA-XEIWIVHHSA-N 0 3 444.622 6.774 50 0 IKAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1=O ZINC000102730252 557371202 /nfs/dbraw/zinc/37/12/02/557371202.db2.gz DNRSHPPENRRNNQ-AKIFATBCSA-N 0 3 432.907 5.008 50 0 IKAAHN O=C1[C@@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102733428 557372037 /nfs/dbraw/zinc/37/20/37/557372037.db2.gz GWFDKPXTLMKEHJ-IRFCIJBXSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102733428 557372039 /nfs/dbraw/zinc/37/20/39/557372039.db2.gz GWFDKPXTLMKEHJ-IRFCIJBXSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000102717375 557375140 /nfs/dbraw/zinc/37/51/40/557375140.db2.gz LIEWMCGEEMYSGL-DNVJHFABSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O ZINC000102749025 557379189 /nfs/dbraw/zinc/37/91/89/557379189.db2.gz LNTRJTHXPKASLK-ISJGIBHGSA-N 0 3 440.543 5.344 50 0 IKAAHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O ZINC000102749028 557379245 /nfs/dbraw/zinc/37/92/45/557379245.db2.gz LNTRJTHXPKASLK-UBFVSLLYSA-N 0 3 440.543 5.344 50 0 IKAAHN Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000102763389 557380976 /nfs/dbraw/zinc/38/09/76/557380976.db2.gz IRKTWDNRKMSRGK-TWJOJJKGSA-N 0 3 434.495 5.199 50 0 IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@@H]23)CC1 ZINC000247882608 557389299 /nfs/dbraw/zinc/38/92/99/557389299.db2.gz RSUMDFBTCAAZNY-ZKOSBZSFSA-N 0 3 443.031 5.085 50 0 IKAAHN N=C1SC(Cc2ccccc2)C(=O)N1c1ncc(Cc2cccc3ccccc32)s1 ZINC000011692941 557389783 /nfs/dbraw/zinc/38/97/83/557389783.db2.gz QLTNIGLDLZVWSU-NRFANRHFSA-N 0 3 429.570 5.513 50 0 IKAAHN COc1cccc([C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105019193 557473085 /nfs/dbraw/zinc/47/30/85/557473085.db2.gz ILZJSOAWGWCXME-BVAGGSTKSA-N 0 3 440.603 5.191 50 0 IKAAHN Cc1ccc(CN2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105042170 557473507 /nfs/dbraw/zinc/47/35/07/557473507.db2.gz SFWPBGNZGFMNNH-RPLLCQBOSA-N 0 3 448.582 5.741 50 0 IKAAHN Cc1ccccc1[C@H]1CN(Cc2cccn2C)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105041763 557473610 /nfs/dbraw/zinc/47/36/10/557473610.db2.gz CDIYKANMJTXJDE-IGKIAQTJSA-N 0 3 429.608 5.100 50 0 IKAAHN O=C(c1ccccc1)N(C[C@@H]1CN(Cc2ccc[nH]2)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000105041426 557473632 /nfs/dbraw/zinc/47/36/32/557473632.db2.gz XTXXUZNVFNJAAJ-LBNVMWSVSA-N 0 3 441.619 5.705 50 0 IKAAHN Cc1ccc(CN2C[C@H](CN(C(=O)C3CCCC3)C(C)C)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105052887 557474686 /nfs/dbraw/zinc/47/46/86/557474686.db2.gz UGQGMBVZTJYOJV-RCZVLFRGSA-N 0 3 426.576 5.370 50 0 IKAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccccc1C(F)(F)F ZINC000014984728 557811577 /nfs/dbraw/zinc/81/15/77/557811577.db2.gz YEZQADPXYOHGSI-UHFFFAOYSA-N 0 3 442.481 5.129 50 0 IKAAHN CCOc1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)CN(CC)CC3)cc1 ZINC000008590246 562951597 /nfs/dbraw/zinc/95/15/97/562951597.db2.gz SSJKNHHNQHOGKG-QGZVFWFLSA-N 0 3 438.597 5.198 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009427328 562970449 /nfs/dbraw/zinc/97/04/49/562970449.db2.gz FBULPKPHMSLOMY-NRFANRHFSA-N 0 3 440.385 5.193 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(OC)cc2s1 ZINC000010066435 562978427 /nfs/dbraw/zinc/97/84/27/562978427.db2.gz MREASXBGPFKZAK-UHFFFAOYSA-N 0 3 433.577 5.447 50 0 IKAAHN CN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc2ccccc2o1 ZINC000012026945 562980434 /nfs/dbraw/zinc/98/04/34/562980434.db2.gz LAWLMWXCXTWFNM-LJQANCHMSA-N 0 3 444.497 5.478 50 0 IKAAHN CCn1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c(C)n1 ZINC000012072992 562980731 /nfs/dbraw/zinc/98/07/31/562980731.db2.gz RTFURTSIKJGZHS-JOCHJYFZSA-N 0 3 441.579 5.210 50 0 IKAAHN C1CCC[C@@H]2CCCN3CC[C@@H](CCCCCC[C@H]4CCCN5CC[C@@H](CC1)O[C@@H]45)O[C@@H]23 ZINC000014885659 563015111 /nfs/dbraw/zinc/01/51/11/563015111.db2.gz PQYOPBRFUUEHRC-HCKQMYSWSA-N 0 3 446.720 6.335 50 0 in-vitro IKAAHN CCOc1ccccc1NC(=O)[C@H](NCC1(N2CCCCC2)CCCCC1)c1ccccc1 ZINC000039944127 563099329 /nfs/dbraw/zinc/09/93/29/563099329.db2.gz WHJCOBIQSLFYJH-AREMUKBSSA-N 0 3 449.639 5.544 50 0 IKAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(F)cc2Br)cc1 ZINC000025521448 568662008 /nfs/dbraw/zinc/66/20/08/568662008.db2.gz SZGPIVPJSSZYLZ-UHFFFAOYSA-N 0 3 441.344 5.247 50 0 IKAAHN Cc1cc(CN2CCC(CNC(=O)C3c4ccccc4Oc4ccccc43)CC2)c(C)o1 ZINC000043972852 568744796 /nfs/dbraw/zinc/74/47/96/568744796.db2.gz UMUVBVRZZCGIMF-UHFFFAOYSA-N 0 3 430.548 5.162 50 0 IKAAHN COc1cc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc(OC)c1OC ZINC000001317845 568779477 /nfs/dbraw/zinc/77/94/77/568779477.db2.gz YJPJKPJLMJPSCZ-RUZDIDTESA-N 0 3 444.531 5.008 50 0 biogenic IKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc(F)cc2)c1 ZINC000032109692 568781489 /nfs/dbraw/zinc/78/14/89/568781489.db2.gz CYXJCTZIOLZPCY-VWLOTQADSA-N 0 3 432.495 5.138 50 0 biogenic IKAAHN C[C@H](NC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)c1ccccc1 ZINC000004670394 568790195 /nfs/dbraw/zinc/79/01/95/568790195.db2.gz WWKISNBPANMMPB-QFIPXVFZSA-N 0 3 428.576 5.355 50 0 IKAAHN COC(=O)c1c2c(sc1NC(=O)c1ccc(C(C)(C)C)cc1)C(C)(C)NC(C)(C)C2 ZINC000004275281 568802783 /nfs/dbraw/zinc/80/27/83/568802783.db2.gz OHMBDYZGQNFQAL-UHFFFAOYSA-N 0 3 428.598 5.244 50 0 IKAAHN Cc1ccc(F)c(CN2C[C@@H](c3cccc(F)c3)[C@H](CN(CC(C)C)C(=O)C(C)C)C2)c1 ZINC000034740461 568824588 /nfs/dbraw/zinc/82/45/88/568824588.db2.gz BFMPFGNAXIQXGE-ZCYQVOJMSA-N 0 3 442.594 5.629 50 0 IKAAHN c1ccc(N2CCN(CCCN3CCC(Sc4ccc5ccccc5n4)CC3)CC2)cc1 ZINC000038992183 568842945 /nfs/dbraw/zinc/84/29/45/568842945.db2.gz ISEBAGCOGKQJEY-UHFFFAOYSA-N 0 3 446.664 5.004 50 0 IKAAHN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000015859304 568847207 /nfs/dbraw/zinc/84/72/07/568847207.db2.gz ODBUTUDTIGOWNQ-DEOSSOPVSA-N 0 3 430.504 5.862 50 0 IKAAHN C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)[C@H](c1cccs1)N1CCCC1 ZINC000006182382 568869512 /nfs/dbraw/zinc/86/95/12/568869512.db2.gz GXFLAVSLENXMFS-IQGLISFBSA-N 0 3 442.588 5.314 50 0 IKAAHN Cc1cc(C)c(-n2nnnc2[C@H](NCCc2c[nH]c3ccccc23)[C@@H]2CC=CCC2)c(C)c1 ZINC000575443628 568869621 /nfs/dbraw/zinc/86/96/21/568869621.db2.gz FCBYSFGHHOOPAD-PXDATVDWSA-N 0 3 440.595 5.299 50 0 IKAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1csc2ccccc12)N(C)C ZINC000575622499 568883111 /nfs/dbraw/zinc/88/31/11/568883111.db2.gz ZGVRXYVCDSVRIN-IBGZPJMESA-N 0 3 439.968 5.551 50 0 IKAAHN CCc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001893196 568917878 /nfs/dbraw/zinc/91/78/78/568917878.db2.gz PDGHFPSHTKIHAI-AREMUKBSSA-N 0 3 446.660 7.262 50 0 IKAAHN CN(C)CCNC(=O)c1sc2c(cnc3ccc(Cl)cc23)c1-c1ccc(F)cc1 ZINC000064588540 568934743 /nfs/dbraw/zinc/93/47/43/568934743.db2.gz GFOMHLWRMIFRMW-UHFFFAOYSA-N 0 3 427.932 5.200 50 0 IKAAHN CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CCN(C4CCCCC4)CC3)nn21 ZINC000064746121 568949543 /nfs/dbraw/zinc/94/95/43/568949543.db2.gz DRAYJERJZSYRFN-UHFFFAOYSA-N 0 3 438.645 5.123 50 0 IKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)c(C)c1 ZINC000036099020 568952130 /nfs/dbraw/zinc/95/21/30/568952130.db2.gz RRJCIWRXKVJOTI-XMMPIXPASA-N 0 3 427.947 5.538 50 0 IKAAHN Cn1cc([C@@H](CC(=O)NCCN2CCCC2)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000006723153 568963264 /nfs/dbraw/zinc/96/32/64/568963264.db2.gz ANTRXOXRHNHVLO-DEOSSOPVSA-N 0 3 431.624 5.210 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301736 568993970 /nfs/dbraw/zinc/99/39/70/568993970.db2.gz RGFSPVYDWPWDEH-JOCHJYFZSA-N 0 3 442.003 5.855 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036306162 568995370 /nfs/dbraw/zinc/99/53/70/568995370.db2.gz KBCMZDMWWUAEON-PZJWPPBQSA-N 0 3 437.584 5.259 50 0 IKAAHN CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305885 568995452 /nfs/dbraw/zinc/99/54/52/568995452.db2.gz PXRMKMGNVAJUJW-OAQYLSRUSA-N 0 3 437.584 5.261 50 0 IKAAHN CCC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306243 568995456 /nfs/dbraw/zinc/99/54/56/568995456.db2.gz QKSFCSIAEGGXNL-NRFANRHFSA-N 0 3 437.584 5.261 50 0 IKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341966 569079656 /nfs/dbraw/zinc/07/96/56/569079656.db2.gz GBWGOVTZPUKORX-QFIPXVFZSA-N 0 3 437.584 5.211 50 0 IKAAHN CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036344039 569080028 /nfs/dbraw/zinc/08/00/28/569080028.db2.gz FGCGLJYAVFQICN-AREMUKBSSA-N 0 3 449.595 5.036 50 0 IKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345967 569080764 /nfs/dbraw/zinc/08/07/64/569080764.db2.gz LPRKPLQJBXWIAT-NRFANRHFSA-N 0 3 425.548 5.341 50 0 IKAAHN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346111 569080871 /nfs/dbraw/zinc/08/08/71/569080871.db2.gz ALQOWNIJEQASPP-VWLOTQADSA-N 0 3 449.639 6.291 50 0 IKAAHN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346218 569081225 /nfs/dbraw/zinc/08/12/25/569081225.db2.gz CQFPJYLGLUTQFX-HSZRJFAPSA-N 0 3 439.575 5.731 50 0 IKAAHN CCCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346793 569081295 /nfs/dbraw/zinc/08/12/95/569081295.db2.gz MTFAWIREHLAKGH-DEOSSOPVSA-N 0 3 449.639 6.197 50 0 IKAAHN CCc1ccc(CNC(=O)C2CCN(Cc3cn(CC)c4ccc(Cl)cc34)CC2)cc1 ZINC000065060060 569095779 /nfs/dbraw/zinc/09/57/79/569095779.db2.gz DLPZVVHBSQWVPV-UHFFFAOYSA-N 0 3 438.015 5.405 50 0 IKAAHN C[C@H]1[C@H](c2ccccc2)N(Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239338724 569138943 /nfs/dbraw/zinc/13/89/43/569138943.db2.gz LBMQWGLSKLHDSA-XRAHJXPYSA-N 0 3 445.606 7.163 50 0 IKAAHN CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000037280300 569145747 /nfs/dbraw/zinc/14/57/47/569145747.db2.gz IHVLXYUBHRBYQV-UHFFFAOYSA-N 0 3 446.566 5.708 50 0 IKAAHN COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037279998 569145771 /nfs/dbraw/zinc/14/57/71/569145771.db2.gz IPHWCZYPBISJDF-UHFFFAOYSA-N 0 3 444.575 5.324 50 0 IKAAHN CCc1c(C)c(/C=C2\N=CC(C)=C2C)[nH]c1Cc1[nH]c(/C=C2\N=CC(C)=C2C)c(C)c1CC ZINC000017146860 569174722 /nfs/dbraw/zinc/17/47/22/569174722.db2.gz SSWSAFAYPXUVEG-DYMUKZBDSA-N 0 3 440.635 7.199 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000135732379 569181886 /nfs/dbraw/zinc/18/18/86/569181886.db2.gz JSOJSWOILFOYBD-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN CCc1nc([C@H](C)NC(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000252477145 569185741 /nfs/dbraw/zinc/18/57/41/569185741.db2.gz IYDKMQODXPBXBZ-GHTZIAJQSA-N 0 3 444.645 5.368 50 0 IKAAHN Cc1c(CN(CCc2ccc(F)cc2Cl)CCc2ccc(F)cc2Cl)cnn1C ZINC000252483457 569186634 /nfs/dbraw/zinc/18/66/34/569186634.db2.gz FBWAYUPRRCIWBM-UHFFFAOYSA-N 0 3 438.349 5.601 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000015224429 569189011 /nfs/dbraw/zinc/18/90/11/569189011.db2.gz IWBUKYVEGJWBOC-NRFANRHFSA-N 0 3 440.385 5.195 50 0 IKAAHN COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000037559874 569200963 /nfs/dbraw/zinc/20/09/63/569200963.db2.gz GBWQAFPZTYCIOC-UHFFFAOYSA-N 0 3 430.548 5.015 50 0 IKAAHN COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000037560364 569201080 /nfs/dbraw/zinc/20/10/80/569201080.db2.gz DORZWJNIGSRBRC-UHFFFAOYSA-N 0 3 444.575 5.324 50 0 IKAAHN CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245310381 569269884 /nfs/dbraw/zinc/26/98/84/569269884.db2.gz IOJSASXMHFMQDT-YPHZUOLQSA-N 0 3 434.451 7.353 50 0 IKAAHN CC(C)c1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000299785379 569283644 /nfs/dbraw/zinc/28/36/44/569283644.db2.gz YLSUOAVZPWMSNH-VWNXMTODSA-N 0 3 444.541 5.842 50 0 IKAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CNC[C@@H]2COc3ccccc3O2)cc1 ZINC000299767509 569283675 /nfs/dbraw/zinc/28/36/75/569283675.db2.gz HOUHAIIRXGZUDN-HSZRJFAPSA-N 0 3 426.516 5.148 50 0 IKAAHN C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)OCN2C1 ZINC000070691806 569315435 /nfs/dbraw/zinc/31/54/35/569315435.db2.gz GRMUAQMHJKQVFL-IIGAACAISA-N 0 3 427.673 5.629 50 0 biogenic IKAAHN S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCCN1CCCCC1)Cc1ccco1 ZINC000020107699 569334294 /nfs/dbraw/zinc/33/42/94/569334294.db2.gz VGHJFTSNLWKGBY-UHFFFAOYSA-N 0 3 449.620 6.147 50 0 IKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CSc2ccccn2)c1 ZINC000020111968 569334449 /nfs/dbraw/zinc/33/44/49/569334449.db2.gz PIAKGGWHCINPNY-XMMPIXPASA-N 0 3 431.561 5.108 50 0 biogenic IKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CSc2ccccn2)c1 ZINC000020111970 569334651 /nfs/dbraw/zinc/33/46/51/569334651.db2.gz PIAKGGWHCINPNY-DEOSSOPVSA-N 0 3 431.561 5.108 50 0 biogenic IKAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992818 569355778 /nfs/dbraw/zinc/35/57/78/569355778.db2.gz LZPZYCHKMQINBO-DEOSSOPVSA-N 0 3 433.596 5.760 50 0 IKAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CN3CCCC[C@H]3C)cc21 ZINC000020440020 569365748 /nfs/dbraw/zinc/36/57/48/569365748.db2.gz IKXAZHVMIKPYHS-AUSIDOKSSA-N 0 3 434.580 5.064 50 0 IKAAHN CCc1ccc(Sc2cc(C(=O)NCCN3[C@@H](C)CCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000002941386 569426708 /nfs/dbraw/zinc/42/67/08/569426708.db2.gz WCVYERRBBYFAOS-PMACEKPBSA-N 0 3 447.648 5.941 50 0 IKAAHN CC(C)Oc1ccc(-c2nc3ccccc3c(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000057063777 569429369 /nfs/dbraw/zinc/42/93/69/569429369.db2.gz RCTQUXPOCDUBRW-UHFFFAOYSA-N 0 3 438.575 5.406 50 0 IKAAHN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)c1C ZINC000057270656 569430291 /nfs/dbraw/zinc/43/02/91/569430291.db2.gz LGOMQQJSAOGDOM-XMSQKQJNSA-N 0 3 427.548 5.308 50 0 IKAAHN CN(CCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)Cc1ccccc1 ZINC000003040020 569438028 /nfs/dbraw/zinc/43/80/28/569438028.db2.gz ITIHPMQSMGIRAZ-UHFFFAOYSA-N 0 3 445.563 5.387 50 0 IKAAHN CC(=O)Nc1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)ccc1Sc1ccc(C)cc1 ZINC000003049181 569438926 /nfs/dbraw/zinc/43/89/26/569438926.db2.gz GEWYBYGUKNSINV-RTBURBONSA-N 0 3 439.625 5.097 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057613184 569440255 /nfs/dbraw/zinc/44/02/55/569440255.db2.gz OLLXRRVKVDQNML-JYQLYUNWSA-N 0 3 428.620 5.305 50 0 IKAAHN O[C@@H](COC(c1ccccc1)c1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC000003205144 569441688 /nfs/dbraw/zinc/44/16/88/569441688.db2.gz IFSRSCJPSYQGHS-GDLZYMKVSA-N 0 3 437.583 5.856 50 0 IKAAHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc12 ZINC000003324811 569446174 /nfs/dbraw/zinc/44/61/74/569446174.db2.gz IKMQWHYXUVGEQX-HXUWFJFHSA-N 0 3 438.984 5.082 50 0 IKAAHN COc1ccc(Cl)cc1NC(=S)N(CCN1CCCCCC1)Cc1cccs1 ZINC000003665395 569455960 /nfs/dbraw/zinc/45/59/60/569455960.db2.gz ICKMHTJZZNNDJF-UHFFFAOYSA-N 0 3 438.062 5.485 50 0 IKAAHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 ZINC000004082329 569458707 /nfs/dbraw/zinc/45/87/07/569458707.db2.gz FKAJEUFWOXAABF-FRXWOFFRSA-N 0 3 429.645 5.386 50 0 biogenic IKAAHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCN1CCCCC1 ZINC000004082330 569458719 /nfs/dbraw/zinc/45/87/19/569458719.db2.gz FKAJEUFWOXAABF-NNHWUIPKSA-N 0 3 429.645 5.386 50 0 biogenic IKAAHN COc1cccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCCCC2)c1 ZINC000038545976 569463294 /nfs/dbraw/zinc/46/32/94/569463294.db2.gz SIWVUODZJAQPSI-QFIPXVFZSA-N 0 3 440.634 6.263 50 0 IKAAHN O=C(Nc1sc2c(c1[C@@H](c1cccs1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038546144 569463429 /nfs/dbraw/zinc/46/34/29/569463429.db2.gz QLEFLUBNRVQGGP-OAQYLSRUSA-N 0 3 426.607 6.109 50 0 IKAAHN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)N2CCC(C)CC2)c1C ZINC000038546720 569463638 /nfs/dbraw/zinc/46/36/38/569463638.db2.gz HGWSUYIESGZZQA-HXUWFJFHSA-N 0 3 430.664 6.562 50 0 IKAAHN CC1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546308 569463499 /nfs/dbraw/zinc/46/34/99/569463499.db2.gz COWLTBDLNSRCNK-XMMPIXPASA-N 0 3 434.605 6.294 50 0 IKAAHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000008776044 569475321 /nfs/dbraw/zinc/47/53/21/569475321.db2.gz HJEDBEXJJJEVQA-UHFFFAOYSA-N 0 3 441.934 5.358 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000008817706 569476972 /nfs/dbraw/zinc/47/69/72/569476972.db2.gz XKOKCFHMUZBEQI-NRFANRHFSA-N 0 3 430.379 5.739 50 0 IKAAHN CN1CCC2(CC1)C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)c1ccccc1O2 ZINC000008900762 569484166 /nfs/dbraw/zinc/48/41/66/569484166.db2.gz BZMLFEOEKVJLET-FQEVSTJZSA-N 0 3 436.552 5.272 50 0 IKAAHN CC1(C)C(c2ccccc2)=NN(c2ccc(CNCc3ccccc3)cc2)[C@@H]1c1ccccc1 ZINC000008914042 569485461 /nfs/dbraw/zinc/48/54/61/569485461.db2.gz FBIRIRZWKHNLQS-SSEXGKCCSA-N 0 3 445.610 6.968 50 0 IKAAHN [O-]c1cc(OCC[NH+]2CCCCC2)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 ZINC000009059641 569499380 /nfs/dbraw/zinc/49/93/80/569499380.db2.gz ZQJDLCDTYZLDEH-UHFFFAOYSA-N 0 3 442.357 5.077 50 0 IKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccco2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000245343563 569504459 /nfs/dbraw/zinc/50/44/59/569504459.db2.gz RYCIYFBAXZVXOO-BKMJKUGQSA-N 0 3 434.555 5.494 50 0 IKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009158370 569508449 /nfs/dbraw/zinc/50/84/49/569508449.db2.gz DDFFIXYMEKCZKS-OAQYLSRUSA-N 0 3 446.470 5.164 50 0 IKAAHN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000009158371 569508536 /nfs/dbraw/zinc/50/85/36/569508536.db2.gz DDFFIXYMEKCZKS-NRFANRHFSA-N 0 3 446.470 5.164 50 0 IKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2ccccc2F)N1c1nc2ccccc2s1 ZINC000009187128 569510260 /nfs/dbraw/zinc/51/02/60/569510260.db2.gz SDJLOVFGZPBADX-FQEVSTJZSA-N 0 3 428.444 5.292 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000009190727 569510559 /nfs/dbraw/zinc/51/05/59/569510559.db2.gz IZRGMSVRVHAMNO-UBFVSLLYSA-N 0 3 438.458 5.030 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009190930 569510609 /nfs/dbraw/zinc/51/06/09/569510609.db2.gz SALBNUSWSPILRS-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCC[C@H]3C)cc2)nc1COc1ccc(C)cc1 ZINC000009211880 569511895 /nfs/dbraw/zinc/51/18/95/569511895.db2.gz LWEYTEQLGHTZHY-HXUWFJFHSA-N 0 3 447.579 5.142 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009272519 569517937 /nfs/dbraw/zinc/51/79/37/569517937.db2.gz MBWACYIAXKKYPA-HHHXNRCGSA-N 0 3 437.587 6.098 50 0 IKAAHN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccn3)nc2c(C)c1 ZINC000009347817 569524327 /nfs/dbraw/zinc/52/43/27/569524327.db2.gz GIZZDNCPAWHBHM-NRFANRHFSA-N 0 3 439.496 5.164 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009411317 569531509 /nfs/dbraw/zinc/53/15/09/569531509.db2.gz RPTDIMKJZOPARV-NRFANRHFSA-N 0 3 427.495 5.032 50 0 IKAAHN COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000009450933 569536318 /nfs/dbraw/zinc/53/63/18/569536318.db2.gz LKQUJEYSMGDJAM-UTKZUKDTSA-N 0 3 447.966 5.579 50 0 IKAAHN COc1ccc(Cl)cc1NC(=O)[C@H](C)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000009450927 569536340 /nfs/dbraw/zinc/53/63/40/569536340.db2.gz LKQUJEYSMGDJAM-UWJYYQICSA-N 0 3 447.966 5.579 50 0 IKAAHN COc1cc(CNCc2cccs2)ccc1OCCOc1cccc(Br)c1 ZINC000009464457 569537655 /nfs/dbraw/zinc/53/76/55/569537655.db2.gz HWXIMYSYGOHYIC-UHFFFAOYSA-N 0 3 448.382 5.267 50 0 IKAAHN C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-n2ccnc2)cc1 ZINC000009465397 569537918 /nfs/dbraw/zinc/53/79/18/569537918.db2.gz TWCSTSLILOXFDH-OAQYLSRUSA-N 0 3 434.547 5.030 50 0 IKAAHN Clc1ccc(-c2nc3ccccc3c(NCCCN3CCc4ccccc4C3)n2)cc1 ZINC000009527118 569544675 /nfs/dbraw/zinc/54/46/75/569544675.db2.gz IZIKBACAZJUABX-UHFFFAOYSA-N 0 3 428.967 5.811 50 0 IKAAHN CN(C)Cc1ccc(CNC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)cc1 ZINC000009607759 569552053 /nfs/dbraw/zinc/55/20/53/569552053.db2.gz RSODTONHFWVUJB-UHFFFAOYSA-N 0 3 429.539 5.285 50 0 IKAAHN COC(=O)c1c(NC(=O)Cc2cccc3ccccc32)sc2c1CC(C)(C)NC2(C)C ZINC000009639729 569555230 /nfs/dbraw/zinc/55/52/30/569555230.db2.gz ZZXMNXLVGCODDX-UHFFFAOYSA-N 0 3 436.577 5.029 50 0 IKAAHN CCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CC(C)(C)NC2(C)C ZINC000009639856 569555251 /nfs/dbraw/zinc/55/52/51/569555251.db2.gz LYVDQFXMHJZGIT-UHFFFAOYSA-N 0 3 440.609 5.215 50 0 IKAAHN CCc1ccccc1Nc1nc(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000071326586 569574898 /nfs/dbraw/zinc/57/48/98/569574898.db2.gz UCRQCEZHTZJVEZ-UHFFFAOYSA-N 0 3 434.609 5.152 50 0 IKAAHN CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc4ncsc4c3)sc2c1 ZINC000010066636 569577595 /nfs/dbraw/zinc/57/75/95/569577595.db2.gz DOBNQQQGFZMFDI-UHFFFAOYSA-N 0 3 438.622 5.457 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2cc(C)cc(C)c2s1 ZINC000010067197 569577650 /nfs/dbraw/zinc/57/76/50/569577650.db2.gz QFJWRGJLHFLQQZ-UHFFFAOYSA-N 0 3 438.622 5.511 50 0 IKAAHN O[C@H](CNCc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477431 569586738 /nfs/dbraw/zinc/58/67/38/569586738.db2.gz IZVUKEJVJRCQDH-OAQYLSRUSA-N 0 3 446.772 5.505 50 0 IKAAHN O[C@@H](CNCc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 ZINC000016477428 569586787 /nfs/dbraw/zinc/58/67/87/569586787.db2.gz IZVUKEJVJRCQDH-NRFANRHFSA-N 0 3 446.772 5.505 50 0 IKAAHN O[C@H](CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477397 569586789 /nfs/dbraw/zinc/58/67/89/569586789.db2.gz TYFUYBMLNZAZIB-OAQYLSRUSA-N 0 3 446.772 5.505 50 0 IKAAHN CC(C)[C@H]1C[C@@](CCN2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 ZINC000009420531 132234339 /nfs/dbraw/zinc/23/43/39/132234339.db2.gz VFJFJHQLZRMSMM-KAYWLYCHSA-N 0 3 441.059 5.916 50 0 IKAAHN Cc1cc(CNC2CCN(c3ccc(NC(=O)CCCCc4ccccc4)cc3)CC2)on1 ZINC000011791362 132339988 /nfs/dbraw/zinc/33/99/88/132339988.db2.gz QJPUXLHYUNFAFY-UHFFFAOYSA-N 0 3 446.595 5.093 50 0 IKAAHN CC(=O)c1cc(CN(C)C[C@@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cs1 ZINC000012431728 518276543 /nfs/dbraw/zinc/27/65/43/518276543.db2.gz RZVREZBKURXSKY-IBGZPJMESA-N 0 3 438.559 5.356 50 0 IKAAHN C(=C/c1ccccc1)\CN1CCN([C@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000020791365 518372258 /nfs/dbraw/zinc/37/22/58/518372258.db2.gz QKHFYDWHKIPGFA-AYOQVULOSA-N 0 3 444.622 6.774 50 0 IKAAHN C/C(=C\c1ccccc1)CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012314209 518444503 /nfs/dbraw/zinc/44/45/03/518444503.db2.gz PUAPVSICPBDIHN-XTQSDGFTSA-N 0 3 442.607 5.585 50 0 IKAAHN CC(C)/C=C/CN1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000012325840 519387093 /nfs/dbraw/zinc/38/70/93/519387093.db2.gz NVPBNPOYZCMOEX-HBIFQHOTSA-N 0 3 431.624 5.222 50 0 IKAAHN CC(C)c1nc2sc3c(c2c(N2CCN(CCc4ccccc4)CC2)n1)CCCCC3 ZINC000035893004 519872661 /nfs/dbraw/zinc/87/26/61/519872661.db2.gz IXKPMWMDFMQQCE-UHFFFAOYSA-N 0 3 434.653 5.448 50 0 IKAAHN CCN(CC)C(=O)C1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)CC1 ZINC000012202437 520444977 /nfs/dbraw/zinc/44/49/77/520444977.db2.gz QAAQMZQLAIVLEP-UHFFFAOYSA-N 0 3 448.586 5.067 50 0 IKAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN([C@H](C)Cc2ccc(C)cn2)CC1 ZINC000012308605 520466089 /nfs/dbraw/zinc/46/60/89/520466089.db2.gz ROBSAKDCDWWCDU-LJQANCHMSA-N 0 3 448.529 5.228 50 0 IKAAHN CCOc1cc(CN[C@@H](C)c2ccc(Br)cc2)cc(Br)c1OC ZINC000022783612 520727185 /nfs/dbraw/zinc/72/71/85/520727185.db2.gz KVANQRXQWWZWBU-LBPRGKRZSA-N 0 3 443.179 5.470 50 0 IKAAHN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012865885 520848939 /nfs/dbraw/zinc/84/89/39/520848939.db2.gz SLTOBOOESMQMPQ-AFFJLAOCSA-N 0 3 444.015 5.082 50 0 biogenic IKAAHN CCC(=O)N1CCC[C@H](COc2cccc(CN3CCC(Cc4ccccc4)CC3)c2)C1 ZINC000012126751 521117216 /nfs/dbraw/zinc/11/72/16/521117216.db2.gz KZGAZXQKRLQHEH-SANMLTNESA-N 0 3 434.624 5.169 50 0 IKAAHN CCCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)[nH]1 ZINC000012298573 521293632 /nfs/dbraw/zinc/29/36/32/521293632.db2.gz SAPMSGUPRIQRAZ-UHFFFAOYSA-N 0 3 434.559 5.409 50 0 IKAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000020934746 521637278 /nfs/dbraw/zinc/63/72/78/521637278.db2.gz WCIVJDIJZVFCDT-JOCHJYFZSA-N 0 3 449.620 5.465 50 0 IKAAHN CCN1CCC[C@H]1CNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466701 521655521 /nfs/dbraw/zinc/65/55/21/521655521.db2.gz YXEJPUJCFYRZGO-KRWDZBQOSA-N 0 3 428.001 5.495 50 0 IKAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000020934753 521657717 /nfs/dbraw/zinc/65/77/17/521657717.db2.gz WCIVJDIJZVFCDT-QFIPXVFZSA-N 0 3 449.620 5.465 50 0 IKAAHN CCCn1ncc(CN2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C ZINC000012708208 521671934 /nfs/dbraw/zinc/67/19/34/521671934.db2.gz IZBOKJBNUSMJDY-SFHVURJKSA-N 0 3 436.522 5.251 50 0 IKAAHN CN(C)CCNC(=O)C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(F)cc1 ZINC000035768781 521777636 /nfs/dbraw/zinc/77/76/36/521777636.db2.gz VJJCINMTHCYJQY-RUZDIDTESA-N 0 3 443.566 5.029 50 0 IKAAHN CCc1cccc2c([C@@H](CC(=O)NCCN(C)C)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000035908247 521792832 /nfs/dbraw/zinc/79/28/32/521792832.db2.gz VXCQAOJVRXXQSJ-SFHVURJKSA-N 0 3 432.395 5.237 50 0 IKAAHN COC(=O)c1ccc(-c2nc(CN3CCCC[C@H]3CCc3ccc(O)cc3)c(C)o2)cc1 ZINC000012385555 521928732 /nfs/dbraw/zinc/92/87/32/521928732.db2.gz ALHJHBWKSPDDRG-QFIPXVFZSA-N 0 3 434.536 5.130 50 0 IKAAHN CC[C@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532216 522478966 /nfs/dbraw/zinc/47/89/66/522478966.db2.gz SODQEQCBYPCMJR-NRFANRHFSA-N 0 3 436.625 5.806 50 0 IKAAHN COc1cc(NC(=O)CC[C@H]2CCCN(Cc3ccc(SC)cc3)C2)cc(OC)c1 ZINC000012199631 522656098 /nfs/dbraw/zinc/65/60/98/522656098.db2.gz UYHSFJAANUQPPY-GOSISDBHSA-N 0 3 428.598 5.057 50 0 IKAAHN COCc1ccc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)o1 ZINC000012441107 522973997 /nfs/dbraw/zinc/97/39/97/522973997.db2.gz FPPXPTAGJUQXJI-NRFANRHFSA-N 0 3 443.547 5.425 50 0 IKAAHN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 ZINC000012570413 523139580 /nfs/dbraw/zinc/13/95/80/523139580.db2.gz SIXFFCZHJUWMHA-JOCHJYFZSA-N 0 3 430.548 5.222 50 0 IKAAHN COCCCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccc(C)cc1 ZINC000035841219 523264028 /nfs/dbraw/zinc/26/40/28/523264028.db2.gz VIFLKYJAQXZRKC-UHFFFAOYSA-N 0 3 430.514 5.902 50 0 IKAAHN CCc1ccc(NC(=O)CC2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 ZINC000021005932 523975278 /nfs/dbraw/zinc/97/52/78/523975278.db2.gz UQLWOPHKXPFBCE-XMMPIXPASA-N 0 3 438.531 5.024 50 0 IKAAHN COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 ZINC000012866316 524016269 /nfs/dbraw/zinc/01/62/69/524016269.db2.gz YEEQIDRCKNGTNY-BLPSWELGSA-N 0 3 449.591 5.605 50 0 biogenic IKAAHN COc1ccc(CN2CCC(c3n[nH]cc3-c3ccc4ccccc4c3)CC2)cc1OC ZINC000012246212 524023913 /nfs/dbraw/zinc/02/39/13/524023913.db2.gz YAUBUSQLZRZXFC-UHFFFAOYSA-N 0 3 427.548 5.627 50 0 IKAAHN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccs3)CC2)cc1OC ZINC000034682866 524338820 /nfs/dbraw/zinc/33/88/20/524338820.db2.gz DHHBLFHIXMQGQC-UHFFFAOYSA-N 0 3 436.577 5.077 50 0 IKAAHN Cc1ccc(CN(C(=O)Nc2ccc(C)c(F)c2)C2CCN(Cc3ccccc3)CC2)o1 ZINC000020532300 524356360 /nfs/dbraw/zinc/35/63/60/524356360.db2.gz HDTLBEGAYCXFHZ-UHFFFAOYSA-N 0 3 435.543 5.734 50 0 IKAAHN Cc1cccc(CN(C(=O)Nc2ccccc2C)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686861 524365838 /nfs/dbraw/zinc/36/58/38/524365838.db2.gz NLCRBHQQLCXDKH-UHFFFAOYSA-N 0 3 428.580 5.397 50 0 IKAAHN Cc1cccc(CN2CCC(c3nc(C)ccc3C(=O)NCCCc3ccccc3)CC2)c1 ZINC000034725780 524389139 /nfs/dbraw/zinc/38/91/39/524389139.db2.gz ZHFBXLGZKJDVDG-UHFFFAOYSA-N 0 3 441.619 5.441 50 0 IKAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cnc3ccccc3c2)CC1 ZINC000012458873 524449609 /nfs/dbraw/zinc/44/96/09/524449609.db2.gz OXVCOFXUJHXCDF-UHFFFAOYSA-N 0 3 445.607 5.254 50 0 IKAAHN Cc1ccc(CN2CC[C@H](CNC(=O)c3cc4cc5cc(C)ccc5nc4s3)C2)cc1 ZINC000021087488 524469329 /nfs/dbraw/zinc/46/93/29/524469329.db2.gz RTZOFWDMIIJJHO-HXUWFJFHSA-N 0 3 429.589 5.318 50 0 IKAAHN C[C@H](CNC(=O)c1cccs1)Oc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1 ZINC000012242885 524472622 /nfs/dbraw/zinc/47/26/22/524472622.db2.gz UDGYDILTLPOXTJ-LJQANCHMSA-N 0 3 445.588 5.126 50 0 IKAAHN COc1ccc(NC(=O)CCC2CCN(Cc3ccc(SC)cc3)CC2)c(OC)c1 ZINC000012589592 524475227 /nfs/dbraw/zinc/47/52/27/524475227.db2.gz YSQPLHZIIWKXTL-UHFFFAOYSA-N 0 3 428.598 5.057 50 0 IKAAHN COc1ccccc1NC(=O)[C@@H]1CC12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012124947 524620089 /nfs/dbraw/zinc/62/00/89/524620089.db2.gz WDLWSGGDXWFATL-FQEVSTJZSA-N 0 3 433.577 5.060 50 0 IKAAHN COc1ccccc1NC(=O)[C@H]1CC12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000012124958 524623748 /nfs/dbraw/zinc/62/37/48/524623748.db2.gz WDLWSGGDXWFATL-HXUWFJFHSA-N 0 3 433.577 5.060 50 0 IKAAHN COc1ccc(NC(=O)c2ccc(CN[C@@H](Cc3ccccc3)c3ccccc3)cc2)cc1 ZINC000012928393 524634013 /nfs/dbraw/zinc/63/40/13/524634013.db2.gz IVGPWCARMREURN-NDEPHWFRSA-N 0 3 436.555 6.021 50 0 IKAAHN C[C@@H](CNC(=O)c1cccs1)Oc1ccc(CN(C)Cc2ccc3ncccc3c2)cc1 ZINC000012242884 524725371 /nfs/dbraw/zinc/72/53/71/524725371.db2.gz UDGYDILTLPOXTJ-IBGZPJMESA-N 0 3 445.588 5.126 50 0 IKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)N4CCC(C)CC4)CC3)cc3ccccc32)cc1 ZINC000035451492 524766489 /nfs/dbraw/zinc/76/64/89/524766489.db2.gz BYHXZBMYCJJWPX-UHFFFAOYSA-N 0 3 443.635 5.469 50 0 IKAAHN Cc1ccccc1-c1cccc(CN2CCC3(C[C@@H]3C(=O)NCc3cccs3)CC2)c1 ZINC000012133041 525005708 /nfs/dbraw/zinc/00/57/08/525005708.db2.gz QIJHGXYCINTWFM-RUZDIDTESA-N 0 3 430.617 5.642 50 0 IKAAHN Cc1ccc(NC(=O)N(Cc2cccc(C)n2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000035686846 525115405 /nfs/dbraw/zinc/11/54/05/525115405.db2.gz ZUJOFBORBLMQCA-UHFFFAOYSA-N 0 3 428.580 5.397 50 0 IKAAHN Cc1cc(NC(=O)N2CCC[C@H](CN3CCc4ccccc4C3)C2)ccc1Br ZINC000020532117 525177427 /nfs/dbraw/zinc/17/74/27/525177427.db2.gz DBXGERCNGFUEJA-GOSISDBHSA-N 0 3 442.401 5.060 50 0 IKAAHN COc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454895 525212093 /nfs/dbraw/zinc/21/20/93/525212093.db2.gz GLTTWGVHQURKCX-GDLZYMKVSA-N 0 3 439.603 5.516 50 0 IKAAHN COc1ccc([C@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454900 525380375 /nfs/dbraw/zinc/38/03/75/525380375.db2.gz GLTTWGVHQURKCX-LJAQVGFWSA-N 0 3 439.603 5.516 50 0 IKAAHN Cc1cc(O[C@@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc(C(C)C)c1 ZINC000034727218 525380728 /nfs/dbraw/zinc/38/07/28/525380728.db2.gz QLYGAVWUTDKWGX-LJAQVGFWSA-N 0 3 428.620 6.451 50 0 IKAAHN Cc1[nH]c2c(cccc2C(=O)N(Cc2cccc(OC[C@H]3CCCN(C)C3)c2)C2CC2)c1C ZINC000014888482 525418398 /nfs/dbraw/zinc/41/83/98/525418398.db2.gz STAGANWJHWGPEU-QFIPXVFZSA-N 0 3 445.607 5.310 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@@H](c1ccccn1)N1CCCCC1 ZINC000021659651 525428873 /nfs/dbraw/zinc/42/88/73/525428873.db2.gz CCAUTHYYVFWCIA-HHHXNRCGSA-N 0 3 438.575 6.007 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@@H](c1ccccn1)N1CCCCC1 ZINC000021659632 525430121 /nfs/dbraw/zinc/43/01/21/525430121.db2.gz DXVSQQGCGWQSDZ-XMMPIXPASA-N 0 3 430.577 5.760 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1[C@H](c1ccccn1)N1CCCCC1 ZINC000021659638 525431213 /nfs/dbraw/zinc/43/12/13/525431213.db2.gz UYXDIKWCLXNSLV-SANMLTNESA-N 0 3 442.538 5.838 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@H](c1ccccn1)N1CCCCC1 ZINC000021805761 525431397 /nfs/dbraw/zinc/43/13/97/525431397.db2.gz GHNVHLSRSDHHJU-SANMLTNESA-N 0 3 442.538 5.838 50 0 IKAAHN COc1ccc2cc(-c3n[nH]cc3CN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2c1 ZINC000012194644 525619182 /nfs/dbraw/zinc/61/91/82/525619182.db2.gz SGQNOEYNEAFLSY-UHFFFAOYSA-N 0 3 447.966 5.376 50 0 IKAAHN Cc1c(C[NH2+]CCCN(Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025469 525724052 /nfs/dbraw/zinc/72/40/52/525724052.db2.gz PTEKBVTXPHUAON-UHFFFAOYSA-N 0 3 447.623 5.491 50 0 IKAAHN CSc1ccc(CN2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012244487 525994411 /nfs/dbraw/zinc/99/44/11/525994411.db2.gz MVQGDRAPHATWSW-KNQAVFIVSA-N 0 3 448.554 5.440 50 0 IKAAHN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNC[C@H](c1ccco1)N1CCCC1 ZINC000022918660 526286703 /nfs/dbraw/zinc/28/67/03/526286703.db2.gz CLQYBJAATWHCJL-JOCHJYFZSA-N 0 3 447.410 5.375 50 0 IKAAHN c1cn2c(CN3CCC(c4nc5ccccc5s4)CC3)c(-c3ccccc3)nc2s1 ZINC000012588919 526536359 /nfs/dbraw/zinc/53/63/59/526536359.db2.gz MOSBRVGFGZJQNM-UHFFFAOYSA-N 0 3 430.602 6.052 50 0 IKAAHN c1coc([C@@H](CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)N2CCCC2)c1 ZINC000022914107 526569481 /nfs/dbraw/zinc/56/94/81/526569481.db2.gz BAPLAPOUQXQROP-RUZDIDTESA-N 0 3 426.564 5.118 50 0 IKAAHN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000012869879 526610147 /nfs/dbraw/zinc/61/01/47/526610147.db2.gz NDVYIWVZBWARHI-UHFFFAOYSA-N 0 3 442.588 5.172 50 0 IKAAHN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000020706261 526727966 /nfs/dbraw/zinc/72/79/66/526727966.db2.gz RNDDLUNROFQYFX-OYRHEFFESA-N 0 3 445.607 5.391 50 0 IKAAHN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC([C@H](C)N2CCOCC2)CC1 ZINC000012478980 526729242 /nfs/dbraw/zinc/72/92/42/526729242.db2.gz CXMSCLBRCASJEM-NRFANRHFSA-N 0 3 445.607 5.250 50 0 IKAAHN Clc1ccccc1-c1nnc(-c2ccccc2CN2CCN(c3ccccc3)CC2)o1 ZINC000020853173 526986140 /nfs/dbraw/zinc/98/61/40/526986140.db2.gz WDLBOSXJNLXESC-UHFFFAOYSA-N 0 3 430.939 5.379 50 0 IKAAHN Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2cccc3cccnc32)C1 ZINC000020536949 527087787 /nfs/dbraw/zinc/08/77/87/527087787.db2.gz MORLFUIGVHAFLJ-JOCHJYFZSA-N 0 3 429.593 5.035 50 0 IKAAHN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000035373599 527348438 /nfs/dbraw/zinc/34/84/38/527348438.db2.gz OEGCSRYULCXXTQ-UHFFFAOYSA-N 0 3 447.579 5.290 50 0 IKAAHN CCCN1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c32)CC1 ZINC000013037927 534937961 /nfs/dbraw/zinc/93/79/61/534937961.db2.gz IFQWWZHITVUYEW-UHFFFAOYSA-N 0 3 447.073 5.786 50 0 IKAAHN Fc1cccc(-c2nnc([C@@H]3CC34CCN(Cc3ccc(F)c5cccnc35)CC4)o2)c1 ZINC000071890564 555746518 /nfs/dbraw/zinc/74/65/18/555746518.db2.gz ZUVCDFUXUWPOSW-FQEVSTJZSA-N 0 3 432.474 5.333 50 0 IKAAHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2ccc(C)cc2)Nc2ccccc2S3)cc1 ZINC000002229097 555760249 /nfs/dbraw/zinc/76/02/49/555760249.db2.gz PIPQZGCKBICZDC-HSZRJFAPSA-N 0 3 426.541 5.644 50 0 IKAAHN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000034671602 555793030 /nfs/dbraw/zinc/79/30/30/555793030.db2.gz BZGNDTZUVYELPW-VSGBNLITSA-N 0 3 442.603 5.436 50 0 IKAAHN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671686 555793203 /nfs/dbraw/zinc/79/32/03/555793203.db2.gz HMYDGHQJZPGQCZ-VSGBNLITSA-N 0 3 442.603 5.436 50 0 IKAAHN Cc1ccccc1[C@H]1CN(Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698749 555812465 /nfs/dbraw/zinc/81/24/65/555812465.db2.gz RYCIYFBAXZVXOO-GJZUVCINSA-N 0 3 434.555 5.494 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3ccccn3)C[C@@H]2c2ccccc2)cc1 ZINC000034698956 555812498 /nfs/dbraw/zinc/81/24/98/555812498.db2.gz HRYOTVQVQADQEG-XTEPFMGCSA-N 0 3 441.619 5.404 50 0 IKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698784 555812556 /nfs/dbraw/zinc/81/25/56/555812556.db2.gz ZWCOCJLHTMXBGQ-XNMGPUDCSA-N 0 3 444.594 5.901 50 0 IKAAHN CC(C)CN(C[C@H]1CN(Cc2ccco2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699031 555812794 /nfs/dbraw/zinc/81/27/94/555812794.db2.gz UZLQUDHJFTYUQQ-ZEQKJWHPSA-N 0 3 434.555 5.433 50 0 IKAAHN O=C(c1ccccc1)N(C[C@H]1CN(Cc2ccc[nH]2)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034699019 555812832 /nfs/dbraw/zinc/81/28/32/555812832.db2.gz XTXXUZNVFNJAAJ-LEAFIULHSA-N 0 3 441.619 5.705 50 0 IKAAHN CC(C)CN(C[C@@H]1CN(Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699036 555812848 /nfs/dbraw/zinc/81/28/48/555812848.db2.gz IKQVHZNUXVEFTF-RPLLCQBOSA-N 0 3 447.598 5.178 50 0 IKAAHN Cc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccc(C(C)C)cc3)CC2)nc1 ZINC000034681783 555815271 /nfs/dbraw/zinc/81/52/71/555815271.db2.gz XWMOTVPTKLLFJO-UHFFFAOYSA-N 0 3 442.607 5.478 50 0 IKAAHN Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)CN(Cc3ccccc3F)C2)c1 ZINC000034711420 555824404 /nfs/dbraw/zinc/82/44/04/555824404.db2.gz YBHSIBMBIOMRIC-DNQXCXABSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1cc([C@H]2C[C@H](C(=O)NCc3ccccc3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716627 555865756 /nfs/dbraw/zinc/86/57/56/555865756.db2.gz SQCNIMUXBLGGPT-ZEQRLZLVSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccccc3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716628 555865955 /nfs/dbraw/zinc/86/59/55/555865955.db2.gz SQCNIMUXBLGGPT-DNQXCXABSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000034730114 555869627 /nfs/dbraw/zinc/86/96/27/555869627.db2.gz UFDNIFQKAXHHNG-BKMJKUGQSA-N 0 3 449.614 5.704 50 0 IKAAHN Cc1ccccc1N1CCN(CC[C@H](Oc2ccc(F)cc2C)c2ccc(F)cc2)CC1 ZINC000034726652 555882032 /nfs/dbraw/zinc/88/20/32/555882032.db2.gz FTMKPWYYCHEGIQ-MHZLTWQESA-N 0 3 436.546 5.914 50 0 IKAAHN Cc1cc(O[C@H](CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc(C(C)C)c1 ZINC000034727221 555882457 /nfs/dbraw/zinc/88/24/57/555882457.db2.gz QLYGAVWUTDKWGX-GDLZYMKVSA-N 0 3 428.620 6.451 50 0 IKAAHN Cc1cc(CN2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3cccc(F)c3)C2)oc1C ZINC000034740454 555883704 /nfs/dbraw/zinc/88/37/04/555883704.db2.gz CPBCGTTWUREHCM-RDGATRHJSA-N 0 3 428.592 5.392 50 0 IKAAHN CC(=O)N(C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740727 555884103 /nfs/dbraw/zinc/88/41/03/555884103.db2.gz ZNWDLHREOQWNNJ-ILBGXUMGSA-N 0 3 440.578 5.670 50 0 IKAAHN C[C@@H](NC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1 ZINC000004575779 556002333 /nfs/dbraw/zinc/00/23/33/556002333.db2.gz FFOWQDDRXBXZSY-JOCHJYFZSA-N 0 3 428.576 5.355 50 0 IKAAHN COc1ccccc1CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004702181 556006644 /nfs/dbraw/zinc/00/66/44/556006644.db2.gz KQSFXDNGHZVKEB-UHFFFAOYSA-N 0 3 428.576 5.080 50 0 IKAAHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000004725526 556008189 /nfs/dbraw/zinc/00/81/89/556008189.db2.gz MFELZSOBTNRDDQ-UHFFFAOYSA-N 0 3 430.567 5.309 50 0 IKAAHN O=C([C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1)N1CCc2ccccc2C1 ZINC000005650093 556061677 /nfs/dbraw/zinc/06/16/77/556061677.db2.gz BFSXUYWOVSCLNN-VWLOTQADSA-N 0 3 426.560 5.276 50 0 IKAAHN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(C(C)C)CC2)cc1 ZINC000006832843 556105771 /nfs/dbraw/zinc/10/57/71/556105771.db2.gz AKVNLPAONHYBMO-JOCHJYFZSA-N 0 3 425.960 5.093 50 0 IKAAHN CC[C@H](NCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1 ZINC000002789233 556139035 /nfs/dbraw/zinc/13/90/35/556139035.db2.gz LFCWKFYAZKYDLW-SFHVURJKSA-N 0 3 444.398 5.560 50 0 IKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](NCC5CCCCC5)C4=O)cc3)sc2c1 ZINC000008414563 556167437 /nfs/dbraw/zinc/16/74/37/556167437.db2.gz OBQRXXDGKZFRBC-OAQYLSRUSA-N 0 3 433.577 5.074 50 0 IKAAHN COc1ccc(CCNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000008683704 556199597 /nfs/dbraw/zinc/19/95/97/556199597.db2.gz LISVZAAIAKHWGO-UHFFFAOYSA-N 0 3 442.603 5.122 50 0 IKAAHN Cc1cccc(CN(CCC(C)C)Cc2cccn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000004455187 556299395 /nfs/dbraw/zinc/29/93/95/556299395.db2.gz ACKDBFKPOGFTTB-UHFFFAOYSA-N 0 3 428.542 6.912 50 0 IKAAHN c1c(CN[C@@H](Cc2ccccc2)c2ccccc2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000032740425 556300457 /nfs/dbraw/zinc/30/04/57/556300457.db2.gz NBVZMKCIRQMPLU-NDEPHWFRSA-N 0 3 430.555 6.008 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013757482 556301096 /nfs/dbraw/zinc/30/10/96/556301096.db2.gz IZRGMSVRVHAMNO-DSNGMDLFSA-N 0 3 438.458 5.030 50 0 IKAAHN COc1ccc(CNCc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000010315662 556330941 /nfs/dbraw/zinc/33/09/41/556330941.db2.gz XIJDNGJEMAKHTP-UHFFFAOYSA-N 0 3 425.359 6.295 50 0 IKAAHN CCC[C@@H](NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1)c1ccccc1 ZINC000010436005 556334526 /nfs/dbraw/zinc/33/45/26/556334526.db2.gz IGHYYHXTBZAACW-HSZRJFAPSA-N 0 3 444.402 7.212 50 0 IKAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(-c3ccco3)c2)CC1)c1cccc(F)c1 ZINC000011769556 556350199 /nfs/dbraw/zinc/35/01/99/556350199.db2.gz NIYWPTURUUSOKG-UHFFFAOYSA-N 0 3 444.510 5.372 50 0 IKAAHN CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CCN(Cc2ccccc2)CC1 ZINC000011783917 556352065 /nfs/dbraw/zinc/35/20/65/556352065.db2.gz HDKIBDAWPRGYAC-DEOSSOPVSA-N 0 3 438.518 5.153 50 0 IKAAHN Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000011784043 556352072 /nfs/dbraw/zinc/35/20/72/556352072.db2.gz QUMCBIWMIKGKJX-AREMUKBSSA-N 0 3 434.555 5.323 50 0 IKAAHN FC(F)(F)c1cccc(-c2cncnc2C2CCN(Cc3cccc4c3OCO4)CC2)c1 ZINC000011814742 556357979 /nfs/dbraw/zinc/35/79/79/556357979.db2.gz BXJUFVXJPRWSAM-UHFFFAOYSA-N 0 3 441.453 5.271 50 0 IKAAHN COc1cc(C(=O)N(C)CC2CCN(CCc3cccc(C(F)(F)F)c3)CC2)ccc1C ZINC000011816369 556359125 /nfs/dbraw/zinc/35/91/25/556359125.db2.gz COXBRPPASOVKAC-UHFFFAOYSA-N 0 3 448.529 5.049 50 0 IKAAHN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000011818978 556361157 /nfs/dbraw/zinc/36/11/57/556361157.db2.gz ZAXTXGADGKKTMC-UHFFFAOYSA-N 0 3 447.476 5.052 50 0 IKAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN([C@H](C)Cc2cccc(C)n2)CC1 ZINC000011821400 556362755 /nfs/dbraw/zinc/36/27/55/556362755.db2.gz BUEFEBUWABPCKF-LJQANCHMSA-N 0 3 448.529 5.228 50 0 IKAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(C/C(C)=C/c3ccccc3)CC2)c1 ZINC000011844468 556367437 /nfs/dbraw/zinc/36/74/37/556367437.db2.gz YDEXCQLUPNLFAM-ZBJSNUHESA-N 0 3 440.587 6.116 50 0 IKAAHN COC(=O)c1sc2nc(CN(C)CC(C)C)ccc2c1NC(=O)c1ccc(C)cc1C ZINC000011880429 556372546 /nfs/dbraw/zinc/37/25/46/556372546.db2.gz IQFWAVRPPBBAJU-UHFFFAOYSA-N 0 3 439.581 5.040 50 0 IKAAHN C/C(=C\c1ccccc1)CN1CCC2(C[C@H]2C(=O)NCc2ccccc2C(F)(F)F)CC1 ZINC000011965606 556381911 /nfs/dbraw/zinc/38/19/11/556381911.db2.gz RZARQIUOSSTGJD-UWUFYVNFSA-N 0 3 442.525 5.527 50 0 IKAAHN Cc1ccc(CN2CCC3(C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)o1 ZINC000011998193 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5.098 50 0 IKAAHN COc1cccc(-c2nc3cc(Cl)ccc3cc2CN[C@H](C)c2cccs2)c1OC ZINC000064045189 556822517 /nfs/dbraw/zinc/82/25/17/556822517.db2.gz HJIRHJSFSAPRBI-OAHLLOKOSA-N 0 3 438.980 6.485 50 0 IKAAHN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019634651 556834423 /nfs/dbraw/zinc/83/44/23/556834423.db2.gz IMSXVDTWRPPSIK-UHFFFAOYSA-N 0 3 441.575 5.027 50 0 IKAAHN CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2OC)cc1 ZINC000019782348 556913830 /nfs/dbraw/zinc/91/38/30/556913830.db2.gz QJSBFADNJBPBQO-UHFFFAOYSA-N 0 3 449.547 5.076 50 0 biogenic IKAAHN CCOc1ccccc1O[C@@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019802163 556917789 /nfs/dbraw/zinc/91/77/89/556917789.db2.gz SJZMMVNKRFNDPW-SANMLTNESA-N 0 3 430.592 5.413 50 0 IKAAHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019808869 556918282 /nfs/dbraw/zinc/91/82/82/556918282.db2.gz WJZJPXVHFDBUDQ-HXUWFJFHSA-N 0 3 441.575 5.026 50 0 IKAAHN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019810072 556918934 /nfs/dbraw/zinc/91/89/34/556918934.db2.gz PKQVVKDTQRNDHG-UHFFFAOYSA-N 0 3 444.884 6.169 50 0 IKAAHN c1ccc(C(c2ccccc2)N2CCN(c3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000019897268 556940266 /nfs/dbraw/zinc/94/02/66/556940266.db2.gz YSBQNLORHAPVFB-UHFFFAOYSA-N 0 3 426.589 5.092 50 0 IKAAHN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)NCCN1CCCCC1 ZINC000019894315 556940363 /nfs/dbraw/zinc/94/03/63/556940363.db2.gz GROUGTZJBZASOF-UHFFFAOYSA-N 0 3 430.379 5.368 50 0 IKAAHN O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020026856 556967263 /nfs/dbraw/zinc/96/72/63/556967263.db2.gz ZWZYJYVTCBVAFV-UHFFFAOYSA-N 0 3 439.328 5.399 50 0 IKAAHN COc1ccc2[nH]c3c(c2c1)CCN=C3CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004728602 556976139 /nfs/dbraw/zinc/97/61/39/556976139.db2.gz WJWMOAITXKZSDD-UHFFFAOYSA-N 0 3 432.608 6.455 50 0 IKAAHN CC(C)CN(Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268799 556985837 /nfs/dbraw/zinc/98/58/37/556985837.db2.gz BKJMDYFQAPOHCR-UHFFFAOYSA-N 0 3 439.531 5.359 50 0 IKAAHN FC(F)(F)c1cccc(-c2c[nH]nc2C2CCN(Cc3cccc4c3OCO4)CC2)c1 ZINC000020206785 556998364 /nfs/dbraw/zinc/99/83/64/556998364.db2.gz FJOOREOGJGQRAA-UHFFFAOYSA-N 0 3 429.442 5.204 50 0 IKAAHN Cc1ccc2c(CN3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000020353103 557009520 /nfs/dbraw/zinc/00/95/20/557009520.db2.gz GHEFLDPCDGYUKM-UHFFFAOYSA-N 0 3 439.555 5.250 50 0 IKAAHN Cc1ccc2ccccc2c1CN1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000020439817 557016963 /nfs/dbraw/zinc/01/69/63/557016963.db2.gz QDXRKLSFXDUHBW-UHFFFAOYSA-N 0 3 428.605 5.354 50 0 IKAAHN CC[C@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055685 557027268 /nfs/dbraw/zinc/02/72/68/557027268.db2.gz BVEZEEDTQLRNPP-IBGZPJMESA-N 0 3 438.015 5.470 50 0 IKAAHN CCCCNC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055746 557027761 /nfs/dbraw/zinc/02/77/61/557027761.db2.gz OXJKTFGQMQYMBQ-UHFFFAOYSA-N 0 3 438.015 5.471 50 0 IKAAHN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 ZINC000017195758 557036544 /nfs/dbraw/zinc/03/65/44/557036544.db2.gz FKAJEUFWOXAABF-OKDJJFIVSA-N 0 3 429.645 5.386 50 0 IKAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000048286838 557053023 /nfs/dbraw/zinc/05/30/23/557053023.db2.gz AKQDKRQQYNFANV-LJQANCHMSA-N 0 3 426.517 5.033 50 0 IKAAHN C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 ZINC000017315059 557053092 /nfs/dbraw/zinc/05/30/92/557053092.db2.gz NAZIUVMMNIGKJD-SFHVURJKSA-N 0 3 447.380 5.607 50 0 IKAAHN O[C@H](c1cccs1)C1CCN(Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000023159376 557070146 /nfs/dbraw/zinc/07/01/46/557070146.db2.gz SAHSJPSXHNGDMA-SANMLTNESA-N 0 3 429.589 5.751 50 0 IKAAHN COc1ccc2[nH]c(CNCc3cn(-c4cccc(F)c4)nc3-c3ccc(C)o3)cc2c1 ZINC000023232091 557075503 /nfs/dbraw/zinc/07/55/03/557075503.db2.gz SCKSIPFPCOLBSB-UHFFFAOYSA-N 0 3 430.483 5.360 50 0 IKAAHN O=C(NCc1cccs1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535955 557110256 /nfs/dbraw/zinc/11/02/56/557110256.db2.gz AAXYWADZOIYSQX-UHFFFAOYSA-N 0 3 443.616 5.280 50 0 IKAAHN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000017970945 557134446 /nfs/dbraw/zinc/13/44/46/557134446.db2.gz ZVBJMQNTKVGGNM-PFBJBMPXSA-N 0 3 448.522 5.453 50 0 IKAAHN CN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000785865 557185802 /nfs/dbraw/zinc/18/58/02/557185802.db2.gz GWYRCAQGGDWYDK-UHFFFAOYSA-N 0 3 428.576 5.136 50 0 IKAAHN Cc1nc2sc3c(c2c(N2CCN(C(c4ccccc4)c4ccccc4)CC2)n1)CCC3 ZINC000025387663 557206868 /nfs/dbraw/zinc/20/68/68/557206868.db2.gz BCLQHPBJVUCGOI-UHFFFAOYSA-N 0 3 440.616 5.400 50 0 IKAAHN Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccccc2F)sc1C ZINC000011614258 557210827 /nfs/dbraw/zinc/21/08/27/557210827.db2.gz JEQKCRXMZKGMLZ-GOSISDBHSA-N 0 3 440.883 5.409 50 0 IKAAHN CCOc1cc([C@@H]2NC[C@H](c3ccccc3)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000025719470 557223298 /nfs/dbraw/zinc/22/32/98/557223298.db2.gz OTJQJEUYFTUZQO-LXFBAYGMSA-N 0 3 440.587 6.426 50 0 IKAAHN CCOc1cc([C@H]2NC[C@H](c3ccccc3)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000025719475 557223357 /nfs/dbraw/zinc/22/33/57/557223357.db2.gz OTJQJEUYFTUZQO-QDPGVEIFSA-N 0 3 440.587 6.426 50 0 IKAAHN COc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCCC2)cc1 ZINC000027583210 557266401 /nfs/dbraw/zinc/26/64/01/557266401.db2.gz MDHBJZCFSYVYRK-QHCPKHFHSA-N 0 3 434.580 5.714 50 0 IKAAHN O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H](c1cccs1)N1CCCC1 ZINC000027605669 557267545 /nfs/dbraw/zinc/26/75/45/557267545.db2.gz OSMCAJZOMIFZJT-GOSISDBHSA-N 0 3 432.014 5.021 50 0 IKAAHN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](NCC(C)C)c1ccccc1 ZINC000013121548 557296533 /nfs/dbraw/zinc/29/65/33/557296533.db2.gz RNLSOQASAFAKQL-JOCHJYFZSA-N 0 3 436.577 5.517 50 0 IKAAHN CC(C)CN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033069035 557323735 /nfs/dbraw/zinc/32/37/35/557323735.db2.gz RMLGJBPLVNFNBP-UHFFFAOYSA-N 0 3 445.632 6.205 50 0 IKAAHN Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1C ZINC000102694038 557364733 /nfs/dbraw/zinc/36/47/33/557364733.db2.gz JTNIFZSWZPIHRK-DNVJHFABSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1C ZINC000102694038 557364734 /nfs/dbraw/zinc/36/47/34/557364734.db2.gz JTNIFZSWZPIHRK-DNVJHFABSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1nc(CSc2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000023613014 557368720 /nfs/dbraw/zinc/36/87/20/557368720.db2.gz UIFOQCVXCRMRCE-UHFFFAOYSA-N 0 3 437.634 5.138 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000102717379 557375197 /nfs/dbraw/zinc/37/51/97/557375197.db2.gz LIEWMCGEEMYSGL-XPWALMASSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000102750013 557379164 /nfs/dbraw/zinc/37/91/64/557379164.db2.gz QMPCFFAWGGZZJL-CCDWMCETSA-N 0 3 440.543 5.344 50 0 IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000247882601 557389346 /nfs/dbraw/zinc/38/93/46/557389346.db2.gz RSUMDFBTCAAZNY-RXJWLBRNSA-N 0 3 443.031 5.085 50 0 IKAAHN N=C1SC(Cc2ccccc2)C(=O)N1c1ncc(Cc2cccc3ccccc32)s1 ZINC000011692942 557389832 /nfs/dbraw/zinc/38/98/32/557389832.db2.gz QLTNIGLDLZVWSU-OAQYLSRUSA-N 0 3 429.570 5.513 50 0 IKAAHN O=C(c1ccc(Cl)cc1)[C@@H]1CN(C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000103035116 557416389 /nfs/dbraw/zinc/41/63/89/557416389.db2.gz CPVHOEXRGVOAQJ-LADGPHEKSA-N 0 3 432.391 5.719 50 0 IKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000104052477 557449492 /nfs/dbraw/zinc/44/94/92/557449492.db2.gz ZLWQGNABQLEYHG-SHQCIBLASA-N 0 3 448.570 5.296 50 0 IKAAHN Cc1ccc(CN2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105042173 557473493 /nfs/dbraw/zinc/47/34/93/557473493.db2.gz SFWPBGNZGFMNNH-SHQCIBLASA-N 0 3 448.582 5.741 50 0 IKAAHN Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)CN(Cc3cccc(F)c3)C2)c1 ZINC000105044940 557474309 /nfs/dbraw/zinc/47/43/09/557474309.db2.gz ZJSKDGOQOFWAHE-LPPUWEFUSA-N 0 3 430.567 5.617 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000051329990 557497472 /nfs/dbraw/zinc/49/74/72/557497472.db2.gz LGKRFJCIXFSLEJ-AREMUKBSSA-N 0 3 425.576 5.894 50 0 IKAAHN CCN1CCC[C@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccccc1 ZINC000045944027 557552858 /nfs/dbraw/zinc/55/28/58/557552858.db2.gz HNPZYMYGHMVEIX-SFHVURJKSA-N 0 3 445.588 5.339 50 0 IKAAHN CCN1CCC[C@@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccccc1 ZINC000045944025 557552898 /nfs/dbraw/zinc/55/28/98/557552898.db2.gz HNPZYMYGHMVEIX-GOSISDBHSA-N 0 3 445.588 5.339 50 0 IKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 ZINC000008837187 562965184 /nfs/dbraw/zinc/96/51/84/562965184.db2.gz HPWJZRONDPQFTE-IBGZPJMESA-N 0 3 446.776 5.068 50 0 IKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc(F)cc2)c1 ZINC000032109691 568781466 /nfs/dbraw/zinc/78/14/66/568781466.db2.gz CYXJCTZIOLZPCY-RUZDIDTESA-N 0 3 432.495 5.138 50 0 biogenic IKAAHN CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000015679772 568805707 /nfs/dbraw/zinc/80/57/07/568805707.db2.gz CDJBTZHRSREPFL-UHFFFAOYSA-N 0 3 436.419 5.337 50 0 IKAAHN C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)[C@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000012244915 568819849 /nfs/dbraw/zinc/81/98/49/568819849.db2.gz QZPVXHSWRFPXNM-RXVVDRJESA-N 0 3 436.987 5.304 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2noc(-c3ccc(F)cc3)c2c1 ZINC000015785131 568829940 /nfs/dbraw/zinc/82/99/40/568829940.db2.gz NYFMVAFMQUAQLA-UHFFFAOYSA-N 0 3 429.495 5.028 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000101886603 568837212 /nfs/dbraw/zinc/83/72/12/568837212.db2.gz AYMQJCUBXGBAEU-QHAWAJNXSA-N 0 3 439.298 5.045 50 0 IKAAHN C[C@@H](CCc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068898 568843335 /nfs/dbraw/zinc/84/33/35/568843335.db2.gz BHFSROXRTYADKB-QHCPKHFHSA-N 0 3 433.039 6.394 50 0 IKAAHN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000015859308 568847150 /nfs/dbraw/zinc/84/71/50/568847150.db2.gz VICURVRTNFROQU-VWLOTQADSA-N 0 3 444.531 6.108 50 0 IKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1)N1CCCCCC1 ZINC000015865823 568850473 /nfs/dbraw/zinc/85/04/73/568850473.db2.gz JUHNIKYQTLLKPK-UHFFFAOYSA-N 0 3 429.608 5.304 50 0 IKAAHN Cc1cc(C)c(-n2nnnc2[C@@H](NCCc2c[nH]c3ccccc23)[C@H]2CC=CCC2)c(C)c1 ZINC000575443627 568869641 /nfs/dbraw/zinc/86/96/41/568869641.db2.gz FCBYSFGHHOOPAD-OFVILXPXSA-N 0 3 440.595 5.299 50 0 IKAAHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCc1nc2ccccc2n1C(C)C ZINC000089520831 568929876 /nfs/dbraw/zinc/92/98/76/568929876.db2.gz KIFQYRMLAQQSAG-UHFFFAOYSA-N 0 3 436.003 5.465 50 0 IKAAHN Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCN(C4CCCCC4)CC3)n2)cc1 ZINC000064677205 568943988 /nfs/dbraw/zinc/94/39/88/568943988.db2.gz UPGOYLMVFPGTNV-UHFFFAOYSA-N 0 3 448.636 5.064 50 0 IKAAHN CC(C)C(=O)N(CCN1CCCCC1)Cc1csc(COc2ccccc2C(C)C)n1 ZINC000036116609 568955789 /nfs/dbraw/zinc/95/57/89/568955789.db2.gz GRGSEHUGTYLXCB-UHFFFAOYSA-N 0 3 443.657 5.316 50 0 IKAAHN COc1cccc([C@@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000169679931 568990418 /nfs/dbraw/zinc/99/04/18/568990418.db2.gz GIXYHFPBYHIBKI-RDGATRHJSA-N 0 3 429.004 5.069 50 0 IKAAHN Cc1ccc(CN2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)o1 ZINC000169679887 568991288 /nfs/dbraw/zinc/99/12/88/568991288.db2.gz IPEOCWLBZFFVSE-AHKZPQOWSA-N 0 3 430.592 5.663 50 0 IKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@@H](C)O ZINC000036301738 568994069 /nfs/dbraw/zinc/99/40/69/568994069.db2.gz AYOKWNUILLCMKY-GOSISDBHSA-N 0 3 427.976 5.465 50 0 IKAAHN CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304616 568994815 /nfs/dbraw/zinc/99/48/15/568994815.db2.gz CFMWBCFZEFKIPH-QHCPKHFHSA-N 0 3 449.595 5.355 50 0 IKAAHN CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305122 568994919 /nfs/dbraw/zinc/99/49/19/568994919.db2.gz MKIMOVFFRNCJCS-OAQYLSRUSA-N 0 3 439.987 5.658 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305042 568994995 /nfs/dbraw/zinc/99/49/95/568994995.db2.gz DWQWFVGXAHDWLE-HXUWFJFHSA-N 0 3 439.987 5.516 50 0 IKAAHN CCC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306246 568995377 /nfs/dbraw/zinc/99/53/77/568995377.db2.gz QKSFCSIAEGGXNL-OAQYLSRUSA-N 0 3 437.584 5.261 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@H](C)O ZINC000036316457 568999899 /nfs/dbraw/zinc/99/98/99/568999899.db2.gz IFWLKBGIXGIKNV-IBGZPJMESA-N 0 3 425.548 5.205 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341945 569079667 /nfs/dbraw/zinc/07/96/67/569079667.db2.gz YYOQSUYPECHQKI-JOCHJYFZSA-N 0 3 442.003 5.855 50 0 IKAAHN CCOc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036344168 569080018 /nfs/dbraw/zinc/08/00/18/569080018.db2.gz HATRIGRXRWXCQJ-VWLOTQADSA-N 0 3 449.595 5.036 50 0 IKAAHN CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036344038 569080125 /nfs/dbraw/zinc/08/01/25/569080125.db2.gz FGCGLJYAVFQICN-SANMLTNESA-N 0 3 449.595 5.036 50 0 IKAAHN CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346217 569081154 /nfs/dbraw/zinc/08/11/54/569081154.db2.gz CQFPJYLGLUTQFX-QHCPKHFHSA-N 0 3 439.575 5.731 50 0 IKAAHN CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346421 569081243 /nfs/dbraw/zinc/08/12/43/569081243.db2.gz URYJXRSUUCKHEY-QHCPKHFHSA-N 0 3 437.559 5.485 50 0 IKAAHN Cn1cc(CN2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)c2cc(Cl)ccc21 ZINC000065060084 569095763 /nfs/dbraw/zinc/09/57/63/569095763.db2.gz PJJCDOFGDDHXMH-XMMPIXPASA-N 0 3 435.999 5.238 50 0 IKAAHN CC(C)[C@@H](NC(=O)C1CCN(Cc2cn(C)c3ccc(Cl)cc23)CC1)c1cccs1 ZINC000065060080 569095859 /nfs/dbraw/zinc/09/58/59/569095859.db2.gz ZAAWFRXVOOPXHA-HSZRJFAPSA-N 0 3 444.044 5.619 50 0 IKAAHN CC(C)CC[C@H](NC(=O)NC1CCCC1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877438 569095985 /nfs/dbraw/zinc/09/59/85/569095985.db2.gz HKXRXIICZVWCRC-FQEVSTJZSA-N 0 3 428.646 5.246 50 0 IKAAHN Cc1ccc(CN(C(=O)Nc2cc(C)cc(C)c2)C2CCN(Cc3ccccc3)CC2)o1 ZINC000006877653 569096183 /nfs/dbraw/zinc/09/61/83/569096183.db2.gz PBFGIMREHHPHFY-UHFFFAOYSA-N 0 3 431.580 5.904 50 0 IKAAHN CC1CCN([C@H](CNC(=O)Cc2csc(-c3ccsc3)n2)c2cccs2)CC1 ZINC000036395312 569098719 /nfs/dbraw/zinc/09/87/19/569098719.db2.gz SQDHASJEKBGIJK-GOSISDBHSA-N 0 3 431.652 5.065 50 0 IKAAHN C[C@H]1[C@H](c2ccccc2)N(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239338723 569138901 /nfs/dbraw/zinc/13/89/01/569138901.db2.gz LBMQWGLSKLHDSA-QWZKXEKUSA-N 0 3 445.606 7.163 50 0 IKAAHN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000002087637 569178386 /nfs/dbraw/zinc/17/83/86/569178386.db2.gz LCHQKKCWNVVBHJ-CEGFDSHFSA-N 0 3 441.656 5.552 50 0 biogenic IKAAHN COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000037560055 569200872 /nfs/dbraw/zinc/20/08/72/569200872.db2.gz LBCWDMMXYOTEIV-UHFFFAOYSA-N 0 3 428.576 5.623 50 0 IKAAHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000239287389 569268763 /nfs/dbraw/zinc/26/87/63/569268763.db2.gz CRQSSISIXUBQTB-DRSQSWENSA-N 0 3 444.377 6.678 50 0 IKAAHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 ZINC000239287388 569268804 /nfs/dbraw/zinc/26/88/04/569268804.db2.gz CRQSSISIXUBQTB-CGRZDAIDSA-N 0 3 444.377 6.678 50 0 IKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000239310103 569268813 /nfs/dbraw/zinc/26/88/13/569268813.db2.gz IBNCSKDJHIAUMN-WIYYLYMNSA-N 0 3 433.379 5.295 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000245325653 569269828 /nfs/dbraw/zinc/26/98/28/569269828.db2.gz GWFDKPXTLMKEHJ-SFHLNBCPSA-N 0 3 439.298 5.045 50 0 IKAAHN CC1CCN([C@@H](CNC(=O)CCc2ncc(-c3ccccc3F)o2)c2cccs2)CC1 ZINC000027575197 569273901 /nfs/dbraw/zinc/27/39/01/569273901.db2.gz FVOCUZQUCNMMBJ-FQEVSTJZSA-N 0 3 441.572 5.064 50 0 IKAAHN CC1CCN([C@H](CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c2cccs2)CC1 ZINC000027575175 569273933 /nfs/dbraw/zinc/27/39/33/569273933.db2.gz LKUCFZXJJXVBDA-HXUWFJFHSA-N 0 3 441.572 5.064 50 0 IKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2ccccc2F)N1c1nc2ccc(F)cc2s1 ZINC000002334224 569274243 /nfs/dbraw/zinc/27/42/43/569274243.db2.gz WVOVVOWYZKLBPF-HXUWFJFHSA-N 0 3 446.434 5.431 50 0 IKAAHN COc1ccc(OC)c(-c2nc3cc(SC)ccc3cc2CNCc2cccs2)c1 ZINC000299767549 569283659 /nfs/dbraw/zinc/28/36/59/569283659.db2.gz IGISDSDYOPBLBI-UHFFFAOYSA-N 0 3 436.602 5.992 50 0 IKAAHN COc1cc(CNCc2cc3cc(C)ccc3nc2-c2ccccc2OC)cc(OC)c1 ZINC000299770742 569283731 /nfs/dbraw/zinc/28/37/31/569283731.db2.gz MICJGYHNJLEHTB-UHFFFAOYSA-N 0 3 428.532 5.526 50 0 IKAAHN CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002352965 569284581 /nfs/dbraw/zinc/28/45/81/569284581.db2.gz QBNYOJCNVDGMMD-HXUWFJFHSA-N 0 3 444.537 5.776 50 0 IKAAHN Clc1cccc(Cl)c1CN1CCC(c2cc(-c3cccc4ccccc43)[nH]n2)CC1 ZINC000012961370 569305455 /nfs/dbraw/zinc/30/54/55/569305455.db2.gz VTALGSJBDKQOPS-UHFFFAOYSA-N 0 3 436.386 6.916 50 0 IKAAHN COc1ccc(CCN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000013096359 569309546 /nfs/dbraw/zinc/30/95/46/569309546.db2.gz TWJGXUQCSVZPPT-QFIPXVFZSA-N 0 3 428.454 5.226 50 0 IKAAHN COc1ccc(CCN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000013096358 569309566 /nfs/dbraw/zinc/30/95/66/569309566.db2.gz TWJGXUQCSVZPPT-JOCHJYFZSA-N 0 3 428.454 5.226 50 0 IKAAHN Clc1cccc(NCc2nnc(SCCN3CCCCC3)n2-c2ccccc2)c1 ZINC000013389625 569315296 /nfs/dbraw/zinc/31/52/96/569315296.db2.gz IUDNWDZOGKXPPH-UHFFFAOYSA-N 0 3 428.005 5.111 50 0 IKAAHN C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OCN2C1 ZINC000070691808 569315475 /nfs/dbraw/zinc/31/54/75/569315475.db2.gz GRMUAQMHJKQVFL-AFMXNGOSSA-N 0 3 427.673 5.629 50 0 biogenic IKAAHN CCCCc1c(C)c(/C=C2/C=CC=N2)[nH]c1CC1=N/C(=C\c2ccc[nH]2)C(C)=C1CCCC ZINC000020111381 569334568 /nfs/dbraw/zinc/33/45/68/569334568.db2.gz SVQWEGUYCKGEFO-NLIPIICASA-N 0 3 440.635 7.520 50 0 biogenic IKAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020237354 569357457 /nfs/dbraw/zinc/35/74/57/569357457.db2.gz HGGRENONTQIFOX-UHFFFAOYSA-N 0 3 428.319 5.170 50 0 IKAAHN OC(CNCc1cccc(C(F)(F)F)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365333 569361966 /nfs/dbraw/zinc/36/19/66/569361966.db2.gz ZKAIRLPTRCSKPQ-UHFFFAOYSA-N 0 3 440.292 6.038 50 0 IKAAHN Cc1ccccc1C(=O)N1C(=S)C(c2ccc(Cl)cc2)=NC12CCN(C(C)C)CC2 ZINC000020436150 569365400 /nfs/dbraw/zinc/36/54/00/569365400.db2.gz UMBCPDYWYGEFOR-UHFFFAOYSA-N 0 3 440.012 5.121 50 0 IKAAHN CC(=O)O[C@H](c1cccc(N(Cc2ccccc2)C(C)=O)c1)C(C)(C)NCc1ccccc1 ZINC000096028148 569380953 /nfs/dbraw/zinc/38/09/53/569380953.db2.gz YVDGMXCQDZVZHT-HHHXNRCGSA-N 0 3 444.575 5.412 50 0 IKAAHN Cc1ncc(CN2CCCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116531 569383791 /nfs/dbraw/zinc/38/37/91/569383791.db2.gz IGNABTRSSUDIGA-UHFFFAOYSA-N 0 3 428.532 5.774 50 0 biogenic IKAAHN Cc1ccc(N2C(=O)C3=C(C(c4ccccc4)=NCCN3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000096300321 569392055 /nfs/dbraw/zinc/39/20/55/569392055.db2.gz LNRBMBRIGLBCPC-RUZDIDTESA-N 0 3 427.935 5.083 50 0 IKAAHN Cc1ccc(N2C(=O)C3=C(C(c4ccccc4)=NCCN3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000096300322 569392088 /nfs/dbraw/zinc/39/20/88/569392088.db2.gz LNRBMBRIGLBCPC-VWLOTQADSA-N 0 3 427.935 5.083 50 0 IKAAHN O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225689194 569407207 /nfs/dbraw/zinc/40/72/07/569407207.db2.gz LLKNIXJHPNZHIB-UHFFFAOYSA-N 0 3 436.552 5.342 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000230020898 569417779 /nfs/dbraw/zinc/41/77/79/569417779.db2.gz GCVWRKJCELMRCW-QXAKKESOSA-N 0 3 445.327 5.106 50 0 IKAAHN CCOc1ccc(-c2cc(C(=O)NCCN(C)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000003044904 569438592 /nfs/dbraw/zinc/43/85/92/569438592.db2.gz LRRNWPPYIQSQDG-UHFFFAOYSA-N 0 3 439.559 5.162 50 0 IKAAHN Cc1ccccc1[C@H]1CN(Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000230155072 569439616 /nfs/dbraw/zinc/43/96/16/569439616.db2.gz ZWCOCJLHTMXBGQ-BDYUSTAISA-N 0 3 444.594 5.901 50 0 IKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1C(F)(F)F ZINC000057622103 569440414 /nfs/dbraw/zinc/44/04/14/569440414.db2.gz ONAYYTHDEHNADY-UHFFFAOYSA-N 0 3 439.481 5.280 50 0 IKAAHN CCOC(=O)c1cc2cc(OC)ccc2n1CCN(Cc1ccccc1)Cc1ccccc1 ZINC000057988408 569444022 /nfs/dbraw/zinc/44/40/22/569444022.db2.gz ZKVAUBVVZOKEPH-UHFFFAOYSA-N 0 3 442.559 5.529 50 0 IKAAHN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)N[C@H]1CCCc2ccccc21 ZINC000058160832 569449216 /nfs/dbraw/zinc/44/92/16/569449216.db2.gz SKVOWOZHDCFSEZ-VGSWGCGISA-N 0 3 448.588 5.586 50 0 IKAAHN COc1ccc(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)cc1Cl ZINC000003665627 569456014 /nfs/dbraw/zinc/45/60/14/569456014.db2.gz KEGIPDJALDWISB-UHFFFAOYSA-N 0 3 438.062 5.485 50 0 IKAAHN COc1cc(Cl)c(C)cc1NC(=S)N(CCCN1CCCCC1)Cc1ccco1 ZINC000003665679 569456016 /nfs/dbraw/zinc/45/60/16/569456016.db2.gz AVKLDXCPGPOSGP-UHFFFAOYSA-N 0 3 436.021 5.325 50 0 IKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C=C12 ZINC000004082830 569458691 /nfs/dbraw/zinc/45/86/91/569458691.db2.gz OESKVACCFMXCQV-BUDALPMNSA-N 0 3 429.604 6.003 50 0 biogenic IKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000004085535 569458809 /nfs/dbraw/zinc/45/88/09/569458809.db2.gz BJCHICZXAWGDFL-WXLUIRDFSA-N 0 3 426.000 5.743 50 0 biogenic IKAAHN O=C(Nc1sc2c(c1[C@H](c1cccs1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038546145 569463405 /nfs/dbraw/zinc/46/34/05/569463405.db2.gz QLEFLUBNRVQGGP-NRFANRHFSA-N 0 3 426.607 6.109 50 0 IKAAHN COc1ccccc1[C@H](c1c(C)c(C)sc1NC(=O)c1cccs1)N1CCCC1 ZINC000038546853 569463820 /nfs/dbraw/zinc/46/38/20/569463820.db2.gz ROHZSTRJCZOQAP-OAQYLSRUSA-N 0 3 426.607 5.873 50 0 IKAAHN O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008863176 569480216 /nfs/dbraw/zinc/48/02/16/569480216.db2.gz KFDDKRFTGQOBPE-GOSISDBHSA-N 0 3 427.397 5.167 50 0 IKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)N2CCCC2)c1C ZINC000008763382 569474446 /nfs/dbraw/zinc/47/44/46/569474446.db2.gz NUUNZBVMYBPLNH-FQEVSTJZSA-N 0 3 446.519 5.997 50 0 IKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNCc1ccco1 ZINC000008985849 569494824 /nfs/dbraw/zinc/49/48/24/569494824.db2.gz FBDWANCKLFRVKK-XMMPIXPASA-N 0 3 436.555 6.027 50 0 IKAAHN COc1cccc([C@@H]2CN(Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000245279036 569502015 /nfs/dbraw/zinc/50/20/15/569502015.db2.gz AWVONRIQQGFJOA-UPVQGACJSA-N 0 3 428.642 5.113 50 0 IKAAHN Cc1ccc(CN2C[C@@H](c3ccc(C)cc3)[C@H](CN(C(=O)c3ccccc3)C(C)C)C2)o1 ZINC000245327073 569503709 /nfs/dbraw/zinc/50/37/09/569503709.db2.gz IPEOCWLBZFFVSE-BDYUSTAISA-N 0 3 430.592 5.663 50 0 IKAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Cl)c2C)C1 ZINC000009151118 569507351 /nfs/dbraw/zinc/50/73/51/569507351.db2.gz IWQDZEPEZCPKDV-UHFFFAOYSA-N 0 3 428.989 5.200 50 0 IKAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000009151111 569507400 /nfs/dbraw/zinc/50/74/00/569507400.db2.gz AXAMYFREZPPFRQ-UHFFFAOYSA-N 0 3 428.989 5.200 50 0 IKAAHN COc1ccccc1NC(=O)N(Cc1ccc(C)o1)C1CCN(Cc2ccccc2)CC1 ZINC000009151161 569507434 /nfs/dbraw/zinc/50/74/34/569507434.db2.gz UAMAEICOQJGXHX-UHFFFAOYSA-N 0 3 433.552 5.295 50 0 IKAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCC[C@@H]3C)cc2)nc1COc1ccc(C)cc1 ZINC000009211879 569511887 /nfs/dbraw/zinc/51/18/87/569511887.db2.gz LWEYTEQLGHTZHY-FQEVSTJZSA-N 0 3 447.579 5.142 50 0 IKAAHN Cc1cc(C)c2c(n1)sc(C(=O)NC1CCN(Cc3ccccc3)CC1)c2-n1cccc1 ZINC000009251897 569515958 /nfs/dbraw/zinc/51/59/58/569515958.db2.gz FVXSJVQVHYVGPQ-UHFFFAOYSA-N 0 3 444.604 5.098 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 ZINC000009272470 569517951 /nfs/dbraw/zinc/51/79/51/569517951.db2.gz RRWMNGIIWKLPLX-KRWDZBQOSA-N 0 3 446.414 5.255 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000009272518 569517954 /nfs/dbraw/zinc/51/79/54/569517954.db2.gz MBWACYIAXKKYPA-MHZLTWQESA-N 0 3 437.587 6.098 50 0 IKAAHN Cc1sc(NC(=O)c2ccc(CN(C)C)cc2)nc1-c1ccc(Br)cc1 ZINC000009336472 569523408 /nfs/dbraw/zinc/52/34/08/569523408.db2.gz NSBQVRFJUPFIFS-UHFFFAOYSA-N 0 3 430.371 5.195 50 0 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569537725 /nfs/dbraw/zinc/53/77/25/569537725.db2.gz LYAFYQNRRPGASI-KRWDZBQOSA-N 0 3 434.565 5.076 50 0 IKAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccco3)sc2c1 ZINC000009487373 569539718 /nfs/dbraw/zinc/53/97/18/569539718.db2.gz SUYWZCDELFKWRK-HXUWFJFHSA-N 0 3 444.468 5.144 50 0 IKAAHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000009489471 569539994 /nfs/dbraw/zinc/53/99/94/569539994.db2.gz LRMCRWGIYVPYMQ-HSZRJFAPSA-N 0 3 438.593 6.040 50 0 IKAAHN Cc1ccc(-c2onc3ccc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc32)cc1 ZINC000009528967 569544755 /nfs/dbraw/zinc/54/47/55/569544755.db2.gz DFHNJBXQSRLPJG-UHFFFAOYSA-N 0 3 425.532 5.198 50 0 IKAAHN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)c2cccnc2)cc1F ZINC000009671272 569558503 /nfs/dbraw/zinc/55/85/03/569558503.db2.gz GZCLNJANINAVPK-HXUWFJFHSA-N 0 3 444.554 6.103 50 0 IKAAHN CCN(CC)CCOC(=O)c1ccc(Nc2c3c(nc4ccc(Cl)cc42)CCC3)cc1 ZINC000009693771 569561187 /nfs/dbraw/zinc/56/11/87/569561187.db2.gz LUOBWZIKJPIMIN-UHFFFAOYSA-N 0 3 437.971 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/nfs/dbraw/zinc/27/47/81/518274781.db2.gz RZVREZBKURXSKY-LJQANCHMSA-N 0 3 438.559 5.356 50 0 IKAAHN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000012439142 519608799 /nfs/dbraw/zinc/60/87/99/519608799.db2.gz MKJQURRFLSEDDX-UHFFFAOYSA-N 0 3 428.580 5.276 50 0 IKAAHN CC(C)[C@@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844681 519791329 /nfs/dbraw/zinc/79/13/29/519791329.db2.gz QYZNZAVEHHRWEK-LJQANCHMSA-N 0 3 432.505 6.741 50 0 IKAAHN CCCCN(CCNc1ncnc2onc(-c3cccc(Cl)c3)c21)Cc1ccco1 ZINC000021650600 520507231 /nfs/dbraw/zinc/50/72/31/520507231.db2.gz AIKPEFGCQUMNAO-UHFFFAOYSA-N 0 3 425.920 5.245 50 0 IKAAHN CCN(CC)CCN(C(=O)c1cccc(C)c1)c1nc2ccc(Br)cc2s1 ZINC000012140843 520638542 /nfs/dbraw/zinc/63/85/42/520638542.db2.gz JYELCPCKQPNJNO-UHFFFAOYSA-N 0 3 446.414 5.356 50 0 IKAAHN CCOc1cc([C@@H]2NC[C@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OC ZINC000012683089 520777564 /nfs/dbraw/zinc/77/75/64/520777564.db2.gz WGCZLEVZAYUPRK-RLWLMLJZSA-N 0 3 428.532 5.408 50 0 IKAAHN CCCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)[nH]1 ZINC000012433773 521294769 /nfs/dbraw/zinc/29/47/69/521294769.db2.gz IJSIPVRGSIQZJI-UHFFFAOYSA-N 0 3 446.595 5.279 50 0 IKAAHN CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000012591704 521407506 /nfs/dbraw/zinc/40/75/06/521407506.db2.gz CSNQUGRTQLVBDB-UHFFFAOYSA-N 0 3 449.016 5.614 50 0 IKAAHN CCOc1ccccc1CN1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012197763 521483359 /nfs/dbraw/zinc/48/33/59/521483359.db2.gz HZSHYGKIHGJILE-UHFFFAOYSA-N 0 3 446.595 5.080 50 0 IKAAHN CCOc1ccccc1CN1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012302535 521484131 /nfs/dbraw/zinc/48/41/31/521484131.db2.gz FGFHQTRMJQCAIR-SFHVURJKSA-N 0 3 430.976 5.378 50 0 IKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NC2CCCC2)C1 ZINC000020532205 521724658 /nfs/dbraw/zinc/72/46/58/521724658.db2.gz JOGXTVLTLGVFAQ-OAQYLSRUSA-N 0 3 442.673 5.636 50 0 IKAAHN CCc1ccccc1NC(=O)N[C@H](CC)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532219 521897185 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526133371 /nfs/dbraw/zinc/13/33/71/526133371.db2.gz HQHINDGRUKOIOE-UHFFFAOYSA-N 0 3 432.593 5.239 50 0 IKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000035569250 526213993 /nfs/dbraw/zinc/21/39/93/526213993.db2.gz IBNCSKDJHIAUMN-NQIIRXRSSA-N 0 3 433.379 5.295 50 0 IKAAHN Cc1csc(CNC2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)n1 ZINC000012246737 526355899 /nfs/dbraw/zinc/35/58/99/526355899.db2.gz SYYFWSAUAJCRMK-UHFFFAOYSA-N 0 3 448.636 5.172 50 0 IKAAHN c1ccc(COc2ccc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000022927290 526473941 /nfs/dbraw/zinc/47/39/41/526473941.db2.gz BFAGILBKTHWRQD-UHFFFAOYSA-N 0 3 448.610 6.173 50 0 IKAAHN O=C(CC[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1)NCc1ccccc1Cl ZINC000012305938 526554476 /nfs/dbraw/zinc/55/44/76/526554476.db2.gz MYEWOESSJMOTGC-IBGZPJMESA-N 0 3 436.987 5.039 50 0 IKAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000020237345 526846191 /nfs/dbraw/zinc/84/61/91/526846191.db2.gz NBNYRJGWLBVEIW-UHFFFAOYSA-N 0 3 428.319 5.170 50 0 IKAAHN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)NCCN1CCCCC1 ZINC000035888565 527098905 /nfs/dbraw/zinc/09/89/05/527098905.db2.gz FIMGDYRTNWCLBP-OAQYLSRUSA-N 0 3 443.513 5.311 50 0 IKAAHN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(Cc2ccc(O)cc2)CC1 ZINC000012473851 527141082 /nfs/dbraw/zinc/14/10/82/527141082.db2.gz HSNRGRJYMJCSCN-UHFFFAOYSA-N 0 3 427.504 5.051 50 0 IKAAHN Cn1cc(CN2CCC([C@@H](O)c3ccccn3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012319952 527197117 /nfs/dbraw/zinc/19/71/17/527197117.db2.gz XARPBTFBQZWOLH-MUUNZHRXSA-N 0 3 444.623 5.475 50 0 IKAAHN O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2cccc(-c3ccco3)c2)CC1 ZINC000012835842 527312579 /nfs/dbraw/zinc/31/25/79/527312579.db2.gz YKOPSUAVTLWBHH-UHFFFAOYSA-N 0 3 443.572 5.921 50 0 IKAAHN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000012307972 527433854 /nfs/dbraw/zinc/43/38/54/527433854.db2.gz JMCDKRUGWXELCN-KOXUSJRISA-N 0 3 431.511 5.377 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCc3ccccc32)s1 ZINC000020985819 527531890 /nfs/dbraw/zinc/53/18/90/527531890.db2.gz IIUAWSFTGDCCME-UHFFFAOYSA-N 0 3 431.605 5.227 50 0 IKAAHN O=C(CN1CCCCCC1)N1CCn2c3ccc(C4CCCCC4)cc3c3c2[C@@H]1CCC3 ZINC000000754173 555553863 /nfs/dbraw/zinc/55/38/63/555553863.db2.gz UREVDDNGVVTZGZ-SANMLTNESA-N 0 3 433.640 5.785 50 0 IKAAHN CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000001448839 555699537 /nfs/dbraw/zinc/69/95/37/555699537.db2.gz ZPNVPXINAFMWKW-QHCPKHFHSA-N 0 3 438.593 6.184 50 0 IKAAHN Fc1cccc(-c2nnc([C@H]3CC34CCN(Cc3ccc(F)c5cccnc35)CC4)o2)c1 ZINC000071890565 555746861 /nfs/dbraw/zinc/74/68/61/555746861.db2.gz ZUVCDFUXUWPOSW-HXUWFJFHSA-N 0 3 432.474 5.333 50 0 IKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NC5CCCCCCC5)C4=O)cc3)sc2c1 ZINC000002152642 555750058 /nfs/dbraw/zinc/75/00/58/555750058.db2.gz VFKPWYBLEXOGSV-QFIPXVFZSA-N 0 3 447.604 5.606 50 0 IKAAHN COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000002177973 555752695 /nfs/dbraw/zinc/75/26/95/555752695.db2.gz LOGJTFUBUPRCNQ-MRXNPFEDSA-N 0 3 444.344 6.027 50 0 IKAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000002177974 555752734 /nfs/dbraw/zinc/75/27/34/555752734.db2.gz DMEJWDPKCIUKQG-KRWDZBQOSA-N 0 3 426.354 5.888 50 0 IKAAHN CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000034671595 555793009 /nfs/dbraw/zinc/79/30/09/555793009.db2.gz BZGNDTZUVYELPW-NSOVKSMOSA-N 0 3 442.603 5.436 50 0 IKAAHN CCN(C)C(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1)CC2 ZINC000034671567 555793066 /nfs/dbraw/zinc/79/30/66/555793066.db2.gz ROOMXRGYCUNMFW-IDISGSTGSA-N 0 3 428.576 5.080 50 0 IKAAHN CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1cccc(C)c1)CC2 ZINC000034671805 555793123 /nfs/dbraw/zinc/79/31/23/555793123.db2.gz DSRVWTDQIQUZFF-IDISGSTGSA-N 0 3 428.576 5.046 50 0 IKAAHN Cc1cccc(CN2CCc3ccc(OCC(=O)NC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000034671864 555793383 /nfs/dbraw/zinc/79/33/83/555793383.db2.gz JLKVSOOTEBSARA-MUUNZHRXSA-N 0 3 428.576 5.046 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2CN(Cc3ccoc3)C[C@@H]2c2ccccc2)cc1 ZINC000034698959 555812452 /nfs/dbraw/zinc/81/24/52/555812452.db2.gz JCSKEPZSDKRCKX-KAYWLYCHSA-N 0 3 430.592 5.602 50 0 IKAAHN O=C(c1ccccc1)N(C[C@H]1CN(Cc2ccc[nH]2)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000034699018 555812840 /nfs/dbraw/zinc/81/28/40/555812840.db2.gz XTXXUZNVFNJAAJ-NAKRPHOHSA-N 0 3 441.619 5.705 50 0 IKAAHN Cc1ccc(CN2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)o1 ZINC000034699095 555813979 /nfs/dbraw/zinc/81/39/79/555813979.db2.gz IPEOCWLBZFFVSE-XNMGPUDCSA-N 0 3 430.592 5.663 50 0 IKAAHN CC(=O)C1(c2ccccc2)CCN(Cc2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000034684958 555820626 /nfs/dbraw/zinc/82/06/26/555820626.db2.gz KLOSPZRMSRWPRO-UHFFFAOYSA-N 0 3 440.587 5.082 50 0 IKAAHN Cc1cccc([C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)CN(Cc3cccc(F)c3)C2)c1 ZINC000034711274 555824409 /nfs/dbraw/zinc/82/44/09/555824409.db2.gz ZJSKDGOQOFWAHE-BYXVTNLJSA-N 0 3 430.567 5.617 50 0 IKAAHN COc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)CN(Cc3cccc(F)c3)C2)cc1 ZINC000034711270 555824462 /nfs/dbraw/zinc/82/44/62/555824462.db2.gz GSEIMQAEPFIHEQ-PKTZIBPZSA-N 0 3 432.539 5.387 50 0 IKAAHN Cc1ccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000034730049 555869731 /nfs/dbraw/zinc/86/97/31/555869731.db2.gz IQYMBIYKRFWASK-UHFFFAOYSA-N 0 3 431.555 5.147 50 0 IKAAHN Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000034730106 555869740 /nfs/dbraw/zinc/86/97/40/555869740.db2.gz UFDNIFQKAXHHNG-GJZUVCINSA-N 0 3 449.614 5.704 50 0 IKAAHN Cc1ccccc1N1CCN(CC[C@@H](Oc2ccc(F)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740119 555883306 /nfs/dbraw/zinc/88/33/06/555883306.db2.gz ZQQWSWHWLFBIST-HHHXNRCGSA-N 0 3 436.546 5.914 50 0 IKAAHN COc1cccc([C@H]2CN(Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740319 555883311 /nfs/dbraw/zinc/88/33/11/555883311.db2.gz AWVONRIQQGFJOA-ISKFKSNPSA-N 0 3 428.642 5.113 50 0 IKAAHN Cc1cc(CN2C[C@@H](c3cccc(F)c3)[C@H](CN(CC(C)C)C(=O)C(C)C)C2)oc1C ZINC000034740455 555883630 /nfs/dbraw/zinc/88/36/30/555883630.db2.gz CPBCGTTWUREHCM-DHLKQENFSA-N 0 3 428.592 5.392 50 0 IKAAHN COc1ccccc1[C@@H]1CN(Cc2cc(C)c(C)o2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000034740601 555884066 /nfs/dbraw/zinc/88/40/66/555884066.db2.gz VUAJCQXHVVSRPJ-WIOPSUGQSA-N 0 3 440.628 5.261 50 0 IKAAHN Cc1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@H](CN(C(=O)C3CCCC3)C(C)C)C2)o1 ZINC000034760544 555904144 /nfs/dbraw/zinc/90/41/44/555904144.db2.gz UGQGMBVZTJYOJV-DHLKQENFSA-N 0 3 426.576 5.370 50 0 IKAAHN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](N(C)C)c3ccccc32)cc1 ZINC000003804565 555946725 /nfs/dbraw/zinc/94/67/25/555946725.db2.gz WRNXUQJJCIZICJ-XMMPIXPASA-N 0 3 427.548 5.291 50 0 in-man IKAAHN CCOc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000005654587 556061685 /nfs/dbraw/zinc/06/16/85/556061685.db2.gz RMEFVOUNNVWLPX-UHFFFAOYSA-N 0 3 428.576 5.792 50 0 IKAAHN CCN(CC)CCON(CCC(c1ccccc1)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000006139177 556077126 /nfs/dbraw/zinc/07/71/26/556077126.db2.gz LFMPJPVRZAGMDH-VWLOTQADSA-N 0 3 430.636 6.545 50 0 IKAAHN CC(C)(C)c1ccc([C@@H](N2CCCCC2)[P@@](=O)(c2ccccc2)N2CCCCC2)cc1 ZINC000008306328 556156329 /nfs/dbraw/zinc/15/63/29/556156329.db2.gz NGUXLPQALAJFEY-HVNZXBJASA-N 0 3 438.596 6.558 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@@]1(N3CCCCC3)CCCC[C@@H]1[C@H]2c1ccccc1 ZINC000008399489 556165301 /nfs/dbraw/zinc/16/53/01/556165301.db2.gz XHZACPFETSQKJX-WMGZSYJVSA-N 0 3 439.643 7.694 50 0 IKAAHN CCOc1ccc(OCc2cccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c2)cc1 ZINC000008455213 556185641 /nfs/dbraw/zinc/18/56/41/556185641.db2.gz BLRXMCAGJQFGLR-UHFFFAOYSA-N 0 3 444.575 5.903 50 0 aggregator IKAAHN O[C@@H](CNCc1ccc(Cl)cc1Cl)Cn1c(-c2ccc(F)cc2)cc2ccccc21 ZINC000008616539 556192565 /nfs/dbraw/zinc/19/25/65/556192565.db2.gz UUMOCULGUBPZKO-NRFANRHFSA-N 0 3 443.349 5.905 50 0 IKAAHN O[C@H](CNCc1ccc(Cl)cc1Cl)Cn1c(-c2ccc(F)cc2)cc2ccccc21 ZINC000008628943 556194167 /nfs/dbraw/zinc/19/41/67/556194167.db2.gz UUMOCULGUBPZKO-OAQYLSRUSA-N 0 3 443.349 5.905 50 0 IKAAHN COc1cccc(-c2cc3c(c(OC)c2)OCCN(CC[C@@H](C)c2ccccc2)C3)c1OC ZINC000011815670 556358621 /nfs/dbraw/zinc/35/86/21/556358621.db2.gz JVUTYFVODYYMPZ-HXUWFJFHSA-N 0 3 447.575 5.768 50 0 IKAAHN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000011822112 556363401 /nfs/dbraw/zinc/36/34/01/556363401.db2.gz ZRODOPSSDNYMBX-GOSISDBHSA-N 0 3 439.943 5.414 50 0 IKAAHN CCCn1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000011842703 556365892 /nfs/dbraw/zinc/36/58/92/556365892.db2.gz DYQBWWMEEZQGHA-JOCHJYFZSA-N 0 3 446.595 5.128 50 0 IKAAHN COc1ccc([C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)N(C)C)cc1 ZINC000014183330 556383536 /nfs/dbraw/zinc/38/35/36/556383536.db2.gz KNUQPYSUSIYRQG-XMMPIXPASA-N 0 3 441.531 5.050 50 0 IKAAHN CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000011999182 556385385 /nfs/dbraw/zinc/38/53/85/556385385.db2.gz WAIHCTDBXZQCIL-XMMPIXPASA-N 0 3 436.596 5.483 50 0 IKAAHN C/C(=C\c1ccccc1)CN1CC[C@H]2[C@H](CCC(=O)N2Cc2cccc(C(F)(F)F)c2)C1 ZINC000012042275 556391525 /nfs/dbraw/zinc/39/15/25/556391525.db2.gz MVCBYXXLBOAENG-HEMBGHPDSA-N 0 3 442.525 5.622 50 0 IKAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCc1ccc2c(c1)OCO2 ZINC000012072697 556396048 /nfs/dbraw/zinc/39/60/48/556396048.db2.gz RLOMHVISXVPLNN-UHFFFAOYSA-N 0 3 433.458 5.144 50 0 IKAAHN COc1ccc(-c2n[nH]cc2CN2CCC(CCC(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000012429257 556404276 /nfs/dbraw/zinc/40/42/76/556404276.db2.gz FBLJHHAYKSRALQ-UHFFFAOYSA-N 0 3 432.568 5.025 50 0 IKAAHN c1csc([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)N2CCCC2)c1 ZINC000013030159 556442194 /nfs/dbraw/zinc/44/21/94/556442194.db2.gz ATOZNYIIEKJYJU-SFHVURJKSA-N 0 3 447.633 5.553 50 0 IKAAHN CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000014962814 556464665 /nfs/dbraw/zinc/46/46/65/556464665.db2.gz HAVDQUGPQJCHMC-UHFFFAOYSA-N 0 3 444.497 5.575 50 0 IKAAHN O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCc2sccc2C1 ZINC000014963831 556465047 /nfs/dbraw/zinc/46/50/47/556465047.db2.gz BSNCIBAEJHGQLU-UHFFFAOYSA-N 0 3 446.616 5.033 50 0 IKAAHN O=C(NCc1cccs1)[C@@H]1CC12CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014966697 556465762 /nfs/dbraw/zinc/46/57/62/556465762.db2.gz TUIRLYNSVDOOTI-VWLOTQADSA-N 0 3 428.601 5.238 50 0 IKAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(-c3ccco3)c2)CC1)c1ccccc1 ZINC000014975281 556467987 /nfs/dbraw/zinc/46/79/87/556467987.db2.gz BLVXIWZPWIMUJV-UHFFFAOYSA-N 0 3 426.520 5.233 50 0 IKAAHN COc1ccccc1[C@@H](CNc1ncnc2scc(-c3ccccc3)c21)N1CCCC1 ZINC000013137300 556484361 /nfs/dbraw/zinc/48/43/61/556484361.db2.gz FNKXBWUKFHEBTM-OAQYLSRUSA-N 0 3 430.577 5.616 50 0 IKAAHN Cc1ccc2c(c1)c1c(n2C[C@H](O)CNC(c2ccccc2)c2ccccc2)C(=O)CCC1 ZINC000013138017 556485015 /nfs/dbraw/zinc/48/50/15/556485015.db2.gz COSFDBHTQGGMSC-HSZRJFAPSA-N 0 3 438.571 5.209 50 0 IKAAHN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CNC2CCCCC2)cc1 ZINC000013146601 556488678 /nfs/dbraw/zinc/48/86/78/556488678.db2.gz AZLIJBXIYNQDQZ-MHZLTWQESA-N 0 3 441.575 5.448 50 0 IKAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN([C@H](C)Cc2cc(C)ccn2)CC1 ZINC000015072907 556497300 /nfs/dbraw/zinc/49/73/00/556497300.db2.gz CJJJPTQWCVUPDN-LJQANCHMSA-N 0 3 448.529 5.228 50 0 IKAAHN c1nn(-c2ccccn2)c2c1[C@@H](NCc1cn(-c3ccccc3)nc1-c1ccccc1)CCC2 ZINC000015075022 556498879 /nfs/dbraw/zinc/49/88/79/556498879.db2.gz QXIDJIQGQGBYKM-VWLOTQADSA-N 0 3 446.558 5.287 50 0 IKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 ZINC000013644708 556543226 /nfs/dbraw/zinc/54/32/26/556543226.db2.gz ZVILGAXNYAHJKT-VWLOTQADSA-N 0 3 441.575 5.592 50 0 IKAAHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)C1(O)Cc1ccccc1 ZINC000015800052 556552822 /nfs/dbraw/zinc/55/28/22/556552822.db2.gz NATCMOXDTBVZOU-BRUHTKEMSA-N 0 3 440.414 6.625 50 0 IKAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000015906416 556562785 /nfs/dbraw/zinc/56/27/85/556562785.db2.gz IBNCSKDJHIAUMN-GHTZIAJQSA-N 0 3 433.379 5.295 50 0 IKAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946736 556567738 /nfs/dbraw/zinc/56/77/38/556567738.db2.gz DDJKJUJZGZWOMY-KRWDZBQOSA-N 0 3 441.641 5.398 50 0 IKAAHN OC1(c2ccc(Br)cc2)CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000023280119 556576645 /nfs/dbraw/zinc/57/66/45/556576645.db2.gz HSXJLGZQGHUQMB-UHFFFAOYSA-N 0 3 434.377 5.504 50 0 IKAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)C1 ZINC000022077678 556577903 /nfs/dbraw/zinc/57/79/03/556577903.db2.gz GTLYIXATMVSPGU-OAQYLSRUSA-N 0 3 434.580 5.497 50 0 IKAAHN COc1ccc(CN2CCC(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022241716 556578192 /nfs/dbraw/zinc/57/81/92/556578192.db2.gz MZIAMABCNPZHMN-UHFFFAOYSA-N 0 3 442.603 5.246 50 0 IKAAHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000032983805 556602617 /nfs/dbraw/zinc/60/26/17/556602617.db2.gz NQLUWRSAOAOTAO-LJQANCHMSA-N 0 3 427.907 5.009 50 0 IKAAHN CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCN3CCC(C)CC3)cc21 ZINC000032986724 556606489 /nfs/dbraw/zinc/60/64/89/556606489.db2.gz HRPJNTIRCWLOCL-UHFFFAOYSA-N 0 3 431.580 5.071 50 0 IKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 ZINC000005091732 556633716 /nfs/dbraw/zinc/63/37/16/556633716.db2.gz NXPJETGVRHQEDV-OAQYLSRUSA-N 0 3 425.960 5.093 50 0 IKAAHN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000037587685 556645913 /nfs/dbraw/zinc/64/59/13/556645913.db2.gz VVPPXMGMJKRXAA-UHFFFAOYSA-N 0 3 428.576 5.569 50 0 IKAAHN CCOc1cc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)ccc1OC ZINC000042925969 556660100 /nfs/dbraw/zinc/66/01/00/556660100.db2.gz PQDMCVRJXOYHHA-QGZVFWFLSA-N 0 3 427.495 5.142 50 0 IKAAHN COc1cc(OC)c(OC)cc1CN1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000043125056 556661228 /nfs/dbraw/zinc/66/12/28/556661228.db2.gz QQJULMBGCKMTGL-KRWDZBQOSA-N 0 3 441.959 5.136 50 0 IKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248120866 556665025 /nfs/dbraw/zinc/66/50/25/556665025.db2.gz XPMZOHXHEZSRQC-BKMJKUGQSA-N 0 3 433.571 5.229 50 0 IKAAHN Cc1ccc([C@@H]2CN(Cc3cccn3C)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000248136229 556668933 /nfs/dbraw/zinc/66/89/33/556668933.db2.gz OTBQZSDHSBFOAD-BDYUSTAISA-N 0 3 429.608 5.100 50 0 IKAAHN COc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCCC2)cc1 ZINC000011916626 556673273 /nfs/dbraw/zinc/67/32/73/556673273.db2.gz PZRZICGHCBXCAB-HSZRJFAPSA-N 0 3 445.003 5.078 50 0 IKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248236235 556676767 /nfs/dbraw/zinc/67/67/67/556676767.db2.gz MTFSYEJGJHCSJB-OZXSUGGESA-N 0 3 445.582 5.235 50 0 IKAAHN CN1CCC([C@H]2Oc3ccc(F)cc3Sc3ccc(SC(F)(F)F)cc32)CC1 ZINC000033885921 556719843 /nfs/dbraw/zinc/71/98/43/556719843.db2.gz HQROLBVCISYESA-LJQANCHMSA-N 0 3 429.504 6.364 50 0 IKAAHN COc1cc2nc(-c3ccccc3)c(CN[C@@H](C)c3cccs3)cc2c(OC)c1OC ZINC000055042454 556732613 /nfs/dbraw/zinc/73/26/13/556732613.db2.gz JDUDVIVGEBKZFF-INIZCTEOSA-N 0 3 434.561 5.840 50 0 IKAAHN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000055529314 556741860 /nfs/dbraw/zinc/74/18/60/556741860.db2.gz VVHXYCWQNPUQSI-UHFFFAOYSA-N 0 3 427.592 5.559 50 0 IKAAHN O=C(CCN1CCN2CCCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019362821 556745705 /nfs/dbraw/zinc/74/57/05/556745705.db2.gz UDGRQZRWGPZOAJ-SFHVURJKSA-N 0 3 428.001 5.030 50 0 IKAAHN CC(C)CN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068921 556836184 /nfs/dbraw/zinc/83/61/84/556836184.db2.gz AQOOWTPIKCNRNE-UHFFFAOYSA-N 0 3 437.996 5.735 50 0 IKAAHN CCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033069032 556839541 /nfs/dbraw/zinc/83/95/41/556839541.db2.gz IQWZBFAXISNYRI-UHFFFAOYSA-N 0 3 449.595 6.098 50 0 IKAAHN COc1ccc(CN2C(=O)c3ccccc3[C@H]2N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004676895 556872895 /nfs/dbraw/zinc/87/28/95/556872895.db2.gz CPLKMMGVQMTAPZ-RKYVTRPCSA-N 0 3 430.592 5.544 50 0 IKAAHN Cn1cc(CN[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000019740176 556879865 /nfs/dbraw/zinc/87/98/65/556879865.db2.gz XEVIGLROUZFLSU-HSZRJFAPSA-N 0 3 429.543 5.215 50 0 IKAAHN CCN1CCC[C@H](NC(=O)c2ccccc2Nc2ccnc3c2cccc3C(F)(F)F)C1 ZINC000071770914 556888063 /nfs/dbraw/zinc/88/80/63/556888063.db2.gz UHAUAYGYPVRSST-INIZCTEOSA-N 0 3 442.485 5.211 50 0 IKAAHN Nc1c(Cl)cc([C@H](O)CN[C@H]2c3ccccc3CSc3ccccc32)cc1Cl ZINC000019801903 556917834 /nfs/dbraw/zinc/91/78/34/556917834.db2.gz JQXZAVXODXQBDJ-KNQAVFIVSA-N 0 3 431.388 5.594 50 0 IKAAHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019808872 556918489 /nfs/dbraw/zinc/91/84/89/556918489.db2.gz WJZJPXVHFDBUDQ-FQEVSTJZSA-N 0 3 441.575 5.026 50 0 IKAAHN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019850256 556930706 /nfs/dbraw/zinc/93/07/06/556930706.db2.gz FZGDHIQRAHPRAY-UHFFFAOYSA-N 0 3 425.359 5.482 50 0 IKAAHN COc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1OCc1ccccc1 ZINC000019900068 556941675 /nfs/dbraw/zinc/94/16/75/556941675.db2.gz QERBRLODQHLNMO-UHFFFAOYSA-N 0 3 430.592 5.025 50 0 IKAAHN CC1=C(C)[C@H](OC2CCN(Cc3ccccc3)CC2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020146043 556990704 /nfs/dbraw/zinc/99/07/04/556990704.db2.gz PZOBURSZJVEHCU-SANMLTNESA-N 0 3 438.999 5.068 50 0 IKAAHN COc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(OC)c1 ZINC000020241906 557002353 /nfs/dbraw/zinc/00/23/53/557002353.db2.gz NJAUGBBNFODJLW-UHFFFAOYSA-N 0 3 444.575 5.411 50 0 IKAAHN O=C(NC1CCCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055432 557027303 /nfs/dbraw/zinc/02/73/03/557027303.db2.gz TZJCXUXEAFGLHV-UHFFFAOYSA-N 0 3 443.635 5.741 50 0 IKAAHN CC[C@@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055493 557027316 /nfs/dbraw/zinc/02/73/16/557027316.db2.gz IOUDINSMKGCWNF-LJQANCHMSA-N 0 3 438.015 5.470 50 0 IKAAHN CC[C@@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000046055579 557027365 /nfs/dbraw/zinc/02/73/65/557027365.db2.gz MIJILLJNTANAMO-LJQANCHMSA-N 0 3 438.015 5.470 50 0 IKAAHN CC[C@@H](C)NC(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055683 557027432 /nfs/dbraw/zinc/02/74/32/557027432.db2.gz BVEZEEDTQLRNPP-LJQANCHMSA-N 0 3 438.015 5.470 50 0 IKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)N4CCCCCC4)CC3)cc3ccccc32)c1 ZINC000046055856 557027699 /nfs/dbraw/zinc/02/76/99/557027699.db2.gz WOLFWQVJTORNTE-UHFFFAOYSA-N 0 3 443.635 5.613 50 0 IKAAHN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056536 557028386 /nfs/dbraw/zinc/02/83/86/557028386.db2.gz JRGYHJPGVHXVHQ-HXUWFJFHSA-N 0 3 429.907 5.604 50 0 IKAAHN COc1cc(CNC[C@@H](c2cccs2)N2CCCC2)ccc1OCc1cccs1 ZINC000022933704 557051225 /nfs/dbraw/zinc/05/12/25/557051225.db2.gz QQEPEIVRONVDIH-FQEVSTJZSA-N 0 3 428.623 5.324 50 0 IKAAHN COc1cc([C@@H](C)NCc2cccc(OCc3ccccc3Cl)c2)ccc1OCCO ZINC000048285680 557057860 /nfs/dbraw/zinc/05/78/60/557057860.db2.gz MSMNJGJWGGASQS-GOSISDBHSA-N 0 3 441.955 5.150 50 0 IKAAHN O=C(Nc1cccc(-c2cscn2)c1)C1CCN(Cc2cc3ccccc3s2)CC1 ZINC000023580779 557099409 /nfs/dbraw/zinc/09/94/09/557099409.db2.gz IKFSYOQKKTWAMG-UHFFFAOYSA-N 0 3 433.602 5.876 50 0 IKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)NC4CCCCC4)CC3)cc3ccccc32)c1 ZINC000049535976 557110455 /nfs/dbraw/zinc/11/04/55/557110455.db2.gz SBDRHQQBOXLBBU-UHFFFAOYSA-N 0 3 443.635 5.659 50 0 IKAAHN Cc1cccc(Cn2c(CN3CCC(C(=O)NC4CCCC4)CC3)cc3ccccc32)c1 ZINC000049535974 557110502 /nfs/dbraw/zinc/11/05/02/557110502.db2.gz BVYSUORBIOEWKD-UHFFFAOYSA-N 0 3 429.608 5.269 50 0 IKAAHN CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)C(C)S(C)(=O)=O)cc2F)cc1 ZINC000072285147 557135255 /nfs/dbraw/zinc/13/52/55/557135255.db2.gz ZEMVITPHVBFUKN-JKSUJKDBSA-N 0 3 437.602 5.053 50 0 IKAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 ZINC000004812038 557136415 /nfs/dbraw/zinc/13/64/15/557136415.db2.gz UPJNKWWSUFGQSG-VWLOTQADSA-N 0 3 425.532 5.444 50 0 IKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000100961972 557208629 /nfs/dbraw/zinc/20/86/29/557208629.db2.gz SBXXZWYDZDXGMP-NXCFDTQHSA-N 0 3 434.495 5.199 50 0 IKAAHN COc1cccc([C@@H]2CN[C@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025480347 557212147 /nfs/dbraw/zinc/21/21/47/557212147.db2.gz YUWKNXAQUIIHLZ-GBXCKJPGSA-N 0 3 430.573 5.732 50 0 IKAAHN CCN(CC)CCOc1c(C(C)(C)C)cc(C(=O)c2coc3ccccc23)cc1C(C)(C)C ZINC000025578649 557215660 /nfs/dbraw/zinc/21/56/60/557215660.db2.gz OZUMQNJJWBUETA-UHFFFAOYSA-N 0 3 449.635 6.979 50 0 IKAAHN Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cccc(CN2CCCC2)c1 ZINC000025854842 557228713 /nfs/dbraw/zinc/22/87/13/557228713.db2.gz SPFQDMKQNCCLCR-UHFFFAOYSA-N 0 3 426.358 5.016 50 0 IKAAHN CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)C3ON2c2ccccc2)cc1 ZINC000101090326 557244278 /nfs/dbraw/zinc/24/42/78/557244278.db2.gz ZVBJMQNTKVGGNM-VJGNERBWSA-N 0 3 448.522 5.453 50 0 IKAAHN Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1C ZINC000102694039 557364614 /nfs/dbraw/zinc/36/46/14/557364614.db2.gz JTNIFZSWZPIHRK-XPWALMASSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1C ZINC000102694039 557364617 /nfs/dbraw/zinc/36/46/17/557364617.db2.gz JTNIFZSWZPIHRK-XPWALMASSA-N 0 3 432.907 5.008 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102735944 557373233 /nfs/dbraw/zinc/37/32/33/557373233.db2.gz IZRGMSVRVHAMNO-CCDWMCETSA-N 0 3 438.458 5.030 50 0 IKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 ZINC000102752833 557383522 /nfs/dbraw/zinc/38/35/22/557383522.db2.gz LDNOEDBPXLUFCK-ISJGIBHGSA-N 0 3 440.543 5.344 50 0 IKAAHN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000102755966 557384201 /nfs/dbraw/zinc/38/42/01/557384201.db2.gz UMZFKDLJITZBCJ-JIMJEQGWSA-N 0 3 434.495 5.199 50 0 IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@H]23)CC1 ZINC000247882605 557389371 /nfs/dbraw/zinc/38/93/71/557389371.db2.gz RSUMDFBTCAAZNY-YXBNGVMSSA-N 0 3 443.031 5.085 50 0 IKAAHN Cc1ccc(C)c(CN(CC(=O)N2CCS[C@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000004893686 557401851 /nfs/dbraw/zinc/40/18/51/557401851.db2.gz SJECTAKCDLDRLH-DEOSSOPVSA-N 0 3 431.045 5.689 50 0 IKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000019834184 557497254 /nfs/dbraw/zinc/49/72/54/557497254.db2.gz QZCIBPXNJXCHRN-NRFANRHFSA-N 0 3 430.379 5.739 50 0 IKAAHN CCCN1CCC2(CC1)Oc1c(Cl)cc(Cl)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000019834186 557497314 /nfs/dbraw/zinc/49/73/14/557497314.db2.gz QZCIBPXNJXCHRN-OAQYLSRUSA-N 0 3 430.379 5.739 50 0 IKAAHN COc1ccc(NC(=O)[C@H]2CC[C@@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1 ZINC000034669834 557848150 /nfs/dbraw/zinc/84/81/50/557848150.db2.gz PYMSULKAMRDHTH-NVQXNPDNSA-N 0 3 430.548 5.296 50 0 IKAAHN COc1ccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)N(Cc3cccc(OC)c3)C2)cc1 ZINC000034669831 557848193 /nfs/dbraw/zinc/84/81/93/557848193.db2.gz PYMSULKAMRDHTH-GJZUVCINSA-N 0 3 430.548 5.296 50 0 IKAAHN O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCc2ccccc2C1 ZINC000003205704 562932688 /nfs/dbraw/zinc/93/26/88/562932688.db2.gz XIRMZNKBAGVWMK-DEOSSOPVSA-N 0 3 442.386 5.519 50 0 IKAAHN FC(F)(F)c1cccc(NC(=S)N(CCCN2CCCCC2)Cc2cccs2)c1 ZINC000003665659 562937604 /nfs/dbraw/zinc/93/76/04/562937604.db2.gz CDQSKXOTUSGKJO-UHFFFAOYSA-N 0 3 441.588 5.842 50 0 IKAAHN CCOc1ccccc1NC(=O)N[C@H](CC)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000008590212 562951561 /nfs/dbraw/zinc/95/15/61/562951561.db2.gz TYDRVVYALGVBST-GOSISDBHSA-N 0 3 438.597 5.198 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009427329 562970476 /nfs/dbraw/zinc/97/04/76/562970476.db2.gz FBULPKPHMSLOMY-OAQYLSRUSA-N 0 3 440.385 5.193 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(cccc2OC)s1 ZINC000010066697 562978384 /nfs/dbraw/zinc/97/83/84/562978384.db2.gz HRVMCLACAORZLD-UHFFFAOYSA-N 0 3 437.609 5.172 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(OC)cc2s1 ZINC000010066432 562978420 /nfs/dbraw/zinc/97/84/20/562978420.db2.gz NVNCMUBBRHWOCH-UHFFFAOYSA-N 0 3 437.609 5.172 50 0 IKAAHN Fc1ccc(C(CCCN2CCN(CCNc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000019364169 563022652 /nfs/dbraw/zinc/02/26/52/563022652.db2.gz ITBCJAOQRBZXQE-UHFFFAOYSA-N 0 3 449.589 5.607 50 0 in-man IKAAHN Clc1ccc2nc(-c3ccc(OCCCN4CCN(c5ccccc5)CC4)cc3)[nH]c2c1 ZINC000020101927 563023620 /nfs/dbraw/zinc/02/36/20/563023620.db2.gz SGXRQWSQRWSZTI-UHFFFAOYSA-N 0 3 446.982 5.474 50 0 IKAAHN COc1ccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC ZINC000020365353 563024575 /nfs/dbraw/zinc/02/45/75/563024575.db2.gz QKSGRSQVRBFFEB-UHFFFAOYSA-N 0 3 432.347 5.036 50 0 IKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000063110742 568737568 /nfs/dbraw/zinc/73/75/68/568737568.db2.gz IODLPFHXQAFFKP-UHFFFAOYSA-N 0 3 439.481 5.280 50 0 IKAAHN CCOc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)ccc1OCc1ccccc1Cl ZINC000001322395 568780239 /nfs/dbraw/zinc/78/02/39/568780239.db2.gz RXXKBFWBKYKLPJ-VWLOTQADSA-N 0 3 432.951 6.034 50 0 biogenic IKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2cccc(C)c2C)c1 ZINC000001322491 568780298 /nfs/dbraw/zinc/78/02/98/568780298.db2.gz AYVLMYXKNHLAAI-MHZLTWQESA-N 0 3 442.559 5.616 50 0 biogenic IKAAHN CC(C)c1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000015859347 568847596 /nfs/dbraw/zinc/84/75/96/568847596.db2.gz IFLGTGGLLFVKGG-AREMUKBSSA-N 0 3 442.559 6.977 50 0 IKAAHN CC(C)c1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000015859348 568847644 /nfs/dbraw/zinc/84/76/44/568847644.db2.gz IFLGTGGLLFVKGG-SANMLTNESA-N 0 3 442.559 6.977 50 0 IKAAHN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)N2CCCCC2)cc1 ZINC000015859454 568847715 /nfs/dbraw/zinc/84/77/15/568847715.db2.gz LPDDFTYZRHFDPV-SANMLTNESA-N 0 3 440.543 6.269 50 0 IKAAHN Cc1cc(C)c(-n2nnnc2[C@@H](NCCc2c[nH]c3ccccc23)[C@@H]2CC=CCC2)c(C)c1 ZINC000575443626 568869518 /nfs/dbraw/zinc/86/95/18/568869518.db2.gz FCBYSFGHHOOPAD-BWKNWUBXSA-N 0 3 440.595 5.299 50 0 IKAAHN O=C(CN1CCCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006530162 568929769 /nfs/dbraw/zinc/92/97/69/568929769.db2.gz VYDILBKREWJQQE-HHHXNRCGSA-N 0 3 425.576 5.784 50 0 IKAAHN CCCN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(C)s1 ZINC000036154601 568964664 /nfs/dbraw/zinc/96/46/64/568964664.db2.gz KZTUISGDRRQZTA-UHFFFAOYSA-N 0 3 431.601 6.346 50 0 IKAAHN Cc1ccc(F)c(CN2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)c1 ZINC000169679929 568990622 /nfs/dbraw/zinc/99/06/22/568990622.db2.gz BFMPFGNAXIQXGE-ILBGXUMGSA-N 0 3 442.594 5.629 50 0 IKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301822 568994051 /nfs/dbraw/zinc/99/40/51/568994051.db2.gz SNQPJPYBKFPKEF-QFIPXVFZSA-N 0 3 439.987 5.609 50 0 IKAAHN Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1CN(CC(C)C)C[C@H](C)O ZINC000036301741 568994154 /nfs/dbraw/zinc/99/41/54/568994154.db2.gz AYOKWNUILLCMKY-SFHVURJKSA-N 0 3 427.976 5.465 50 0 IKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036304993 568994683 /nfs/dbraw/zinc/99/46/83/568994683.db2.gz KOAUZMZLSVZFIS-IBGZPJMESA-N 0 3 425.960 5.268 50 0 IKAAHN COc1ccc(Oc2c(CN(C[C@@H](O)C(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304614 568994812 /nfs/dbraw/zinc/99/48/12/568994812.db2.gz ILQMEEHHFZBJFA-AREMUKBSSA-N 0 3 449.595 5.211 50 0 IKAAHN C[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305054 568994928 /nfs/dbraw/zinc/99/49/28/568994928.db2.gz PTQLWNUSDOPKFN-QGZVFWFLSA-N 0 3 425.960 5.126 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345968 569080815 /nfs/dbraw/zinc/08/08/15/569080815.db2.gz LPRKPLQJBXWIAT-OAQYLSRUSA-N 0 3 425.548 5.341 50 0 IKAAHN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000037279984 569145798 /nfs/dbraw/zinc/14/57/98/569145798.db2.gz GLDWYCFQOSOWSC-UHFFFAOYSA-N 0 3 432.539 5.454 50 0 IKAAHN COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CCN(Cc2cccc(C)c2)CC1 ZINC000037280040 569145838 /nfs/dbraw/zinc/14/58/38/569145838.db2.gz ROPRSUPVOGVXHH-UHFFFAOYSA-N 0 3 428.576 5.623 50 0 IKAAHN Brc1ccc(NC2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000010060503 569152578 /nfs/dbraw/zinc/15/25/78/569152578.db2.gz SHSBCBBPHZFLGL-UHFFFAOYSA-N 0 3 437.381 6.318 50 0 IKAAHN CCc1nc([C@@H](C)NC(=O)Nc2ccc(CN(C[C@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000252477146 569185811 /nfs/dbraw/zinc/18/58/11/569185811.db2.gz IYDKMQODXPBXBZ-WIYYLYMNSA-N 0 3 444.645 5.368 50 0 IKAAHN O=C1C(C(OCc2ccccc2)=C(F)F)[C@H](c2ccccc2)N1c1ccc(Cl)cc1 ZINC000002184346 569190445 /nfs/dbraw/zinc/19/04/45/569190445.db2.gz IDIIHBWOYSCLKB-RTWAWAEBSA-N 0 3 425.862 6.369 50 0 IKAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(F)cc3s2)o1 ZINC000002200520 569192388 /nfs/dbraw/zinc/19/23/88/569192388.db2.gz VSORMYANUPOQHR-LJQANCHMSA-N 0 3 432.432 5.193 50 0 IKAAHN CC[C@H](C)c1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 ZINC000007719303 569197776 /nfs/dbraw/zinc/19/77/76/569197776.db2.gz UFILVDRYUJMLGM-SSOJOUAXSA-N 0 3 425.573 5.093 50 0 IKAAHN COc1cccc([C@H]2CN(Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037524385 569198592 /nfs/dbraw/zinc/19/85/92/569198592.db2.gz ILZJSOAWGWCXME-JYFHCDHNSA-N 0 3 440.603 5.191 50 0 IKAAHN COc1cccc([C@H]2CN(Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000037524386 569198603 /nfs/dbraw/zinc/19/86/03/569198603.db2.gz ILZJSOAWGWCXME-ZEQKJWHPSA-N 0 3 440.603 5.191 50 0 IKAAHN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000037560111 569200853 /nfs/dbraw/zinc/20/08/53/569200853.db2.gz NNMMOGRFJRRGEB-UHFFFAOYSA-N 0 3 444.575 5.324 50 0 IKAAHN COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000037560090 569200910 /nfs/dbraw/zinc/20/09/10/569200910.db2.gz XZCWRQUHUZZNEW-UHFFFAOYSA-N 0 3 432.539 5.454 50 0 IKAAHN COc1cccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000037560092 569200946 /nfs/dbraw/zinc/20/09/46/569200946.db2.gz PDPWTTZLMQOMKQ-UHFFFAOYSA-N 0 3 432.539 5.454 50 0 IKAAHN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000037560525 569201089 /nfs/dbraw/zinc/20/10/89/569201089.db2.gz AVLRCGMJCQCOQS-UHFFFAOYSA-N 0 3 448.994 5.968 50 0 IKAAHN CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(C(C)(C)C)cc1 ZINC000002693631 569212597 /nfs/dbraw/zinc/21/25/97/569212597.db2.gz XMADOXUAXDRFBI-UHFFFAOYSA-N 0 3 433.621 5.069 50 0 IKAAHN C(\c1ccccc1)=C1\CCC[C@@H]2[C@H](c3ccccc3)C3=C(CCCC3)O[C@]12N1CCCC1 ZINC000003125961 569256523 /nfs/dbraw/zinc/25/65/23/569256523.db2.gz IJXXRBRQXUPTCZ-MVBUWGDDSA-N 0 3 425.616 7.304 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@]1(N3CCCC3)CCCC[C@H]1[C@H]2c1ccccc1 ZINC000013467839 569256726 /nfs/dbraw/zinc/25/67/26/569256726.db2.gz ASDJDGGAASGMTI-MAXZNYRFSA-N 0 3 425.616 7.304 50 0 IKAAHN COc1cccc([C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000253388919 569264269 /nfs/dbraw/zinc/26/42/69/569264269.db2.gz GIXYHFPBYHIBKI-DHLKQENFSA-N 0 3 429.004 5.069 50 0 IKAAHN CCCCCCC1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C ZINC000245310379 569269881 /nfs/dbraw/zinc/26/98/81/569269881.db2.gz IOJSASXMHFMQDT-MCJPXMOYSA-N 0 3 434.451 7.353 50 0 IKAAHN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@H](C)[C@@](O)(Cc3ccccc3)[C@@H]2C)cc1 ZINC000245294888 569269907 /nfs/dbraw/zinc/26/99/07/569269907.db2.gz BTUTYNXWDXRDAN-WJIXSLGCSA-N 0 3 431.576 5.335 50 0 IKAAHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)[C@@]1(O)Cc1ccccc1 ZINC000252320699 569271119 /nfs/dbraw/zinc/27/11/19/569271119.db2.gz NATCMOXDTBVZOU-IZVMBHDSSA-N 0 3 440.414 6.625 50 0 IKAAHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)Cc1ccccc1 ZINC000252320698 569271181 /nfs/dbraw/zinc/27/11/81/569271181.db2.gz NATCMOXDTBVZOU-BAELCIPQSA-N 0 3 440.414 6.625 50 0 IKAAHN C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OCN2C1 ZINC000253594903 569273259 /nfs/dbraw/zinc/27/32/59/569273259.db2.gz GRMUAQMHJKQVFL-LUAJDXSXSA-N 0 3 427.673 5.629 50 0 biogenic IKAAHN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2OC(=O)CCN1CCCCC1 ZINC000253503887 569283503 /nfs/dbraw/zinc/28/35/03/569283503.db2.gz FKAJEUFWOXAABF-JLNGKSOPSA-N 0 3 429.645 5.386 50 0 IKAAHN CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002352962 569284597 /nfs/dbraw/zinc/28/45/97/569284597.db2.gz QBNYOJCNVDGMMD-FQEVSTJZSA-N 0 3 444.537 5.776 50 0 IKAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1nnc(CC(C)C)s1)C3=O ZINC000002407901 569300359 /nfs/dbraw/zinc/30/03/59/569300359.db2.gz BGJNBFGUMUSOBB-FQEVSTJZSA-N 0 3 449.507 5.040 50 0 IKAAHN CCCCc1nc2sc3c(nc(SC)nc3SCCN(C)C)c2c2c1CCC2 ZINC000002441862 569304274 /nfs/dbraw/zinc/30/42/74/569304274.db2.gz BNBDVZOPKKHIDX-UHFFFAOYSA-N 0 3 432.684 5.446 50 0 IKAAHN COc1ccc(-c2csc3ncnc(NC[C@H](c4ccco4)N4CCCCC4)c23)cc1 ZINC000013095513 569309487 /nfs/dbraw/zinc/30/94/87/569309487.db2.gz HYPPXJZJXADJLG-HXUWFJFHSA-N 0 3 434.565 5.599 50 0 IKAAHN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000013116953 569310930 /nfs/dbraw/zinc/31/09/30/569310930.db2.gz AWYFKUGPMHUVPQ-QHCPKHFHSA-N 0 3 437.465 5.699 50 0 IKAAHN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N(C)C5CCCCC5)C4=O)cc3)sc2c1 ZINC000019890012 569331797 /nfs/dbraw/zinc/33/17/97/569331797.db2.gz VFRYKIBVYZTXSW-NRFANRHFSA-N 0 3 433.577 5.168 50 0 IKAAHN Cc1[nH]c2ccccc2c1[C@H](c1ccc(C(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000019902792 569331868 /nfs/dbraw/zinc/33/18/68/569331868.db2.gz GVJXWYUHTSFSGP-LJAQVGFWSA-N 0 3 441.594 6.650 50 0 IKAAHN Clc1ccc([C@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000020032638 569332623 /nfs/dbraw/zinc/33/26/23/569332623.db2.gz MDHWZXAVBYFNDP-NDEPHWFRSA-N 0 3 444.022 6.161 50 0 biogenic IKAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000020237366 569357497 /nfs/dbraw/zinc/35/74/97/569357497.db2.gz QWXPXLRFUNBTMR-UHFFFAOYSA-N 0 3 435.527 5.530 50 0 IKAAHN CCc1nc([C@@H](C)NC(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000095460784 569369780 /nfs/dbraw/zinc/36/97/80/569369780.db2.gz IYDKMQODXPBXBZ-NQIIRXRSSA-N 0 3 444.645 5.368 50 0 IKAAHN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN(C)Cc3ccccc3)cc(=O)oc2c1C ZINC000095472788 569372192 /nfs/dbraw/zinc/37/21/92/569372192.db2.gz HJIYIBMIOZFVLK-UHFFFAOYSA-N 0 3 438.527 6.158 50 0 IKAAHN O=C(c1ccc(Cl)cc1)[C@H]1CN(C2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000002708587 569417643 /nfs/dbraw/zinc/41/76/43/569417643.db2.gz CPVHOEXRGVOAQJ-VWNXMTODSA-N 0 3 432.391 5.719 50 0 IKAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(COc2ccccc2Cl)cc1 ZINC000002772152 569420917 /nfs/dbraw/zinc/42/09/17/569420917.db2.gz GRSCTIJYEABBRZ-UHFFFAOYSA-N 0 3 434.967 6.157 50 0 IKAAHN CC(C)N1CCC(N(Cc2ccco2)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000002912832 569424959 /nfs/dbraw/zinc/42/49/59/569424959.db2.gz BJKJXYWWGYKVDE-UHFFFAOYSA-N 0 3 425.520 5.370 50 0 IKAAHN CCc1ccc(Sc2cc(C(=O)NCCN3[C@H](C)CCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000002941384 569426674 /nfs/dbraw/zinc/42/66/74/569426674.db2.gz WCVYERRBBYFAOS-BGYRXZFFSA-N 0 3 447.648 5.941 50 0 IKAAHN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1C ZINC000057270654 569430257 /nfs/dbraw/zinc/43/02/57/569430257.db2.gz LGOMQQJSAOGDOM-GCJKJVERSA-N 0 3 427.548 5.308 50 0 IKAAHN c1ccc2cc(CN3CCN(c4nc(-c5cccnc5)nc5ccccc54)CC3)ccc2c1 ZINC000057381119 569432810 /nfs/dbraw/zinc/43/28/10/569432810.db2.gz LZTWZBVIJWKKMB-UHFFFAOYSA-N 0 3 431.543 5.167 50 0 IKAAHN CCN1CCC[C@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000003047623 569438678 /nfs/dbraw/zinc/43/86/78/569438678.db2.gz DTDSVJHUGZHVRB-NRFANRHFSA-N 0 3 431.580 5.248 50 0 IKAAHN COc1cccc(OC)c1C(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000003236253 569442462 /nfs/dbraw/zinc/44/24/62/569442462.db2.gz KFBUNZJSPRKXJX-UHFFFAOYSA-N 0 3 430.548 5.015 50 0 IKAAHN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc12 ZINC000003324809 569446170 /nfs/dbraw/zinc/44/61/70/569446170.db2.gz IKMQWHYXUVGEQX-FQEVSTJZSA-N 0 3 438.984 5.082 50 0 IKAAHN FC(F)(F)c1cccc(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)c1 ZINC000003665660 569455986 /nfs/dbraw/zinc/45/59/86/569455986.db2.gz HIKUFPRQLJKHQT-UHFFFAOYSA-N 0 3 441.588 5.842 50 0 IKAAHN CCN(CC)CCOC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000008385567 569462641 /nfs/dbraw/zinc/46/26/41/569462641.db2.gz CGFWEKQREVKJNJ-UHFFFAOYSA-N 0 3 439.599 6.279 50 0 IKAAHN CC1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546307 569463480 /nfs/dbraw/zinc/46/34/80/569463480.db2.gz COWLTBDLNSRCNK-DEOSSOPVSA-N 0 3 434.605 6.294 50 0 IKAAHN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccs2)N2CCC(C)CC2)c1C ZINC000038546718 569463660 /nfs/dbraw/zinc/46/36/60/569463660.db2.gz AXWSLHGJWDMGCY-HXUWFJFHSA-N 0 3 430.664 6.562 50 0 IKAAHN CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000008717681 569471129 /nfs/dbraw/zinc/47/11/29/569471129.db2.gz PPVMRAFAGPNXMY-LJQANCHMSA-N 0 3 446.776 5.068 50 0 IKAAHN Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000008721627 569471743 /nfs/dbraw/zinc/47/17/43/569471743.db2.gz BXBBAFPZXRZCPD-UHFFFAOYSA-N 0 3 432.995 6.355 50 0 IKAAHN Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2c1ccc(Oc2ccccc2)cc1 ZINC000008782179 569475787 /nfs/dbraw/zinc/47/57/87/569475787.db2.gz LGEJEOSMEBYTCO-UHFFFAOYSA-N 0 3 444.534 7.822 50 0 IKAAHN CC1(C)C(c2ccccc2)=NN(c2ccc(CNCc3ccccc3)cc2)[C@H]1c1ccccc1 ZINC000008914041 569485417 /nfs/dbraw/zinc/48/54/17/569485417.db2.gz FBIRIRZWKHNLQS-PMERELPUSA-N 0 3 445.610 6.968 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 ZINC000009046588 569498333 /nfs/dbraw/zinc/49/83/33/569498333.db2.gz CBZNIZRDUSZYLF-GOSISDBHSA-N 0 3 446.414 5.256 50 0 IKAAHN CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CN3CCCC[C@H]3C)cc21 ZINC000245380710 569505575 /nfs/dbraw/zinc/50/55/75/569505575.db2.gz IKXAZHVMIKPYHS-XXBNENTESA-N 0 3 434.580 5.064 50 0 IKAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000009151100 569507386 /nfs/dbraw/zinc/50/73/86/569507386.db2.gz YYFKJEWHNTWVTL-UHFFFAOYSA-N 0 3 428.989 5.200 50 0 IKAAHN CCN1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000009151187 569507482 /nfs/dbraw/zinc/50/74/82/569507482.db2.gz MIOMCGVWOXVZEM-UHFFFAOYSA-N 0 3 448.380 5.415 50 0 IKAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C)cc3s2)o1 ZINC000009187329 569510348 /nfs/dbraw/zinc/51/03/48/569510348.db2.gz VVLMOSFIPOMSDD-FQEVSTJZSA-N 0 3 428.469 5.362 50 0 IKAAHN CC1=C(c2ccccc2)N(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000009287911 569519283 /nfs/dbraw/zinc/51/92/83/569519283.db2.gz VDDUSYQXSVDMQA-IHLOFXLRSA-N 0 3 443.590 7.216 50 0 IKAAHN CC1=C(c2ccccc2)N(Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000009287901 569519294 /nfs/dbraw/zinc/51/92/94/569519294.db2.gz VDDUSYQXSVDMQA-KYJUHHDHSA-N 0 3 443.590 7.216 50 0 IKAAHN Cc1ccc2c(c1)[nH]c(C(=O)NCCN1CCCC[C@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288291 569519350 /nfs/dbraw/zinc/51/93/50/569519350.db2.gz WJEVSNKSXSTWMO-QGZVFWFLSA-N 0 3 442.028 5.885 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009300123 569520569 /nfs/dbraw/zinc/52/05/69/569520569.db2.gz MRVMSAOKTCDCPQ-NRFANRHFSA-N 0 3 430.379 5.737 50 0 IKAAHN CC(C)[C@@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009387091 569528434 /nfs/dbraw/zinc/52/84/34/569528434.db2.gz DURMWSIALPGTGF-MUUNZHRXSA-N 0 3 444.575 5.364 50 0 IKAAHN Brc1c(OCCCN2CCCC[C@H]2c2cccnc2)ccc2ccccc21 ZINC000009410983 569531442 /nfs/dbraw/zinc/53/14/42/569531442.db2.gz DZPPULQLLRCPBO-NRFANRHFSA-N 0 3 425.370 5.993 50 0 biogenic IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009411318 569531515 /nfs/dbraw/zinc/53/15/15/569531515.db2.gz RPTDIMKJZOPARV-OAQYLSRUSA-N 0 3 427.495 5.032 50 0 IKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2ccco2)N1c1nc2ccc(Cl)cc2s1 ZINC000009449313 569536168 /nfs/dbraw/zinc/53/61/68/569536168.db2.gz UTIYMMCQUPSVPN-SFHVURJKSA-N 0 3 434.860 5.399 50 0 IKAAHN COc1ccccc1OCCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009464542 569537737 /nfs/dbraw/zinc/53/77/37/569537737.db2.gz IRFZIYRHTKRRFY-UHFFFAOYSA-N 0 3 445.346 5.423 50 0 IKAAHN COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000009464967 569537767 /nfs/dbraw/zinc/53/77/67/569537767.db2.gz ZUBNXYQNHYIIDE-XMMPIXPASA-N 0 3 444.531 5.056 50 0 IKAAHN COc1ccc([C@H](CNC(=S)Nc2ccc(SC(F)F)cc2)N2CCCC2)cc1 ZINC000009491230 569540342 /nfs/dbraw/zinc/54/03/42/569540342.db2.gz RWESMSWETBMWNG-IBGZPJMESA-N 0 3 437.581 5.133 50 0 IKAAHN Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCCN2CCCCCC2)nn1 ZINC000009578246 569548294 /nfs/dbraw/zinc/54/82/94/569548294.db2.gz JCQIGJIWNLEHSN-UHFFFAOYSA-N 0 3 428.602 5.683 50 0 IKAAHN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cl)s1)C(C)(C)NC(C)(C)C2 ZINC000009639908 569555300 /nfs/dbraw/zinc/55/53/00/569555300.db2.gz AJVFDASRSDRFRP-UHFFFAOYSA-N 0 3 426.991 5.051 50 0 IKAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000009969172 569576006 /nfs/dbraw/zinc/57/60/06/569576006.db2.gz BIAHMJBZKHWCDV-UHFFFAOYSA-N 0 3 428.319 5.170 50 0 IKAAHN Clc1ccc(-c2n[nH]c3ccc(Nc4c5c(nc6ccccc64)CCC5)cc32)cc1Cl ZINC000071405489 569576911 /nfs/dbraw/zinc/57/69/11/569576911.db2.gz PUNHKIRNJONRNZ-UHFFFAOYSA-N 0 3 445.353 7.317 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(F)cc2s1 ZINC000010066529 569577610 /nfs/dbraw/zinc/57/76/10/569577610.db2.gz YSQJCKXYTUAXRG-UHFFFAOYSA-N 0 3 428.558 5.034 50 0 IKAAHN CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@@H](C)O)CC1CC1 ZINC000036308035 569587987 /nfs/dbraw/zinc/58/79/87/569587987.db2.gz ZHCAOULCJWWPIE-LJQANCHMSA-N 0 3 437.559 5.520 50 0 IKAAHN CC(C)[C@@H]1C[C@](CCN2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 ZINC000009420532 132234290 /nfs/dbraw/zinc/23/42/90/132234290.db2.gz VFJFJHQLZRMSMM-SVBPBHIXSA-N 0 3 441.059 5.916 50 0 IKAAHN CC(C)CC(=O)Nc1ccnn1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000012717229 519609346 /nfs/dbraw/zinc/60/93/46/519609346.db2.gz PEANSWQTVXFNDW-UHFFFAOYSA-N 0 3 446.595 5.284 50 0 IKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844718 519652389 /nfs/dbraw/zinc/65/23/89/519652389.db2.gz YINKNSMCTMLGCQ-UHFFFAOYSA-N 0 3 432.505 6.743 50 0 IKAAHN CC(C)CN(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844670 519718854 /nfs/dbraw/zinc/71/88/54/519718854.db2.gz BPAAOVUAOJKJDR-UHFFFAOYSA-N 0 3 436.468 6.492 50 0 IKAAHN CC(C)Oc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cc1 ZINC000012453914 519779192 /nfs/dbraw/zinc/77/91/92/519779192.db2.gz NXBQXRRKAAHBHZ-UHFFFAOYSA-N 0 3 435.593 5.448 50 0 IKAAHN CC(C)[C@@H](C)N(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841204 519791369 /nfs/dbraw/zinc/79/13/69/519791369.db2.gz NCQNSBBKHFBJGX-LJQANCHMSA-N 0 3 432.505 6.741 50 0 IKAAHN CCN(CC)C(=O)C1CCN(Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000012710314 520444655 /nfs/dbraw/zinc/44/46/55/520444655.db2.gz LHFVGDAVICOPEZ-UHFFFAOYSA-N 0 3 444.623 5.237 50 0 IKAAHN CCOc1c(Br)cc(CN[C@H](C)c2ccc(Br)cc2)cc1OC ZINC000022783627 520592461 /nfs/dbraw/zinc/59/24/61/520592461.db2.gz GUAFDRJDDKIOLT-GFCCVEGCSA-N 0 3 443.179 5.470 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2c(cccc2Cl)s1 ZINC000012140872 520639400 /nfs/dbraw/zinc/63/94/00/520639400.db2.gz QHWISHMKCAWTHG-UHFFFAOYSA-N 0 3 445.013 5.548 50 0 IKAAHN CCCCN[C@H](c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1)c1ccccc1 ZINC000012420150 520696252 /nfs/dbraw/zinc/69/62/52/520696252.db2.gz QFPROSYDZYVJDI-QHCPKHFHSA-N 0 3 443.616 6.645 50 0 IKAAHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874901 520719562 /nfs/dbraw/zinc/71/95/62/520719562.db2.gz BKCZXOHLVZPRMT-QHCPKHFHSA-N 0 3 425.956 5.449 50 0 IKAAHN CC1=C2C[C@@H]3[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012884451 520849645 /nfs/dbraw/zinc/84/96/45/520849645.db2.gz FKEAUJZKSIRFAS-MWXBQQNOSA-N 0 3 426.000 5.887 50 0 biogenic IKAAHN CCOc1ccccc1CN1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012302537 521484304 /nfs/dbraw/zinc/48/43/04/521484304.db2.gz FGFHQTRMJQCAIR-GOSISDBHSA-N 0 3 430.976 5.378 50 0 IKAAHN CCc1cccc2c([C@H](CC(=O)NCCN(C)C)c3ccc(Cl)c(Cl)c3)c[nH]c21 ZINC000035908248 521795083 /nfs/dbraw/zinc/79/50/83/521795083.db2.gz VXCQAOJVRXXQSJ-GOSISDBHSA-N 0 3 432.395 5.237 50 0 IKAAHN COC(=O)c1ccc(-c2nc(CN3CCCC[C@@H]3CCc3ccc(O)cc3)c(C)o2)cc1 ZINC000012385554 521926413 /nfs/dbraw/zinc/92/64/13/521926413.db2.gz ALHJHBWKSPDDRG-JOCHJYFZSA-N 0 3 434.536 5.130 50 0 IKAAHN COc1cc(NC(=O)CC[C@@H]2CCCN(Cc3ccc(SC)cc3)C2)cc(OC)c1 ZINC000012199626 522652849 /nfs/dbraw/zinc/65/28/49/522652849.db2.gz UYHSFJAANUQPPY-SFHVURJKSA-N 0 3 428.598 5.057 50 0 IKAAHN CC[C@@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532213 522748314 /nfs/dbraw/zinc/74/83/14/522748314.db2.gz VAJHUHSCASZJAK-OAQYLSRUSA-N 0 3 436.625 5.806 50 0 IKAAHN CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532135 522748528 /nfs/dbraw/zinc/74/85/28/522748528.db2.gz DREZEMPBIMAHSG-GOSISDBHSA-N 0 3 438.597 5.117 50 0 IKAAHN COc1cc2c(cc1CN1CCC(Cc3ccccc3)CC1)oc(C)c2-c1ccccc1 ZINC000022077634 522999914 /nfs/dbraw/zinc/99/99/14/522999914.db2.gz ILUKCVSNPQMHHF-UHFFFAOYSA-N 0 3 425.572 6.872 50 0 IKAAHN COc1cc2cc(CNCc3ccc(C)cc3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012097285 523058109 /nfs/dbraw/zinc/05/81/09/523058109.db2.gz PWWGVYPWHLUTKS-UHFFFAOYSA-N 0 3 434.580 5.197 50 0 IKAAHN COCCCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C ZINC000035841221 523264191 /nfs/dbraw/zinc/26/41/91/523264191.db2.gz QBWOCPFSSBAFIP-UHFFFAOYSA-N 0 3 430.514 5.902 50 0 IKAAHN COc1ccc(CN(CCC(C)C)Cc2cccn2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000035499769 524012251 /nfs/dbraw/zinc/01/22/51/524012251.db2.gz YIOHNNHWUOPIKM-UHFFFAOYSA-N 0 3 444.541 6.612 50 0 IKAAHN COc1ccc(CN2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cc1 ZINC000012746600 524029602 /nfs/dbraw/zinc/02/96/02/524029602.db2.gz IJBSLPSUVNBVRA-QFIPXVFZSA-N 0 3 430.548 5.222 50 0 IKAAHN COc1ccccc1/C=C/CN1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012303180 524316298 /nfs/dbraw/zinc/31/62/98/524316298.db2.gz LNTFQWNTUHBPLZ-MBNRZODZSA-N 0 3 442.987 5.501 50 0 IKAAHN Cc1cccc(CN(C(=O)Nc2ccc(Cl)cc2)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686842 524365336 /nfs/dbraw/zinc/36/53/36/524365336.db2.gz ZWEXAXZVMMCCNA-UHFFFAOYSA-N 0 3 448.998 5.742 50 0 IKAAHN Cc1cccc(CN(C(=O)Nc2cccc(F)c2)C2CCN(Cc3ccccc3)CC2)n1 ZINC000035686847 524366019 /nfs/dbraw/zinc/36/60/19/524366019.db2.gz LFELLPGDZCEHFU-UHFFFAOYSA-N 0 3 432.543 5.228 50 0 IKAAHN C[C@H](CNC(=O)c1cccs1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1 ZINC000012218675 524471736 /nfs/dbraw/zinc/47/17/36/524471736.db2.gz BMEZXGRCYRSANH-HXUWFJFHSA-N 0 3 434.605 5.325 50 0 IKAAHN COc1ccc(NC(=O)c2ccc(CN[C@H](Cc3ccccc3)c3ccccc3)cc2)cc1 ZINC000012928399 524634369 /nfs/dbraw/zinc/63/43/69/524634369.db2.gz IVGPWCARMREURN-MUUNZHRXSA-N 0 3 436.555 6.021 50 0 IKAAHN C[C@@H]1CCc2c(sc3c2CSC(C(=O)NC2CCN(Cc4ccccc4)CC2)=C3)C1 ZINC000020557729 524725763 /nfs/dbraw/zinc/72/57/63/524725763.db2.gz ZPZSYHIUHSOEAC-QGZVFWFLSA-N 0 3 438.662 5.241 50 0 IKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCc4ccco4)CC3)cc3ccccc32)cc1 ZINC000021116214 524767010 /nfs/dbraw/zinc/76/70/10/524767010.db2.gz IRWZZIPYWZHVEJ-UHFFFAOYSA-N 0 3 441.575 5.119 50 0 IKAAHN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(CN3CCCC3)s2)n1 ZINC000020454371 524857156 /nfs/dbraw/zinc/85/71/56/524857156.db2.gz HLGPKDZZTCJXGI-HHHXNRCGSA-N 0 3 442.632 5.676 50 0 IKAAHN Cc1ccccc1N1CCN(CC[C@@H](Oc2ccc(F)cc2C)c2ccc(F)cc2)CC1 ZINC000034726654 525222816 /nfs/dbraw/zinc/22/28/16/525222816.db2.gz FTMKPWYYCHEGIQ-HHHXNRCGSA-N 0 3 436.546 5.914 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3cccc(F)c3)cc2c1[C@H](c1ccccn1)N1CCCCC1 ZINC000021805723 525430456 /nfs/dbraw/zinc/43/04/56/525430456.db2.gz JDJBYQVLPIPGER-SANMLTNESA-N 0 3 442.538 5.838 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1[C@@H](c1ccccn1)N1CCCCC1 ZINC000021805764 525430701 /nfs/dbraw/zinc/43/07/01/525430701.db2.gz GHNVHLSRSDHHJU-AREMUKBSSA-N 0 3 442.538 5.838 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3ccccc3F)cc2c1[C@@H](c1ccccn1)N1CCCCC1 ZINC000021659640 525431158 /nfs/dbraw/zinc/43/11/58/525431158.db2.gz UYXDIKWCLXNSLV-AREMUKBSSA-N 0 3 442.538 5.838 50 0 IKAAHN Cc1ccc([C@@H](C)CCN2CCC[C@@H](c3nc(SCc4cccnc4)ncc3C)C2)o1 ZINC000012152300 525680228 /nfs/dbraw/zinc/68/02/28/525680228.db2.gz HHSDWTZYUSYUHQ-PGRDOPGGSA-N 0 3 436.625 5.747 50 0 IKAAHN COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3ccsc3)CC2)c1 ZINC000012128932 525714999 /nfs/dbraw/zinc/71/49/99/525714999.db2.gz XZFNHWMBYWZNRW-UHFFFAOYSA-N 0 3 442.588 5.655 50 0 IKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1)N1CCCCC1 ZINC000035451516 526302954 /nfs/dbraw/zinc/30/29/54/526302954.db2.gz CCAKYRKHWCACMU-UHFFFAOYSA-N 0 3 433.571 5.053 50 0 IKAAHN c1ccc(CCN2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000035892945 526465071 /nfs/dbraw/zinc/46/50/71/526465071.db2.gz QIVSVYVRHISFEI-UHFFFAOYSA-N 0 3 432.637 5.202 50 0 IKAAHN c1cnc2c(c1)nc(C1CCCCC1)n2C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000012508555 526543579 /nfs/dbraw/zinc/54/35/79/526543579.db2.gz JCPYEZZTADJIQJ-UHFFFAOYSA-N 0 3 432.568 5.087 50 0 IKAAHN O=C(CC[C@H]1CCCN(CC2=Cc3cc(Cl)ccc3OC2)C1)Nc1ccccc1F ZINC000012576141 526569970 /nfs/dbraw/zinc/56/99/70/526569970.db2.gz XRPIKODRNMGXSO-QGZVFWFLSA-N 0 3 428.935 5.386 50 0 IKAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000012376375 526669338 /nfs/dbraw/zinc/66/93/38/526669338.db2.gz OCXAQEGQAVMMIV-UHFFFAOYSA-N 0 3 446.594 6.088 50 0 IKAAHN O=C(c1ccc(OC2CCN(Cc3cccc(OC4CCCC4)c3)CC2)cc1)N1CCCC1 ZINC000012478023 526707303 /nfs/dbraw/zinc/70/73/03/526707303.db2.gz KGHIREUZCSXFPK-UHFFFAOYSA-N 0 3 448.607 5.287 50 0 IKAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682200 526728969 /nfs/dbraw/zinc/72/89/69/526728969.db2.gz KDRJYGDKTBAQFJ-UHFFFAOYSA-N 0 3 435.593 5.076 50 0 IKAAHN O=C(CN[C@H](CCCc1ccccc1)c1ccccc1)Nc1cc2c(cc1Cl)OCO2 ZINC000012874824 526891381 /nfs/dbraw/zinc/89/13/81/526891381.db2.gz BWIHJQOMJAJTQX-OAQYLSRUSA-N 0 3 436.939 5.361 50 0 IKAAHN Cn1cc(CN2CCC(OCc3ccccn3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012195531 527196603 /nfs/dbraw/zinc/19/66/03/527196603.db2.gz MXFIHLIXUBXAQX-UHFFFAOYSA-N 0 3 444.623 5.711 50 0 IKAAHN Cn1cc(CN2CCC([C@H](O)c3ccccn3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012319954 527197668 /nfs/dbraw/zinc/19/76/68/527197668.db2.gz XARPBTFBQZWOLH-NDEPHWFRSA-N 0 3 444.623 5.475 50 0 IKAAHN Cn1cc(CN2CCC([C@@H](O)c3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012448716 527198120 /nfs/dbraw/zinc/19/81/20/527198120.db2.gz ZUKLGHIMOXCQDH-MUUNZHRXSA-N 0 3 444.623 5.475 50 0 IKAAHN O=C(Cn1c(-c2cccs2)cc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000035373591 527348718 /nfs/dbraw/zinc/34/87/18/527348718.db2.gz YUPHNHATERRSPN-UHFFFAOYSA-N 0 3 429.589 5.151 50 0 IKAAHN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(C/C=C/c2ccc(F)cc2)C1 ZINC000012307973 527433890 /nfs/dbraw/zinc/43/38/90/527433890.db2.gz JMCDKRUGWXELCN-LWQICCLCSA-N 0 3 431.511 5.377 50 0 IKAAHN COc1cc2c(cc1OC)[C@H](O)C(C)(C)N(CCC(c1ccccc1)c1ccccc1)C2 ZINC000000755133 555553778 /nfs/dbraw/zinc/55/37/78/555553778.db2.gz LWHIZVSTKKDMAP-MHZLTWQESA-N 0 3 431.576 5.554 50 0 biogenic IKAAHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000002177968 555752842 /nfs/dbraw/zinc/75/28/42/555752842.db2.gz JBNKFMJUNYELGY-SFHVURJKSA-N 0 3 440.381 6.278 50 0 IKAAHN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000034671598 555793047 /nfs/dbraw/zinc/79/30/47/555793047.db2.gz BZGNDTZUVYELPW-IZLXSDGUSA-N 0 3 442.603 5.436 50 0 IKAAHN CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccc(C)cc1)CC2 ZINC000034671600 555793196 /nfs/dbraw/zinc/79/31/96/555793196.db2.gz BZGNDTZUVYELPW-WUFINQPMSA-N 0 3 442.603 5.436 50 0 IKAAHN Cc1cccc(CN2CCc3ccc(O[C@@H](C)C(=O)NC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000034671815 555793419 /nfs/dbraw/zinc/79/34/19/555793419.db2.gz ACMDUCRFEHHFLQ-RBTNQOKQSA-N 0 3 440.587 5.189 50 0 IKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698766 555812324 /nfs/dbraw/zinc/81/23/24/555812324.db2.gz XPMZOHXHEZSRQC-ATIYNZHBSA-N 0 3 433.571 5.229 50 0 IKAAHN Cc1ccccc1[C@H]1CN(Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698767 555812475 /nfs/dbraw/zinc/81/24/75/555812475.db2.gz XPMZOHXHEZSRQC-GJZUVCINSA-N 0 3 433.571 5.229 50 0 IKAAHN Cc1ccc(CN2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)o1 ZINC000034698954 555812518 /nfs/dbraw/zinc/81/25/18/555812518.db2.gz LAYZZVWVEAYMPA-XTEPFMGCSA-N 0 3 444.619 5.910 50 0 IKAAHN Cc1ccccc1[C@@H]1CN(Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698794 555812524 /nfs/dbraw/zinc/81/25/24/555812524.db2.gz CDIYKANMJTXJDE-SHQCIBLASA-N 0 3 429.608 5.100 50 0 IKAAHN CC(C)CN(C[C@@H]1CN(Cc2ccccn2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000034698984 555812538 /nfs/dbraw/zinc/81/25/38/555812538.db2.gz MTFSYEJGJHCSJB-JYFHCDHNSA-N 0 3 445.582 5.235 50 0 IKAAHN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4)CC3)nc2)cc1 ZINC000034681640 555814954 /nfs/dbraw/zinc/81/49/54/555814954.db2.gz IXKCJARRTJLRRS-UHFFFAOYSA-N 0 3 442.607 5.344 50 0 IKAAHN CC[C@H](C(=O)Nc1ccc(N2CCCN(Cc3cccc(C)c3)CC2)nc1)c1ccccc1 ZINC000034681895 555815762 /nfs/dbraw/zinc/81/57/62/555815762.db2.gz LVPMRNHXYCZPAS-SANMLTNESA-N 0 3 442.607 5.235 50 0 IKAAHN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000034682899 555817509 /nfs/dbraw/zinc/81/75/09/555817509.db2.gz MQCBLCPAVGHPOZ-UHFFFAOYSA-N 0 3 444.594 6.569 50 0 IKAAHN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000034683599 555819102 /nfs/dbraw/zinc/81/91/02/555819102.db2.gz XWDUMGKEVCSKRN-UHFFFAOYSA-N 0 3 446.566 5.763 50 0 IKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)cc1C ZINC000034683573 555819133 /nfs/dbraw/zinc/81/91/33/555819133.db2.gz WEWATUQJJDCKML-UHFFFAOYSA-N 0 3 434.530 5.893 50 0 IKAAHN COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683608 555819151 /nfs/dbraw/zinc/81/91/51/555819151.db2.gz YKKZQIRYQIKOAF-UHFFFAOYSA-N 0 3 428.576 5.623 50 0 IKAAHN Cc1ccc(N(C2CCN(CCC(C)C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683753 555819528 /nfs/dbraw/zinc/81/95/28/555819528.db2.gz MCYLFYFCRBXLGM-UHFFFAOYSA-N 0 3 435.033 5.354 50 0 IKAAHN Cc1cccc(CNC(=O)[C@@H]2C[C@H](c3ccccc3)CN(Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711390 555824567 /nfs/dbraw/zinc/82/45/67/555824567.db2.gz PBRQTRFVQCMQAC-BJKOFHAPSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1cc(C)c(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Br)c1 ZINC000002841193 555835586 /nfs/dbraw/zinc/83/55/86/555835586.db2.gz CCOJPQJQJILWDW-UHFFFAOYSA-N 0 3 431.374 5.069 50 0 IKAAHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(I)c1OC(C)C ZINC000002863713 555846389 /nfs/dbraw/zinc/84/63/89/555846389.db2.gz YQOQQCJSJXOSBT-HNNXBMFYSA-N 0 3 439.337 5.328 50 0 IKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNCc1ccccc1 ZINC000002914327 555862250 /nfs/dbraw/zinc/86/22/50/555862250.db2.gz DYRKYRSWTTUQDQ-MHZLTWQESA-N 0 3 446.594 6.434 50 0 IKAAHN Cc1ccc(O[C@@H](CCN2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000034728587 555868584 /nfs/dbraw/zinc/86/85/84/555868584.db2.gz LAEJPVFKCAKJGR-MHZLTWQESA-N 0 3 435.011 5.976 50 0 IKAAHN CN(CC[C@@H](Oc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000034728479 555868716 /nfs/dbraw/zinc/86/87/16/555868716.db2.gz MEIDFSKYSGUDDH-OAQYLSRUSA-N 0 3 427.903 5.850 50 0 IKAAHN Cc1ccc(C(=O)NCCCc2ccccc2)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000034730038 555869669 /nfs/dbraw/zinc/86/96/69/555869669.db2.gz DLSJVGGBSZENGH-UHFFFAOYSA-N 0 3 445.582 5.271 50 0 IKAAHN Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000034730111 555869724 /nfs/dbraw/zinc/86/97/24/555869724.db2.gz UFDNIFQKAXHHNG-ATIYNZHBSA-N 0 3 449.614 5.704 50 0 IKAAHN Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000002979267 555871177 /nfs/dbraw/zinc/87/11/77/555871177.db2.gz HOIGDCZYTBQVND-UHFFFAOYSA-N 0 3 432.995 6.355 50 0 IKAAHN COc1ccc(CN2CCC(c3nc(C)ccc3C(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000034725801 555881819 /nfs/dbraw/zinc/88/18/19/555881819.db2.gz XOPFJRXLRIHVSD-UHFFFAOYSA-N 0 3 443.591 5.017 50 0 IKAAHN Cc1cc(O[C@@H](CCN2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc(C(C)C)c1 ZINC000034727191 555882307 /nfs/dbraw/zinc/88/23/07/555882307.db2.gz DULFVTWEIMQJEN-LJAQVGFWSA-N 0 3 446.610 6.590 50 0 IKAAHN COc1cccc([C@H]2CN(Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740318 555883244 /nfs/dbraw/zinc/88/32/44/555883244.db2.gz AWVONRIQQGFJOA-LADGPHEKSA-N 0 3 428.642 5.113 50 0 IKAAHN O=C(NCCSc1ccccn1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004088942 555961126 /nfs/dbraw/zinc/96/11/26/555961126.db2.gz HGHGFTSDVSJLCV-UHFFFAOYSA-N 0 3 445.632 5.058 50 0 IKAAHN CCCCCOc1cccc(NC(=O)OC(CN2CCCCC2)CN2CCCCC2)c1 ZINC000004566958 556001461 /nfs/dbraw/zinc/00/14/61/556001461.db2.gz TZOXKFPOSPBVEI-UHFFFAOYSA-N 0 3 431.621 5.145 50 0 IKAAHN Cc1ccc(CNC(=O)C2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000004672517 556005937 /nfs/dbraw/zinc/00/59/37/556005937.db2.gz VVOZUWZBUHMMSD-UHFFFAOYSA-N 0 3 428.576 5.102 50 0 IKAAHN COc1ccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000004676217 556005988 /nfs/dbraw/zinc/00/59/88/556005988.db2.gz JAUOVTMQVAOXOT-UHFFFAOYSA-N 0 3 428.576 5.080 50 0 IKAAHN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C(C)C)CC2)cc1 ZINC000006832722 556105824 /nfs/dbraw/zinc/10/58/24/556105824.db2.gz AKVNLPAONHYBMO-QFIPXVFZSA-N 0 3 425.960 5.093 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@]1(N3CCCCC3)CCCC[C@H]1[C@H]2c1ccccc1 ZINC000008399493 556165288 /nfs/dbraw/zinc/16/52/88/556165288.db2.gz XHZACPFETSQKJX-GHXPTAAOSA-N 0 3 439.643 7.694 50 0 IKAAHN Cc1c(Cl)cccc1-c1ccc(CNCCCSc2nnnn2-c2ccccc2)o1 ZINC000008914721 556232036 /nfs/dbraw/zinc/23/20/36/556232036.db2.gz BFWQCRNTJNJMSO-UHFFFAOYSA-N 0 3 439.972 5.156 50 0 IKAAHN COc1cc(CN(CCc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1 ZINC000009763575 556308689 /nfs/dbraw/zinc/30/86/89/556308689.db2.gz TYZUSUXKNZIZJW-UHFFFAOYSA-N 0 3 437.583 6.519 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 ZINC000013811609 556312577 /nfs/dbraw/zinc/31/25/77/556312577.db2.gz DYIUZWZEWWAQJR-SFHVURJKSA-N 0 3 446.414 5.255 50 0 IKAAHN COc1cccc(CN2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000013896454 556329617 /nfs/dbraw/zinc/32/96/17/556329617.db2.gz SEVPUHOYOWORMA-UHFFFAOYSA-N 0 3 442.603 5.179 50 0 IKAAHN CCc1ccc(CN2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000013899272 556330838 /nfs/dbraw/zinc/33/08/38/556330838.db2.gz WUFDFJVEIYMJFZ-UHFFFAOYSA-N 0 3 440.631 5.733 50 0 IKAAHN Cc1cccc(CNC(=O)[C@H]2CC23CCN(Cc2cccc(Oc4ccccc4)c2)CC3)n1 ZINC000011790953 556355718 /nfs/dbraw/zinc/35/57/18/556355718.db2.gz COOSXOAXYUODNI-AREMUKBSSA-N 0 3 441.575 5.101 50 0 IKAAHN COc1cccc(-c2cc3c(c(OC)c2)OCCN(CC[C@H](C)c2ccccc2)C3)c1OC ZINC000011815673 556358706 /nfs/dbraw/zinc/35/87/06/556358706.db2.gz JVUTYFVODYYMPZ-FQEVSTJZSA-N 0 3 447.575 5.768 50 0 IKAAHN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCCC[C@H]1CCc1ccccn1 ZINC000011822113 556363340 /nfs/dbraw/zinc/36/33/40/556363340.db2.gz ZRODOPSSDNYMBX-SFHVURJKSA-N 0 3 439.943 5.414 50 0 IKAAHN Cc1cc(C)cc(NC(=O)[C@H]2CC23CCN(Cc2ccc(Oc4ncccn4)cc2)CC3)c1 ZINC000011871397 556369001 /nfs/dbraw/zinc/36/90/01/556369001.db2.gz LPIBFJPCLIHEHW-XMMPIXPASA-N 0 3 442.563 5.127 50 0 IKAAHN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCCCC3)no2)cc1 ZINC000011905304 556373996 /nfs/dbraw/zinc/37/39/96/556373996.db2.gz YLKPSNXYNWOSSH-DEOSSOPVSA-N 0 3 433.552 5.006 50 0 IKAAHN COC(=O)c1sc2nc(CN3CCCCCC3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000011908886 556374298 /nfs/dbraw/zinc/37/42/98/556374298.db2.gz PATYCQHSZNRWMX-UHFFFAOYSA-N 0 3 443.594 5.081 50 0 IKAAHN CC(C)NCC(=O)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F ZINC000014169799 556380824 /nfs/dbraw/zinc/38/08/24/556380824.db2.gz KXTBWWMDNASPTG-UHFFFAOYSA-N 0 3 431.252 5.197 50 0 IKAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(OC3CCCC3)c2)CC1)c1ccccc1 ZINC000012029189 556388630 /nfs/dbraw/zinc/38/86/30/556388630.db2.gz NCERUOKATNUVPO-UHFFFAOYSA-N 0 3 444.579 5.294 50 0 IKAAHN O=C(NCCCOc1ccc(CN2CC=C(c3ccccc3)CC2)cc1)c1cccc(F)c1 ZINC000012034363 556389214 /nfs/dbraw/zinc/38/92/14/556389214.db2.gz WMWISZMJALTTHK-UHFFFAOYSA-N 0 3 444.550 5.314 50 0 IKAAHN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(Cc2ccc3nonc3c2)CC1 ZINC000012058072 556394868 /nfs/dbraw/zinc/39/48/68/556394868.db2.gz JEGIRKCMMHFFGV-UHFFFAOYSA-N 0 3 446.482 5.005 50 0 IKAAHN CC1CCN([C@@H](CNC(=O)Cc2csc(-c3cccs3)n2)c2cccs2)CC1 ZINC000012973013 556419312 /nfs/dbraw/zinc/41/93/12/556419312.db2.gz LVAGBMCGEBKSKG-KRWDZBQOSA-N 0 3 431.652 5.065 50 0 IKAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H](c1cccs1)c1ccccc1 ZINC000014670853 556431372 /nfs/dbraw/zinc/43/13/72/556431372.db2.gz OFAYBEXHISKISS-RPLLCQBOSA-N 0 3 426.585 5.527 50 0 IKAAHN O=C(CN[C@H](Cc1ccccc1)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013001339 556433292 /nfs/dbraw/zinc/43/32/92/556433292.db2.gz ADNYDWVGONNMLT-HXUWFJFHSA-N 0 3 433.766 6.159 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cccnc1Sc1ccccc1Cl ZINC000013019414 556439375 /nfs/dbraw/zinc/43/93/75/556439375.db2.gz RQUGUHXFMRVQFN-UHFFFAOYSA-N 0 3 437.996 5.281 50 0 IKAAHN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027991529 556440084 /nfs/dbraw/zinc/44/00/84/556440084.db2.gz HCYHDSCFQFGOPO-IBGZPJMESA-N 0 3 431.001 6.112 50 0 IKAAHN Cc1c2cc(Cl)c(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C ZINC000028289690 556449216 /nfs/dbraw/zinc/44/92/16/556449216.db2.gz AXZPTBIHPWCFCN-NRFANRHFSA-N 0 3 426.988 6.033 50 0 IKAAHN CCSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(CC)CC)n1 ZINC000028290879 556449771 /nfs/dbraw/zinc/44/97/71/556449771.db2.gz IZGPNVMWYXTPJX-IBGZPJMESA-N 0 3 449.064 5.352 50 0 IKAAHN COc1cccc([C@@H](CNc2nc(C)nc3sc4c(c32)CCCCC4)N2CCCC2)c1 ZINC000013069908 556452906 /nfs/dbraw/zinc/45/29/06/556452906.db2.gz XAHDCDUYEXTVRO-OAQYLSRUSA-N 0 3 436.625 5.526 50 0 IKAAHN CSc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000014953961 556461537 /nfs/dbraw/zinc/46/15/37/556461537.db2.gz SBANDZQTIFVEEC-UHFFFAOYSA-N 0 3 441.000 5.348 50 0 IKAAHN O=C(NCc1cccs1)[C@H]1CC12CCN(Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014966701 556465862 /nfs/dbraw/zinc/46/58/62/556465862.db2.gz TUIRLYNSVDOOTI-RUZDIDTESA-N 0 3 428.601 5.238 50 0 IKAAHN COc1cccc(-n2c(SC)nnc2C2CCN(C/C(C)=C/c3ccccc3)CC2)c1 ZINC000014982649 556471762 /nfs/dbraw/zinc/47/17/62/556471762.db2.gz PFIKIBXTRJFUDP-KNTRCKAVSA-N 0 3 434.609 5.281 50 0 IKAAHN CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)C(C)S(C)(=O)=O)cc2F)cc1 ZINC000072285148 556475671 /nfs/dbraw/zinc/47/56/71/556475671.db2.gz ZEMVITPHVBFUKN-CVEARBPZSA-N 0 3 437.602 5.053 50 0 IKAAHN O=C(c1ccc(Cl)cc1OC1CCN(CCCC(F)(F)F)CC1)N1CCCCC1 ZINC000015063008 556490996 /nfs/dbraw/zinc/49/09/96/556490996.db2.gz CERZFIBWVIHAJQ-UHFFFAOYSA-N 0 3 432.914 5.152 50 0 IKAAHN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)c(C)c1 ZINC000015064118 556491839 /nfs/dbraw/zinc/49/18/39/556491839.db2.gz LOAANVXDJJHHIO-HXUWFJFHSA-N 0 3 432.568 5.025 50 0 IKAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)c(C)c1 ZINC000015064117 556491875 /nfs/dbraw/zinc/49/18/75/556491875.db2.gz LOAANVXDJJHHIO-FQEVSTJZSA-N 0 3 432.568 5.025 50 0 IKAAHN Cc1ccsc1CN1CCC(Oc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000015067413 556493322 /nfs/dbraw/zinc/49/33/22/556493322.db2.gz JRURLTOSBPCRAF-UHFFFAOYSA-N 0 3 433.017 5.379 50 0 IKAAHN CCN(CC)C(=O)C1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1 ZINC000015079208 556500268 /nfs/dbraw/zinc/50/02/68/556500268.db2.gz WMVCOGCLCSHZFD-UHFFFAOYSA-N 0 3 444.623 5.237 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013511965 556510566 /nfs/dbraw/zinc/51/05/66/556510566.db2.gz IKXHSWHUXBQRKK-DSNGMDLFSA-N 0 3 438.458 5.030 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 ZINC000013584350 556528782 /nfs/dbraw/zinc/52/87/82/556528782.db2.gz USRCHPQBGWNFGB-HHHXNRCGSA-N 0 3 437.587 6.099 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013619150 556536108 /nfs/dbraw/zinc/53/61/08/556536108.db2.gz LQJFIUWHNSEFRA-QHAWAJNXSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1cc2occ(CC(=O)Nc3ccc(CCN4CCC(O)CC4)cc3)c2cc1C(C)C ZINC000072304692 556549172 /nfs/dbraw/zinc/54/91/72/556549172.db2.gz RDCMCHHKBPZQSW-UHFFFAOYSA-N 0 3 434.580 5.045 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@]1(N3CCCCC3)CCCC[C@@H]1[C@H]2c1ccccc1 ZINC000033632344 556566629 /nfs/dbraw/zinc/56/66/29/556566629.db2.gz XHZACPFETSQKJX-ICTYBPMDSA-N 0 3 439.643 7.694 50 0 IKAAHN O=C(c1ccc(Cl)cc1)[C@@H]1CN(C2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000033850958 556568771 /nfs/dbraw/zinc/56/87/71/556568771.db2.gz CPVHOEXRGVOAQJ-UPVQGACJSA-N 0 3 432.391 5.719 50 0 IKAAHN Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000016282627 556596682 /nfs/dbraw/zinc/59/66/82/556596682.db2.gz SNMIFANRKLUTRI-UHFFFAOYSA-N 0 3 432.995 6.355 50 0 IKAAHN CC1CCN([C@H](CNC(=O)CCCc2nc3ccccc3s2)c2cccs2)CC1 ZINC000032983116 556601644 /nfs/dbraw/zinc/60/16/44/556601644.db2.gz MWBGADYMMMRAFQ-LJQANCHMSA-N 0 3 427.639 5.270 50 0 IKAAHN O=C(Cc1cccc2ccccc21)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000016361186 556602260 /nfs/dbraw/zinc/60/22/60/556602260.db2.gz JFFCVFBODZPUKU-UHFFFAOYSA-N 0 3 435.571 5.343 50 0 IKAAHN CCOc1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c3ccc(Cl)c(C)c3n2)c1 ZINC000016392135 556604618 /nfs/dbraw/zinc/60/46/18/556604618.db2.gz PUICTJZAFNYPTG-UHFFFAOYSA-N 0 3 437.971 5.086 50 0 IKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc(Cl)ccc1Cl ZINC000016479878 556611407 /nfs/dbraw/zinc/61/14/07/556611407.db2.gz QBZVEMNLZGNARS-UHFFFAOYSA-N 0 3 440.374 5.568 50 0 IKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000005091950 556633595 /nfs/dbraw/zinc/63/35/95/556633595.db2.gz WOSIRNLEJAAQTM-NRFANRHFSA-N 0 3 425.960 5.093 50 0 IKAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(OC)c1OC ZINC000043136052 556661060 /nfs/dbraw/zinc/66/10/60/556661060.db2.gz ZSMYPPSJGIUZBJ-QGZVFWFLSA-N 0 3 441.959 5.136 50 0 IKAAHN COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N([C@@H]1CCc3ccccc3C1)CC2 ZINC000043159166 556661262 /nfs/dbraw/zinc/66/12/62/556661262.db2.gz GCHICBJQVBZXBS-YIXXDRMTSA-N 0 3 433.979 5.862 50 0 IKAAHN Cc1ccccc1[C@@H]1CN(Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248124896 556668163 /nfs/dbraw/zinc/66/81/63/556668163.db2.gz ZWCOCJLHTMXBGQ-AHKZPQOWSA-N 0 3 444.594 5.901 50 0 IKAAHN Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)o1 ZINC000248231967 556676577 /nfs/dbraw/zinc/67/65/77/556676577.db2.gz LAYZZVWVEAYMPA-XCZPVHLTSA-N 0 3 444.619 5.910 50 0 IKAAHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@@H]12 ZINC000248264818 556677719 /nfs/dbraw/zinc/67/77/19/556677719.db2.gz XLGCRVRNEPZDCK-WYZBVHOTSA-N 0 3 445.007 5.074 50 0 IKAAHN COc1cc2nc(-c3ccccc3)c(CN[C@H](C)c3cccs3)cc2c(OC)c1OC ZINC000055042455 556732766 /nfs/dbraw/zinc/73/27/66/556732766.db2.gz JDUDVIVGEBKZFF-MRXNPFEDSA-N 0 3 434.561 5.840 50 0 IKAAHN CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000055529238 556741816 /nfs/dbraw/zinc/74/18/16/556741816.db2.gz RRIOLUDNDNWXTM-UHFFFAOYSA-N 0 3 443.591 5.150 50 0 IKAAHN Clc1ccc2c(c1)[C@@H](N1CCN(CCCc3ccccc3)CC1)Cc1ccccc1S2 ZINC000019370901 556748353 /nfs/dbraw/zinc/74/83/53/556748353.db2.gz MEDWDHFXMSTIMQ-VWLOTQADSA-N 0 3 449.063 6.339 50 0 IKAAHN c1ccc(-c2c3ccccn3c([C@H](c3ccccn3)N3CCCCC3)c2-c2ccccc2)cc1 ZINC000002546170 556761433 /nfs/dbraw/zinc/76/14/33/556761433.db2.gz RVLYMVUGLVHRFS-PMERELPUSA-N 0 3 443.594 7.244 50 0 IKAAHN c1ccc(-c2c3ccccn3c([C@@H](c3ccccn3)N3CCCCC3)c2-c2ccccc2)cc1 ZINC000002546164 556761580 /nfs/dbraw/zinc/76/15/80/556761580.db2.gz RVLYMVUGLVHRFS-SSEXGKCCSA-N 0 3 443.594 7.244 50 0 IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)CC1 ZINC000061992799 556766947 /nfs/dbraw/zinc/76/69/47/556766947.db2.gz SDFFXZBPKQGUHN-LXRCUPKFSA-N 0 3 441.015 5.005 50 0 biogenic IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 ZINC000061992842 556767163 /nfs/dbraw/zinc/76/71/63/556767163.db2.gz RSUMDFBTCAAZNY-ZVCRQVTJSA-N 0 3 443.031 5.085 50 0 biogenic IKAAHN CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058268053 556776987 /nfs/dbraw/zinc/77/69/87/556776987.db2.gz TVXJLUHLHGEDOK-FQEVSTJZSA-N 0 3 433.518 5.021 50 0 IKAAHN O=c1cc(CN2CCC(Cc3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000005552694 556823369 /nfs/dbraw/zinc/82/33/69/556823369.db2.gz VIGXWSFLXWHHSI-UHFFFAOYSA-N 0 3 425.528 5.620 50 0 IKAAHN COc1cccc(C[C@@H](C)N2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)c1 ZINC000019607928 556831419 /nfs/dbraw/zinc/83/14/19/556831419.db2.gz BWYVJHGRJVTHSD-HXUWFJFHSA-N 0 3 447.583 5.112 50 0 IKAAHN C[C@H]1CCc2sc3ncnc(N4CCN(Cc5cccc6ccccc65)CC4)c3c2C1 ZINC000019682057 556841869 /nfs/dbraw/zinc/84/18/69/556841869.db2.gz SGRGRILEIUCSQH-SFHVURJKSA-N 0 3 428.605 5.292 50 0 IKAAHN Cc1cc(C)nc(CCNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)n1 ZINC000067851377 556847418 /nfs/dbraw/zinc/84/74/18/556847418.db2.gz PWUZKGWKHLAHMP-UHFFFAOYSA-N 0 3 435.934 5.071 50 0 IKAAHN Cc1ccc2[nH]c3c(ncnc3N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000019707392 556866886 /nfs/dbraw/zinc/86/68/86/556866886.db2.gz ARGIXZNUJRDJCP-UHFFFAOYSA-N 0 3 433.559 5.331 50 0 IKAAHN Cc1ccc(-c2n[nH]cc2CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000019722281 556876465 /nfs/dbraw/zinc/87/64/65/556876465.db2.gz RSLRDDDKXGZIEP-UHFFFAOYSA-N 0 3 436.603 5.601 50 0 IKAAHN CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004680530 556878546 /nfs/dbraw/zinc/87/85/46/556878546.db2.gz QVLORXORUCAJPX-UHFFFAOYSA-N 0 3 428.576 5.136 50 0 IKAAHN Cn1cc(CN[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(F)cc2)c(-c2ccccc2)n1 ZINC000019740178 556879811 /nfs/dbraw/zinc/87/98/11/556879811.db2.gz XEVIGLROUZFLSU-QHCPKHFHSA-N 0 3 429.543 5.215 50 0 IKAAHN CCN1CCC[C@@H](NC(=O)c2ccccc2Nc2ccnc3c2cccc3C(F)(F)F)C1 ZINC000071770916 556888104 /nfs/dbraw/zinc/88/81/04/556888104.db2.gz UHAUAYGYPVRSST-MRXNPFEDSA-N 0 3 442.485 5.211 50 0 IKAAHN Fc1ccc(-n2cc(CN3CCC[C@H](c4n[nH]cc4-c4c(F)cccc4F)C3)cn2)cc1 ZINC000019794968 556915923 /nfs/dbraw/zinc/91/59/23/556915923.db2.gz CLJRWMKVSMLGHD-KRWDZBQOSA-N 0 3 437.469 5.059 50 0 IKAAHN CCOc1ccccc1O[C@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019802166 556917873 /nfs/dbraw/zinc/91/78/73/556917873.db2.gz SJZMMVNKRFNDPW-AREMUKBSSA-N 0 3 430.592 5.413 50 0 IKAAHN COc1ccccc1OCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020118556 556987041 /nfs/dbraw/zinc/98/70/41/556987041.db2.gz LIVWJOWBAOASLL-UHFFFAOYSA-N 0 3 430.592 5.261 50 0 IKAAHN CC(C)CN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032266 557024780 /nfs/dbraw/zinc/02/47/80/557024780.db2.gz PBRHNEVZVVVADZ-UHFFFAOYSA-N 0 3 445.032 5.510 50 0 IKAAHN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1C(C(=O)c1cccc3ccccc31)CC(=O)N2 ZINC000046056539 557028424 /nfs/dbraw/zinc/02/84/24/557028424.db2.gz JRGYHJPGVHXVHQ-FQEVSTJZSA-N 0 3 429.907 5.604 50 0 IKAAHN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCc1cccc(Cn2ccnc2C)c1 ZINC000048234809 557046409 /nfs/dbraw/zinc/04/64/09/557046409.db2.gz MHZBAIUJXMGPFM-UHFFFAOYSA-N 0 3 440.378 5.331 50 0 IKAAHN C(=C/c1ccccc1)\CN1CCN([C@@H](c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000022930075 557049855 /nfs/dbraw/zinc/04/98/55/557049855.db2.gz QKHFYDWHKIPGFA-KVWOZJIWSA-N 0 3 444.622 6.774 50 0 IKAAHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3Cl)n3c4ccccc4nc32)cc1 ZINC000023382106 557089221 /nfs/dbraw/zinc/08/92/21/557089221.db2.gz XBBNWYRVSMNWCG-JOCHJYFZSA-N 0 3 444.922 5.115 50 0 IKAAHN O=C(NCc1ccccc1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000049535952 557110208 /nfs/dbraw/zinc/11/02/08/557110208.db2.gz XXLLOUUHZDZJRQ-UHFFFAOYSA-N 0 3 437.587 5.218 50 0 IKAAHN CCCc1nc(-c2cc3cccc(C)c3nc2NCCN2CCc3ccccc3C2)no1 ZINC000033331586 557115313 /nfs/dbraw/zinc/11/53/13/557115313.db2.gz MUPRJQZPZQUDBV-UHFFFAOYSA-N 0 3 427.552 5.016 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(Cl)cc2s1 ZINC000011612418 557208666 /nfs/dbraw/zinc/20/86/66/557208666.db2.gz URCVIPMEDYVSMF-UHFFFAOYSA-N 0 3 437.996 6.092 50 0 IKAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)o1 ZINC000011614334 557210820 /nfs/dbraw/zinc/21/08/20/557210820.db2.gz SECYWCJGQCAMEA-LJQANCHMSA-N 0 3 448.887 5.707 50 0 IKAAHN CC(C)(C)c1ccc([C@@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)cc1 ZINC000025719539 557223291 /nfs/dbraw/zinc/22/32/91/557223291.db2.gz JZQOEUZYAMGYPE-BWKNWUBXSA-N 0 3 449.425 7.597 50 0 IKAAHN Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000101161583 557257350 /nfs/dbraw/zinc/25/73/50/557257350.db2.gz UMZFKDLJITZBCJ-NXCFDTQHSA-N 0 3 434.495 5.199 50 0 IKAAHN CCCCC[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343531 557279449 /nfs/dbraw/zinc/27/94/49/557279449.db2.gz INXGAHHQCIHNOR-IICWPQHPSA-N 0 3 443.631 6.897 50 0 IKAAHN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000013116954 557296397 /nfs/dbraw/zinc/29/63/97/557296397.db2.gz AWYFKUGPMHUVPQ-HSZRJFAPSA-N 0 3 437.465 5.699 50 0 IKAAHN O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000101889340 557305669 /nfs/dbraw/zinc/30/56/69/557305669.db2.gz IBKYNEFOMSOAHD-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101889340 557305670 /nfs/dbraw/zinc/30/56/70/557305670.db2.gz IBKYNEFOMSOAHD-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN CCCCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccc(Cl)c(Cl)c1 ZINC000102924748 557310074 /nfs/dbraw/zinc/31/00/74/557310074.db2.gz QNXQIEXQGLIJBX-NJDAHSKKSA-N 0 3 447.362 5.642 50 0 IKAAHN C[C@H](NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccc2ccccc21 ZINC000014185779 557314636 /nfs/dbraw/zinc/31/46/36/557314636.db2.gz UXLOQKRHQLCPRE-SFHVURJKSA-N 0 3 429.589 5.506 50 0 IKAAHN Cc1ccc(CN(Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc1 ZINC000033268827 557328605 /nfs/dbraw/zinc/32/86/05/557328605.db2.gz KABLVIRYYXRAMC-UHFFFAOYSA-N 0 3 435.568 5.529 50 0 IKAAHN CCCN(Cc1csc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)n1)CC1CC1 ZINC000023436871 557354283 /nfs/dbraw/zinc/35/42/83/557354283.db2.gz CRHYIJAHVLKYNJ-UHFFFAOYSA-N 0 3 446.538 6.998 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736698 557371159 /nfs/dbraw/zinc/37/11/59/557371159.db2.gz QDBHHIFPYJLHRN-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1[C@H]2C(=C([O-])N1c1c(Cl)cccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102733432 557372083 /nfs/dbraw/zinc/37/20/83/557372083.db2.gz GWFDKPXTLMKEHJ-SVFBPWRDSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000102733432 557372084 /nfs/dbraw/zinc/37/20/84/557372084.db2.gz GWFDKPXTLMKEHJ-SVFBPWRDSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102735942 557373376 /nfs/dbraw/zinc/37/33/76/557373376.db2.gz IZRGMSVRVHAMNO-ISJGIBHGSA-N 0 3 438.458 5.030 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102736177 557373707 /nfs/dbraw/zinc/37/37/07/557373707.db2.gz SALBNUSWSPILRS-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000102717385 557375160 /nfs/dbraw/zinc/37/51/60/557375160.db2.gz LIEWMCGEEMYSGL-RJGXRXQPSA-N 0 3 432.907 5.008 50 0 IKAAHN CCN1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4ccccc4Cl)cn32)CC1 ZINC000103495097 557437876 /nfs/dbraw/zinc/43/78/76/557437876.db2.gz RUHQFYSAHLCYPJ-UHFFFAOYSA-N 0 3 430.983 5.459 50 0 IKAAHN COc1cccc([C@@H]2CN(Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105049968 557473842 /nfs/dbraw/zinc/47/38/42/557473842.db2.gz AWVONRIQQGFJOA-VWNXMTODSA-N 0 3 428.642 5.113 50 0 IKAAHN COc1ccccc1[C@H]1CN(Cc2cc(C)c(C)o2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000105049948 557473973 /nfs/dbraw/zinc/47/39/73/557473973.db2.gz VUAJCQXHVVSRPJ-RDGATRHJSA-N 0 3 440.628 5.261 50 0 IKAAHN Cc1cc(CN2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)oc1C ZINC000105050486 557474291 /nfs/dbraw/zinc/47/42/91/557474291.db2.gz CPBCGTTWUREHCM-WIOPSUGQSA-N 0 3 428.592 5.392 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000051329988 557497410 /nfs/dbraw/zinc/49/74/10/557497410.db2.gz LGKRFJCIXFSLEJ-SANMLTNESA-N 0 3 425.576 5.894 50 0 IKAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000229988930 557834848 /nfs/dbraw/zinc/83/48/48/557834848.db2.gz DNRSHPPENRRNNQ-MDNUFGMLSA-N 0 3 432.907 5.008 50 0 IKAAHN C[C@@H](c1nccs1)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012300902 562981056 /nfs/dbraw/zinc/98/10/56/562981056.db2.gz CGIGALWQMLKWKR-FQEVSTJZSA-N 0 3 449.620 5.062 50 0 IKAAHN CCn1ncc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c1C ZINC000014949064 563015585 /nfs/dbraw/zinc/01/55/85/563015585.db2.gz PZHQTEVQGUAXTM-JOCHJYFZSA-N 0 3 441.579 5.210 50 0 IKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2cccc(C)c2C)c1 ZINC000001322492 568780248 /nfs/dbraw/zinc/78/02/48/568780248.db2.gz AYVLMYXKNHLAAI-HHHXNRCGSA-N 0 3 442.559 5.616 50 0 biogenic IKAAHN Cc1oc(-c2ccc(C(=O)NCCN3CCCCCC3)cc2)nc1COc1ccc(C)cc1 ZINC000015682140 568807160 /nfs/dbraw/zinc/80/71/60/568807160.db2.gz FEQMDFYMADPANY-UHFFFAOYSA-N 0 3 447.579 5.143 50 0 IKAAHN Cc1cc2ccccc2n1-c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 ZINC000015732332 568815259 /nfs/dbraw/zinc/81/52/59/568815259.db2.gz JCKRHUDWXQLMHW-UHFFFAOYSA-N 0 3 429.589 5.395 50 0 IKAAHN Fc1ccc([C@@H](NC2CCN(Cc3ccccc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733627 568815889 /nfs/dbraw/zinc/81/58/89/568815889.db2.gz LBEZSDPDQZDFNO-RUZDIDTESA-N 0 3 442.538 5.219 50 0 IKAAHN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C(F)(F)F)cc2)N2CCCC2)c1C ZINC000001448866 568817604 /nfs/dbraw/zinc/81/76/04/568817604.db2.gz GKXSMZSJWGNERB-FQEVSTJZSA-N 0 3 448.510 6.414 50 0 IKAAHN O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCCC[C@H]1c1nccs1 ZINC000104522493 568837524 /nfs/dbraw/zinc/83/75/24/568837524.db2.gz UOIYYTHRBJOCPP-LADGPHEKSA-N 0 3 447.604 5.223 50 0 IKAAHN Cc1ncc(CN2CCCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085879501 568839159 /nfs/dbraw/zinc/83/91/59/568839159.db2.gz YWFAIUYJGKVDAI-UHFFFAOYSA-N 0 3 432.476 5.014 50 0 biogenic IKAAHN CCCc1cc(OC)ccc1OCCCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068907 568843344 /nfs/dbraw/zinc/84/33/44/568843344.db2.gz AKHVPXIZKPFDRW-UHFFFAOYSA-N 0 3 431.020 5.278 50 0 IKAAHN C[C@H](CCc1ccc(-c2ccccc2)cc1)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000045068901 568843348 /nfs/dbraw/zinc/84/33/48/568843348.db2.gz BHFSROXRTYADKB-HSZRJFAPSA-N 0 3 433.039 6.394 50 0 IKAAHN Cc1ccc([C@H](c2oc3ccccc3c2[N-]C(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015859338 568847131 /nfs/dbraw/zinc/84/71/31/568847131.db2.gz MYNQWAIIMHRZHK-RUZDIDTESA-N 0 3 428.532 6.408 50 0 IKAAHN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000015859303 568847242 /nfs/dbraw/zinc/84/72/42/568847242.db2.gz ODBUTUDTIGOWNQ-XMMPIXPASA-N 0 3 430.504 5.862 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000015865006 568849926 /nfs/dbraw/zinc/84/99/26/568849926.db2.gz UABMQANBERAWAX-UHFFFAOYSA-N 0 3 445.950 5.543 50 0 IKAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000136294394 568908852 /nfs/dbraw/zinc/90/88/52/568908852.db2.gz MCAJYCWBANOJCU-OEMFJLHTSA-N 0 3 446.934 5.316 50 0 IKAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1=O ZINC000135863883 568908926 /nfs/dbraw/zinc/90/89/26/568908926.db2.gz DNRSHPPENRRNNQ-ACIOBRDBSA-N 0 3 432.907 5.008 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000137730695 568909167 /nfs/dbraw/zinc/90/91/67/568909167.db2.gz QNLQEZCOMBQHPE-GBESFXJTSA-N 0 3 445.327 5.106 50 0 IKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 ZINC000137856088 568909269 /nfs/dbraw/zinc/90/92/69/568909269.db2.gz LDNOEDBPXLUFCK-CCDWMCETSA-N 0 3 440.543 5.344 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000139077168 568909446 /nfs/dbraw/zinc/90/94/46/568909446.db2.gz IBKYNEFOMSOAHD-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN CC1=C(c2ccccc2)N(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000001879468 568917391 /nfs/dbraw/zinc/91/73/91/568917391.db2.gz VDDUSYQXSVDMQA-LOYHVIPDSA-N 0 3 443.590 7.216 50 0 IKAAHN Cn1cc([C@H](CC(=O)NCCN2CCCC2)c2ccc(C(C)(C)C)cc2)c2ccccc21 ZINC000006723152 568963310 /nfs/dbraw/zinc/96/33/10/568963310.db2.gz ANTRXOXRHNHVLO-XMMPIXPASA-N 0 3 431.624 5.210 50 0 IKAAHN CCCN(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1sccc1C ZINC000036202305 568972428 /nfs/dbraw/zinc/97/24/28/568972428.db2.gz OOIQFOGCCAIQRL-UHFFFAOYSA-N 0 3 443.659 6.469 50 0 IKAAHN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 ZINC000006780235 568984093 /nfs/dbraw/zinc/98/40/93/568984093.db2.gz FKAJEUFWOXAABF-AZRZUIITSA-N 0 3 429.645 5.386 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1CN(C[C@H](O)CC)CC1CC1 ZINC000036302636 568993661 /nfs/dbraw/zinc/99/36/61/568993661.db2.gz GWGZVHOSJLTFMG-JOCHJYFZSA-N 0 3 449.595 5.219 50 0 IKAAHN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304618 568994694 /nfs/dbraw/zinc/99/46/94/568994694.db2.gz CFMWBCFZEFKIPH-HSZRJFAPSA-N 0 3 449.595 5.355 50 0 IKAAHN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)C(C)C ZINC000036305880 568995318 /nfs/dbraw/zinc/99/53/18/568995318.db2.gz FXQIWDXUSCPBSP-JOCHJYFZSA-N 0 3 437.584 5.117 50 0 IKAAHN CC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305954 568995390 /nfs/dbraw/zinc/99/53/90/568995390.db2.gz MWAIDVJGAHOOSZ-NRFANRHFSA-N 0 3 437.584 5.117 50 0 IKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313763 568998719 /nfs/dbraw/zinc/99/87/19/568998719.db2.gz YIRIDVQUPQTVFP-RUZDIDTESA-N 0 3 447.623 6.045 50 0 IKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036313990 568998975 /nfs/dbraw/zinc/99/89/75/568998975.db2.gz LHTKJBFVDPEZAT-HSZRJFAPSA-N 0 3 435.612 5.889 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(C[C@@H](O)CC)CC1CC1 ZINC000036316487 568999862 /nfs/dbraw/zinc/99/98/62/568999862.db2.gz PPWAQGBWRKFYPA-NRFANRHFSA-N 0 3 437.559 5.349 50 0 IKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(CC(C)C)C[C@H](C)O ZINC000036341949 569079675 /nfs/dbraw/zinc/07/96/75/569079675.db2.gz MXIHQBJMGYJUDK-SFHVURJKSA-N 0 3 427.976 5.465 50 0 IKAAHN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346086 569080895 /nfs/dbraw/zinc/08/08/95/569080895.db2.gz KSFFZJWNFKOAMB-JOCHJYFZSA-N 0 3 437.559 5.485 50 0 IKAAHN CC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346223 569081072 /nfs/dbraw/zinc/08/10/72/569081072.db2.gz YAQXCEJGLGXAAC-QFIPXVFZSA-N 0 3 425.548 5.341 50 0 IKAAHN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346422 569081240 /nfs/dbraw/zinc/08/12/40/569081240.db2.gz URYJXRSUUCKHEY-HSZRJFAPSA-N 0 3 437.559 5.485 50 0 IKAAHN CCCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346794 569081352 /nfs/dbraw/zinc/08/13/52/569081352.db2.gz MTFAWIREHLAKGH-XMMPIXPASA-N 0 3 449.639 6.197 50 0 IKAAHN CC(C)CC[C@@H](NC(=O)NC1CCCC1)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000006877439 569095957 /nfs/dbraw/zinc/09/59/57/569095957.db2.gz HKXRXIICZVWCRC-HXUWFJFHSA-N 0 3 428.646 5.246 50 0 IKAAHN C[C@]12CC[C@@H]3c4ccc(OC(=O)CCN5CCCC(C)(C)C5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000002129878 569184258 /nfs/dbraw/zinc/18/42/58/569184258.db2.gz KDYPCXIDBCQDOZ-DFIMXKNXSA-N 0 3 437.624 5.529 50 0 biogenic IKAAHN COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccccc3)CC2)c1 ZINC000037560644 569201051 /nfs/dbraw/zinc/20/10/51/569201051.db2.gz LRPFSSIGUOSVMH-UHFFFAOYSA-N 0 3 434.967 5.660 50 0 IKAAHN Cc1cccc(CN2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)c1 ZINC000037560723 569201103 /nfs/dbraw/zinc/20/11/03/569201103.db2.gz XXNAAHONLLXPFR-UHFFFAOYSA-N 0 3 436.958 6.099 50 0 IKAAHN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc(C)c3)CC2)cc1OC ZINC000037570616 569201180 /nfs/dbraw/zinc/20/11/80/569201180.db2.gz DKJAUVLZEDRZHR-UHFFFAOYSA-N 0 3 444.575 5.324 50 0 IKAAHN COc1ccc(CN2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)cc3)CC2)cc1 ZINC000037570623 569201242 /nfs/dbraw/zinc/20/12/42/569201242.db2.gz ODFJIJLPTUDAPS-UHFFFAOYSA-N 0 3 428.576 5.623 50 0 IKAAHN CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccco3)sc2c1 ZINC000002217371 569204097 /nfs/dbraw/zinc/20/40/97/569204097.db2.gz LVJVLZMHRDCAAJ-NRFANRHFSA-N 0 3 442.496 5.869 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000239425764 569268888 /nfs/dbraw/zinc/26/88/88/569268888.db2.gz VFLVERBIEIQBPN-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OCN2C1 ZINC000245238224 569269560 /nfs/dbraw/zinc/26/95/60/569269560.db2.gz GRMUAQMHJKQVFL-JKQNTIISSA-N 0 3 427.673 5.629 50 0 biogenic IKAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000245311078 569269804 /nfs/dbraw/zinc/26/98/04/569269804.db2.gz MCAJYCWBANOJCU-YFNKSVMNSA-N 0 3 446.934 5.316 50 0 IKAAHN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@H](C)[C@@](O)(Cc3ccccc3)[C@H]2C)cc1 ZINC000245294884 569269876 /nfs/dbraw/zinc/26/98/76/569269876.db2.gz BTUTYNXWDXRDAN-OTSSDEFXSA-N 0 3 431.576 5.335 50 0 IKAAHN C[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)Cc1ccccc1 ZINC000252320700 569271212 /nfs/dbraw/zinc/27/12/12/569271212.db2.gz NATCMOXDTBVZOU-YWLJCOKJSA-N 0 3 440.414 6.625 50 0 IKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002329816 569274584 /nfs/dbraw/zinc/27/45/84/569274584.db2.gz SNZDLNDACRSTEI-OAQYLSRUSA-N 0 3 442.471 5.600 50 0 IKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccc3F)sc2c1 ZINC000002329815 569274588 /nfs/dbraw/zinc/27/45/88/569274588.db2.gz SNZDLNDACRSTEI-NRFANRHFSA-N 0 3 442.471 5.600 50 0 IKAAHN COc1ccc(-c2nc3cc(C)ccc3cc2CNC[C@H]2COc3ccccc3O2)cc1 ZINC000299767516 569283712 /nfs/dbraw/zinc/28/37/12/569283712.db2.gz HOUHAIIRXGZUDN-QHCPKHFHSA-N 0 3 426.516 5.148 50 0 IKAAHN CN1C[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000008888309 569292114 /nfs/dbraw/zinc/29/21/14/569292114.db2.gz GYOAHBGWMYFOGR-ZWKOTPCHSA-N 0 3 434.750 6.435 50 0 IKAAHN Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(c1nnc(CC(C)C)s1)C3=O ZINC000002407902 569300389 /nfs/dbraw/zinc/30/03/89/569300389.db2.gz BGJNBFGUMUSOBB-HXUWFJFHSA-N 0 3 449.507 5.040 50 0 IKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002445237 569304368 /nfs/dbraw/zinc/30/43/68/569304368.db2.gz JJXIVDSHVHVUNU-IBGZPJMESA-N 0 3 430.510 5.522 50 0 IKAAHN Clc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000020032642 569332589 /nfs/dbraw/zinc/33/25/89/569332589.db2.gz MDHWZXAVBYFNDP-MUUNZHRXSA-N 0 3 444.022 6.161 50 0 biogenic IKAAHN S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCN1CCCCCC1)Cc1ccco1 ZINC000020107708 569334253 /nfs/dbraw/zinc/33/42/53/569334253.db2.gz SWTHLUKYDPLURD-UHFFFAOYSA-N 0 3 449.620 6.147 50 0 IKAAHN Brc1ccc([C@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1 ZINC000020111712 569334594 /nfs/dbraw/zinc/33/45/94/569334594.db2.gz CHHFORGPJYRIQU-HSZRJFAPSA-N 0 3 433.349 5.745 50 0 biogenic IKAAHN OC(CNCc1ccc(Cl)c(Cl)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000020365349 569361898 /nfs/dbraw/zinc/36/18/98/569361898.db2.gz OJRITUOCZWFMDZ-UHFFFAOYSA-N 0 3 441.185 6.326 50 0 IKAAHN Cc1ccc(Nc2nc(C(=O)NCCN3CCCC[C@H]3C)cc3occc32)cc1Cl ZINC000096323720 569395356 /nfs/dbraw/zinc/39/53/56/569395356.db2.gz WKMFGFAXCXAREO-MRXNPFEDSA-N 0 3 426.948 5.137 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000096323675 569395374 /nfs/dbraw/zinc/39/53/74/569395374.db2.gz WOQPSPINHBIBNX-UHFFFAOYSA-N 0 3 444.510 5.105 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000096399378 569399983 /nfs/dbraw/zinc/39/99/83/569399983.db2.gz MJXDCFIBKNDRMN-UHFFFAOYSA-N 0 3 439.559 5.007 50 0 IKAAHN O=C1C(C(OCc2ccccc2)=C(F)F)[C@H](c2ccc(Cl)cc2)N1c1ccccc1 ZINC000096576559 569401432 /nfs/dbraw/zinc/40/14/32/569401432.db2.gz BJPNNCFFOKZBGS-SFTDATJTSA-N 0 3 425.862 6.369 50 0 IKAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000002617083 569410252 /nfs/dbraw/zinc/41/02/52/569410252.db2.gz LTIPGBWULGEQSY-UHFFFAOYSA-N 0 3 433.602 5.419 50 0 IKAAHN Cc1ccc(C2=C(Cl)/C(=C\CN(C)C)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000057061451 569429391 /nfs/dbraw/zinc/42/93/91/569429391.db2.gz XGYTWGZBVRWFDM-QKSFETHESA-N 0 3 433.954 6.754 50 0 IKAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1Cl ZINC000057279106 569430520 /nfs/dbraw/zinc/43/05/20/569430520.db2.gz NARIGROMDNDMDJ-UHFFFAOYSA-N 0 3 440.374 5.568 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@@H](C)O)[C@H](C)CC ZINC000230115390 569438352 /nfs/dbraw/zinc/43/83/52/569438352.db2.gz FMQIQCHCXLBRLV-WOJBJXKFSA-N 0 3 437.584 5.217 50 0 IKAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000003047627 569438671 /nfs/dbraw/zinc/43/86/71/569438671.db2.gz DTDSVJHUGZHVRB-OAQYLSRUSA-N 0 3 431.580 5.248 50 0 IKAAHN CC(=O)Nc1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000003049179 569438936 /nfs/dbraw/zinc/43/89/36/569438936.db2.gz GEWYBYGUKNSINV-OALUTQOASA-N 0 3 439.625 5.097 50 0 IKAAHN Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000031079408 569453270 /nfs/dbraw/zinc/45/32/70/569453270.db2.gz SYQUWHQQWMGSEA-UHFFFAOYSA-N 0 3 439.559 5.238 50 0 IKAAHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004082366 569458698 /nfs/dbraw/zinc/45/86/98/569458698.db2.gz DCJVKINJRHKIHH-MFTSUCBKSA-N 0 3 429.645 5.386 50 0 biogenic IKAAHN CN(CCN1C(=O)c2ccccc2C1=O)[C@@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000008385771 569462664 /nfs/dbraw/zinc/46/26/64/569462664.db2.gz ZOLFQQCIFXIQCB-XMMPIXPASA-N 0 3 428.919 5.141 50 0 IKAAHN Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CCC(C)CC2)cc1 ZINC000038546329 569463452 /nfs/dbraw/zinc/46/34/52/569463452.db2.gz PCFIGBWSSDNPKB-RUZDIDTESA-N 0 3 448.632 6.602 50 0 IKAAHN Clc1cccc(-c2nnn3c2nc(N2CCN(C4CCCCC4)CC2)c2ccccc23)c1 ZINC000067262702 569466681 /nfs/dbraw/zinc/46/66/81/569466681.db2.gz AHQIEMWSMMHGEA-UHFFFAOYSA-N 0 3 446.986 5.053 50 0 IKAAHN CSc1nc2c3c4c(c(-c5ccccc5)nc3sc2c(NCCN(C)C)n1)CCC4 ZINC000008657511 569469736 /nfs/dbraw/zinc/46/97/36/569469736.db2.gz VTQQNUCWDWLTGH-UHFFFAOYSA-N 0 3 435.622 5.091 50 0 IKAAHN COc1cc2c(cc1OC)[C@H](C)N(C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]31)CC2 ZINC000008763182 569474440 /nfs/dbraw/zinc/47/44/40/569474440.db2.gz MAZWREUQDXJNBZ-SWNKSKJGSA-N 0 3 439.596 5.081 50 0 biogenic IKAAHN CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009044412 569497965 /nfs/dbraw/zinc/49/79/65/569497965.db2.gz RYFKASGSSBNVOZ-RUZDIDTESA-N 0 3 441.600 5.803 50 0 IKAAHN CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 ZINC000009044409 569497978 /nfs/dbraw/zinc/49/79/78/569497978.db2.gz RYFKASGSSBNVOZ-VWLOTQADSA-N 0 3 441.600 5.803 50 0 IKAAHN O=C(Nc1cccc2ccccc21)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000009056969 569499177 /nfs/dbraw/zinc/49/91/77/569499177.db2.gz FUXQFAXFDGBRMC-UHFFFAOYSA-N 0 3 434.583 6.547 50 0 IKAAHN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)CC ZINC000245279931 569502008 /nfs/dbraw/zinc/50/20/08/569502008.db2.gz KBCMZDMWWUAEON-CTNGQTDRSA-N 0 3 437.584 5.259 50 0 IKAAHN COc1cccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN(Cc3ccc(F)cc3F)C2)c1 ZINC000040424917 569502871 /nfs/dbraw/zinc/50/28/71/569502871.db2.gz DBPHXVFOYLMSPT-NHCUHLMSSA-N 0 3 436.502 5.218 50 0 IKAAHN COc1cccc(NC(=O)[C@H]2C[C@H](c3ccccc3)CN(Cc3ccc(F)cc3F)C2)c1 ZINC000040424915 569502877 /nfs/dbraw/zinc/50/28/77/569502877.db2.gz DBPHXVFOYLMSPT-SFTDATJTSA-N 0 3 436.502 5.218 50 0 IKAAHN Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C)cc3s2)o1 ZINC000009187327 569510331 /nfs/dbraw/zinc/51/03/31/569510331.db2.gz VVLMOSFIPOMSDD-HXUWFJFHSA-N 0 3 428.469 5.362 50 0 IKAAHN Cc1ccc2c(c1)[nH]c(C(=O)NCCN1CCCC[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288286 569519386 /nfs/dbraw/zinc/51/93/86/569519386.db2.gz WJEVSNKSXSTWMO-KRWDZBQOSA-N 0 3 442.028 5.885 50 0 IKAAHN CCN1CCC[C@@H]1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(Cl)cc1 ZINC000009288593 569519445 /nfs/dbraw/zinc/51/94/45/569519445.db2.gz LIUXJLQNEGZXCT-MRXNPFEDSA-N 0 3 444.000 5.195 50 0 IKAAHN COc1ccc2c(c1)[nH]c(C(=O)NCCN1CCCCCC1)c2Sc1ccc(C)cc1 ZINC000009288479 569519456 /nfs/dbraw/zinc/51/94/56/569519456.db2.gz HFUJHJFLLUWFCL-UHFFFAOYSA-N 0 3 437.609 5.242 50 0 IKAAHN CCN1CCN(c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2)CC1 ZINC000009322104 569522635 /nfs/dbraw/zinc/52/26/35/569522635.db2.gz UPQOYCSVETVNBJ-UHFFFAOYSA-N 0 3 437.634 5.435 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009332337 569523090 /nfs/dbraw/zinc/52/30/90/569523090.db2.gz RXUKIKMBSHAQDO-OAQYLSRUSA-N 0 3 427.495 5.034 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 ZINC000009332335 569523138 /nfs/dbraw/zinc/52/31/38/569523138.db2.gz RXUKIKMBSHAQDO-NRFANRHFSA-N 0 3 427.495 5.034 50 0 IKAAHN Cc1cc2sc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccccn3)nc2c(C)c1 ZINC000009347816 569524331 /nfs/dbraw/zinc/52/43/31/569524331.db2.gz GIZZDNCPAWHBHM-OAQYLSRUSA-N 0 3 439.496 5.164 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 ZINC000009358495 569525591 /nfs/dbraw/zinc/52/55/91/569525591.db2.gz ODJVINQUELVSDC-OAQYLSRUSA-N 0 3 430.379 5.739 50 0 IKAAHN CC(C)[C@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000009387089 569528426 /nfs/dbraw/zinc/52/84/26/569528426.db2.gz DURMWSIALPGTGF-NDEPHWFRSA-N 0 3 444.575 5.364 50 0 IKAAHN N=C1SC(Cc2ccccc2Cl)C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1 ZINC000009440501 569535232 /nfs/dbraw/zinc/53/52/32/569535232.db2.gz LNQNBPCLTDUUDR-KRWDZBQOSA-N 0 3 448.400 5.667 50 0 IKAAHN CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3ccco3)sc2c1 ZINC000009487375 569539692 /nfs/dbraw/zinc/53/96/92/569539692.db2.gz SUYWZCDELFKWRK-FQEVSTJZSA-N 0 3 444.468 5.144 50 0 IKAAHN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000009489472 569540012 /nfs/dbraw/zinc/54/00/12/569540012.db2.gz LRMCRWGIYVPYMQ-QHCPKHFHSA-N 0 3 438.593 6.040 50 0 IKAAHN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)c2cccnc2)cc1F ZINC000009671270 569558528 /nfs/dbraw/zinc/55/85/28/569558528.db2.gz GZCLNJANINAVPK-FQEVSTJZSA-N 0 3 444.554 6.103 50 0 IKAAHN CCCCN(C)CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000009673351 569558913 /nfs/dbraw/zinc/55/89/13/569558913.db2.gz CXGSFPPGEVHLGN-UHFFFAOYSA-N 0 3 446.414 5.188 50 0 IKAAHN Cc1nc(Nc2ccc(C)cc2C)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000071326665 569574923 /nfs/dbraw/zinc/57/49/23/569574923.db2.gz QZFKDPJPTUGMPC-UHFFFAOYSA-N 0 3 434.609 5.206 50 0 IKAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000009969174 569576053 /nfs/dbraw/zinc/57/60/53/569576053.db2.gz FDQPHLBPPZHPHW-UHFFFAOYSA-N 0 3 428.319 5.170 50 0 IKAAHN FC(F)(F)c1cccc(N2CCN(CCCCOc3cccc4ccccc43)CC2)c1 ZINC000001820466 132247027 /nfs/dbraw/zinc/24/70/27/132247027.db2.gz RUKLWGFXRMBBEU-UHFFFAOYSA-N 0 3 428.498 5.840 50 0 IKAAHN Cc1cc(CN(C)C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)on1 ZINC000011785788 132339670 /nfs/dbraw/zinc/33/96/70/132339670.db2.gz IRAJAMXFFZBAOC-UHFFFAOYSA-N 0 3 446.595 5.045 50 0 IKAAHN C/C(=C\c1ccccc1)CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1 ZINC000012714844 518445292 /nfs/dbraw/zinc/44/52/92/518445292.db2.gz TWGUSLLFGSUERC-HTXNQAPBSA-N 0 3 434.971 5.529 50 0 IKAAHN CC(C)/C=C/CN1CCC([C@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1 ZINC000012325844 519387227 /nfs/dbraw/zinc/38/72/27/519387227.db2.gz NVPBNPOYZCMOEX-FLXGOCGUSA-N 0 3 431.624 5.222 50 0 IKAAHN CC(C)CCN(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843762 519652285 /nfs/dbraw/zinc/65/22/85/519652285.db2.gz DJGJLHYKSOIVQF-UHFFFAOYSA-N 0 3 432.505 6.743 50 0 IKAAHN CC(C)Oc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)cc1 ZINC000012588697 519779139 /nfs/dbraw/zinc/77/91/39/519779139.db2.gz BYPJMAQFOPNLAE-UHFFFAOYSA-N 0 3 436.596 5.143 50 0 IKAAHN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844682 519812014 /nfs/dbraw/zinc/81/20/14/519812014.db2.gz QYZNZAVEHHRWEK-IBGZPJMESA-N 0 3 432.505 6.741 50 0 IKAAHN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843774 519812030 /nfs/dbraw/zinc/81/20/30/519812030.db2.gz SIEDQHRHFKMDRW-IBGZPJMESA-N 0 3 432.505 6.741 50 0 IKAAHN CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000245310378 520125653 /nfs/dbraw/zinc/12/56/53/520125653.db2.gz IOJSASXMHFMQDT-DGEYCZFQSA-N 0 3 434.451 7.353 50 0 IKAAHN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCN1CCCCC1 ZINC000012659316 520315445 /nfs/dbraw/zinc/31/54/45/520315445.db2.gz KJCYWBYEGKONIB-NULLENPVSA-N 0 3 448.692 5.022 50 0 biogenic IKAAHN CCN(CC)C(=O)C1CCN(Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)CC1 ZINC000012576875 520443416 /nfs/dbraw/zinc/44/34/16/520443416.db2.gz LKZUICJXMYMRPF-UHFFFAOYSA-N 0 3 436.644 5.215 50 0 IKAAHN CCN(CC)CCN(C(=O)c1cccs1)c1nc2ccc(Br)cc2s1 ZINC000012140844 520640057 /nfs/dbraw/zinc/64/00/57/520640057.db2.gz IXLNKBMZRYXBFW-UHFFFAOYSA-N 0 3 438.416 5.109 50 0 IKAAHN CCOc1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)ccc1O ZINC000012471596 520697948 /nfs/dbraw/zinc/69/79/48/520697948.db2.gz AIZZAZAUVFBYCQ-UHFFFAOYSA-N 0 3 448.538 5.448 50 0 IKAAHN CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016611384 520728464 /nfs/dbraw/zinc/72/84/64/520728464.db2.gz JZERZUJBCMDERO-INIZCTEOSA-N 0 3 432.775 5.485 50 0 IKAAHN CCOc1cc([C@@H]2NC[C@@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OC ZINC000012683079 520776132 /nfs/dbraw/zinc/77/61/32/520776132.db2.gz WGCZLEVZAYUPRK-LVXARBLLSA-N 0 3 428.532 5.408 50 0 IKAAHN CCOc1cc([C@H]2NC[C@H](c3ccc(OC)cc3)c3c4ccccc4[nH]c32)ccc1OC ZINC000012683095 520786277 /nfs/dbraw/zinc/78/62/77/520786277.db2.gz WGCZLEVZAYUPRK-QFQXNSOFSA-N 0 3 428.532 5.408 50 0 IKAAHN CCN(CC)[C@H](CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C)c1ccccc1 ZINC000012901003 520865506 /nfs/dbraw/zinc/86/55/06/520865506.db2.gz ORHYIZVMEWGFDI-HSZRJFAPSA-N 0 3 439.003 5.015 50 0 IKAAHN CCOc1ccc(NC(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000020532278 521080396 /nfs/dbraw/zinc/08/03/96/521080396.db2.gz FLKOLZQVVNPQIU-UHFFFAOYSA-N 0 3 433.552 5.377 50 0 IKAAHN CCOc1ccccc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532237 521542378 /nfs/dbraw/zinc/54/23/78/521542378.db2.gz OLRSLZDVNOEKEX-KRWDZBQOSA-N 0 3 438.597 5.198 50 0 IKAAHN CCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268854 521682727 /nfs/dbraw/zinc/68/27/27/521682727.db2.gz OTLSDUSKPLUFOT-UHFFFAOYSA-N 0 3 431.605 5.959 50 0 IKAAHN CCN1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000020532232 521724653 /nfs/dbraw/zinc/72/46/53/521724653.db2.gz CCUPFMAHCHKYGW-INIZCTEOSA-N 0 3 443.016 5.761 50 0 IKAAHN CCc1cccc2c([C@@H](CC(=O)NCCN3CCCCC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888689 521793283 /nfs/dbraw/zinc/79/32/83/521793283.db2.gz KAIUPZWRQBWNLA-QHCPKHFHSA-N 0 3 438.015 5.508 50 0 IKAAHN CCc1cccc2c([C@H](CC(=O)NCCN3CCCCC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035888691 521795469 /nfs/dbraw/zinc/79/54/69/521795469.db2.gz KAIUPZWRQBWNLA-HSZRJFAPSA-N 0 3 438.015 5.508 50 0 IKAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012054445 521890222 /nfs/dbraw/zinc/89/02/22/521890222.db2.gz OGJFDNHCWIYUKY-UHFFFAOYSA-N 0 3 442.481 5.129 50 0 IKAAHN CCc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532220 521894935 /nfs/dbraw/zinc/89/49/35/521894935.db2.gz NKSJGPDKTSTGIF-FQEVSTJZSA-N 0 3 436.625 5.752 50 0 IKAAHN COc1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)ccc1O ZINC000012297379 522365264 /nfs/dbraw/zinc/36/52/64/522365264.db2.gz AISJQVYQQUGTRU-UHFFFAOYSA-N 0 3 434.511 5.058 50 0 IKAAHN CC[C@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)CN(C)CC2 ZINC000020532136 522479361 /nfs/dbraw/zinc/47/93/61/522479361.db2.gz DREZEMPBIMAHSG-SFHVURJKSA-N 0 3 438.597 5.117 50 0 IKAAHN CC[C@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532214 522482780 /nfs/dbraw/zinc/48/27/80/522482780.db2.gz VAJHUHSCASZJAK-NRFANRHFSA-N 0 3 436.625 5.806 50 0 IKAAHN CC[C@@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020532215 522746461 /nfs/dbraw/zinc/74/64/61/522746461.db2.gz SODQEQCBYPCMJR-OAQYLSRUSA-N 0 3 436.625 5.806 50 0 IKAAHN COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]13)CC2 ZINC000012659961 523046322 /nfs/dbraw/zinc/04/63/22/523046322.db2.gz MAZWREUQDXJNBZ-NJYVRSLCSA-N 0 3 439.596 5.081 50 0 biogenic IKAAHN CN(C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc(F)cc1F ZINC000012431334 523117089 /nfs/dbraw/zinc/11/70/89/523117089.db2.gz QSEVFXAUNZZTSA-QGZVFWFLSA-N 0 3 440.456 5.010 50 0 IKAAHN COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 ZINC000012570419 523140781 /nfs/dbraw/zinc/14/07/81/523140781.db2.gz SIXFFCZHJUWMHA-QFIPXVFZSA-N 0 3 430.548 5.222 50 0 IKAAHN COc1ccc(-c2csc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)cc1 ZINC000021643174 523172360 /nfs/dbraw/zinc/17/23/60/523172360.db2.gz RPPZLNBZJYAVRP-UHFFFAOYSA-N 0 3 430.577 5.443 50 0 IKAAHN COc1ccc(-c2nc(CN3CCCC[C@H]3CCc3cccc(O)c3)c(C)o2)c(OC)c1 ZINC000012709968 523199526 /nfs/dbraw/zinc/19/95/26/523199526.db2.gz PNKDCRNZSGLRER-FQEVSTJZSA-N 0 3 436.552 5.360 50 0 IKAAHN COc1ccc(-c2nc(CN3CCC4(C=Cc5ccccc54)CC3)c(C)o2)c(OC)c1C ZINC000012315318 523200225 /nfs/dbraw/zinc/20/02/25/523200225.db2.gz FDUDNLGZHODKKA-UHFFFAOYSA-N 0 3 430.548 5.536 50 0 IKAAHN COc1ccc(CC/N=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)cc1OC ZINC000012462548 523913783 /nfs/dbraw/zinc/91/37/83/523913783.db2.gz MDXZDMQEOBRONC-GYHWCHFESA-N 0 3 426.607 5.606 50 0 IKAAHN COc1ccc(CN(Cc2cccn2Cc2cccc(OC)c2)CC2CCCCC2)cc1 ZINC000035841144 524014480 /nfs/dbraw/zinc/01/44/80/524014480.db2.gz CAQGSKTYISXCOM-UHFFFAOYSA-N 0 3 432.608 6.136 50 0 IKAAHN COc1ccc(CN2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cc1C ZINC000012437693 524027796 /nfs/dbraw/zinc/02/77/96/524027796.db2.gz UEBKEODAAMTWSQ-SFHVURJKSA-N 0 3 430.976 5.297 50 0 IKAAHN COc1ccc(CN2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cc1C ZINC000012437695 524029418 /nfs/dbraw/zinc/02/94/18/524029418.db2.gz UEBKEODAAMTWSQ-GOSISDBHSA-N 0 3 430.976 5.297 50 0 IKAAHN CCc1ccc([C@H](CNC(=O)c2ccc(SCc3csc(C)n3)cc2)N(C)C)cc1 ZINC000022684777 524048857 /nfs/dbraw/zinc/04/88/57/524048857.db2.gz NVGGMDNQTXAFDG-QHCPKHFHSA-N 0 3 439.650 5.339 50 0 IKAAHN Cc1cccc(-c2nc3c(C)cccc3cc2CN(CCN(C)C)C(=O)c2ccco2)c1 ZINC000012151947 524120720 /nfs/dbraw/zinc/12/07/20/524120720.db2.gz DVQHSOGVWUEEQV-UHFFFAOYSA-N 0 3 427.548 5.316 50 0 IKAAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C=C12 ZINC000012876822 524227199 /nfs/dbraw/zinc/22/71/99/524227199.db2.gz OESKVACCFMXCQV-ISMLOJEYSA-N 0 3 429.604 6.003 50 0 biogenic IKAAHN C[C@H]1CCc2c(sc3c2CSC(C(=O)NC2CCN(Cc4ccccc4)CC2)=C3)C1 ZINC000020557731 524437590 /nfs/dbraw/zinc/43/75/90/524437590.db2.gz ZPZSYHIUHSOEAC-KRWDZBQOSA-N 0 3 438.662 5.241 50 0 IKAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ccc3ccccc3n2)CC1 ZINC000012303578 524446753 /nfs/dbraw/zinc/44/67/53/524446753.db2.gz AJDQDOVLQNRDFD-UHFFFAOYSA-N 0 3 445.607 5.254 50 0 IKAAHN COc1ccccc1NC(=O)N(Cc1cccc(C)n1)C1CCN(Cc2ccccc2)CC1 ZINC000035686858 524608449 /nfs/dbraw/zinc/60/84/49/524608449.db2.gz VBDGBSNHGGYMTC-UHFFFAOYSA-N 0 3 444.579 5.097 50 0 IKAAHN C[C@@H](CNC(=O)c1cccs1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1 ZINC000012218674 524726045 /nfs/dbraw/zinc/72/60/45/524726045.db2.gz BMEZXGRCYRSANH-FQEVSTJZSA-N 0 3 434.605 5.325 50 0 IKAAHN Cc1ccc(Cn2c(CN3CCC(C(=O)NCCC(C)C)CC3)cc3ccccc32)cc1 ZINC000021116248 524766041 /nfs/dbraw/zinc/76/60/41/524766041.db2.gz XXTQXSBZVMBPFH-UHFFFAOYSA-N 0 3 431.624 5.372 50 0 IKAAHN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(CN3CCCC3)s2)n1 ZINC000020454369 524899315 /nfs/dbraw/zinc/89/93/15/524899315.db2.gz HLGPKDZZTCJXGI-MHZLTWQESA-N 0 3 442.632 5.676 50 0 IKAAHN Cc1ccc(NC(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000020532276 525115364 /nfs/dbraw/zinc/11/53/64/525115364.db2.gz FNPCTIRYTVJNBS-UHFFFAOYSA-N 0 3 437.971 5.940 50 0 IKAAHN Cc1ccccc1Cn1c(CN2CCC(C(=O)N3CCCCC3)CC2)cc2ccccc21 ZINC000035451457 525209933 /nfs/dbraw/zinc/20/99/33/525209933.db2.gz WPFJUYSZEATVRL-UHFFFAOYSA-N 0 3 429.608 5.223 50 0 IKAAHN Cc1ccccc1OC[C@@H](O)CN(CCC(C)C)Cc1cccn1Cc1cccc(F)c1 ZINC000035840823 525307192 /nfs/dbraw/zinc/30/71/92/525307192.db2.gz JIWCFEDUMFDOCQ-SANMLTNESA-N 0 3 438.587 5.272 50 0 IKAAHN Cc1ccccc1OC[C@H](O)CN(CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000035840625 525312436 /nfs/dbraw/zinc/31/24/36/525312436.db2.gz LYVKRPGHMNOOFJ-RUZDIDTESA-N 0 3 438.587 5.272 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3ccc(C)cc3)cc2c1[C@H](c1ccccn1)N1CCCCC1 ZINC000021659649 525430098 /nfs/dbraw/zinc/43/00/98/525430098.db2.gz CCAUTHYYVFWCIA-MHZLTWQESA-N 0 3 438.575 6.007 50 0 IKAAHN Cc1[nH]c2ccc(NC(=O)c3cccs3)cc2c1[C@H](c1ccccn1)N1CCCCC1 ZINC000021659630 525431738 /nfs/dbraw/zinc/43/17/38/525431738.db2.gz DXVSQQGCGWQSDZ-DEOSSOPVSA-N 0 3 430.577 5.760 50 0 IKAAHN C[C@H](NCc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-n2ccnc2)cc1 ZINC000012648109 525473548 /nfs/dbraw/zinc/47/35/48/525473548.db2.gz BRVSVTFBRMTSJV-IBGZPJMESA-N 0 3 425.561 5.637 50 0 IKAAHN Cc1ccc([C@@H](c2oc3ccccc3c2[N-]C(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1 ZINC000015859337 525784298 /nfs/dbraw/zinc/78/42/98/525784298.db2.gz MYNQWAIIMHRZHK-VWLOTQADSA-N 0 3 428.532 6.408 50 0 IKAAHN COc1cccc(CN(Cc2cccn2Cc2cccc(C(F)(F)F)c2)CC(C)C)c1 ZINC000035841153 525922929 /nfs/dbraw/zinc/92/29/29/525922929.db2.gz DHGYSAPJNCKRGY-UHFFFAOYSA-N 0 3 430.514 6.222 50 0 IKAAHN Cc1ccc(-n2ncc3c2CCC[C@H]3NCc2ccc(Oc3ncccn3)cc2)cc1C ZINC000012592398 525932001 /nfs/dbraw/zinc/93/20/01/525932001.db2.gz SOSXFRZVDPDKPE-XMMPIXPASA-N 0 3 425.536 5.239 50 0 IKAAHN COc1cccc(NC(=O)N(Cc2cccc(C)n2)C2CCN(Cc3ccccc3)CC2)c1 ZINC000035686859 526186182 /nfs/dbraw/zinc/18/61/82/526186182.db2.gz VCEOMRXOBVUDAJ-UHFFFAOYSA-N 0 3 444.579 5.097 50 0 IKAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000035569249 526213516 /nfs/dbraw/zinc/21/35/16/526213516.db2.gz ZLWQGNABQLEYHG-SQHAQQRYSA-N 0 3 448.570 5.296 50 0 IKAAHN Cc1ccc(C(c2ccc(C)cc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022035526 526255571 /nfs/dbraw/zinc/25/55/71/526255571.db2.gz QUHLUNRWOCMCTE-UHFFFAOYSA-N 0 3 437.631 6.125 50 0 IKAAHN Fc1ccc(-n2cc(CNCc3ccc4c(c3)OCO4)c(-c3ccccc3Cl)n2)cc1 ZINC000012579841 526321382 /nfs/dbraw/zinc/32/13/82/526321382.db2.gz MWQCOYFZFADVHN-UHFFFAOYSA-N 0 3 435.886 5.350 50 0 IKAAHN Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454905 526326814 /nfs/dbraw/zinc/32/68/14/526326814.db2.gz UDRUWZYJFWYYQS-UHFFFAOYSA-N 0 3 445.557 5.786 50 0 IKAAHN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000012459344 526458575 /nfs/dbraw/zinc/45/85/75/526458575.db2.gz ZIMUAGXKGKFXLY-WEVVVXLNSA-N 0 3 446.570 5.334 50 0 IKAAHN O=C(CC[C@@H]1CCCN(CC2=Cc3cc(Cl)ccc3OC2)C1)Nc1ccccc1F ZINC000012576135 526554302 /nfs/dbraw/zinc/55/43/02/526554302.db2.gz XRPIKODRNMGXSO-KRWDZBQOSA-N 0 3 428.935 5.386 50 0 IKAAHN O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cccc(OCCN2CCCCC2)c1)C1CC1 ZINC000012191083 526664928 /nfs/dbraw/zinc/66/49/28/526664928.db2.gz OBXVOHUXVDOQNE-UHFFFAOYSA-N 0 3 446.513 5.375 50 0 IKAAHN O=C(c1ccc(Cl)cc1OC1CCN(CCc2ccccc2)CC1)N1CCCCC1 ZINC000012457950 526679709 /nfs/dbraw/zinc/67/97/09/526679709.db2.gz FVRJIEHPLCJDLK-UHFFFAOYSA-N 0 3 426.988 5.052 50 0 IKAAHN O=C(c1nc2ccc(Cl)cn2c1CNCC[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCCCCCC1 ZINC000012298244 526916703 /nfs/dbraw/zinc/91/67/03/526916703.db2.gz AMLGHOZZKQRBSX-HSALFYBXSA-N 0 3 441.019 5.086 50 0 IKAAHN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000012866438 527143986 /nfs/dbraw/zinc/14/39/86/527143986.db2.gz GVZZLWASDOUNQD-UHFFFAOYSA-N 0 3 443.595 5.300 50 0 IKAAHN Cc1ncc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)s1 ZINC000012430668 527256795 /nfs/dbraw/zinc/25/67/95/527256795.db2.gz NPGLHCSJACYFTB-HXUWFJFHSA-N 0 3 430.577 5.451 50 0 IKAAHN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020567863 527433964 /nfs/dbraw/zinc/43/39/64/527433964.db2.gz LAXBZXLYHYWUFW-UHFFFAOYSA-N 0 3 434.539 6.290 50 0 IKAAHN O=C(Nc1ccnn1C1CCN(Cc2ccccc2-c2ccco2)CC1)c1cccc(F)c1 ZINC000012583655 527461392 /nfs/dbraw/zinc/46/13/92/527461392.db2.gz BZFMOKMZQPPVON-UHFFFAOYSA-N 0 3 444.510 5.372 50 0 IKAAHN FC(F)(F)c1ccc(Cn2cccc2CN(Cc2ccccc2)CC2CCCCC2)cc1 ZINC000035841068 527683233 /nfs/dbraw/zinc/68/32/33/527683233.db2.gz UMNNMTQPXJIMCG-UHFFFAOYSA-N 0 3 440.553 7.138 50 0 IKAAHN CCN1CCN(c2ccc(N[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)cc2)CC1 ZINC000009367158 535747398 /nfs/dbraw/zinc/74/73/98/535747398.db2.gz FDJXPEHRAHKWLO-MHZLTWQESA-N 0 3 442.607 5.237 50 0 IKAAHN COc1cc2c(cc1OC)[C@@H](O)C(C)(C)N(CCC(c1ccccc1)c1ccccc1)C2 ZINC000000755135 555553873 /nfs/dbraw/zinc/55/38/73/555553873.db2.gz LWHIZVSTKKDMAP-HHHXNRCGSA-N 0 3 431.576 5.554 50 0 biogenic IKAAHN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000000854710 555571080 /nfs/dbraw/zinc/57/10/80/555571080.db2.gz OLHVTUVMCGOPOE-UHFFFAOYSA-N 0 3 444.362 5.351 50 0 IKAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000002177972 555752706 /nfs/dbraw/zinc/75/27/06/555752706.db2.gz LOGJTFUBUPRCNQ-INIZCTEOSA-N 0 3 444.344 6.027 50 0 IKAAHN CCc1ccc(N2C(=O)C3=C(C2=O)C(c2ccc(C)cc2)Nc2ccccc2S3)cc1 ZINC000002229096 555760300 /nfs/dbraw/zinc/76/03/00/555760300.db2.gz PIPQZGCKBICZDC-QHCPKHFHSA-N 0 3 426.541 5.644 50 0 IKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1c1nc2ccc(F)cc2s1 ZINC000002237767 555761208 /nfs/dbraw/zinc/76/12/08/555761208.db2.gz FETORBIUKSMCSN-SFHVURJKSA-N 0 3 434.473 5.353 50 0 IKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1c1nc2ccc(F)cc2s1 ZINC000002237769 555761218 /nfs/dbraw/zinc/76/12/18/555761218.db2.gz FETORBIUKSMCSN-GOSISDBHSA-N 0 3 434.473 5.353 50 0 IKAAHN CCN(C)C(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1)CC2 ZINC000034671571 555793016 /nfs/dbraw/zinc/79/30/16/555793016.db2.gz ROOMXRGYCUNMFW-KDYSTLNUSA-N 0 3 428.576 5.080 50 0 IKAAHN CC(C)CN(C[C@H]1CN(Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699037 555812750 /nfs/dbraw/zinc/81/27/50/555812750.db2.gz IKQVHZNUXVEFTF-SHQCIBLASA-N 0 3 447.598 5.178 50 0 IKAAHN Cc1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@H](CN(CC(C)C)C(=O)c3ccccc3)C2)o1 ZINC000034699035 555812862 /nfs/dbraw/zinc/81/28/62/555812862.db2.gz SFWPBGNZGFMNNH-IGKIAQTJSA-N 0 3 448.582 5.741 50 0 IKAAHN Cc1ccc(CN2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccc(C)cc3)C2)o1 ZINC000034699094 555813439 /nfs/dbraw/zinc/81/34/39/555813439.db2.gz IPEOCWLBZFFVSE-VPUSJEBWSA-N 0 3 430.592 5.663 50 0 IKAAHN CC(C)c1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)cc1 ZINC000034681665 555814923 /nfs/dbraw/zinc/81/49/23/555814923.db2.gz LSQGWUVEHAPOMP-UHFFFAOYSA-N 0 3 446.570 5.309 50 0 IKAAHN Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1 ZINC000034683201 555818391 /nfs/dbraw/zinc/81/83/91/555818391.db2.gz DFRTWUBWQGHHRU-UHFFFAOYSA-N 0 3 430.567 6.062 50 0 IKAAHN Cc1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C ZINC000034683502 555819173 /nfs/dbraw/zinc/81/91/73/555819173.db2.gz NMVZMZMIAZLGMM-UHFFFAOYSA-N 0 3 434.530 5.893 50 0 IKAAHN CC(=O)C1(c2ccccc2)CCN(Cc2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000034684945 555820648 /nfs/dbraw/zinc/82/06/48/555820648.db2.gz BQWDSMMTMSGKDG-UHFFFAOYSA-N 0 3 426.560 5.370 50 0 IKAAHN Cc1cccc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)CN(Cc3ccccc3F)C2)c1 ZINC000034711421 555824399 /nfs/dbraw/zinc/82/43/99/555824399.db2.gz YBHSIBMBIOMRIC-BJKOFHAPSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3ccccc3)CN(Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711392 555824431 /nfs/dbraw/zinc/82/44/31/555824431.db2.gz PBRQTRFVQCMQAC-DNQXCXABSA-N 0 3 434.530 5.195 50 0 IKAAHN COc1ccc(NC(=O)[C@H]2C[C@H](c3cccc(C)c3)CN(Cc3cccc(F)c3)C2)cc1 ZINC000034711271 555824452 /nfs/dbraw/zinc/82/44/52/555824452.db2.gz GSEIMQAEPFIHEQ-GOTSBHOMSA-N 0 3 432.539 5.387 50 0 IKAAHN COc1ccc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)CN(Cc3cccc(F)c3)C2)cc1 ZINC000034711273 555824533 /nfs/dbraw/zinc/82/45/33/555824533.db2.gz GSEIMQAEPFIHEQ-XZOQPEGZSA-N 0 3 432.539 5.387 50 0 IKAAHN S=C(Nc1ccc(Br)cc1Cl)NC1CCN(Cc2ccccc2)CC1 ZINC000002851735 555839641 /nfs/dbraw/zinc/83/96/41/555839641.db2.gz LAMJXNKMRSGCNB-UHFFFAOYSA-N 0 3 438.822 5.054 50 0 IKAAHN Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNCc1ccccc1 ZINC000002914325 555862353 /nfs/dbraw/zinc/86/23/53/555862353.db2.gz DYRKYRSWTTUQDQ-HHHXNRCGSA-N 0 3 446.594 6.434 50 0 IKAAHN Cc1cc([C@H]2C[C@@H](C(=O)NCc3ccccc3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716629 555865966 /nfs/dbraw/zinc/86/59/66/555865966.db2.gz SQCNIMUXBLGGPT-BJKOFHAPSA-N 0 3 434.530 5.195 50 0 IKAAHN Cc1ccc(O[C@H](CCN2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000034728590 555868620 /nfs/dbraw/zinc/86/86/20/555868620.db2.gz LAEJPVFKCAKJGR-HHHXNRCGSA-N 0 3 435.011 5.976 50 0 IKAAHN COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2cccc(C)c2)CC1 ZINC000034726052 555882025 /nfs/dbraw/zinc/88/20/25/555882025.db2.gz ZVLILYCQONDRRF-UHFFFAOYSA-N 0 3 443.591 5.017 50 0 IKAAHN Cc1ccccc1N1CCN(CC[C@H](Oc2ccc(F)c(C)c2)c2ccc(F)cc2)CC1 ZINC000034740118 555883296 /nfs/dbraw/zinc/88/32/96/555883296.db2.gz ZQQWSWHWLFBIST-MHZLTWQESA-N 0 3 436.546 5.914 50 0 IKAAHN CC(C)C(=O)N(C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740808 555883998 /nfs/dbraw/zinc/88/39/98/555883998.db2.gz NUMPGQUHOIMTSA-ZJSXRUAMSA-N 0 3 430.995 5.588 50 0 IKAAHN COc1ccccc1[C@@H]1CN(Cc2cc(C)c(C)o2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000034740600 555884046 /nfs/dbraw/zinc/88/40/46/555884046.db2.gz VUAJCQXHVVSRPJ-RCZVLFRGSA-N 0 3 440.628 5.261 50 0 IKAAHN CC(=O)N(C[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740726 555884116 /nfs/dbraw/zinc/88/41/16/555884116.db2.gz ZNWDLHREOQWNNJ-NOZRDPDXSA-N 0 3 440.578 5.670 50 0 IKAAHN C[C@H](NC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1 ZINC000004575777 556002252 /nfs/dbraw/zinc/00/22/52/556002252.db2.gz FFOWQDDRXBXZSY-QFIPXVFZSA-N 0 3 428.576 5.355 50 0 IKAAHN CCCCCCOc1ccccc1NC(=O)OC(CN1CCCCC1)CN1CCCCC1 ZINC000004583358 556002796 /nfs/dbraw/zinc/00/27/96/556002796.db2.gz DHMLFLUIIOQLOJ-UHFFFAOYSA-N 0 3 445.648 5.535 50 0 IKAAHN CCN(CC)CCON(CCC(c1ccccc1)c1ccccc1)[C@H](C)c1ccccc1 ZINC000005591594 556060276 /nfs/dbraw/zinc/06/02/76/556060276.db2.gz LFMPJPVRZAGMDH-RUZDIDTESA-N 0 3 430.636 6.545 50 0 IKAAHN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](N(C)C)c3ccccc32)cc1 ZINC000006071859 556073638 /nfs/dbraw/zinc/07/36/38/556073638.db2.gz WRNXUQJJCIZICJ-DEOSSOPVSA-N 0 3 427.548 5.291 50 0 in-man IKAAHN S=C(Nc1ccccc1)N(Cc1ccccc1)CC1CCN(Cc2ccccc2)CC1 ZINC000009482477 556294245 /nfs/dbraw/zinc/29/42/45/556294245.db2.gz CCYFEUPROKITPC-UHFFFAOYSA-N 0 3 429.633 5.798 50 0 IKAAHN COc1ccccc1CN1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000009731029 556307821 /nfs/dbraw/zinc/30/78/21/556307821.db2.gz BRXPHNSYSWQCRY-UHFFFAOYSA-N 0 3 442.603 5.179 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013778780 556308213 /nfs/dbraw/zinc/30/82/13/556308213.db2.gz GCKILJIWMZTSLR-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013778778 556308282 /nfs/dbraw/zinc/30/82/82/556308282.db2.gz GCKILJIWMZTSLR-QHAWAJNXSA-N 0 3 439.298 5.045 50 0 IKAAHN CC(C)[C@@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000014014641 556355202 /nfs/dbraw/zinc/35/52/02/556355202.db2.gz QCCQFNPTTFPJRJ-AREMUKBSSA-N 0 3 430.548 5.587 50 0 IKAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccc(F)cc1F ZINC000011814573 556357992 /nfs/dbraw/zinc/35/79/92/556357992.db2.gz RZFFAPONGOPKQU-UHFFFAOYSA-N 0 3 440.456 5.010 50 0 IKAAHN CN(Cc1ccc(OCCNC(=O)c2cccc(F)c2)cc1)Cc1cccc2ccccc21 ZINC000011841661 556365540 /nfs/dbraw/zinc/36/55/40/556365540.db2.gz ZVPYWWMXWPRQQU-UHFFFAOYSA-N 0 3 442.534 5.420 50 0 IKAAHN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000011934571 556377549 /nfs/dbraw/zinc/37/75/49/556377549.db2.gz CPBYILZXWDPQHC-UHFFFAOYSA-N 0 3 441.579 5.163 50 0 IKAAHN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000011934598 556377648 /nfs/dbraw/zinc/37/76/48/556377648.db2.gz CULALNCYMOIBSG-UHFFFAOYSA-N 0 3 449.558 5.562 50 0 IKAAHN Cn1cc(CN2CCC(OCc3cccnc3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011936894 556379112 /nfs/dbraw/zinc/37/91/12/556379112.db2.gz RQIHETNOTRIYES-UHFFFAOYSA-N 0 3 444.623 5.711 50 0 IKAAHN CSc1ccc(NC(=O)[C@@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)cc1 ZINC000012020866 556386715 /nfs/dbraw/zinc/38/67/15/556386715.db2.gz CMCPJDYBTMBALF-QFIPXVFZSA-N 0 3 449.645 5.773 50 0 IKAAHN O=C(c1ccccc1OC1CCN(Cc2ccccc2-c2ccco2)CC1)N1CCCCC1 ZINC000012058320 556395196 /nfs/dbraw/zinc/39/51/96/556395196.db2.gz KBXAYGVBZPSVFI-UHFFFAOYSA-N 0 3 444.575 5.616 50 0 IKAAHN Cc1c(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)[nH]c2c1cccc2C ZINC000012073358 556396462 /nfs/dbraw/zinc/39/64/62/556396462.db2.gz DMKQTWPGDLLYPC-UHFFFAOYSA-N 0 3 445.607 5.454 50 0 IKAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 ZINC000032622635 556409923 /nfs/dbraw/zinc/40/99/23/556409923.db2.gz ZIRHHRQTORDJAU-FQEVSTJZSA-N 0 3 425.598 5.514 50 0 IKAAHN CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032622871 556410218 /nfs/dbraw/zinc/41/02/18/556410218.db2.gz ZJRYDQOKJNPANU-QFIPXVFZSA-N 0 3 438.955 5.067 50 0 IKAAHN CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 ZINC000032622873 556410267 /nfs/dbraw/zinc/41/02/67/556410267.db2.gz ZJRYDQOKJNPANU-JOCHJYFZSA-N 0 3 438.955 5.067 50 0 IKAAHN CN1CCCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000014358897 556414145 /nfs/dbraw/zinc/41/41/45/556414145.db2.gz JFFCBCIKYQYZAV-UHFFFAOYSA-N 0 3 445.057 5.268 50 0 IKAAHN CCc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000032664947 556416678 /nfs/dbraw/zinc/41/66/78/556416678.db2.gz UKULNWJWIMFNLM-RBUKOAKNSA-N 0 3 445.563 5.188 50 0 IKAAHN CCc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000032664944 556416762 /nfs/dbraw/zinc/41/67/62/556416762.db2.gz UKULNWJWIMFNLM-RTBURBONSA-N 0 3 445.563 5.188 50 0 IKAAHN CCc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000032664940 556416817 /nfs/dbraw/zinc/41/68/17/556416817.db2.gz UKULNWJWIMFNLM-MOPGFXCFSA-N 0 3 445.563 5.188 50 0 IKAAHN C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000032836182 556418167 /nfs/dbraw/zinc/41/81/67/556418167.db2.gz RGQOVZZKTQFIKW-HNNXBMFYSA-N 0 3 429.998 5.104 50 0 IKAAHN CC1CCN([C@H](CNC(=O)Cc2csc(-c3cccs3)n2)c2cccs2)CC1 ZINC000012973015 556419356 /nfs/dbraw/zinc/41/93/56/556419356.db2.gz LVAGBMCGEBKSKG-QGZVFWFLSA-N 0 3 431.652 5.065 50 0 IKAAHN O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@H](c1cccs1)c1ccccc1 ZINC000014670851 556431414 /nfs/dbraw/zinc/43/14/14/556431414.db2.gz OFAYBEXHISKISS-IGKIAQTJSA-N 0 3 426.585 5.527 50 0 IKAAHN CN(C)[C@H](CNc1nc(-c2cccnc2)nc2sc3c(c21)CCCC3)c1ccccc1 ZINC000013014177 556436724 /nfs/dbraw/zinc/43/67/24/556436724.db2.gz XMZLXZHLHQLRMQ-HXUWFJFHSA-N 0 3 429.593 5.347 50 0 IKAAHN Cc1ccc(C)c(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1 ZINC000014962826 556464645 /nfs/dbraw/zinc/46/46/45/556464645.db2.gz WZLJAGVDKWMBGD-UHFFFAOYSA-N 0 3 430.596 5.298 50 0 IKAAHN C/C=C(\C)CN1CCC(c2nnc(SCc3ccc(F)cc3)n2C[C@H]2CCCO2)CC1 ZINC000014966331 556465683 /nfs/dbraw/zinc/46/56/83/556465683.db2.gz BNAIMRIFOVURAN-GERYVEDWSA-N 0 3 444.620 5.034 50 0 IKAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc(C3CCCCC3)s2)CC1)c1cccnc1 ZINC000014979795 556470225 /nfs/dbraw/zinc/47/02/25/556470225.db2.gz CAGLKUPRTGGRSG-UHFFFAOYSA-N 0 3 449.624 5.477 50 0 IKAAHN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000014980553 556470556 /nfs/dbraw/zinc/47/05/56/556470556.db2.gz HTGZMTABAHLJHV-UHFFFAOYSA-N 0 3 431.420 5.541 50 0 IKAAHN CN(Cc1ccc(OCCNC(=O)c2cccs2)cc1)Cc1cccc2ccccc21 ZINC000014981443 556470970 /nfs/dbraw/zinc/47/09/70/556470970.db2.gz CQYQKYFTUDRWEM-UHFFFAOYSA-N 0 3 430.573 5.342 50 0 IKAAHN Cc1ccc(C(=O)NC[C@H](C)Oc2ccc(CN3CCC(c4ccccc4)CC3)cc2)s1 ZINC000014983900 556471637 /nfs/dbraw/zinc/47/16/37/556471637.db2.gz JFQVPPAAYOIONZ-FQEVSTJZSA-N 0 3 448.632 5.633 50 0 IKAAHN COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CNC2CCCCC2)cc1 ZINC000013146602 556488737 /nfs/dbraw/zinc/48/87/37/556488737.db2.gz AZLIJBXIYNQDQZ-HHHXNRCGSA-N 0 3 441.575 5.448 50 0 IKAAHN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN([C@@H](C)Cc2cc(C)ccn2)CC1 ZINC000015072905 556497235 /nfs/dbraw/zinc/49/72/35/556497235.db2.gz CJJJPTQWCVUPDN-IBGZPJMESA-N 0 3 448.529 5.228 50 0 IKAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3c[nH]nc3C3CCCCC3)C2)c(C)c1 ZINC000015074144 556498005 /nfs/dbraw/zinc/49/80/05/556498005.db2.gz ABOIHPSOYKEEQF-FQEVSTJZSA-N 0 3 438.616 5.405 50 0 IKAAHN O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000015859975 556558496 /nfs/dbraw/zinc/55/84/96/556558496.db2.gz HJRHFUZWAIIANN-QHCPKHFHSA-N 0 3 449.620 5.629 50 0 IKAAHN CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 ZINC000015946738 556567813 /nfs/dbraw/zinc/56/78/13/556567813.db2.gz DDJKJUJZGZWOMY-QGZVFWFLSA-N 0 3 441.641 5.398 50 0 IKAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)C1 ZINC000022077681 556577847 /nfs/dbraw/zinc/57/78/47/556577847.db2.gz GTLYIXATMVSPGU-NRFANRHFSA-N 0 3 434.580 5.497 50 0 IKAAHN CCN1CCC[C@H]1CN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000034719602 556581547 /nfs/dbraw/zinc/58/15/47/556581547.db2.gz SUMBPUAQPZQJBA-PXNSSMCTSA-N 0 3 439.909 5.113 50 0 IKAAHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000016196323 556590645 /nfs/dbraw/zinc/59/06/45/556590645.db2.gz SRZLJPFFQRBTIR-UHFFFAOYSA-N 0 3 446.330 5.600 50 0 IKAAHN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000016276164 556596540 /nfs/dbraw/zinc/59/65/40/556596540.db2.gz AIIAZNGHWVGDIG-UHFFFAOYSA-N 0 3 444.884 6.169 50 0 IKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000005091953 556633524 /nfs/dbraw/zinc/63/35/24/556633524.db2.gz WOSIRNLEJAAQTM-OAQYLSRUSA-N 0 3 425.960 5.093 50 0 IKAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@@H]21 ZINC000005091728 556633701 /nfs/dbraw/zinc/63/37/01/556633701.db2.gz NXPJETGVRHQEDV-NRFANRHFSA-N 0 3 425.960 5.093 50 0 IKAAHN CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005093850 556633922 /nfs/dbraw/zinc/63/39/22/556633922.db2.gz DUIQVZMYHHJIOJ-OAQYLSRUSA-N 0 3 425.960 5.094 50 0 IKAAHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000043005001 556660809 /nfs/dbraw/zinc/66/08/09/556660809.db2.gz XZQQWSCOYRNXPN-SFHVURJKSA-N 0 3 445.485 5.492 50 0 IKAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000043005005 556660906 /nfs/dbraw/zinc/66/09/06/556660906.db2.gz XZQQWSCOYRNXPN-GOSISDBHSA-N 0 3 445.485 5.492 50 0 IKAAHN COc1cc(OC)c(OC)cc1CN1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000043125058 556661181 /nfs/dbraw/zinc/66/11/81/556661181.db2.gz QQJULMBGCKMTGL-QGZVFWFLSA-N 0 3 441.959 5.136 50 0 IKAAHN CC(C)CN(C[C@H]1CN(Cc2ccco2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248256723 556677662 /nfs/dbraw/zinc/67/76/62/556677662.db2.gz UZLQUDHJFTYUQQ-BVAGGSTKSA-N 0 3 434.555 5.433 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000137863160 556698850 /nfs/dbraw/zinc/69/88/50/556698850.db2.gz GCKILJIWMZTSLR-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1cc(C(=O)NCCN(C)Cc2ccccc2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036833 556719678 /nfs/dbraw/zinc/71/96/78/556719678.db2.gz UDTKAEALYZYEOO-UHFFFAOYSA-N 0 3 427.523 5.211 50 0 IKAAHN CCn1c2ccccc2c2cc(CN3CCN(Cc4ccc5ccccc5c4)CC3)ccc21 ZINC000019369765 556747399 /nfs/dbraw/zinc/74/73/99/556747399.db2.gz VNPXOFVVKBCCDJ-UHFFFAOYSA-N 0 3 433.599 6.285 50 0 IKAAHN Clc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(Cl)c1 ZINC000057527373 556748047 /nfs/dbraw/zinc/74/80/47/556748047.db2.gz FGWFMYJEUCEYIC-UHFFFAOYSA-N 0 3 426.391 5.928 50 0 IKAAHN COc1ccc([C@@H]2NC[C@@H](c3cccc(OC)c3OC)c3c4ccccc4[nH]c32)cc1OC ZINC000083975917 556748742 /nfs/dbraw/zinc/74/87/42/556748742.db2.gz MIBRBZIHVIFGLP-DFBJGRDBSA-N 0 3 444.531 5.027 50 0 IKAAHN O=C(Nc1cccc(CN2CCCC2)c1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000058118658 556759522 /nfs/dbraw/zinc/75/95/22/556759522.db2.gz HEYZUNWQXCDTID-UHFFFAOYSA-N 0 3 432.749 5.432 50 0 IKAAHN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1C ZINC000058175566 556769398 /nfs/dbraw/zinc/76/93/98/556769398.db2.gz KFLIWZASLSTNTD-OXQOHEQNSA-N 0 3 433.577 5.370 50 0 IKAAHN CN(Cc1cccc(Cl)c1Cl)Cn1ccc(=O)c2cccc(Br)c21 ZINC000058377550 556783730 /nfs/dbraw/zinc/78/37/30/556783730.db2.gz FWJRFWNZJHLRBP-UHFFFAOYSA-N 0 3 426.141 5.160 50 0 IKAAHN CCCCCc1ccc(OCCCCN2CCc3c(ncn3C)C2)c(CCCCC)c1 ZINC000005397764 556793292 /nfs/dbraw/zinc/79/32/92/556793292.db2.gz BEBYTTNNHUSWQF-UHFFFAOYSA-N 0 3 425.661 6.103 50 0 IKAAHN C(\c1ccccc1)=C1\CCC[C@@H]2[C@@H](c3ccccc3)C3=C(CCCC3)O[C@@]12N1CCCC1 ZINC000063603940 556821507 /nfs/dbraw/zinc/82/15/07/556821507.db2.gz IJXXRBRQXUPTCZ-QNNATRIOSA-N 0 3 425.616 7.304 50 0 IKAAHN COc1cccc(-c2nc3c(OC)ccc(OC)c3cc2CN[C@@H](C)c2cccs2)c1 ZINC000064002434 556822369 /nfs/dbraw/zinc/82/23/69/556822369.db2.gz QKILCHVJMQUPEX-INIZCTEOSA-N 0 3 434.561 5.840 50 0 IKAAHN CN(C)c1ccc(P2C3=C(N4CCCCC4)CC(C)(C)CC3=NN2c2ccccc2)cc1 ZINC000068719959 556849701 /nfs/dbraw/zinc/84/97/01/556849701.db2.gz PZPPDIAKGSJNEJ-UHFFFAOYSA-N 0 3 446.579 6.169 50 0 IKAAHN COc1ccc(CN2C(=O)c3ccccc3[C@@H]2N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004676896 556872823 /nfs/dbraw/zinc/87/28/23/556872823.db2.gz CPLKMMGVQMTAPZ-LUBZPXDRSA-N 0 3 430.592 5.544 50 0 IKAAHN O=C(C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)N1CCc2ccccc2C1 ZINC000004689704 556881811 /nfs/dbraw/zinc/88/18/11/556881811.db2.gz DJYMELAHZNPNKP-UHFFFAOYSA-N 0 3 426.560 5.276 50 0 IKAAHN Cc1ccc(CNC(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000004700407 556887241 /nfs/dbraw/zinc/88/72/41/556887241.db2.gz ZOLLOIOFMNJGQR-UHFFFAOYSA-N 0 3 428.576 5.102 50 0 IKAAHN Cc1ccc(CSCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000019800362 556917454 /nfs/dbraw/zinc/91/74/54/556917454.db2.gz BWBPBZDKXWVZSS-UHFFFAOYSA-N 0 3 430.617 5.217 50 0 IKAAHN Nc1c(Cl)cc([C@H](O)CN[C@@H]2c3ccccc3CSc3ccccc32)cc1Cl ZINC000019801899 556917674 /nfs/dbraw/zinc/91/76/74/556917674.db2.gz JQXZAVXODXQBDJ-DENIHFKCSA-N 0 3 431.388 5.594 50 0 IKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccccc2F)c1 ZINC000019904804 556942300 /nfs/dbraw/zinc/94/23/00/556942300.db2.gz LMZXBJCNZMYJRY-VWLOTQADSA-N 0 3 432.495 5.138 50 0 biogenic IKAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccccc2F)c1 ZINC000019904802 556942405 /nfs/dbraw/zinc/94/24/05/556942405.db2.gz LMZXBJCNZMYJRY-RUZDIDTESA-N 0 3 432.495 5.138 50 0 biogenic IKAAHN Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020036837 556970550 /nfs/dbraw/zinc/97/05/50/556970550.db2.gz IJGLKMSKVDPCAD-UHFFFAOYSA-N 0 3 430.617 5.217 50 0 IKAAHN CC1=C(C)[C@@H](OC2CCN(Cc3ccccc3)CC2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020146041 556990678 /nfs/dbraw/zinc/99/06/78/556990678.db2.gz PZOBURSZJVEHCU-AREMUKBSSA-N 0 3 438.999 5.068 50 0 IKAAHN COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020332560 557008483 /nfs/dbraw/zinc/00/84/83/557008483.db2.gz BCVGZWGOZJGMDJ-UHFFFAOYSA-N 0 3 449.558 5.031 50 0 IKAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023128054 557012058 /nfs/dbraw/zinc/01/20/58/557012058.db2.gz IDUVQKVDAVMGKZ-UHFFFAOYSA-N 0 3 429.973 5.007 50 0 IKAAHN O=C(C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1)N1CCCCCC1 ZINC000046055922 557027794 /nfs/dbraw/zinc/02/77/94/557027794.db2.gz WFEUHZSLRTVZPB-UHFFFAOYSA-N 0 3 447.598 5.443 50 0 IKAAHN CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(cc(F)cc2F)s1 ZINC000017287568 557045230 /nfs/dbraw/zinc/04/52/30/557045230.db2.gz WRZNYSKVIQOGNW-UHFFFAOYSA-N 0 3 443.563 5.442 50 0 IKAAHN COc1cc(CNC[C@H](c2cccs2)N2CCCC2)ccc1OCc1cccs1 ZINC000022933701 557051107 /nfs/dbraw/zinc/05/11/07/557051107.db2.gz QQEPEIVRONVDIH-HXUWFJFHSA-N 0 3 428.623 5.324 50 0 IKAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000048286840 557052921 /nfs/dbraw/zinc/05/29/21/557052921.db2.gz AKQDKRQQYNFANV-IBGZPJMESA-N 0 3 426.517 5.033 50 0 IKAAHN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000023078900 557062417 /nfs/dbraw/zinc/06/24/17/557062417.db2.gz FVYHQKURYYLGOH-UHFFFAOYSA-N 0 3 435.571 5.605 50 0 IKAAHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3cc(C)ccc3C)n3c4ccccc4nc32)cc1 ZINC000023382110 557089184 /nfs/dbraw/zinc/08/91/84/557089184.db2.gz SJSAZYULEUWZMW-XMMPIXPASA-N 0 3 438.531 5.078 50 0 IKAAHN CN(Cc1cccs1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000023505117 557095288 /nfs/dbraw/zinc/09/52/88/557095288.db2.gz PTMUJFKSEIKTHV-UHFFFAOYSA-N 0 3 434.605 5.106 50 0 IKAAHN O=C(NC1CCCCC1)C1CCN(Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000049535987 557110537 /nfs/dbraw/zinc/11/05/37/557110537.db2.gz HFYHMPPMQUPNSH-UHFFFAOYSA-N 0 3 447.598 5.490 50 0 IKAAHN O=C(NC1CCCC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000049535980 557110614 /nfs/dbraw/zinc/11/06/14/557110614.db2.gz YJZWDMRUAVYXJL-UHFFFAOYSA-N 0 3 433.571 5.100 50 0 IKAAHN C(\c1ccccc1)=C1\CCC[C@@H]2[C@H](c3ccccc3)C3=C(CCCC3)O[C@@]12N1CCCC1 ZINC000215681625 557134678 /nfs/dbraw/zinc/13/46/78/557134678.db2.gz IJXXRBRQXUPTCZ-DAFSRTLASA-N 0 3 425.616 7.304 50 0 IKAAHN C[C@](O)(c1ccccc1Cl)[C@@H](c1ccc(OCCN2CCCC2)cc1)c1ccccn1 ZINC000095918062 557161271 /nfs/dbraw/zinc/16/12/71/557161271.db2.gz HFTLWXIJZPQFAT-UIOOFZCWSA-N 0 3 436.983 5.249 50 0 IKAAHN COc1ccccc1OC1=CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000095918158 557161709 /nfs/dbraw/zinc/16/17/09/557161709.db2.gz NUKWXOMZOQQNJY-UHFFFAOYSA-N 0 3 449.541 6.554 50 0 IKAAHN COc1cccc([C@H]2CN[C@@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC ZINC000025480344 557212168 /nfs/dbraw/zinc/21/21/68/557212168.db2.gz YUWKNXAQUIIHLZ-YKSBVNFPSA-N 0 3 430.573 5.732 50 0 IKAAHN CCOc1cc([C@H]2NC[C@@H](c3ccccc3)c3c4ccccc4[nH]c32)ccc1OCC(C)C ZINC000025719464 557223279 /nfs/dbraw/zinc/22/32/79/557223279.db2.gz OTJQJEUYFTUZQO-NEKDWFFYSA-N 0 3 440.587 6.426 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000025762615 557224921 /nfs/dbraw/zinc/22/49/21/557224921.db2.gz KXAAKWTUJRULDI-NRFANRHFSA-N 0 3 430.379 5.737 50 0 IKAAHN Nc1c2c(nc3c1CCCCC3)n(Cc1ccco1)c(-c1ccccc1)c2-c1ccccc1 ZINC000018285682 557255944 /nfs/dbraw/zinc/25/59/44/557255944.db2.gz WRDDRYBEIPKMBW-UHFFFAOYSA-N 0 3 433.555 6.863 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000102723264 557369172 /nfs/dbraw/zinc/36/91/72/557369172.db2.gz VFLVERBIEIQBPN-PCCBWWKXSA-N 0 3 439.298 5.045 50 0 IKAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1=O ZINC000102730256 557371246 /nfs/dbraw/zinc/37/12/46/557371246.db2.gz DNRSHPPENRRNNQ-YMPZKCBVSA-N 0 3 432.907 5.008 50 0 IKAAHN Cc1cc(C)c(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)c(C)c1 ZINC000102714862 557375019 /nfs/dbraw/zinc/37/50/19/557375019.db2.gz MCAJYCWBANOJCU-GMKZXUHWSA-N 0 3 446.934 5.316 50 0 IKAAHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 ZINC000102714862 557375022 /nfs/dbraw/zinc/37/50/22/557375022.db2.gz MCAJYCWBANOJCU-GMKZXUHWSA-N 0 3 446.934 5.316 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 ZINC000102750016 557379119 /nfs/dbraw/zinc/37/91/19/557379119.db2.gz QMPCFFAWGGZZJL-DSNGMDLFSA-N 0 3 440.543 5.344 50 0 IKAAHN Cc1cccc(CN2CCc3ccc(O[C@H](C)C(=O)NC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000105022697 557473108 /nfs/dbraw/zinc/47/31/08/557473108.db2.gz ACMDUCRFEHHFLQ-LYZGTLIUSA-N 0 3 440.587 5.189 50 0 IKAAHN Cc1ccccc1[C@H]1CN(Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042022 557473517 /nfs/dbraw/zinc/47/35/17/557473517.db2.gz XPMZOHXHEZSRQC-NVQXNPDNSA-N 0 3 433.571 5.229 50 0 IKAAHN Cc1ccccc1[C@H]1CN(Cc2ccco2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042014 557473639 /nfs/dbraw/zinc/47/36/39/557473639.db2.gz RYCIYFBAXZVXOO-NVQXNPDNSA-N 0 3 434.555 5.494 50 0 IKAAHN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)c(C)c1 ZINC000226826041 557809450 /nfs/dbraw/zinc/80/94/50/557809450.db2.gz SEPGHCCRPAHPBO-YTFSRNRJSA-N 0 3 432.907 5.008 50 0 IKAAHN O=C(Nc1cccc(CNC[C@H](c2cccs2)N2CCCC2)c1)c1ccccc1Cl ZINC000024981473 557822244 /nfs/dbraw/zinc/82/22/44/557822244.db2.gz RFLKNHGOPZVHLK-JOCHJYFZSA-N 0 3 440.012 5.581 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl ZINC000229994540 557834770 /nfs/dbraw/zinc/83/47/70/557834770.db2.gz GWFDKPXTLMKEHJ-QKNQBKEWSA-N 0 3 439.298 5.045 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000229999814 557835123 /nfs/dbraw/zinc/83/51/23/557835123.db2.gz SALBNUSWSPILRS-PWRODBHTSA-N 0 3 439.298 5.045 50 0 IKAAHN CCCCC[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000013517308 557836297 /nfs/dbraw/zinc/83/62/97/557836297.db2.gz INXGAHHQCIHNOR-SHHHLKPLSA-N 0 3 443.631 6.897 50 0 IKAAHN Cc1sc2nc(SCCN(C)C)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 ZINC000003343977 562934556 /nfs/dbraw/zinc/93/45/56/562934556.db2.gz WIQVPSDSSXAQHC-UHFFFAOYSA-N 0 3 439.581 5.215 50 0 IKAAHN CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3Cl)=NN12 ZINC000008837188 562965152 /nfs/dbraw/zinc/96/51/52/562965152.db2.gz HPWJZRONDPQFTE-LJQANCHMSA-N 0 3 446.776 5.068 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 ZINC000009397108 562970005 /nfs/dbraw/zinc/97/00/05/562970005.db2.gz XXMRRDBZMDAOOR-OAQYLSRUSA-N 0 3 440.385 5.193 50 0 IKAAHN COc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC1CCN(C(C)C)CC1 ZINC000011879566 562979769 /nfs/dbraw/zinc/97/97/69/562979769.db2.gz IYYVUDMDQUPJOJ-DEOSSOPVSA-N 0 3 436.596 5.096 50 0 IKAAHN CCn1cc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c(C)n1 ZINC000012072995 562980712 /nfs/dbraw/zinc/98/07/12/562980712.db2.gz RTFURTSIKJGZHS-QFIPXVFZSA-N 0 3 441.579 5.210 50 0 IKAAHN C[C@H](c1nccs1)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012300899 562981093 /nfs/dbraw/zinc/98/10/93/562981093.db2.gz CGIGALWQMLKWKR-HXUWFJFHSA-N 0 3 449.620 5.062 50 0 IKAAHN CCOc1cc([C@H]2NCCc3c4ccccc4[nH]c32)ccc1OCc1ccccc1Cl ZINC000001322396 568780227 /nfs/dbraw/zinc/78/02/27/568780227.db2.gz RXXKBFWBKYKLPJ-RUZDIDTESA-N 0 3 432.951 6.034 50 0 biogenic IKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C(F)(F)F)cc2)N2CCCC2)c1C ZINC000001448865 568817644 /nfs/dbraw/zinc/81/76/44/568817644.db2.gz GKXSMZSJWGNERB-HXUWFJFHSA-N 0 3 448.510 6.414 50 0 IKAAHN CC1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000015859367 568847600 /nfs/dbraw/zinc/84/76/00/568847600.db2.gz ZVMQKLDVZLVEQQ-DEOSSOPVSA-N 0 3 430.573 6.568 50 0 IKAAHN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccccc2)N2CCC(C)CC2)cc1 ZINC000015859568 568847865 /nfs/dbraw/zinc/84/78/65/568847865.db2.gz UKGMMNRPSANBKH-HHHXNRCGSA-N 0 3 438.571 6.815 50 0 IKAAHN CCCCN(C)C(=O)C1CCN(Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865849 568850466 /nfs/dbraw/zinc/85/04/66/568850466.db2.gz JYIKDWIMESVWNP-UHFFFAOYSA-N 0 3 435.587 5.299 50 0 IKAAHN O=C(CN1CCCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006530085 568929831 /nfs/dbraw/zinc/92/98/31/568929831.db2.gz VYDILBKREWJQQE-MHZLTWQESA-N 0 3 425.576 5.784 50 0 IKAAHN CCc1ccc(-c2c3cnc4ccc(Cl)cc4c3sc2C(=O)NCCN(C)C)cc1 ZINC000064588542 568934657 /nfs/dbraw/zinc/93/46/57/568934657.db2.gz PAJWUQVUCQDJMD-UHFFFAOYSA-N 0 3 437.996 5.624 50 0 IKAAHN Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCN3CCCC3)o2)cc1 ZINC000064669353 568943249 /nfs/dbraw/zinc/94/32/49/568943249.db2.gz SMULIHFNKJUSFS-UHFFFAOYSA-N 0 3 446.595 5.449 50 0 IKAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)c(C)c1 ZINC000036099018 568951999 /nfs/dbraw/zinc/95/19/99/568951999.db2.gz RRJCIWRXKVJOTI-DEOSSOPVSA-N 0 3 427.947 5.538 50 0 IKAAHN Cc1ccc(CN2C[C@@H](CN(C(=O)C3CCCC3)C(C)C)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000169679825 568991195 /nfs/dbraw/zinc/99/11/95/568991195.db2.gz UGQGMBVZTJYOJV-WIOPSUGQSA-N 0 3 426.576 5.370 50 0 IKAAHN CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306093 568995463 /nfs/dbraw/zinc/99/54/63/568995463.db2.gz CKEUJNXPJXTBFR-OAQYLSRUSA-N 0 3 437.584 5.259 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CC(C)C)C[C@@H](C)O ZINC000036316456 568999810 /nfs/dbraw/zinc/99/98/10/568999810.db2.gz IFWLKBGIXGIKNV-LJQANCHMSA-N 0 3 425.548 5.205 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1CN(C[C@H](C)O)[C@@H](C)CC ZINC000036316395 568999879 /nfs/dbraw/zinc/99/98/79/568999879.db2.gz FMQIQCHCXLBRLV-PMACEKPBSA-N 0 3 437.584 5.217 50 0 IKAAHN CC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341967 569079608 /nfs/dbraw/zinc/07/96/08/569079608.db2.gz GBWGOVTZPUKORX-JOCHJYFZSA-N 0 3 437.584 5.211 50 0 IKAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1CN(CC(C)C)C[C@@H](C)O ZINC000036341948 569079693 /nfs/dbraw/zinc/07/96/93/569079693.db2.gz MXIHQBJMGYJUDK-GOSISDBHSA-N 0 3 427.976 5.465 50 0 IKAAHN CCOc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036344169 569080040 /nfs/dbraw/zinc/08/00/40/569080040.db2.gz HATRIGRXRWXCQJ-RUZDIDTESA-N 0 3 449.595 5.036 50 0 IKAAHN CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN(C)C2CCCCC2)cc1 ZINC000036343977 569080074 /nfs/dbraw/zinc/08/00/74/569080074.db2.gz OMDFQWQMQLRULD-VWLOTQADSA-N 0 3 437.559 5.167 50 0 IKAAHN CCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346085 569080776 /nfs/dbraw/zinc/08/07/76/569080776.db2.gz KSFFZJWNFKOAMB-QFIPXVFZSA-N 0 3 437.559 5.485 50 0 IKAAHN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346112 569081160 /nfs/dbraw/zinc/08/11/60/569081160.db2.gz ALQOWNIJEQASPP-RUZDIDTESA-N 0 3 449.639 6.291 50 0 IKAAHN CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)CC)CC1CC1 ZINC000036346540 569081432 /nfs/dbraw/zinc/08/14/32/569081432.db2.gz GCMMMCAJGHFVJT-QHCPKHFHSA-N 0 3 433.596 5.518 50 0 IKAAHN CCn1cc(CN2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)c2cc(OC)ccc21 ZINC000065060013 569095812 /nfs/dbraw/zinc/09/58/12/569095812.db2.gz HCXHSWWGXLZSKW-SANMLTNESA-N 0 3 445.607 5.076 50 0 IKAAHN CCn1cc(CN2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c2cc(OC)ccc21 ZINC000065060009 569095890 /nfs/dbraw/zinc/09/58/90/569095890.db2.gz UMNIFAFVOMKQIB-OAQYLSRUSA-N 0 3 447.623 5.019 50 0 IKAAHN Cc1ccc(CN(C(=O)Nc2cccc(C)c2C)C2CCN(Cc3ccccc3)CC2)o1 ZINC000006877651 569096178 /nfs/dbraw/zinc/09/61/78/569096178.db2.gz STBBGVJOHAQRIL-UHFFFAOYSA-N 0 3 431.580 5.904 50 0 IKAAHN COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000037279968 569145678 /nfs/dbraw/zinc/14/56/78/569145678.db2.gz LWHAWHJAXIICIW-UHFFFAOYSA-N 0 3 432.539 5.454 50 0 IKAAHN COc1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(C)cc3)CC2)cc1 ZINC000037280022 569145758 /nfs/dbraw/zinc/14/57/58/569145758.db2.gz NXQLCSBPUXRTJA-UHFFFAOYSA-N 0 3 432.539 5.454 50 0 IKAAHN COc1ccc(CN2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(OC)cc3)CC2)cc1 ZINC000037280007 569145822 /nfs/dbraw/zinc/14/58/22/569145822.db2.gz YXSSBHLJHNPLNZ-UHFFFAOYSA-N 0 3 444.575 5.324 50 0 IKAAHN CC1CCN([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)c2cccs2)CC1 ZINC000014515267 569159198 /nfs/dbraw/zinc/15/91/98/569159198.db2.gz WQICALADWCGFAS-IBGZPJMESA-N 0 3 432.680 5.430 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@]1(N3CCCCC3)CCCC[C@@H]1[C@@H]2c1ccccc1 ZINC000002072729 569176972 /nfs/dbraw/zinc/17/69/72/569176972.db2.gz XHZACPFETSQKJX-VRKXWCSBSA-N 0 3 439.643 7.694 50 0 IKAAHN CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000009232617 569181011 /nfs/dbraw/zinc/18/10/11/569181011.db2.gz DTKZRIKYXAEIIK-NRFANRHFSA-N 0 3 440.385 5.195 50 0 IKAAHN Cc1ccc(C(=O)N2CCC(C)CC2)c(C2CCN(Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000037554294 569200432 /nfs/dbraw/zinc/20/04/32/569200432.db2.gz XMPDZZYTNRNRNC-UHFFFAOYSA-N 0 3 433.640 5.765 50 0 IKAAHN COc1ccccc1CN1CCC(c2nc(C)ccc2C(=O)N(C)C2CCCCC2)CC1 ZINC000037554283 569200445 /nfs/dbraw/zinc/20/04/45/569200445.db2.gz XGCVSXJSLPKOOY-UHFFFAOYSA-N 0 3 435.612 5.183 50 0 IKAAHN COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000037560694 569201116 /nfs/dbraw/zinc/20/11/16/569201116.db2.gz VPFLWQSGEKAKQI-UHFFFAOYSA-N 0 3 432.539 5.454 50 0 IKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002232277 569210753 /nfs/dbraw/zinc/21/07/53/569210753.db2.gz JNXYDKVZIGYUKJ-HXUWFJFHSA-N 0 3 444.537 5.831 50 0 IKAAHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl ZINC000239274927 569268783 /nfs/dbraw/zinc/26/87/83/569268783.db2.gz AYMQJCUBXGBAEU-NJDAHSKKSA-N 0 3 439.298 5.045 50 0 IKAAHN CCCCC[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000245231688 569269579 /nfs/dbraw/zinc/26/95/79/569269579.db2.gz INXGAHHQCIHNOR-BETQZWDCSA-N 0 3 443.631 6.897 50 0 IKAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 ZINC000245310999 569269810 /nfs/dbraw/zinc/26/98/10/569269810.db2.gz LDNOEDBPXLUFCK-DSNGMDLFSA-N 0 3 440.543 5.344 50 0 IKAAHN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3ccco3)C[C@H]2c2ccccc2)cc1 ZINC000248084216 569270359 /nfs/dbraw/zinc/27/03/59/569270359.db2.gz DXMBMFXQBCQOND-BDYUSTAISA-N 0 3 430.592 5.602 50 0 IKAAHN C(\c1ccccc1)=C1\CCCC2=C1O[C@]1(N3CCCC3)CCCC[C@@H]1[C@H]2c1ccccc1 ZINC000252428375 569271334 /nfs/dbraw/zinc/27/13/34/569271334.db2.gz ASDJDGGAASGMTI-FWMXMZONSA-N 0 3 425.616 7.304 50 0 IKAAHN C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OCN2C1 ZINC000253594900 569273245 /nfs/dbraw/zinc/27/32/45/569273245.db2.gz GRMUAQMHJKQVFL-JJTRHFOMSA-N 0 3 427.673 5.629 50 0 biogenic IKAAHN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@]34C)[C@H]1CC[C@H]2OC(=O)CCN1CCCCC1 ZINC000253487119 569283023 /nfs/dbraw/zinc/28/30/23/569283023.db2.gz FKAJEUFWOXAABF-SMGCRDAUSA-N 0 3 429.645 5.386 50 0 IKAAHN Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4C3c3cccs3)sc2c1 ZINC000002445238 569304351 /nfs/dbraw/zinc/30/43/51/569304351.db2.gz JJXIVDSHVHVUNU-LJQANCHMSA-N 0 3 430.510 5.522 50 0 IKAAHN Brc1ccc([C@@H]2NCCc3c4cc(OCc5ccccc5)ccc4[nH]c32)cc1 ZINC000020111710 569334547 /nfs/dbraw/zinc/33/45/47/569334547.db2.gz CHHFORGPJYRIQU-QHCPKHFHSA-N 0 3 433.349 5.745 50 0 biogenic IKAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(C(C)(C)C)cc1 ZINC000094992816 569355737 /nfs/dbraw/zinc/35/57/37/569355737.db2.gz AWHQWAPZKNXRGB-DEOSSOPVSA-N 0 3 449.595 5.461 50 0 IKAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1 ZINC000020209594 569356094 /nfs/dbraw/zinc/35/60/94/569356094.db2.gz ORSLRVMFWIEEDY-UHFFFAOYSA-N 0 3 445.519 5.040 50 0 IKAAHN C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc21)N1CCCCC1 ZINC000080345955 569362787 /nfs/dbraw/zinc/36/27/87/569362787.db2.gz XKMYZHFQZAFWFR-KRWDZBQOSA-N 0 3 447.970 5.892 50 0 IKAAHN Cc1ccc2c(-c3cc4c(o3)c(C)ncc4CN3CCCC[C@H]3CCO)cc(=O)oc2c1C ZINC000095473925 569372505 /nfs/dbraw/zinc/37/25/05/569372505.db2.gz LRQLXFRGJMDLSR-FQEVSTJZSA-N 0 3 446.547 5.263 50 0 IKAAHN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000095480244 569373820 /nfs/dbraw/zinc/37/38/20/569373820.db2.gz PMSKJKHKJAAQLS-QHCPKHFHSA-N 0 3 435.999 5.096 50 0 IKAAHN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000095480245 569373847 /nfs/dbraw/zinc/37/38/47/569373847.db2.gz PMSKJKHKJAAQLS-HSZRJFAPSA-N 0 3 435.999 5.096 50 0 IKAAHN c1cc(-c2nnc(C3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)o2)cs1 ZINC000096024400 569380469 /nfs/dbraw/zinc/38/04/69/569380469.db2.gz OZPQLWJEXJDBHR-UHFFFAOYSA-N 0 3 431.561 5.757 50 0 IKAAHN Cc1ccc(Nc2nc(C(=O)NCCN3CCCC[C@@H]3C)cc3occc32)cc1Cl ZINC000096323719 569395359 /nfs/dbraw/zinc/39/53/59/569395359.db2.gz WKMFGFAXCXAREO-INIZCTEOSA-N 0 3 426.948 5.137 50 0 IKAAHN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(N2CCc3sccc3C2)CC1 ZINC000225688964 569407057 /nfs/dbraw/zinc/40/70/57/569407057.db2.gz SADNZVVNMPDTOQ-UHFFFAOYSA-N 0 3 441.984 5.028 50 0 IKAAHN CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000002546382 569408906 /nfs/dbraw/zinc/40/89/06/569408906.db2.gz MGXBJVWFWFDPMC-DEOSSOPVSA-N 0 3 434.605 6.201 50 0 IKAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 ZINC000230017514 569417406 /nfs/dbraw/zinc/41/74/06/569417406.db2.gz QMPCFFAWGGZZJL-ISJGIBHGSA-N 0 3 440.543 5.344 50 0 IKAAHN O=C(Nc1sc2c(c1CN1CCC(Cc3ccccc3)CC1)CCC2)c1ccc(F)cc1 ZINC000002889308 569424355 /nfs/dbraw/zinc/42/43/55/569424355.db2.gz YKLSJRWZAWAEFV-UHFFFAOYSA-N 0 3 448.607 6.083 50 0 IKAAHN CCc1ccc(Sc2cc(C(=O)NCCN3[C@H](C)CCC[C@H]3C)c3ccccc3n2)cc1 ZINC000002941388 569426711 /nfs/dbraw/zinc/42/67/11/569426711.db2.gz WCVYERRBBYFAOS-WOJBJXKFSA-N 0 3 447.648 5.941 50 0 IKAAHN FC(F)(F)c1cccc(NC(=S)N(CCN2CCCCCC2)Cc2ccco2)c1 ZINC000003665661 569455969 /nfs/dbraw/zinc/45/59/69/569455969.db2.gz VOFPQZCQKLCRMV-UHFFFAOYSA-N 0 3 425.520 5.373 50 0 IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000059409663 569461220 /nfs/dbraw/zinc/46/12/20/569461220.db2.gz RSUMDFBTCAAZNY-HOBRGOHXSA-N 0 3 443.031 5.085 50 0 biogenic IKAAHN Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)CC1 ZINC000059409622 569461243 /nfs/dbraw/zinc/46/12/43/569461243.db2.gz SDFFXZBPKQGUHN-XVOWXPBNSA-N 0 3 441.015 5.005 50 0 biogenic IKAAHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCCCC2)cc1 ZINC000038545973 569463302 /nfs/dbraw/zinc/46/33/02/569463302.db2.gz GWCUTUYGHDKGNU-JOCHJYFZSA-N 0 3 440.634 6.263 50 0 IKAAHN COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCCCC2)cc1 ZINC000038545974 569463312 /nfs/dbraw/zinc/46/33/12/569463312.db2.gz GWCUTUYGHDKGNU-QFIPXVFZSA-N 0 3 440.634 6.263 50 0 IKAAHN CC1CCN([C@@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)CC1 ZINC000038546340 569463448 /nfs/dbraw/zinc/46/34/48/569463448.db2.gz SQQPMRUFLLHSQR-QFIPXVFZSA-N 0 3 440.634 6.355 50 0 IKAAHN CC1CCN([C@H](c2cccs2)c2c3c(sc2NC(=O)c2ccco2)CCCC3)CC1 ZINC000038546341 569463521 /nfs/dbraw/zinc/46/35/21/569463521.db2.gz SQQPMRUFLLHSQR-JOCHJYFZSA-N 0 3 440.634 6.355 50 0 IKAAHN Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccs2)N2CCC(C)CC2)c1C ZINC000038546719 569463636 /nfs/dbraw/zinc/46/36/36/569463636.db2.gz AXWSLHGJWDMGCY-FQEVSTJZSA-N 0 3 430.664 6.562 50 0 IKAAHN COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2cccs2)N2CCCC2)cc1 ZINC000038546845 569463678 /nfs/dbraw/zinc/46/36/78/569463678.db2.gz JZJULARSNWEYDU-OAQYLSRUSA-N 0 3 426.607 5.873 50 0 IKAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000067341981 569469030 /nfs/dbraw/zinc/46/90/30/569469030.db2.gz DKMJTPHAZMTYTF-UHFFFAOYSA-N 0 3 428.319 5.170 50 0 IKAAHN CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000008717680 569471148 /nfs/dbraw/zinc/47/11/48/569471148.db2.gz PPVMRAFAGPNXMY-IBGZPJMESA-N 0 3 446.776 5.068 50 0 IKAAHN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)N2CCCC2)c1C ZINC000008763381 569474451 /nfs/dbraw/zinc/47/44/51/569474451.db2.gz NUUNZBVMYBPLNH-HXUWFJFHSA-N 0 3 446.519 5.997 50 0 IKAAHN O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008863175 569480222 /nfs/dbraw/zinc/48/02/22/569480222.db2.gz KFDDKRFTGQOBPE-SFHVURJKSA-N 0 3 427.397 5.167 50 0 IKAAHN Cc1cccc([C@@H]2C[C@H](C(=O)N[C@H](C)c3ccccc3)CN(Cc3cccc(F)c3)C2)c1 ZINC000245281442 569502234 /nfs/dbraw/zinc/50/22/34/569502234.db2.gz ZJSKDGOQOFWAHE-QGDZQMKYSA-N 0 3 430.567 5.617 50 0 IKAAHN CCN1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000009151105 569507366 /nfs/dbraw/zinc/50/73/66/569507366.db2.gz XBPKSKURMSQXBO-UHFFFAOYSA-N 0 3 428.989 5.200 50 0 IKAAHN O=C1c2oc3ccccc3c(=O)c2C(c2ccccc2F)N1c1nc2ccccc2s1 ZINC000009187126 569510282 /nfs/dbraw/zinc/51/02/82/569510282.db2.gz SDJLOVFGZPBADX-HXUWFJFHSA-N 0 3 428.444 5.292 50 0 IKAAHN CC(C)Cn1cc(NC(=O)Nc2ccc(CN3CCCCC3)cc2)c2ccccc2c1=O ZINC000009227620 569513449 /nfs/dbraw/zinc/51/34/49/569513449.db2.gz QAZZIXZUVMNWDJ-UHFFFAOYSA-N 0 3 432.568 5.287 50 0 IKAAHN Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCCN3CCCC[C@H]3C)cc12 ZINC000009229128 569513711 /nfs/dbraw/zinc/51/37/11/569513711.db2.gz ZSAUWUGUFZJRAU-GOSISDBHSA-N 0 3 438.015 5.564 50 0 IKAAHN CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 ZINC000009300126 569520573 /nfs/dbraw/zinc/52/05/73/569520573.db2.gz MRVMSAOKTCDCPQ-OAQYLSRUSA-N 0 3 430.379 5.737 50 0 IKAAHN CC(C)Sc1nc2sc3c(c2c2nnc(SCCN4CCCCC4)n21)CCCC3 ZINC000009347678 569524293 /nfs/dbraw/zinc/52/42/93/569524293.db2.gz CGCUPNWSQVOIKC-UHFFFAOYSA-N 0 3 447.699 5.296 50 0 IKAAHN COc1ccc([C@@H](CNC(=S)Nc2ccc(SC(F)F)cc2)N2CCCC2)cc1 ZINC000009491229 569540314 /nfs/dbraw/zinc/54/03/14/569540314.db2.gz RWESMSWETBMWNG-LJQANCHMSA-N 0 3 437.581 5.133 50 0 IKAAHN Fc1ccc(-c2nnc(C3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)o2)cc1 ZINC000070641655 569549051 /nfs/dbraw/zinc/54/90/51/569549051.db2.gz RVRTVMPVTXWPFC-UHFFFAOYSA-N 0 3 443.522 5.834 50 0 IKAAHN COc1ccc(Nc2c3cc(NC(=O)c4ccco4)ccc3nc3c2CCCC3)cc1OC ZINC000009612249 569552842 /nfs/dbraw/zinc/55/28/42/569552842.db2.gz VGVBLKQFVYXMQQ-UHFFFAOYSA-N 0 3 443.503 5.720 50 0 IKAAHN CCOC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CC(C)(C)NC2(C)C ZINC000009639877 569555291 /nfs/dbraw/zinc/55/52/91/569555291.db2.gz UUCKPPHXXHFGKM-UHFFFAOYSA-N 0 3 436.577 5.490 50 0 IKAAHN CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(C[C@H](C)O)CC1CC1 ZINC000036308038 569587969 /nfs/dbraw/zinc/58/79/69/569587969.db2.gz ZHCAOULCJWWPIE-IBGZPJMESA-N 0 3 437.559 5.520 50 0 IKAAHN