smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1N1CCN(CCCCNC(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000004364601 132271735 /nfs/dbraw/zinc/27/17/35/132271735.db2.gz AMTCTGUJDAILLK-UHFFFAOYSA-N 0 1 426.630 4.201 50 0 IIAAMN CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 ZINC000006288071 132276918 /nfs/dbraw/zinc/27/69/18/132276918.db2.gz RLKHTMDJFMUGEW-UHFFFAOYSA-N 0 1 438.984 4.372 50 0 IIAAMN Cc1nnc2c(NCCCN3CCN(c4cc(Cl)ccc4C)CC3)nc3ccccc3n12 ZINC000009405598 132314963 /nfs/dbraw/zinc/31/49/63/132314963.db2.gz VRUXELHDTOCBEQ-UHFFFAOYSA-N 0 1 449.990 4.172 50 0 IIAAMN COc1ccc2cc3cc(C(=O)Nc4ccccc4N4CCN(C)CC4)sc3nc2c1 ZINC000009561533 132321589 /nfs/dbraw/zinc/32/15/89/132321589.db2.gz WXKFNEHFLQMSBR-UHFFFAOYSA-N 0 1 432.549 4.462 50 0 IIAAMN CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035907815 519716508 /nfs/dbraw/zinc/71/65/08/519716508.db2.gz LZQUGPRWUMASCB-RBBKRZOGSA-N 0 1 431.502 4.093 50 0 IIAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(C(F)(F)F)c1 ZINC000012556999 519727017 /nfs/dbraw/zinc/72/70/17/519727017.db2.gz ZPNJWLSFYJYXQN-UHFFFAOYSA-N 0 1 437.237 4.227 50 0 IIAAMN CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000022903100 520340435 /nfs/dbraw/zinc/34/04/35/520340435.db2.gz ZAPHPLUJUYBLAM-UHFFFAOYSA-N 0 1 427.400 4.401 50 0 IIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000012226616 520457787 /nfs/dbraw/zinc/45/77/87/520457787.db2.gz FPYHIYCBCNOEIP-UHFFFAOYSA-N 0 1 427.541 4.318 50 0 IIAAMN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000012749954 520463417 /nfs/dbraw/zinc/46/34/17/520463417.db2.gz LCEZHSAFZVIPCZ-NRFANRHFSA-N 0 1 429.536 4.116 50 0 IIAAMN C=C1C(NCCCN(Cc2ccccc2)C(C)C)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465587 520842298 /nfs/dbraw/zinc/84/22/98/520842298.db2.gz ZHEQLAAVKMEGHJ-UHFFFAOYSA-N 0 1 425.598 4.358 50 0 IIAAMN CCN(Cc1ccncc1)C(=O)c1ccccc1OC1CCN(Cc2ccccn2)CC1 ZINC000012303121 521419063 /nfs/dbraw/zinc/41/90/63/521419063.db2.gz KTQIULYOKZPHEQ-UHFFFAOYSA-N 0 1 430.552 4.182 50 0 IIAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(F)cc1)=N2 ZINC000035372701 521584696 /nfs/dbraw/zinc/58/46/96/521584696.db2.gz FAPWAUFTMPROTG-UHFFFAOYSA-N 0 1 442.535 4.350 50 0 IIAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000020677536 521628869 /nfs/dbraw/zinc/62/88/69/521628869.db2.gz KMOVPXRIXRMJSI-UHFFFAOYSA-N 0 1 425.964 4.099 50 0 IIAAMN CCN1CCN(CCOc2ccc3c(c2)oc(C)c(-c2ccc(Cl)cc2)c3=O)CC1 ZINC000020589904 521683646 /nfs/dbraw/zinc/68/36/46/521683646.db2.gz INFFBEDVHAXQAJ-UHFFFAOYSA-N 0 1 426.944 4.438 50 0 IIAAMN CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)C1 ZINC000012218596 522001875 /nfs/dbraw/zinc/00/18/75/522001875.db2.gz KNXROTNCNOFXMR-HXUWFJFHSA-N 0 1 447.535 4.240 50 0 IIAAMN COCCc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cn1 ZINC000012441177 522035727 /nfs/dbraw/zinc/03/57/27/522035727.db2.gz WQHCFAGHENURJQ-DEOSSOPVSA-N 0 1 444.579 4.492 50 0 IIAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F ZINC000020721732 522277632 /nfs/dbraw/zinc/27/76/32/522277632.db2.gz UBWPORIAETWCOG-IBGZPJMESA-N 0 1 428.851 4.168 50 0 IIAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCc3cccnc3)c3ccccc3)n2)cc1 ZINC000012139668 523180023 /nfs/dbraw/zinc/18/00/23/523180023.db2.gz XCKNFUCPAJYCTD-OAQYLSRUSA-N 0 1 445.548 4.415 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(F)cc1)=N2 ZINC000035372724 523786378 /nfs/dbraw/zinc/78/63/78/523786378.db2.gz WYZJEHGDYBFXBK-UHFFFAOYSA-N 0 1 446.498 4.099 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Cl)cc1)=N2 ZINC000035372775 523788666 /nfs/dbraw/zinc/78/86/66/523788666.db2.gz TYIGWLTYMCSOSX-UHFFFAOYSA-N 0 1 444.963 4.474 50 0 IIAAMN CCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@@H+]([C@H](C)c2ccccc2)CC3)cc1 ZINC000020467798 523974646 /nfs/dbraw/zinc/97/46/46/523974646.db2.gz SXRMZFHVKYFOMZ-QGZVFWFLSA-N 0 1 448.592 4.182 50 0 IIAAMN CCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@H+]([C@H](C)c2ccccc2)CC3)cc1 ZINC000020467798 523974648 /nfs/dbraw/zinc/97/46/48/523974648.db2.gz SXRMZFHVKYFOMZ-QGZVFWFLSA-N 0 1 448.592 4.182 50 0 IIAAMN COc1ccc(CNCc2cccn2-c2nnc(N3CCCCCC3)s2)c(OC)c1 ZINC000020576871 524073232 /nfs/dbraw/zinc/07/32/32/524073232.db2.gz BPZDCURQCKMQAS-UHFFFAOYSA-N 0 1 427.574 4.016 50 0 IIAAMN COc1cccc2c([C@H](C(=O)[O-])N3CC[NH+](Cc4cccc5ccccc54)CC3)c[nH]c21 ZINC000020723202 524200678 /nfs/dbraw/zinc/20/06/78/524200678.db2.gz PKKYNODIGWCLRK-RUZDIDTESA-N 0 1 429.520 4.273 50 0 IIAAMN COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000012537772 524557527 /nfs/dbraw/zinc/55/75/27/524557527.db2.gz YIMBZOACTGEHEX-YWEHKCAJSA-N 0 1 446.591 4.293 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SC[C@@H]3CCCCO3)nc2c1 ZINC000022132619 524645905 /nfs/dbraw/zinc/64/59/05/524645905.db2.gz FHJDSUZGKLZGPS-AWEZNQCLSA-N 0 1 434.539 4.298 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCc3cccnc3)nc2c1 ZINC000012526349 524646305 /nfs/dbraw/zinc/64/63/05/524646305.db2.gz XCEQXXGOCASTGS-UHFFFAOYSA-N 0 1 427.507 4.325 50 0 IIAAMN C[C@H](NC(=O)[C@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035869752 525186223 /nfs/dbraw/zinc/18/62/23/525186223.db2.gz DXJUHIVEXNDUNR-IDNYDCHQSA-N 0 1 425.576 4.427 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)N2CCCC2)cc1 ZINC000012635626 525186536 /nfs/dbraw/zinc/18/65/36/525186536.db2.gz FGTHHNJITRHTHG-RUZDIDTESA-N 0 1 449.551 4.446 50 0 IIAAMN C[C@H](NC(=S)Nc1cccc(Br)c1)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000022031406 525275606 /nfs/dbraw/zinc/27/56/06/525275606.db2.gz SVUPCISOJZVYMW-JXFKEZNVSA-N 0 1 447.446 4.113 50 0 IIAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2cccc3c2CCCC3)c(C)n1C ZINC000021154515 525572800 /nfs/dbraw/zinc/57/28/00/525572800.db2.gz FOSQGZCDJXSINE-UHFFFAOYSA-N 0 1 443.613 4.338 50 0 IIAAMN C[C@H](Sc1nc(-c2ccc(Br)cc2)n[nH]1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000012631682 526001215 /nfs/dbraw/zinc/00/12/15/526001215.db2.gz ACJBCNNOYAZRGL-LBPRGKRZSA-N 0 1 446.374 4.420 50 0 IIAAMN COc1cccc(N2C(=O)c3ccccc3/C(=C\NC[C@@H](c3cccs3)N(C)C)C2=O)c1 ZINC000020664578 526141981 /nfs/dbraw/zinc/14/19/81/526141981.db2.gz GUPSYCXHTUQPLE-VAZXNAHHSA-N 0 1 447.560 4.177 50 0 IIAAMN COc1cccc(OC)c1-c1cnnc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000012195715 526214830 /nfs/dbraw/zinc/21/48/30/526214830.db2.gz LTNMWUWGADBMBT-KRWDZBQOSA-N 0 1 436.903 4.427 50 0 IIAAMN Cc1nn2c(nc(-c3ccccc3)cc2N2CCN(CCO)CC2)c1-c1ccc(Cl)cc1 ZINC000012421725 526310153 /nfs/dbraw/zinc/31/01/53/526310153.db2.gz AABXBSJGAAZODL-UHFFFAOYSA-N 0 1 447.970 4.139 50 0 IIAAMN O=C(c1cc(C2CC2)on1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012467949 526602810 /nfs/dbraw/zinc/60/28/10/526602810.db2.gz ZCPWJGMZOXQEKA-OAQYLSRUSA-N 0 1 441.547 4.225 50 0 IIAAMN O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCOc2ccccc2C1 ZINC000012434745 526708394 /nfs/dbraw/zinc/70/83/94/526708394.db2.gz XEPJUOHEFHOSPB-UHFFFAOYSA-N 0 1 443.547 4.160 50 0 IIAAMN Clc1ccc(-c2csc3ncnc(NC[C@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1 ZINC000012859304 526934887 /nfs/dbraw/zinc/93/48/87/526934887.db2.gz USBPIGJHSVFZRS-VQIMIIECSA-N 0 1 444.988 4.161 50 0 IIAAMN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000012579029 527283601 /nfs/dbraw/zinc/28/36/01/527283601.db2.gz FITGARLEXVDIMR-UHFFFAOYSA-N 0 1 440.551 4.087 50 0 IIAAMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012548432 527530874 /nfs/dbraw/zinc/53/08/74/527530874.db2.gz ODYFHRCHCNFAGZ-UHFFFAOYSA-N 0 1 448.879 4.439 50 0 IIAAMN FC(F)(F)c1nnc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nn21 ZINC000012376016 527691702 /nfs/dbraw/zinc/69/17/02/527691702.db2.gz UBXRLUWHHGXCOU-UHFFFAOYSA-N 0 1 438.457 4.055 50 0 IIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)n1 ZINC000000682214 555538020 /nfs/dbraw/zinc/53/80/20/555538020.db2.gz PCYQQCVCZBCZPN-UHFFFAOYSA-N 0 1 432.505 4.300 50 0 IIAAMN CCN(CC)CC(=O)Nc1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000000856187 555571062 /nfs/dbraw/zinc/57/10/62/555571062.db2.gz IDLSUCMFSLRXEC-UHFFFAOYSA-N 0 1 428.330 4.238 50 0 IIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1 ZINC000000898286 555580584 /nfs/dbraw/zinc/58/05/84/555580584.db2.gz MYEHWOBSUYUCGU-UHFFFAOYSA-N 0 1 437.308 4.145 50 0 IIAAMN COc1ccc(OC)c(-c2[nH]nc(C3CCOCC3)c2NC(=O)c2cccc(F)c2)c1 ZINC000034794171 555917163 /nfs/dbraw/zinc/91/71/63/555917163.db2.gz ZJDJHDFKXYBDEJ-UHFFFAOYSA-N 0 1 425.460 4.379 50 0 IIAAMN Cc1ccc(CNC(=O)CCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000002973748 556152509 /nfs/dbraw/zinc/15/25/09/556152509.db2.gz YRACBYMHWLWKAB-UHFFFAOYSA-N 0 1 446.370 4.227 50 0 IIAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000008595833 556190554 /nfs/dbraw/zinc/19/05/54/556190554.db2.gz LMKYKMDTSRVCDM-QFIPXVFZSA-N 0 1 429.432 4.302 50 0 aggregator IIAAMN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc(OC)c1Br ZINC000032761947 556331610 /nfs/dbraw/zinc/33/16/10/556331610.db2.gz MPRRANYJGDKVTB-CQSZACIVSA-N 0 1 439.375 4.095 50 0 IIAAMN CC(C)Cc1cc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)n[nH]1 ZINC000011819018 556361099 /nfs/dbraw/zinc/36/10/99/556361099.db2.gz KKYDDHTYRTXRNZ-SFHVURJKSA-N 0 1 429.008 4.322 50 0 IIAAMN Cc1cccnc1C[C@H](C)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000011843845 556367049 /nfs/dbraw/zinc/36/70/49/556367049.db2.gz HIGLNQAHUCCQIM-NRFANRHFSA-N 0 1 444.579 4.189 50 0 IIAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000011934741 556378002 /nfs/dbraw/zinc/37/80/02/556378002.db2.gz MDIXUDJWURYUAR-UHFFFAOYSA-N 0 1 427.541 4.100 50 0 IIAAMN OC[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012053062 556393149 /nfs/dbraw/zinc/39/31/49/556393149.db2.gz GOGYDIJEXXDSLB-XMMPIXPASA-N 0 1 425.479 4.364 50 0 IIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000012072445 556396054 /nfs/dbraw/zinc/39/60/54/556396054.db2.gz KYPAMKKPWGLZRZ-UHFFFAOYSA-N 0 1 427.541 4.318 50 0 IIAAMN CCC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238431 556400237 /nfs/dbraw/zinc/40/02/37/556400237.db2.gz JEAIKYLDUVSQGX-RBBKRZOGSA-N 0 1 425.525 4.017 50 0 IIAAMN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C(F)(F)F)cc3)N(C)C)no2)cc1 ZINC000032622927 556410261 /nfs/dbraw/zinc/41/02/61/556410261.db2.gz RFNPXXVGFGYPJD-LJQANCHMSA-N 0 1 433.430 4.402 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)N(C)C)cc1OC ZINC000013096457 556457021 /nfs/dbraw/zinc/45/70/21/556457021.db2.gz RBJAQSWSZYSGBQ-HXUWFJFHSA-N 0 1 432.520 4.361 50 0 IIAAMN O=c1c2c3c(sc2ncn1Cc1cc2ccccc2s1)C[C@@H](NCc1ccon1)CC3 ZINC000014996403 556477980 /nfs/dbraw/zinc/47/79/80/556477980.db2.gz OWSBNUNIPHEVQC-HNNXBMFYSA-N 0 1 448.573 4.356 50 0 IIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccn2-c2ccccn2)CC1 ZINC000015072600 556497025 /nfs/dbraw/zinc/49/70/25/556497025.db2.gz TYNBBHXDINKZOB-UHFFFAOYSA-N 0 1 433.552 4.487 50 0 IIAAMN CCOC(=O)[C@@](NC(=O)c1ccccc1F)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000003103272 556522896 /nfs/dbraw/zinc/52/28/96/556522896.db2.gz YNGBNWOBNZMPGJ-GOSISDBHSA-N 0 1 441.406 4.099 50 0 IIAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)cc1N1CCCC1=O)N1CCCC1 ZINC000032902423 556536181 /nfs/dbraw/zinc/53/61/81/556536181.db2.gz WQDNEHHASUEPEX-OAQYLSRUSA-N 0 1 441.959 4.042 50 0 IIAAMN CN(Cc1c(F)cccc1Cl)C(=O)c1[nH]nc2ccc(I)cc21 ZINC000072302691 556547247 /nfs/dbraw/zinc/54/72/47/556547247.db2.gz GRWUPXWMSRCUAS-UHFFFAOYSA-N 0 1 443.647 4.232 50 0 IIAAMN O=C(c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1)N1CCCC1 ZINC000032906756 556553875 /nfs/dbraw/zinc/55/38/75/556553875.db2.gz BTJBRJWDTVGSJZ-UHFFFAOYSA-N 0 1 443.750 4.139 50 0 IIAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cnn2cccnc12 ZINC000032908849 556566082 /nfs/dbraw/zinc/56/60/82/556566082.db2.gz CLAJDQOBGIJEBL-GOSISDBHSA-N 0 1 436.397 4.144 50 0 IIAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 ZINC000015947171 556568057 /nfs/dbraw/zinc/56/80/57/556568057.db2.gz YRSHDPJYNKEGEX-LJQANCHMSA-N 0 1 439.562 4.261 50 0 IIAAMN CCN1CCN(c2c(CN(Cc3ccco3)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836380 556583076 /nfs/dbraw/zinc/58/30/76/556583076.db2.gz AQLHUEJPMYSPSX-UHFFFAOYSA-N 0 1 439.579 4.465 50 0 IIAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c1 ZINC000016115910 556584195 /nfs/dbraw/zinc/58/41/95/556584195.db2.gz IZQUDOXOXOQEBQ-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCOC)cc1 ZINC000011916379 556673345 /nfs/dbraw/zinc/67/33/45/556673345.db2.gz VFSRMRQGLABDAE-DEOSSOPVSA-N 0 1 435.524 4.461 50 0 IIAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100799127 556675434 /nfs/dbraw/zinc/67/54/34/556675434.db2.gz OJWSVBCPLATMAB-BDTNDASRSA-N 0 1 434.879 4.400 50 0 IIAAMN COC(=O)c1cc(-c2ccc(/C=C3\C(=O)NN(c4ccc(C)cc4)C3=O)o2)ccc1Cl ZINC000000647549 556680124 /nfs/dbraw/zinc/68/01/24/556680124.db2.gz BHVYVPKZWPLXFB-LDADJPATSA-N 0 1 436.851 4.156 50 0 IIAAMN C[C@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000060344460 556714607 /nfs/dbraw/zinc/71/46/07/556714607.db2.gz CFYYNWZFSAPPHB-HNNXBMFYSA-N 0 1 439.453 4.010 50 0 IIAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3ccc(F)c(F)c3)C2)CC1 ZINC000055089459 556733902 /nfs/dbraw/zinc/73/39/02/556733902.db2.gz BYHFTQHGXYDQSF-OAQYLSRUSA-N 0 1 427.539 4.019 50 0 IIAAMN Cc1cc(C)c(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[nH]1 ZINC000055254017 556739013 /nfs/dbraw/zinc/73/90/13/556739013.db2.gz SUPRIRAIXCXYRE-FQEVSTJZSA-N 0 1 434.506 4.077 50 0 IIAAMN COCCN(C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1cccc(Cl)c1 ZINC000055325415 556740074 /nfs/dbraw/zinc/74/00/74/556740074.db2.gz LHHPWMIIXPVOJA-UHFFFAOYSA-N 0 1 447.944 4.067 50 0 IIAAMN CC(=O)c1c(C)cc(C)c(CN2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1C ZINC000058379614 556784389 /nfs/dbraw/zinc/78/43/89/556784389.db2.gz CXEYPIDSWDKHRE-QFIPXVFZSA-N 0 1 442.625 4.313 50 0 IIAAMN COc1cc(/C=C\C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000096402525 556807780 /nfs/dbraw/zinc/80/77/80/556807780.db2.gz CBIYPQFYMATGAN-SEYXRHQNSA-N 0 1 438.505 4.157 50 0 IIAAMN COc1cccc(-c2cc(C(=O)N3CCC[C@H](c4nnc(-c5ccsc5)o4)C3)n[nH]2)c1 ZINC000206635766 556822995 /nfs/dbraw/zinc/82/29/95/556822995.db2.gz DYIKDEWWRAMFEQ-HNNXBMFYSA-N 0 1 435.509 4.217 50 0 IIAAMN Cc1ccc2nc(N3CCC[C@H](C(=O)NCc4cccc(Br)c4)C3)[nH]c2c1 ZINC000033072222 556851878 /nfs/dbraw/zinc/85/18/78/556851878.db2.gz PAGXADYPOIFJDX-INIZCTEOSA-N 0 1 427.346 4.167 50 0 IIAAMN O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000033078818 556853997 /nfs/dbraw/zinc/85/39/97/556853997.db2.gz OCQWQQSITLUNFE-UHFFFAOYSA-N 0 1 433.483 4.098 50 0 IIAAMN COc1cccc(NC(=O)Cn2cc(-c3nnc(CN4CCCCC4)o3)c3ccccc32)c1 ZINC000033129330 556868382 /nfs/dbraw/zinc/86/83/82/556868382.db2.gz RDQWYBISOJBPSK-UHFFFAOYSA-N 0 1 445.523 4.325 50 0 IIAAMN COc1ccc(CN2CCN(Cc3c[nH]nc3-c3cc(C)ccc3C)C[C@@H]2CCO)cc1C ZINC000019788086 556914054 /nfs/dbraw/zinc/91/40/54/556914054.db2.gz ZRLBYEBJYLBWIF-DEOSSOPVSA-N 0 1 448.611 4.079 50 0 IIAAMN Cc1nn(-c2ccc(F)cc2)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057653 557029177 /nfs/dbraw/zinc/02/91/77/557029177.db2.gz NGSQCWPIBNPZHB-INIZCTEOSA-N 0 1 428.261 4.391 50 0 IIAAMN O=C(CCN1CCN(Cc2cn3ccccc3n2)CC1)Nc1ccccc1-c1ccccc1 ZINC000022921921 557047747 /nfs/dbraw/zinc/04/77/47/557047747.db2.gz MZNILMXRISEFSR-UHFFFAOYSA-N 0 1 439.563 4.148 50 0 IIAAMN O[C@H](COc1ccc(Cl)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022925044 557048055 /nfs/dbraw/zinc/04/80/55/557048055.db2.gz VQHAOQQISZFQJS-DEOSSOPVSA-N 0 1 436.983 4.487 50 0 IIAAMN Cc1ccc(-n2c3nc(SCC(=O)N4CCC(C)CC4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948598 557056785 /nfs/dbraw/zinc/05/67/85/557056785.db2.gz FSQKXXVUWDOYQH-UHFFFAOYSA-N 0 1 446.623 4.164 50 0 IIAAMN CC(C)C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000023144780 557067932 /nfs/dbraw/zinc/06/79/32/557067932.db2.gz LFQUPXCXQWLTSP-MRXNPFEDSA-N 0 1 441.963 4.083 50 0 IIAAMN O=S(=O)(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1ccccc1F ZINC000033308205 557087758 /nfs/dbraw/zinc/08/77/58/557087758.db2.gz ZWQPBJKDIQEPBU-UHFFFAOYSA-N 0 1 425.441 4.256 50 0 IIAAMN Nc1ccc(S(=O)(=O)Nc2nccc(-c3cnc(-c4ccc(Cl)cc4)s3)n2)cc1 ZINC000043783165 557100900 /nfs/dbraw/zinc/10/09/00/557100900.db2.gz PLQGDCRHTNDQRA-UHFFFAOYSA-N 0 1 443.941 4.304 50 0 IIAAMN Cc1ccc(Cl)c(N2CC[NH+](CCCn3c(=O)c4ccccc4[n-]c3=S)CC2)c1 ZINC000016399640 557150416 /nfs/dbraw/zinc/15/04/16/557150416.db2.gz HHOPAWPXPCOELF-UHFFFAOYSA-N 0 1 428.989 4.233 50 0 IIAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000100841092 557191103 /nfs/dbraw/zinc/19/11/03/557191103.db2.gz YZCWRZXLAXRNDP-SMIHKQSGSA-N 0 1 444.487 4.063 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000100841092 557191111 /nfs/dbraw/zinc/19/11/11/557191111.db2.gz YZCWRZXLAXRNDP-SMIHKQSGSA-N 0 1 444.487 4.063 50 0 IIAAMN CCN1CCN(c2ccccc2NC(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)CC1 ZINC000025726616 557223645 /nfs/dbraw/zinc/22/36/45/557223645.db2.gz VFTCIXIJKXHDIN-UHFFFAOYSA-N 0 1 448.615 4.342 50 0 IIAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101099323 557255423 /nfs/dbraw/zinc/25/54/23/557255423.db2.gz DGJULFFNUSNKAN-VXNXHJTFSA-N 0 1 444.487 4.150 50 0 IIAAMN Cc1ccc(S(=O)(=O)C2(C(=O)NCCCN(C)Cc3ccccc3)CCCC2)cc1C ZINC000032765991 557315592 /nfs/dbraw/zinc/31/55/92/557315592.db2.gz ZKEXJCIJHPLQPS-UHFFFAOYSA-N 0 1 442.625 4.028 50 0 IIAAMN CN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1 ZINC000014254058 557330751 /nfs/dbraw/zinc/33/07/51/557330751.db2.gz ZKBHCZJSDBXKRW-UHFFFAOYSA-N 0 1 432.368 4.123 50 0 IIAAMN CC(C)n1nccc1NC(=O)[C@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023468048 557361491 /nfs/dbraw/zinc/36/14/91/557361491.db2.gz UPZLVSFFGZDKCL-NRFANRHFSA-N 0 1 431.584 4.198 50 0 IIAAMN COCCCNC(=O)CSc1nc(-c2cccc(OC)c2)[nH]c1-c1ccc(C)cc1 ZINC000004927867 557409023 /nfs/dbraw/zinc/40/90/23/557409023.db2.gz CHARNSQFYDZQFT-UHFFFAOYSA-N 0 1 425.554 4.306 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984492 568622891 /nfs/dbraw/zinc/62/28/91/568622891.db2.gz VDEXVGMLLYYPSC-FCHUYYIVSA-N 0 1 434.939 4.260 50 0 IIAAMN Cc1cccc(NC(=O)NC(=O)CNC2(c3ccc(Br)cc3)CCC2)c1C ZINC000048332940 568625670 /nfs/dbraw/zinc/62/56/70/568625670.db2.gz YBVDTUYMHNQRLC-UHFFFAOYSA-N 0 1 430.346 4.383 50 0 IIAAMN COc1ccc(Oc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc2OC)cc1 ZINC000025146966 568641181 /nfs/dbraw/zinc/64/11/81/568641181.db2.gz ZXJJWYCZKZGPBQ-UHFFFAOYSA-N 0 1 445.493 4.314 50 0 IIAAMN CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1 ZINC000299757650 568755411 /nfs/dbraw/zinc/75/54/11/568755411.db2.gz IFBVZDVGCNIVOP-YADHBBJMSA-N 0 1 425.529 4.208 50 0 IIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccncc2)cc1OC ZINC000263586328 568759458 /nfs/dbraw/zinc/75/94/58/568759458.db2.gz SQUPEJGTRNFCLU-OAHLLOKOSA-N 0 1 445.427 4.019 50 0 biogenic IIAAMN Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc3nc[nH]c3c2)c2ccccc21 ZINC000263587046 568760245 /nfs/dbraw/zinc/76/02/45/568760245.db2.gz BKUXWMYYQBGWQG-FQEVSTJZSA-N 0 1 433.512 4.129 50 0 IIAAMN COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)[nH+]c(C)c2)ccc1C ZINC000084190133 568795998 /nfs/dbraw/zinc/79/59/98/568795998.db2.gz PRKXWTRKEJCLSU-UHFFFAOYSA-N 0 1 425.510 4.069 50 0 IIAAMN COc1ccc(-c2cc3nc(C)cc(N4CCN(Cc5ccccc5)CC4)n3n2)cc1OC ZINC000015670885 568802386 /nfs/dbraw/zinc/80/23/86/568802386.db2.gz LRSXRAFFIWCKQO-UHFFFAOYSA-N 0 1 443.551 4.044 50 0 IIAAMN CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000085664814 568833820 /nfs/dbraw/zinc/83/38/20/568833820.db2.gz MEBDANZBUCONPY-UHFFFAOYSA-N 0 1 431.461 4.034 50 0 IIAAMN O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000524729397 568903799 /nfs/dbraw/zinc/90/37/99/568903799.db2.gz RPEMQGXRPSNPLZ-OAHLLOKOSA-N 0 1 428.396 4.335 50 0 biogenic IIAAMN COc1ccc(Br)cc1CN(C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000241965576 568912599 /nfs/dbraw/zinc/91/25/99/568912599.db2.gz UTYSQDNUTFAYOB-KNQAVFIVSA-N 0 1 434.374 4.345 50 0 IIAAMN CCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000035836785 568928160 /nfs/dbraw/zinc/92/81/60/568928160.db2.gz OWLLHOGFXSTTGV-NDENLUEZSA-N 0 1 436.899 4.195 50 0 IIAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)c1 ZINC000036098481 568951810 /nfs/dbraw/zinc/95/18/10/568951810.db2.gz CCXGFHGTUIZCBT-QFIPXVFZSA-N 0 1 435.520 4.174 50 0 IIAAMN CC(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146316 568962029 /nfs/dbraw/zinc/96/20/29/568962029.db2.gz CXXQPONNTZEJHG-YADHBBJMSA-N 0 1 434.939 4.260 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CCCCC1 ZINC000036161372 568967316 /nfs/dbraw/zinc/96/73/16/568967316.db2.gz CTGVYPRVVMKBHQ-AEFFLSMTSA-N 0 1 447.645 4.030 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC ZINC000036303950 568994354 /nfs/dbraw/zinc/99/43/54/568994354.db2.gz FERBTCJAUCCKRH-OAQYLSRUSA-N 0 1 439.556 4.201 50 0 IIAAMN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000065060284 569095816 /nfs/dbraw/zinc/09/58/16/569095816.db2.gz APLVWXJVXMWUAJ-UHFFFAOYSA-N 0 1 432.523 4.089 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000065116005 569107031 /nfs/dbraw/zinc/10/70/31/569107031.db2.gz CSALEIMFIGGYOG-UHFFFAOYSA-N 0 1 447.538 4.140 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000065116180 569107125 /nfs/dbraw/zinc/10/71/25/569107125.db2.gz QCYDUFDPMYRUBP-UHFFFAOYSA-N 0 1 443.525 4.289 50 0 IIAAMN CC(C)CN1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)CC1 ZINC000065241450 569120944 /nfs/dbraw/zinc/12/09/44/569120944.db2.gz HLRFGIJROMHJED-UHFFFAOYSA-N 0 1 438.597 4.015 50 0 IIAAMN CN(C(=O)OC(C)(C)C)[C@@]1(c2ccccc2Cl)CCCC[C@H]1NCc1nncn1C ZINC000170606815 569144640 /nfs/dbraw/zinc/14/46/40/569144640.db2.gz CBIBEWORTBLNID-XMSQKQJNSA-N 0 1 433.984 4.263 50 0 IIAAMN CN1CCC(N(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2Cl)CC1 ZINC000170617400 569147273 /nfs/dbraw/zinc/14/72/73/569147273.db2.gz FJVQAGHRXSIDPK-UHFFFAOYSA-N 0 1 443.794 4.392 50 0 IIAAMN C[C@@H](NC(=O)Cc1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000016891183 569165745 /nfs/dbraw/zinc/16/57/45/569165745.db2.gz RXNBHGVAWGBWGV-KBMIEXCESA-N 0 1 437.584 4.498 50 0 IIAAMN COc1ccc(OC)c(CN2CCC(c3nc(C)ccc3C(=O)N3CCCCC3)CC2)c1 ZINC000037554732 569200492 /nfs/dbraw/zinc/20/04/92/569200492.db2.gz GHGLPOBKSAKVOR-UHFFFAOYSA-N 0 1 437.584 4.413 50 0 IIAAMN Cc1cccc(CCNC(=S)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)c1 ZINC000020153882 569353546 /nfs/dbraw/zinc/35/35/46/569353546.db2.gz QFPOFPYWYCXXPO-UHFFFAOYSA-N 0 1 433.625 4.133 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@@H]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000020331415 569360943 /nfs/dbraw/zinc/36/09/43/569360943.db2.gz KDTGZBQKCQLEIE-WMLDXEAASA-N 0 1 442.585 4.414 50 0 IIAAMN O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000020355778 569361433 /nfs/dbraw/zinc/36/14/33/569361433.db2.gz SXROLFNGFITRGY-UHFFFAOYSA-N 0 1 447.604 4.245 50 0 IIAAMN O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000095454963 569368565 /nfs/dbraw/zinc/36/85/65/569368565.db2.gz HPACXWBHKVDFCG-QGZVFWFLSA-N 0 1 449.515 4.422 50 0 IIAAMN O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000095454963 569368566 /nfs/dbraw/zinc/36/85/66/569368566.db2.gz HPACXWBHKVDFCG-QGZVFWFLSA-N 0 1 449.515 4.422 50 0 IIAAMN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000095462005 569370047 /nfs/dbraw/zinc/37/00/47/569370047.db2.gz WODLZSPZRRNANC-UHFFFAOYSA-N 0 1 444.641 4.036 50 0 IIAAMN COc1cccc([C@H](O)CNC(=O)[C@H]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000095465226 569370669 /nfs/dbraw/zinc/37/06/69/569370669.db2.gz HZAGFLZZQOKFIY-BBTUJRGHSA-N 0 1 427.932 4.349 50 0 IIAAMN COc1ccc(Br)cc1/C=C\C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000096402988 569400537 /nfs/dbraw/zinc/40/05/37/569400537.db2.gz MYHODZKYHLJXFC-IEODJVTJSA-N 0 1 433.346 4.407 50 0 IIAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccsc2)CC(=O)O4)cc1O ZINC000217670187 569451194 /nfs/dbraw/zinc/45/11/94/569451194.db2.gz HHLNLDQUCMUJNT-ZDUSSCGKSA-N 0 1 436.441 4.382 50 0 biogenic IIAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2)ccc1C ZINC000003495734 569452684 /nfs/dbraw/zinc/45/26/84/569452684.db2.gz CKXSGDGPISKOPX-UHFFFAOYSA-N 0 1 444.940 4.388 50 0 IIAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cc(Cl)cc(Cl)c1 ZINC000031812651 569457866 /nfs/dbraw/zinc/45/78/66/569457866.db2.gz IJXIUSLHEAXFLW-CQSZACIVSA-N 0 1 436.686 4.427 50 0 IIAAMN CN(C)[C@@H](CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccs1 ZINC000040099031 569487560 /nfs/dbraw/zinc/48/75/60/569487560.db2.gz VWZCMQWNHFYFAY-KRWDZBQOSA-N 0 1 442.507 4.028 50 0 IIAAMN CN(C)[C@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccs1 ZINC000040121659 569489583 /nfs/dbraw/zinc/48/95/83/569489583.db2.gz CZCWXVCSZTYKOU-QGZVFWFLSA-N 0 1 442.507 4.028 50 0 IIAAMN Cc1nc2ccccc2n1CCN1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000040151487 569493307 /nfs/dbraw/zinc/49/33/07/569493307.db2.gz BMMBIHGNFMQEIS-IBGZPJMESA-N 0 1 430.556 4.082 50 0 IIAAMN O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000009116158 569502928 /nfs/dbraw/zinc/50/29/28/569502928.db2.gz ALWQGHXGDOKPFQ-UHFFFAOYSA-N 0 1 443.838 4.148 50 0 IIAAMN CCC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245327978 569503838 /nfs/dbraw/zinc/50/38/38/569503838.db2.gz MHHOBLVUYIZPRQ-RBBKRZOGSA-N 0 1 444.641 4.353 50 0 IIAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000009123820 569504221 /nfs/dbraw/zinc/50/42/21/569504221.db2.gz QHHOHSIWHLRUBO-RUZDIDTESA-N 0 1 441.487 4.284 50 0 IIAAMN CCCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc1 ZINC000009409295 569530980 /nfs/dbraw/zinc/53/09/80/569530980.db2.gz SYCCGLVRBPBTFZ-XMMPIXPASA-N 0 1 435.524 4.279 50 0 IIAAMN COc1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000009544298 569545986 /nfs/dbraw/zinc/54/59/86/569545986.db2.gz WAAUNVPAILTTAZ-UHFFFAOYSA-N 0 1 436.942 4.392 50 0 IIAAMN CCOC(=O)[C@H](C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1nc(C)cs1 ZINC000009585579 569549574 /nfs/dbraw/zinc/54/95/74/569549574.db2.gz LQVRXKDNWFLURU-HXUWFJFHSA-N 0 1 438.505 4.268 50 0 IIAAMN CCOC(=O)C(C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1nc(C)cs1 ZINC000009585579 569549575 /nfs/dbraw/zinc/54/95/75/569549575.db2.gz LQVRXKDNWFLURU-HXUWFJFHSA-N 0 1 438.505 4.268 50 0 IIAAMN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000009620148 569553397 /nfs/dbraw/zinc/55/33/97/569553397.db2.gz BDWFHSQRYMLDMD-UHFFFAOYSA-N 0 1 440.554 4.114 50 0 IIAAMN CCOc1ccc2nc(SCc3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)[nH]c2c1 ZINC000009666363 569557680 /nfs/dbraw/zinc/55/76/80/569557680.db2.gz MQYOMSHDEBYBKE-UHFFFAOYSA-N 0 1 442.497 4.330 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000009670720 569558396 /nfs/dbraw/zinc/55/83/96/569558396.db2.gz BWKYUMYGDGZEAH-MJGOQNOKSA-N 0 1 428.554 4.148 50 0 IIAAMN CCN1CCN(c2ccccc2NC(=O)c2cccc(OCc3c(C)noc3C)c2)CC1 ZINC000009672495 132325202 /nfs/dbraw/zinc/32/52/02/132325202.db2.gz MQWBPHMIQZJXRV-UHFFFAOYSA-N 0 1 434.540 4.265 50 0 IIAAMN Cc1ccc2cc3cc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)oc3nc2c1 ZINC000009677603 132325555 /nfs/dbraw/zinc/32/55/55/132325555.db2.gz QPCQVNVTJWWZKP-UHFFFAOYSA-N 0 1 446.526 4.371 50 0 IIAAMN Cc1cccc(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)c1C ZINC000009727109 132327802 /nfs/dbraw/zinc/32/78/02/132327802.db2.gz SJKRYMIYJOVDQR-UHFFFAOYSA-N 0 1 439.357 4.418 50 0 IIAAMN CN1CCN(c2ccccc2NC(=O)COc2ccc(OCc3ccccc3)cc2)CC1 ZINC000009729014 132328003 /nfs/dbraw/zinc/32/80/03/132328003.db2.gz VYESFWRAOYDDNX-UHFFFAOYSA-N 0 1 431.536 4.035 50 0 IIAAMN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000013896820 132355438 /nfs/dbraw/zinc/35/54/38/132355438.db2.gz PQSAIHMGCJHUEM-UHFFFAOYSA-N 0 1 442.003 4.300 50 0 IIAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cccc(OC)c2OC)CC1 ZINC000012478113 520464261 /nfs/dbraw/zinc/46/42/61/520464261.db2.gz NZZYIRXZGXNWJR-UHFFFAOYSA-N 0 1 427.541 4.100 50 0 IIAAMN CCOc1ccc(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)cc1 ZINC000012459120 520970411 /nfs/dbraw/zinc/97/04/11/520970411.db2.gz AXGAAVSWUHMFHU-UHFFFAOYSA-N 0 1 446.975 4.158 50 0 IIAAMN CCOc1ccccc1NC(=O)c1cncc(NS(=O)(=O)c2ccc(C)cc2C)c1 ZINC000021931945 521552771 /nfs/dbraw/zinc/55/27/71/521552771.db2.gz FLCWSLBDARABBR-UHFFFAOYSA-N 0 1 425.510 4.150 50 0 IIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4C[C@H](C)C[C@@H](C)C4)ccc3n2)CC1 ZINC000020153571 521696454 /nfs/dbraw/zinc/69/64/54/521696454.db2.gz QVHZVCDVVJVJRX-QZTJIDSGSA-N 0 1 425.646 4.360 50 0 IIAAMN CCN1CCN(c2nc3ccc(OC(=O)c4ccccc4Br)cc3s2)CC1 ZINC000012488716 521700863 /nfs/dbraw/zinc/70/08/63/521700863.db2.gz CGXITILXQDYNHD-UHFFFAOYSA-N 0 1 446.370 4.420 50 0 IIAAMN CC[C@@H](C)NC(=O)c1cnc(-c2ccc(C)cc2)nc1N1CCN(Cc2ccccc2)CC1 ZINC000035988866 522222338 /nfs/dbraw/zinc/22/23/38/522222338.db2.gz VFBUZZJXEPCWGH-OAQYLSRUSA-N 0 1 443.595 4.303 50 0 IIAAMN COc1cc(CN2CCC3(C[C@@H]3C(=O)NCCC3=CCCCC3)CC2)cc2c1OCO2 ZINC000012167148 522372342 /nfs/dbraw/zinc/37/23/42/522372342.db2.gz BVQOZWCYWLFITE-HXUWFJFHSA-N 0 1 426.557 4.033 50 0 IIAAMN CCc1nc2sc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)c(C)c2c(C)n1 ZINC000012909083 522534643 /nfs/dbraw/zinc/53/46/43/522534643.db2.gz FQYSZQFDXXTZJS-IBGZPJMESA-N 0 1 438.597 4.446 50 0 IIAAMN CN(CCC1CCOCC1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012448643 522714528 /nfs/dbraw/zinc/71/45/28/522714528.db2.gz ATGHTLQKTGNOKI-UHFFFAOYSA-N 0 1 437.584 4.014 50 0 IIAAMN CCn1c(C)cc(O)c([C@H](c2ccc(C)cc2)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697232 523139427 /nfs/dbraw/zinc/13/94/27/523139427.db2.gz AFTKRMJXCYOAMI-VWLOTQADSA-N 0 1 435.543 4.241 50 0 IIAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1cc(COc2cccc3cccnc32)on1 ZINC000012302346 523542153 /nfs/dbraw/zinc/54/21/53/523542153.db2.gz INFNPXPDHLHYCE-UHFFFAOYSA-N 0 1 431.496 4.066 50 0 IIAAMN COc1ccc(C(=O)NC2CC2)c(OC2CCN(Cc3cccc(SC)c3)CC2)c1 ZINC000012094487 523683174 /nfs/dbraw/zinc/68/31/74/523683174.db2.gz RJDFBWHZPLJTIA-UHFFFAOYSA-N 0 1 426.582 4.353 50 0 IIAAMN Cc1ccc(CN2CCN(c3ccc(NC(=O)C(C)C)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036001672 524462003 /nfs/dbraw/zinc/46/20/03/524462003.db2.gz CZYSSUJLCOSUNY-UHFFFAOYSA-N 0 1 448.611 4.148 50 0 IIAAMN COc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000012521425 524475845 /nfs/dbraw/zinc/47/58/45/524475845.db2.gz DABVPEGCWOQHTH-UHFFFAOYSA-N 0 1 441.347 4.243 50 0 IIAAMN COc1ccccc1N1CCN(C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000012537777 524556204 /nfs/dbraw/zinc/55/62/04/524556204.db2.gz YIMBZOACTGEHEX-RBJSKKJNSA-N 0 1 446.591 4.293 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000012521190 524646052 /nfs/dbraw/zinc/64/60/52/524646052.db2.gz BAZWCVSLIWJDIG-UHFFFAOYSA-N 0 1 432.885 4.107 50 0 IIAAMN COc1ccccc1[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Br)cc1)N1CCCC1 ZINC000012906002 524734793 /nfs/dbraw/zinc/73/47/93/524734793.db2.gz YKXUMMJOPRMUNO-OXQOHEQNSA-N 0 1 447.373 4.178 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N(C)C)cc1OC ZINC000021807569 525356313 /nfs/dbraw/zinc/35/63/13/525356313.db2.gz KKUZFMKCJJPLBR-QFIPXVFZSA-N 0 1 449.551 4.270 50 0 IIAAMN Cc1cccn2c(CN(C)CC[C@H]3CCCCO3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012301786 525464063 /nfs/dbraw/zinc/46/40/63/525464063.db2.gz HXCKZJUIVQHBCB-HSZRJFAPSA-N 0 1 448.611 4.348 50 0 IIAAMN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000035378713 526466417 /nfs/dbraw/zinc/46/64/17/526466417.db2.gz ZMHCFOFSMGHHOK-UHFFFAOYSA-N 0 1 439.581 4.210 50 0 IIAAMN c1ccc(Cn2c(SC[C@@H]3CCCO3)nnc2C2CCN(Cc3cccnc3)CC2)cc1 ZINC000012513731 526480237 /nfs/dbraw/zinc/48/02/37/526480237.db2.gz JZCKYKUPPVMPAK-QHCPKHFHSA-N 0 1 449.624 4.372 50 0 IIAAMN Cc1nc(C)c(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)nc1C ZINC000023399657 526715602 /nfs/dbraw/zinc/71/56/02/526715602.db2.gz TWBNWGXOPCMQSR-UHFFFAOYSA-N 0 1 431.540 4.440 50 0 IIAAMN O=C(NCc1ccccc1F)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035870690 526750903 /nfs/dbraw/zinc/75/09/03/526750903.db2.gz RMMDZNHRORDELP-ZEQKJWHPSA-N 0 1 447.529 4.144 50 0 IIAAMN O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000020915904 526752273 /nfs/dbraw/zinc/75/22/73/526752273.db2.gz CNYICNUXUQXVIC-SFHVURJKSA-N 0 1 431.458 4.330 50 0 IIAAMN Cc1sc2nc(-c3cccs3)nc(NC[C@@H]([C@@H]3CCOC3)N3CCOCC3)c2c1C ZINC000012751594 526887429 /nfs/dbraw/zinc/88/74/29/526887429.db2.gz RLXZYMHTBUCXIO-SJORKVTESA-N 0 1 444.626 4.186 50 0 IIAAMN O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccc(F)cc1Cl ZINC000012853312 527248217 /nfs/dbraw/zinc/24/82/17/527248217.db2.gz NKLVADCTTOWNRM-UHFFFAOYSA-N 0 1 438.887 4.404 50 0 IIAAMN O=C(Cc1cccs1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012594249 527299712 /nfs/dbraw/zinc/29/97/12/527299712.db2.gz VQRJVXCUPBSDRZ-OAQYLSRUSA-N 0 1 430.589 4.350 50 0 IIAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000021018295 527608765 /nfs/dbraw/zinc/60/87/65/527608765.db2.gz XWJFHTRYDPNUEQ-UHFFFAOYSA-N 0 1 434.971 4.471 50 0 IIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000000625056 555512424 /nfs/dbraw/zinc/51/24/24/555512424.db2.gz RGABXPIYGPJBDY-UHFFFAOYSA-N 0 1 438.553 4.444 50 0 IIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n1 ZINC000001003790 555600749 /nfs/dbraw/zinc/60/07/49/555600749.db2.gz FZKWHLXBPNOEBF-UHFFFAOYSA-N 0 1 431.905 4.192 50 0 IIAAMN C[C@H](C(=O)NCc1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034684527 555820250 /nfs/dbraw/zinc/82/02/50/555820250.db2.gz ZXBBEKBKPCHEAP-OAQYLSRUSA-N 0 1 431.555 4.238 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)CC(C)(C)C ZINC000034831257 555912310 /nfs/dbraw/zinc/91/23/10/555912310.db2.gz GQSCIMXQVRCRIM-UHFFFAOYSA-N 0 1 443.611 4.246 50 0 IIAAMN Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)NCCN2CCCCC2)cc1 ZINC000034922111 555932701 /nfs/dbraw/zinc/93/27/01/555932701.db2.gz NOAYYTVFLJTABC-UHFFFAOYSA-N 0 1 429.568 4.436 50 0 IIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 ZINC000002709575 556124725 /nfs/dbraw/zinc/12/47/25/556124725.db2.gz UFARZULEVAQLPF-UHFFFAOYSA-N 0 1 432.505 4.300 50 0 IIAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000008845427 556226761 /nfs/dbraw/zinc/22/67/61/556226761.db2.gz KSODDYFSZSONPT-XMMPIXPASA-N 0 1 426.476 4.321 50 0 IIAAMN Cc1ccc2nc([C@H](C)NC(=O)c3ccc(OC4CCN(C(=O)C5CC5)CC4)cc3)[nH]c2c1 ZINC000011663431 556344380 /nfs/dbraw/zinc/34/43/80/556344380.db2.gz YQPKOAUMWJATPE-KRWDZBQOSA-N 0 1 446.551 4.142 50 0 IIAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCc1nccs1 ZINC000011787122 556353864 /nfs/dbraw/zinc/35/38/64/556353864.db2.gz TXOSLTSRFLKCND-UHFFFAOYSA-N 0 1 438.578 4.177 50 0 IIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000011842416 556365749 /nfs/dbraw/zinc/36/57/49/556365749.db2.gz SCDIWFUXVDYCEM-UHFFFAOYSA-N 0 1 425.525 4.072 50 0 IIAAMN COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C(F)(F)F)cc3)N(C)C)no2)cc1 ZINC000032622929 556410209 /nfs/dbraw/zinc/41/02/09/556410209.db2.gz RFNPXXVGFGYPJD-IBGZPJMESA-N 0 1 433.430 4.402 50 0 IIAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000012991107 556428399 /nfs/dbraw/zinc/42/83/99/556428399.db2.gz SXPLCCWEQQFEMC-LADGPHEKSA-N 0 1 430.504 4.301 50 0 IIAAMN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nc(-c3ccccc3)n[nH]2)C1=O ZINC000032957534 556443155 /nfs/dbraw/zinc/44/31/55/556443155.db2.gz YIFODOVCFWMYHS-KRWDZBQOSA-N 0 1 426.929 4.439 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)N2CCCCC2)cc1 ZINC000013102362 556461111 /nfs/dbraw/zinc/46/11/11/556461111.db2.gz VCILNCSXWNKIIX-DQEYMECFSA-N 0 1 438.568 4.210 50 0 IIAAMN O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000015017182 556486400 /nfs/dbraw/zinc/48/64/00/556486400.db2.gz LLVJIEHGRJCBLN-BDYUSTAISA-N 0 1 425.532 4.275 50 0 IIAAMN CCN1CCN(c2ccccc2NC(=O)c2cc3cc(Br)ccc3[nH]2)CC1 ZINC000029992294 556488486 /nfs/dbraw/zinc/48/84/86/556488486.db2.gz ZGOAIAHHCBRIPZ-UHFFFAOYSA-N 0 1 427.346 4.325 50 0 IIAAMN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000016024814 556576204 /nfs/dbraw/zinc/57/62/04/556576204.db2.gz QSGDOQDPRJHQQM-YCRREMRBSA-N 0 1 449.319 4.236 50 0 IIAAMN O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1ccccc1F ZINC000022534894 556578225 /nfs/dbraw/zinc/57/82/25/556578225.db2.gz OZOGIVFOYPVXQG-UHFFFAOYSA-N 0 1 432.455 4.291 50 0 IIAAMN COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC ZINC000059835286 556579762 /nfs/dbraw/zinc/57/97/62/556579762.db2.gz ZRCMGZIIVNVXJQ-UHFFFAOYSA-N 0 1 431.536 4.278 50 0 IIAAMN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000016448642 556608739 /nfs/dbraw/zinc/60/87/39/556608739.db2.gz RSSCNZGLFQPXMR-UHFFFAOYSA-N 0 1 438.505 4.143 50 0 IIAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCOC)cc1 ZINC000011916383 556673282 /nfs/dbraw/zinc/67/32/82/556673282.db2.gz VFSRMRQGLABDAE-XMMPIXPASA-N 0 1 435.524 4.461 50 0 IIAAMN CCOC(=O)N1CCC(N2CCOc3c(cc(-c4cccc(OC)c4)cc3OC)C2)CC1 ZINC000011968930 556677577 /nfs/dbraw/zinc/67/75/77/556677577.db2.gz MSAXMPQLYDYDFX-UHFFFAOYSA-N 0 1 440.540 4.186 50 0 IIAAMN COc1ccccc1-c1c(C)nn2c1nc(C)cc2N1CCN(Cc2ccccc2)CC1 ZINC000054284534 556729854 /nfs/dbraw/zinc/72/98/54/556729854.db2.gz FBTWJBDSPSQIHU-UHFFFAOYSA-N 0 1 427.552 4.344 50 0 IIAAMN O[C@H](CN1CCN(Cc2ccccc2)CC1)CN1c2ccccc2Sc2ccccc21 ZINC000019372254 556748754 /nfs/dbraw/zinc/74/87/54/556748754.db2.gz PCQRDLBIHRUXQX-JOCHJYFZSA-N 0 1 431.605 4.468 50 0 IIAAMN Cc1cccn2c(=O)cc(CN(C)[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)nc12 ZINC000022969714 557054989 /nfs/dbraw/zinc/05/49/89/557054989.db2.gz ILIWKDIWZNFNPE-LJQANCHMSA-N 0 1 426.520 4.448 50 0 IIAAMN Cc1ccc2nc(CNC(=O)c3nc(-c4ccc(N5CCC(C)CC5)cc4)no3)[nH]c2c1 ZINC000033278223 557060141 /nfs/dbraw/zinc/06/01/41/557060141.db2.gz ANFHUUJMPIJIPA-UHFFFAOYSA-N 0 1 430.512 4.088 50 0 IIAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3cccc(SC)c3)CC2)c(Cl)c1 ZINC000023192532 557072337 /nfs/dbraw/zinc/07/23/37/557072337.db2.gz QSTFASSCMBSUNW-UHFFFAOYSA-N 0 1 449.016 4.482 50 0 IIAAMN OCC[C@@H]1CN(Cc2cnc(-c3cccc4ccccc43)nc2)CCN1Cc1ccccc1 ZINC000023358709 557087335 /nfs/dbraw/zinc/08/73/35/557087335.db2.gz IBAIJXUUIMOQMS-RUZDIDTESA-N 0 1 438.575 4.366 50 0 IIAAMN Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)c1C ZINC000011422707 557145942 /nfs/dbraw/zinc/14/59/42/557145942.db2.gz YLQVHMJTRBVIBF-UHFFFAOYSA-N 0 1 443.613 4.143 50 0 IIAAMN COc1ccc(NC(=O)c2nnc(CSc3n[nH]c(CCC4CCCC4)n3)s2)cc1 ZINC000024716426 557160479 /nfs/dbraw/zinc/16/04/79/557160479.db2.gz DTGHNNBNXDBURD-UHFFFAOYSA-N 0 1 444.586 4.332 50 0 IIAAMN COc1ccc(NC(=O)c2nnc(CSc3nc(CCC4CCCC4)n[nH]3)s2)cc1 ZINC000024716426 557160482 /nfs/dbraw/zinc/16/04/82/557160482.db2.gz DTGHNNBNXDBURD-UHFFFAOYSA-N 0 1 444.586 4.332 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000024895160 557194771 /nfs/dbraw/zinc/19/47/71/557194771.db2.gz IKWSHMGSFWJVHY-UHFFFAOYSA-N 0 1 448.504 4.138 50 0 IIAAMN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025146260 557196888 /nfs/dbraw/zinc/19/68/88/557196888.db2.gz LXZOOERVIODCFM-JTHBVZDNSA-N 0 1 428.517 4.272 50 0 IIAAMN COc1cc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1 ZINC000025387604 557206901 /nfs/dbraw/zinc/20/69/01/557206901.db2.gz WOFNTGPSAICOBH-UHFFFAOYSA-N 0 1 445.563 4.050 50 0 IIAAMN Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)Nc1cccnc1 ZINC000000797216 557212044 /nfs/dbraw/zinc/21/20/44/557212044.db2.gz OHGJXDOEIXHOQX-UHFFFAOYSA-N 0 1 431.311 4.184 50 0 IIAAMN Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000027594753 557267295 /nfs/dbraw/zinc/26/72/95/557267295.db2.gz LBJYJKZGWPJULV-HXUWFJFHSA-N 0 1 428.533 4.151 50 0 IIAAMN COc1ccc(C2=C3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3N(c3ccccc3)N2)cc1 ZINC000101361453 557276891 /nfs/dbraw/zinc/27/68/91/557276891.db2.gz IPKXEGBMKUGFHF-IFMALSPDSA-N 0 1 431.879 4.131 50 0 IIAAMN Cc1ccc2nc(CCNC(=O)c3nc(-c4ccc(N5CCC(C)CC5)cc4)no3)[nH]c2c1 ZINC000085807871 557536722 /nfs/dbraw/zinc/53/67/22/557536722.db2.gz ZQNWFKJXGZUTIO-UHFFFAOYSA-N 0 1 444.539 4.130 50 0 IIAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)c1 ZINC000006238721 562946484 /nfs/dbraw/zinc/94/64/84/562946484.db2.gz LPANQYFEAHDOIP-UHFFFAOYSA-N 0 1 429.929 4.083 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)N2CCCC2)cc1 ZINC000009119805 562967398 /nfs/dbraw/zinc/96/73/98/562967398.db2.gz FGTHHNJITRHTHG-VWLOTQADSA-N 0 1 449.551 4.446 50 0 IIAAMN CC1=NC(=O)N[C@H](c2ccc(OC(=O)c3ccccc3)cc2)C1C(=O)OCc1ccccc1 ZINC000000956306 568645873 /nfs/dbraw/zinc/64/58/73/568645873.db2.gz BPDBCULMCXDFKM-HSZRJFAPSA-N 0 1 442.471 4.277 50 0 IIAAMN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccsc1 ZINC000025331171 568652616 /nfs/dbraw/zinc/65/26/16/568652616.db2.gz BIKBSCHQIRLJBK-QHCPKHFHSA-N 0 1 435.593 4.173 50 0 IIAAMN O=S(=O)(c1ccccc1)[C@H](CCc1nc[nH]n1)c1ncc(C(F)(F)F)cc1Cl ZINC000001388193 568784792 /nfs/dbraw/zinc/78/47/92/568784792.db2.gz XYHQCXUIBOPHIQ-CQSZACIVSA-N 0 1 430.839 4.020 50 0 IIAAMN CC[C@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)c1ccccc1 ZINC000012780429 568800669 /nfs/dbraw/zinc/80/06/69/568800669.db2.gz BYKVXTVFTKWGQI-SFHVURJKSA-N 0 1 440.521 4.334 50 0 IIAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000026121315 568852502 /nfs/dbraw/zinc/85/25/02/568852502.db2.gz XGTOAFATWNNSAS-UHFFFAOYSA-N 0 1 436.556 4.314 50 0 IIAAMN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000040090760 568896652 /nfs/dbraw/zinc/89/66/52/568896652.db2.gz QVRRSCUMVMNNNX-NWMLYGLHSA-N 0 1 437.971 4.199 50 0 IIAAMN CCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000016567368 568922236 /nfs/dbraw/zinc/92/22/36/568922236.db2.gz HLCBDQRKXSSRRP-NDENLUEZSA-N 0 1 436.899 4.195 50 0 IIAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(O)cc4)c3NC3CCCCC3)s2)CC1 ZINC000064746074 568949398 /nfs/dbraw/zinc/94/93/98/568949398.db2.gz PFCGMLJQYQGNMC-UHFFFAOYSA-N 0 1 440.617 4.440 50 0 IIAAMN COc1cccc(CN(C[C@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146490 568962737 /nfs/dbraw/zinc/96/27/37/568962737.db2.gz FJISBFYCMXUTRT-RSXGOPAZSA-N 0 1 430.548 4.294 50 0 IIAAMN COc1cc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc(OC)c1OC ZINC000064845454 568972058 /nfs/dbraw/zinc/97/20/58/568972058.db2.gz NVJHSSITCGRXAN-UHFFFAOYSA-N 0 1 438.527 4.155 50 0 IIAAMN O[C@@H](COCc1ccccc1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000169677688 568989647 /nfs/dbraw/zinc/98/96/47/568989647.db2.gz VKGQATDSZHLVSF-RPWUZVMVSA-N 0 1 448.538 4.399 50 0 IIAAMN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169677370 568989676 /nfs/dbraw/zinc/98/96/76/568989676.db2.gz VWOUUVXVJDQPNA-GGAORHGYSA-N 0 1 443.513 4.095 50 0 IIAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccnc(-c2cccs2)c1 ZINC000065063091 569097775 /nfs/dbraw/zinc/09/77/75/569097775.db2.gz HOVHKZAGZOUCRH-UHFFFAOYSA-N 0 1 441.000 4.406 50 0 IIAAMN CCCN1CCN(C(=O)c2ccc(-n3c(-c4ccccc4)nc4cccnc43)cc2)CC1 ZINC000006900747 569105723 /nfs/dbraw/zinc/10/57/23/569105723.db2.gz SDKHTYORRMXWJG-UHFFFAOYSA-N 0 1 425.536 4.255 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000065116163 569107137 /nfs/dbraw/zinc/10/71/37/569107137.db2.gz DZJHTYCEAROBJQ-UHFFFAOYSA-N 0 1 443.525 4.289 50 0 IIAAMN O=C(Cc1ccc(Cl)cc1)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000089779525 569162763 /nfs/dbraw/zinc/16/27/63/569162763.db2.gz UGTBMGXVJVXRQR-UHFFFAOYSA-N 0 1 439.909 4.230 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000017026592 569171107 /nfs/dbraw/zinc/17/11/07/569171107.db2.gz UCDIKYOGWGYWGB-UHFFFAOYSA-N 0 1 436.533 4.397 50 0 IIAAMN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000002351168 569282704 /nfs/dbraw/zinc/28/27/04/569282704.db2.gz AUDKUVXUPSRQDI-VXNXHJTFSA-N 0 1 428.488 4.363 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@H]4CCCC[C@H]4C)c3=O)c2c1 ZINC000020331428 569360940 /nfs/dbraw/zinc/36/09/40/569360940.db2.gz KDTGZBQKCQLEIE-PBHICJAKSA-N 0 1 442.585 4.414 50 0 IIAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4cccc(C)c4)n[nH]3)no2)cc1 ZINC000095481950 569374233 /nfs/dbraw/zinc/37/42/33/569374233.db2.gz DIMQNOXOZDZGDL-UHFFFAOYSA-N 0 1 434.525 4.335 50 0 IIAAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000095483664 569374653 /nfs/dbraw/zinc/37/46/53/569374653.db2.gz YCFGGOFKEXXIIW-SMIHKQSGSA-N 0 1 428.488 4.363 50 0 IIAAMN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)ccc1O ZINC000096115736 569383401 /nfs/dbraw/zinc/38/34/01/569383401.db2.gz IRYXREOWEVUUOC-HNNXBMFYSA-N 0 1 430.412 4.321 50 0 biogenic IIAAMN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)ccc1O ZINC000096115737 569383492 /nfs/dbraw/zinc/38/34/92/569383492.db2.gz IRYXREOWEVUUOC-OAHLLOKOSA-N 0 1 430.412 4.321 50 0 biogenic IIAAMN Cc1ncc(CN2CCN(C)CC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116475 569383846 /nfs/dbraw/zinc/38/38/46/569383846.db2.gz VLDUGSDUNCHTKH-UHFFFAOYSA-N 0 1 429.520 4.146 50 0 biogenic IIAAMN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000096300320 569392086 /nfs/dbraw/zinc/39/20/86/569392086.db2.gz OAFCMBTWSKINQK-IXCJQBJRSA-N 0 1 436.559 4.343 50 0 biogenic IIAAMN O=C(NCCc1cccs1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000096457215 569400694 /nfs/dbraw/zinc/40/06/94/569400694.db2.gz UEDKFWSYNSLDHS-ILBGXUMGSA-N 0 1 449.595 4.109 50 0 IIAAMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccc(C)cc3)n[nH]1)CCC2 ZINC000002663176 569416308 /nfs/dbraw/zinc/41/63/08/569416308.db2.gz AVIRIWOQLLBQEN-UHFFFAOYSA-N 0 1 442.566 4.238 50 0 IIAAMN CCOC(=O)C1=C(CN2CC=C(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000057478427 569435866 /nfs/dbraw/zinc/43/58/66/569435866.db2.gz YMENRVPZXBNORW-RUZDIDTESA-N 0 1 445.563 4.209 50 0 IIAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000003256894 569443140 /nfs/dbraw/zinc/44/31/40/569443140.db2.gz JHJSLVVBKXLFGZ-UHFFFAOYSA-N 0 1 446.488 4.322 50 0 IIAAMN O=C(CN1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1)N1CCc2ccccc21 ZINC000038535971 569463222 /nfs/dbraw/zinc/46/32/22/569463222.db2.gz JXJRKHVURZVDMC-UHFFFAOYSA-N 0 1 442.485 4.356 50 0 IIAAMN COC(=O)C1C(CSc2nc3ccccc3s2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008816411 569476784 /nfs/dbraw/zinc/47/67/84/569476784.db2.gz INOXEDVKZMHYCF-IBGZPJMESA-N 0 1 439.562 4.486 50 0 IIAAMN CCCCOc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 ZINC000008926988 569487282 /nfs/dbraw/zinc/48/72/82/569487282.db2.gz SBXPTLFYCQZXNP-SFHVURJKSA-N 0 1 449.349 4.460 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000008977281 569492911 /nfs/dbraw/zinc/49/29/11/569492911.db2.gz CJSKAFVNVWZKCB-UHFFFAOYSA-N 0 1 442.562 4.064 50 0 IIAAMN CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009086407 569500598 /nfs/dbraw/zinc/50/05/98/569500598.db2.gz RQHUNEUQRSPJPB-MEWSVHOLSA-N 0 1 434.495 4.249 50 0 IIAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(Cl)c2)N(CCCO)C3=O)cc1Cl ZINC000009243107 569514780 /nfs/dbraw/zinc/51/47/80/569514780.db2.gz NFJGMKHSRWMFQE-FQEVSTJZSA-N 0 1 432.307 4.325 50 0 IIAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(CCCO)C3=O)cc1Cl ZINC000009243540 569514992 /nfs/dbraw/zinc/51/49/92/569514992.db2.gz RCYUKMWMTXTABU-HXUWFJFHSA-N 0 1 432.307 4.325 50 0 IIAAMN 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ZINC000008595831 556190656 /nfs/dbraw/zinc/19/06/56/556190656.db2.gz LMKYKMDTSRVCDM-JOCHJYFZSA-N 0 1 429.432 4.302 50 0 aggregator IIAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)ccc1O ZINC000008845135 556226723 /nfs/dbraw/zinc/22/67/23/556226723.db2.gz SFKGRUFVFOCXCX-XMMPIXPASA-N 0 1 442.475 4.027 50 0 IIAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1 ZINC000009971827 556319561 /nfs/dbraw/zinc/31/95/61/556319561.db2.gz VRIMMXRSCOOCNE-QHCPKHFHSA-N 0 1 446.507 4.127 50 0 IIAAMN COC(=O)c1ccc(-c2noc(CN3CCCC[C@@H]3c3nc4ccc(F)cc4[nH]3)n2)cc1 ZINC000011662158 556343565 /nfs/dbraw/zinc/34/35/65/556343565.db2.gz ICTWDXCEHMRJHP-LJQANCHMSA-N 0 1 435.459 4.266 50 0 IIAAMN COc1cc(O)ccc1CN1CCC2(C[C@@H]2C(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000011783603 556351792 /nfs/dbraw/zinc/35/17/92/556351792.db2.gz GUJMFXLLKJQWPI-XMMPIXPASA-N 0 1 432.564 4.319 50 0 IIAAMN O=C(c1cc(-c2ccccc2F)n[nH]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2 ZINC000011818983 556360914 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O=C(CCc1ccccc1F)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000067880241 556847663 /nfs/dbraw/zinc/84/76/63/556847663.db2.gz MJRDYJCLJLAIEW-JOCHJYFZSA-N 0 1 429.967 4.225 50 0 IIAAMN COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCCN(Cc3cnc[nH]3)C4)nc12 ZINC000067871871 556847683 /nfs/dbraw/zinc/84/76/83/556847683.db2.gz HVZBGUYUPZZFIV-UHFFFAOYSA-N 0 1 430.508 4.345 50 0 IIAAMN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000033170638 556886091 /nfs/dbraw/zinc/88/60/91/556886091.db2.gz YGYGSXMBIWASEV-WZUFQYTHSA-N 0 1 445.472 4.060 50 0 IIAAMN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000023115057 557005520 /nfs/dbraw/zinc/00/55/20/557005520.db2.gz GDWQJDGOVIPRAR-ZFDSFTMVSA-N 0 1 433.036 4.364 50 0 IIAAMN COc1ccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(Br)cc2)cc1 ZINC000046057833 557029095 /nfs/dbraw/zinc/02/90/95/557029095.db2.gz LVDDCEGDYBGVCY-QGZVFWFLSA-N 0 1 440.297 4.261 50 0 IIAAMN Cc1csc(-c2cc(S(=O)(=O)NCCCN3CCc4ccccc4C3)c(C)s2)n1 ZINC000033290015 557071931 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440.286 4.367 50 0 IIAAMN O=C(c1ccncc1)N(c1cccc(Cl)c1)C1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000100756102 557275985 /nfs/dbraw/zinc/27/59/85/557275985.db2.gz IHGWCJCNTAZUQS-LJQANCHMSA-N 0 1 440.286 4.367 50 0 IIAAMN Cn1c2ccccc2c(O)c([C@@H]2c3ccccc3Oc3c4ccccc4n(C)c(=O)c32)c1=O ZINC000100759776 557276025 /nfs/dbraw/zinc/27/60/25/557276025.db2.gz ITFULUCYHTWREB-NRFANRHFSA-N 0 1 436.467 4.382 50 0 IIAAMN CCN1CCN(Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)CC1 ZINC000033029211 557321571 /nfs/dbraw/zinc/32/15/71/557321571.db2.gz XTCXBLUMKZELFF-UHFFFAOYSA-N 0 1 428.005 4.378 50 0 IIAAMN Cn1nc(C(C)(C)C)cc1C(=O)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000023427098 557353664 /nfs/dbraw/zinc/35/36/64/557353664.db2.gz MECDMAYWTZWQBE-UHFFFAOYSA-N 0 1 442.607 4.364 50 0 IIAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000102692890 557364721 /nfs/dbraw/zinc/36/47/21/557364721.db2.gz YZCWRZXLAXRNDP-WXFUMESZSA-N 0 1 444.487 4.063 50 0 IIAAMN 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CCO[C@@]1(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C(=O)C(Cl)=C1Cl ZINC000003095692 557842191 /nfs/dbraw/zinc/84/21/91/557842191.db2.gz WCAIFDMFWJBWMC-IBGZPJMESA-N 0 1 426.321 4.048 50 0 IIAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1C ZINC000006023436 562945946 /nfs/dbraw/zinc/94/59/46/562945946.db2.gz IONLGROWVAPKLI-UHFFFAOYSA-N 0 1 429.929 4.083 50 0 IIAAMN CC(=O)c1ccccc1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020419427 563024818 /nfs/dbraw/zinc/02/48/18/563024818.db2.gz DVXWKHCUMHCUFT-VWLOTQADSA-N 0 1 444.575 4.036 50 0 IIAAMN CN(Cc1cc(C2CC2)[nH]n1)Cc1ccc2c(c1)CN(C(=O)[C@@H]1CC13CCCC3)CCO2 ZINC000299779995 568756992 /nfs/dbraw/zinc/75/69/92/568756992.db2.gz LQCHAJRJNHLCBE-QFIPXVFZSA-N 0 1 434.584 4.220 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1C ZINC000015745038 568819664 /nfs/dbraw/zinc/81/96/64/568819664.db2.gz BHMHQYBFQNPJRR-GOSISDBHSA-N 0 1 438.549 4.338 50 0 IIAAMN CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690132 568938582 /nfs/dbraw/zinc/93/85/82/568938582.db2.gz SRKGKCBQIXHYPJ-KSMMKXTCSA-N 0 1 430.574 4.143 50 0 IIAAMN COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CCN(Cc4ccc(F)cc4)C[C@@H]23)c1 ZINC000169677782 568989669 /nfs/dbraw/zinc/98/96/69/568989669.db2.gz HKHRVFDJYYDLOV-RSXGOPAZSA-N 0 1 445.538 4.336 50 0 IIAAMN CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169677372 568989714 /nfs/dbraw/zinc/98/97/14/568989714.db2.gz LPXDQHXXBPITLN-GGAORHGYSA-N 0 1 445.529 4.341 50 0 IIAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2cccc(F)c2)C[C@@H](O)COC(C)(C)C)C1 ZINC000169680314 568990794 /nfs/dbraw/zinc/99/07/94/568990794.db2.gz MHHSXSQYTKQNJZ-YADHBBJMSA-N 0 1 428.548 4.305 50 0 IIAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C[C@@H](O)COCc2ccco2)C1 ZINC000169679380 568991130 /nfs/dbraw/zinc/99/11/30/568991130.db2.gz MRQYSCHCGOUHCA-VWNXMTODSA-N 0 1 434.536 4.161 50 0 IIAAMN CC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306014 568995313 /nfs/dbraw/zinc/99/53/13/568995313.db2.gz CJLQARGRRACPPH-HXUWFJFHSA-N 0 1 439.556 4.107 50 0 IIAAMN CC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1 ZINC000036308878 568995683 /nfs/dbraw/zinc/99/56/83/568995683.db2.gz YKDCUEZJYOAUCL-OFNKIYASSA-N 0 1 444.641 4.469 50 0 IIAAMN O=S(=O)(NCCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccc(C2CCCCC2)cc1 ZINC000064969581 569076134 /nfs/dbraw/zinc/07/61/34/569076134.db2.gz ZETOEJXDEIWMJT-UHFFFAOYSA-N 0 1 428.533 4.180 50 0 IIAAMN O=S(=O)(NCCc1n[nH]c(Cc2cccc(F)c2)n1)c1ccc(C2CCCCC2)cc1 ZINC000064969763 569076304 /nfs/dbraw/zinc/07/63/04/569076304.db2.gz YZGRDCSYCJPOLO-UHFFFAOYSA-N 0 1 442.560 4.103 50 0 IIAAMN CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(CC)CC2)cc1 ZINC000036344119 569080059 /nfs/dbraw/zinc/08/00/59/569080059.db2.gz QIXUMGRVWPFIGW-AREMUKBSSA-N 0 1 448.611 4.017 50 0 IIAAMN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036343388 569080441 /nfs/dbraw/zinc/08/04/41/569080441.db2.gz KVGDPNNCHPOAFS-XMMPIXPASA-N 0 1 435.568 4.422 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC ZINC000036346392 569081032 /nfs/dbraw/zinc/08/10/32/569081032.db2.gz JEJJZUYJSCSXKN-NRFANRHFSA-N 0 1 427.520 4.331 50 0 IIAAMN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1n[nH]c(-c2ccccc2)c1Br ZINC000065106080 569106264 /nfs/dbraw/zinc/10/62/64/569106264.db2.gz FIOJAMFDWSIOOQ-UHFFFAOYSA-N 0 1 428.286 4.230 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2c(C)cccc2C)c1 ZINC000065116120 569107178 /nfs/dbraw/zinc/10/71/78/569107178.db2.gz YSSXWLXTJUMRSA-UHFFFAOYSA-N 0 1 443.525 4.289 50 0 IIAAMN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COCCOc2ccccc2C(C)C)CC1 ZINC000017121166 569174278 /nfs/dbraw/zinc/17/42/78/569174278.db2.gz NKGDFUXTHSWZCE-QFIPXVFZSA-N 0 1 447.019 4.350 50 0 IIAAMN CC(=O)c1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019358576 569319020 /nfs/dbraw/zinc/31/90/20/569319020.db2.gz QKEZJUJHNHRCAV-UHFFFAOYSA-N 0 1 427.548 4.235 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N[C@H](C)c4ccccc4)c3=O)c2c1 ZINC000020330499 569360766 /nfs/dbraw/zinc/36/07/66/569360766.db2.gz DJCKGFVWCCOBML-CQSZACIVSA-N 0 1 436.537 4.207 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)N4CCC[C@H](C)C4)c3=O)c2c1 ZINC000020329162 569360841 /nfs/dbraw/zinc/36/08/41/569360841.db2.gz FIVMVPKADUOXRH-HNNXBMFYSA-N 0 1 442.585 4.368 50 0 IIAAMN O=C(Nc1cnccc1N1CCOCC1)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 ZINC000096011099 569379724 /nfs/dbraw/zinc/37/97/24/569379724.db2.gz RTQWPIJEBKAMKW-UHFFFAOYSA-N 0 1 433.899 4.367 50 0 IIAAMN O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000096184204 569386066 /nfs/dbraw/zinc/38/60/66/569386066.db2.gz IWWLNDZQZCJHHU-UHFFFAOYSA-N 0 1 440.276 4.475 50 0 IIAAMN C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000097064078 569402935 /nfs/dbraw/zinc/40/29/35/569402935.db2.gz JJKQSJZZFXVMKC-QFIPXVFZSA-N 0 1 429.564 4.093 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC)c1 ZINC000003306283 569445233 /nfs/dbraw/zinc/44/52/33/569445233.db2.gz LECIJCYDKGPOKA-UHFFFAOYSA-N 0 1 428.535 4.470 50 0 IIAAMN COc1cc(/C=C/C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc(OC)c1 ZINC000058139739 569448526 /nfs/dbraw/zinc/44/85/26/569448526.db2.gz CBIYPQFYMATGAN-OUKQBFOZSA-N 0 1 438.505 4.157 50 0 IIAAMN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)ccc1O ZINC000217745878 569452549 /nfs/dbraw/zinc/45/25/49/569452549.db2.gz XTVYFCLFUXDYBA-HNNXBMFYSA-N 0 1 446.411 4.026 50 0 biogenic IIAAMN Cc1cccc(NC(=O)CNC(=O)CN(Cc2ccc(F)cc2)C2CCCCC2)c1C ZINC000008166038 569462452 /nfs/dbraw/zinc/46/24/52/569462452.db2.gz FJQIMMVQCNIPHL-UHFFFAOYSA-N 0 1 425.548 4.332 50 0 IIAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694583 569470098 /nfs/dbraw/zinc/47/00/98/569470098.db2.gz OSFDMLXZXFHOSK-XMSQKQJNSA-N 0 1 444.318 4.178 50 0 IIAAMN Cc1ccc(N2C(=O)CC(N3C(=O)SC(=Cc4ccc(Cl)cc4)C3=O)C2=O)cc1 ZINC000008741964 569472986 /nfs/dbraw/zinc/47/29/86/569472986.db2.gz NEICUGHFAJPPPA-FCNRDGCESA-N 0 1 426.881 4.017 50 0 IIAAMN Cc1ccc(N2C(=O)C[C@@H](N3C(=O)SC(=Cc4ccc(Cl)cc4)C3=O)C2=O)cc1 ZINC000008741964 569472987 /nfs/dbraw/zinc/47/29/87/569472987.db2.gz NEICUGHFAJPPPA-FCNRDGCESA-N 0 1 426.881 4.017 50 0 IIAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845352 569478837 /nfs/dbraw/zinc/47/88/37/569478837.db2.gz OPUCTGDZUQCRQM-XMMPIXPASA-N 0 1 426.476 4.321 50 0 IIAAMN COc1cc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845590 569478880 /nfs/dbraw/zinc/47/88/80/569478880.db2.gz RAQZJYKXHYMICM-DEOSSOPVSA-N 0 1 445.475 4.452 50 0 IIAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058992 569484759 /nfs/dbraw/zinc/48/47/59/569484759.db2.gz YNZXIMXBCCNBHV-AUSIDOKSSA-N 0 1 444.560 4.382 50 0 IIAAMN CCCNC(=O)c1cccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000040120194 569489415 /nfs/dbraw/zinc/48/94/15/569489415.db2.gz AMSUMXOLWNDCQK-UHFFFAOYSA-N 0 1 425.536 4.364 50 0 IIAAMN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C1 ZINC000008977258 569492955 /nfs/dbraw/zinc/49/29/55/569492955.db2.gz ZLQRSQIPCSLSGI-UHFFFAOYSA-N 0 1 432.954 4.401 50 0 IIAAMN O=S(=O)([C@H]1CCN(Cc2ccccc2)C1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000040155830 569494000 /nfs/dbraw/zinc/49/40/00/569494000.db2.gz MUWKNPVLTNOKJW-FQEVSTJZSA-N 0 1 441.622 4.080 50 0 IIAAMN COc1cccc([C@@H](CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)N(C)C)c1 ZINC000069232930 569497804 /nfs/dbraw/zinc/49/78/04/569497804.db2.gz OYPBNXOKRKAXTH-GOSISDBHSA-N 0 1 431.895 4.484 50 0 IIAAMN Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000009116890 569503004 /nfs/dbraw/zinc/50/30/04/569503004.db2.gz GHONKMQKYNXSLV-UHFFFAOYSA-N 0 1 447.925 4.311 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000009120540 569503895 /nfs/dbraw/zinc/50/38/95/569503895.db2.gz YPKBZSJPLQJUTG-UHFFFAOYSA-N 0 1 446.912 4.167 50 0 IIAAMN CCc1cccc(NS(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c1 ZINC000040450680 569506435 /nfs/dbraw/zinc/50/64/35/569506435.db2.gz KGBRCOKPNGOBPE-GFCCVEGCSA-N 0 1 437.359 4.110 50 0 IIAAMN CCCN1c2cc(NS(=O)(=O)c3cc(CC)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000009172235 569509459 /nfs/dbraw/zinc/50/94/59/569509459.db2.gz KDPGTGDULKXKFL-UHFFFAOYSA-N 0 1 446.569 4.220 50 0 IIAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(-c2ccno2)cc1 ZINC000009228213 569513562 /nfs/dbraw/zinc/51/35/62/569513562.db2.gz PHRAPVPTDCWCMU-UHFFFAOYSA-N 0 1 425.466 4.423 50 0 IIAAMN COc1ccccc1[C@@H]1c2c(ccc3ccccc32)Oc2ncn(CCN(C)C)c(=N)c21 ZINC000009348046 569524381 /nfs/dbraw/zinc/52/43/81/569524381.db2.gz SVQMAFYLCSMLNY-HSZRJFAPSA-N 0 1 426.520 4.372 50 0 IIAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCSc2nc3ccccc3s2)c1 ZINC000009388757 569528566 /nfs/dbraw/zinc/52/85/66/569528566.db2.gz PQKCRWTZBJYPJC-UHFFFAOYSA-N 0 1 436.580 4.307 50 0 IIAAMN CCOc1ccc(C(=O)Nc2c(N)nc(SCc3cccc4ccccc43)[nH]c2=O)cc1 ZINC000009518179 569543931 /nfs/dbraw/zinc/54/39/31/569543931.db2.gz POXNEXMFQIVTQD-UHFFFAOYSA-N 0 1 446.532 4.449 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2cccc(OCc3c(C)noc3C)c2)N2CCCC2)cc1 ZINC000009641837 569555773 /nfs/dbraw/zinc/55/57/73/569555773.db2.gz RBUGGFQQMDHGPF-VWLOTQADSA-N 0 1 449.551 4.446 50 0 IIAAMN C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(Cl)cn1 ZINC000009724494 569563732 /nfs/dbraw/zinc/56/37/32/569563732.db2.gz QTVJUTCXQYJTPC-SECBINFHSA-N 0 1 438.738 4.402 50 0 IIAAMN COCCNC(=O)CSc1[nH]c(-c2cccc(OC)c2)nc1-c1ccc(Cl)cc1 ZINC000009674151 569559058 /nfs/dbraw/zinc/55/90/58/569559058.db2.gz QAGRYCBNVGDTLA-UHFFFAOYSA-N 0 1 431.945 4.260 50 0 IIAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2C)c1 ZINC000009913319 569573313 /nfs/dbraw/zinc/57/33/13/569573313.db2.gz ZOUUQMLLPPYPOD-GOTSBHOMSA-N 0 1 426.472 4.065 50 0 IIAAMN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(Cc2ccsc2)CC1 ZINC000077200881 569586585 /nfs/dbraw/zinc/58/65/85/569586585.db2.gz GWUOTKZJYNJUHK-UHFFFAOYSA-N 0 1 432.533 4.099 50 0 IIAAMN Cc1cccc(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1 ZINC000055037045 193932431 /nfs/dbraw/zinc/93/24/31/193932431.db2.gz OFDHNHRUAWGOPF-QFIPXVFZSA-N 0 1 431.502 4.441 50 0 IIAAMN Cc1ccc2nc(N3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)[nH]c2c1 ZINC000008599345 132285923 /nfs/dbraw/zinc/28/59/23/132285923.db2.gz QASARHAWWLHGAL-UHFFFAOYSA-N 0 1 437.975 4.090 50 0 IIAAMN CCn1c2ccccc2c2nnc(NCCCN3CCN(c4cccc(Cl)c4)CC3)nc21 ZINC000009405483 132314944 /nfs/dbraw/zinc/31/49/44/132314944.db2.gz RJYVMLKIUSXACI-UHFFFAOYSA-N 0 1 449.990 4.277 50 0 IIAAMN Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000009612363 132323553 /nfs/dbraw/zinc/32/35/53/132323553.db2.gz NEPWTMKZDQGRGO-UHFFFAOYSA-N 0 1 446.526 4.371 50 0 IIAAMN CCN1CCN(c2nc3ccc(OC(=O)c4ccc(Br)cc4)cc3s2)CC1 ZINC000012488689 521700834 /nfs/dbraw/zinc/70/08/34/521700834.db2.gz SUDVGBUNVVIKKU-UHFFFAOYSA-N 0 1 446.370 4.420 50 0 IIAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(Cl)ccc2F)cc1 ZINC000020723350 522105516 /nfs/dbraw/zinc/10/55/16/522105516.db2.gz ABLWYUPZTCLMQE-IBGZPJMESA-N 0 1 428.851 4.168 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000021757269 522188472 /nfs/dbraw/zinc/18/84/72/522188472.db2.gz HYLQODUYBGDOER-UHFFFAOYSA-N 0 1 438.553 4.170 50 0 IIAAMN COc1cc(OC)c(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc1Cl ZINC000020990140 522815425 /nfs/dbraw/zinc/81/54/25/522815425.db2.gz XZLQNCDOIPGVNE-UHFFFAOYSA-N 0 1 448.928 4.467 50 0 IIAAMN CC[C@H](C)NC(=O)c1cnc(-c2ccc(C)cc2)nc1N1CCN(Cc2ccccc2)CC1 ZINC000035988867 524001851 /nfs/dbraw/zinc/00/18/51/524001851.db2.gz VFBUZZJXEPCWGH-NRFANRHFSA-N 0 1 443.595 4.303 50 0 IIAAMN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCCN(C)C)o1 ZINC000012419259 525012625 /nfs/dbraw/zinc/01/26/25/525012625.db2.gz GDERCFCBBQQZPU-UHFFFAOYSA-N 0 1 433.961 4.500 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)CSc2nc(C3CC3)n[nH]2)c2c[nH]c3ccccc32)cc1 ZINC000021737309 525182027 /nfs/dbraw/zinc/18/20/27/525182027.db2.gz JVQNHLRQJDTZTO-LJQANCHMSA-N 0 1 447.564 4.212 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)CSc2n[nH]c(C3CC3)n2)c2c[nH]c3ccccc32)cc1 ZINC000021737309 525182046 /nfs/dbraw/zinc/18/20/46/525182046.db2.gz JVQNHLRQJDTZTO-LJQANCHMSA-N 0 1 447.564 4.212 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)N2CCN(C)CC2)cc1 ZINC000022579703 525184636 /nfs/dbraw/zinc/18/46/36/525184636.db2.gz MWJBAWBMUQFSLL-AREMUKBSSA-N 0 1 429.564 4.081 50 0 IIAAMN C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC000012796058 525409077 /nfs/dbraw/zinc/40/90/77/525409077.db2.gz CWNKNHHGRJVXRD-PXAZEXFGSA-N 0 1 425.838 4.297 50 0 IIAAMN Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2nc(C)nc(N3CCN(C)CC3)c12 ZINC000020753806 525657960 /nfs/dbraw/zinc/65/79/60/525657960.db2.gz RTHPXRVRZHCZIA-UHFFFAOYSA-N 0 1 433.940 4.105 50 0 IIAAMN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C ZINC000020982469 525666685 /nfs/dbraw/zinc/66/66/85/525666685.db2.gz LYLNHOFLRKYBNF-INIZCTEOSA-N 0 1 442.566 4.014 50 0 IIAAMN CSc1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1 ZINC000020989936 526138555 /nfs/dbraw/zinc/13/85/55/526138555.db2.gz TXLUFZPQMPRVMG-UHFFFAOYSA-N 0 1 435.615 4.181 50 0 IIAAMN CSc1ccccc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000012740998 526179489 /nfs/dbraw/zinc/17/94/89/526179489.db2.gz VGLHKBJCBYVORG-UHFFFAOYSA-N 0 1 442.349 4.062 50 0 IIAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000012761812 526728660 /nfs/dbraw/zinc/72/86/60/526728660.db2.gz DHLDUEUWGRGJNB-DEOSSOPVSA-N 0 1 445.563 4.388 50 0 IIAAMN O=C(c1cccc(OC2CCN(Cc3cccn3-c3ccccn3)CC2)c1)N1CCCC1 ZINC000012373435 526774553 /nfs/dbraw/zinc/77/45/53/526774553.db2.gz MWZQKSJAGWAYSB-UHFFFAOYSA-N 0 1 430.552 4.152 50 0 IIAAMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC(N)=O ZINC000000645294 555520206 /nfs/dbraw/zinc/52/02/06/555520206.db2.gz CCDRRCHFDYIAGX-UHFFFAOYSA-N 0 1 446.912 4.106 50 0 IIAAMN CCSc1nnc2c(n1)O[C@@H](C(=O)c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000000684207 555539248 /nfs/dbraw/zinc/53/92/48/555539248.db2.gz BENGCJLOKDDYFR-SFHVURJKSA-N 0 1 443.326 4.426 50 0 IIAAMN O=C(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 ZINC000001039498 555609401 /nfs/dbraw/zinc/60/94/01/555609401.db2.gz ZVKYBCZFAWOTCX-UHFFFAOYSA-N 0 1 426.338 4.105 50 0 IIAAMN CN(C)CCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000002082514 555738676 /nfs/dbraw/zinc/73/86/76/555738676.db2.gz USGZICBYGVBWTB-UHFFFAOYSA-N 0 1 425.963 4.253 50 0 IIAAMN CCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)[C@H](C)CC ZINC000034834910 555913926 /nfs/dbraw/zinc/91/39/26/555913926.db2.gz ZQJZKYCDMZQAPN-HXUWFJFHSA-N 0 1 425.621 4.250 50 0 IIAAMN O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000006270586 556083188 /nfs/dbraw/zinc/08/31/88/556083188.db2.gz NBLXTIGEXHZSCX-UHFFFAOYSA-N 0 1 431.517 4.008 50 0 IIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 ZINC000002709306 556124832 /nfs/dbraw/zinc/12/48/32/556124832.db2.gz XCFNHQLPKGGVKW-UHFFFAOYSA-N 0 1 437.308 4.145 50 0 IIAAMN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)NCCc1cnc[nH]1 ZINC000008775685 556214033 /nfs/dbraw/zinc/21/40/33/556214033.db2.gz GEXWXBOFHZGCNO-UHFFFAOYSA-N 0 1 438.940 4.023 50 0 IIAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000013986328 556351816 /nfs/dbraw/zinc/35/18/16/556351816.db2.gz RYGOEUQVJYQQQX-ILBGXUMGSA-N 0 1 426.516 4.145 50 0 IIAAMN CC(C)c1c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cnn1-c1cccc(Cl)c1 ZINC000032795912 556358197 /nfs/dbraw/zinc/35/81/97/556358197.db2.gz GBMWSSRSHYPWEZ-UHFFFAOYSA-N 0 1 438.963 4.048 50 0 IIAAMN O=C(CC[C@H]1CCCN(Cc2ccc(F)cc2F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011842893 556366348 /nfs/dbraw/zinc/36/63/48/556366348.db2.gz WOJDXEMQGPMJRD-JOCHJYFZSA-N 0 1 441.566 4.301 50 0 IIAAMN CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000011935291 556377927 /nfs/dbraw/zinc/37/79/27/556377927.db2.gz DBHOZLMNCFYMJI-IBGZPJMESA-N 0 1 443.853 4.110 50 0 IIAAMN Cn1cnnc1Sc1ccc(CN2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000012025729 556387796 /nfs/dbraw/zinc/38/77/96/556387796.db2.gz HPGIZFUCPYSYTM-INIZCTEOSA-N 0 1 443.548 4.329 50 0 IIAAMN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccc(F)cc1 ZINC000032622355 556409671 /nfs/dbraw/zinc/40/96/71/556409671.db2.gz IDXJSGGBRTXVNW-GOSISDBHSA-N 0 1 432.293 4.276 50 0 IIAAMN COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(Br)o4)ns3)no2)cc1 ZINC000028293761 556451090 /nfs/dbraw/zinc/45/10/90/556451090.db2.gz AKDSTVAGYZCDCG-UHFFFAOYSA-N 0 1 447.270 4.477 50 0 IIAAMN COc1ccc2nc(CCN(C)Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)[nH]c2c1 ZINC000015074031 556497992 /nfs/dbraw/zinc/49/79/92/556497992.db2.gz SODQTOIKXAKBMU-UHFFFAOYSA-N 0 1 445.445 4.239 50 0 IIAAMN COc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000032899234 556527163 /nfs/dbraw/zinc/52/71/63/556527163.db2.gz QDWMLDFRPUJHQS-ROUUACIJSA-N 0 1 446.975 4.157 50 0 IIAAMN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000013598955 556532662 /nfs/dbraw/zinc/53/26/62/556532662.db2.gz AUDKUVXUPSRQDI-HJOGWXRNSA-N 0 1 428.488 4.363 50 0 IIAAMN O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000015545278 556533681 /nfs/dbraw/zinc/53/36/81/556533681.db2.gz UBBYOEXINZEKFY-UHFFFAOYSA-N 0 1 442.850 4.364 50 0 IIAAMN CCc1c(O)nc(SCC(=O)Nc2nc3ccccc3s2)n(C2CCCCC2)c1=O ZINC000013635546 556540783 /nfs/dbraw/zinc/54/07/83/556540783.db2.gz AAFMLKQWFWNBFF-UHFFFAOYSA-N 0 1 444.582 4.357 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000100799156 556675289 /nfs/dbraw/zinc/67/52/89/556675289.db2.gz PUCZXUVHKHVZFL-SMIHKQSGSA-N 0 1 444.487 4.063 50 0 IIAAMN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000032931779 556676627 /nfs/dbraw/zinc/67/66/27/556676627.db2.gz OYYCBUJQCBCKAM-UHFFFAOYSA-N 0 1 427.439 4.108 50 0 IIAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 ZINC000055575262 556742466 /nfs/dbraw/zinc/74/24/66/556742466.db2.gz QKPPKJJERFBBGS-HSZRJFAPSA-N 0 1 430.596 4.222 50 0 IIAAMN Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000058135220 556760547 /nfs/dbraw/zinc/76/05/47/556760547.db2.gz OQNYQZOKDJIWIK-UHFFFAOYSA-N 0 1 425.583 4.018 50 0 IIAAMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000062580058 556835401 /nfs/dbraw/zinc/83/54/01/556835401.db2.gz RAEVATFDUZGPNC-QFIPXVFZSA-N 0 1 426.582 4.354 50 0 IIAAMN COc1ccc(CN(Cc2cc(=O)n3c(n2)sc2c3CCCC2)CC(C)C)cc1OC ZINC000033068970 556837208 /nfs/dbraw/zinc/83/72/08/556837208.db2.gz DRURBZGGUIFEIB-UHFFFAOYSA-N 0 1 441.597 4.310 50 0 IIAAMN Cc1cc(Cl)ccc1NC(=O)CCc1nc(CSc2nc(-c3ccco3)n[nH]2)no1 ZINC000033087473 556857504 /nfs/dbraw/zinc/85/75/04/556857504.db2.gz OCKIFDPCEUKVGB-UHFFFAOYSA-N 0 1 444.904 4.273 50 0 IIAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccco4)n[nH]3)no2)cc1Cl ZINC000033087454 556857538 /nfs/dbraw/zinc/85/75/38/556857538.db2.gz ZVROHNSWFCQBIT-UHFFFAOYSA-N 0 1 444.904 4.273 50 0 IIAAMN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccccc1C ZINC000033170649 556886208 /nfs/dbraw/zinc/88/62/08/556886208.db2.gz QVAUCUKTFVAREE-BENRWUELSA-N 0 1 441.509 4.230 50 0 IIAAMN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(OCCO)cc2)CC1 ZINC000077002481 556995599 /nfs/dbraw/zinc/99/55/99/556995599.db2.gz YJOIVYJEQHGAAF-UHFFFAOYSA-N 0 1 431.960 4.099 50 0 IIAAMN CCCCN1C(=O)NC(=O)C(=C(CC)NCCC(c2ccccc2)c2ccccc2)C1=O ZINC000020323910 557007690 /nfs/dbraw/zinc/00/76/90/557007690.db2.gz UNUDRDOBKUXYCQ-GHVJWSGMSA-N 0 1 433.552 4.341 50 0 IIAAMN CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Br)cc(Br)c2O)C(=O)O1 ZINC000001405977 557019712 /nfs/dbraw/zinc/01/97/12/557019712.db2.gz FFDHEVKMAZRMPJ-UHFFFAOYSA-N 0 1 448.107 4.163 50 0 IIAAMN O=C(CCc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)no1)Nc1ccccc1 ZINC000033270839 557047707 /nfs/dbraw/zinc/04/77/07/557047707.db2.gz UMQDRPKFYGULQM-UHFFFAOYSA-N 0 1 440.916 4.372 50 0 IIAAMN Cc1nc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)cc2[nH]1 ZINC000010896720 557082383 /nfs/dbraw/zinc/08/23/83/557082383.db2.gz JYECEOWMTFJAMM-UHFFFAOYSA-N 0 1 442.447 4.203 50 0 IIAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018006620 557152612 /nfs/dbraw/zinc/15/26/12/557152612.db2.gz BQFOUNRVJDTJHS-VXNXHJTFSA-N 0 1 444.487 4.069 50 0 IIAAMN O=C(c1ccc2c(c1)NC(=O)CO2)C1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000069923735 557166600 /nfs/dbraw/zinc/16/66/00/557166600.db2.gz BGAFXMRUWAZRQC-UHFFFAOYSA-N 0 1 435.911 4.314 50 0 IIAAMN C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000024831547 557170553 /nfs/dbraw/zinc/17/05/53/557170553.db2.gz XEABMCAPZPLRPI-SJCJKPOMSA-N 0 1 425.838 4.297 50 0 IIAAMN Cc1cccc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)c1 ZINC000100051387 557238784 /nfs/dbraw/zinc/23/87/84/557238784.db2.gz JFBDIJNKUFHCEH-VWLOTQADSA-N 0 1 439.559 4.034 50 0 IIAAMN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018143622 557242824 /nfs/dbraw/zinc/24/28/24/557242824.db2.gz HQSPYXVGXOZEBV-ZLNRFVROSA-N 0 1 432.451 4.276 50 0 IIAAMN Cc1c2ccc(Br)cc2oc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000027583359 557266871 /nfs/dbraw/zinc/26/68/71/557266871.db2.gz NTWXULOEWZZLGZ-UHFFFAOYSA-N 0 1 448.405 4.184 50 0 IIAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220675172 557364170 /nfs/dbraw/zinc/36/41/70/557364170.db2.gz AEWOZTRULVAQMS-HNNXBMFYSA-N 0 1 449.461 4.500 50 0 IIAAMN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102728746 557370667 /nfs/dbraw/zinc/37/06/67/557370667.db2.gz NCHDXFHHGQEGQN-WXFUMESZSA-N 0 1 444.487 4.063 50 0 IIAAMN O=C(NCC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000104916702 557465178 /nfs/dbraw/zinc/46/51/78/557465178.db2.gz VWOUUVXVJDQPNA-JTHBVZDNSA-N 0 1 443.513 4.095 50 0 IIAAMN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000106920881 557533292 /nfs/dbraw/zinc/53/32/92/557533292.db2.gz VGTHDNVHMOVQIF-PZJWPPBQSA-N 0 1 447.501 4.489 50 0 IIAAMN COc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000226983507 557811528 /nfs/dbraw/zinc/81/15/28/557811528.db2.gz HKVSAYZUUFBPRN-BHDDXSALSA-N 0 1 434.879 4.400 50 0 IIAAMN O=C(C[C@@H](NC(=O)C(F)(F)F)c1ccccc1)Nc1nnc(CCc2ccccc2)s1 ZINC000002477164 562928194 /nfs/dbraw/zinc/92/81/94/562928194.db2.gz OMWMLWRHUIHMQO-MRXNPFEDSA-N 0 1 448.470 4.072 50 0 aggregator IIAAMN COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000008595039 562953257 /nfs/dbraw/zinc/95/32/57/562953257.db2.gz OUCUUZYCWPDSPW-FQEVSTJZSA-N 0 1 437.565 4.448 50 0 IIAAMN CC(C)C[N@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)[O-])C1 ZINC000299760592 568755744 /nfs/dbraw/zinc/75/57/44/568755744.db2.gz VEUOUPAFZUZULL-GHTZIAJQSA-N 0 1 441.538 4.039 50 0 IIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cccnc2)cc1OC ZINC000263585804 568759240 /nfs/dbraw/zinc/75/92/40/568759240.db2.gz MULJLXNLDVSDMO-OAHLLOKOSA-N 0 1 445.427 4.019 50 0 biogenic IIAAMN CCOC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983635 568838803 /nfs/dbraw/zinc/83/88/03/568838803.db2.gz DILLGLRMGMRCSI-LEWJYISDSA-N 0 1 437.367 4.386 50 0 IIAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000006140208 568845194 /nfs/dbraw/zinc/84/51/94/568845194.db2.gz SHNZTQBJJRSAKA-UHFFFAOYSA-N 0 1 446.326 4.206 50 0 IIAAMN O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000524729396 568903902 /nfs/dbraw/zinc/90/39/02/568903902.db2.gz RPEMQGXRPSNPLZ-HNNXBMFYSA-N 0 1 428.396 4.335 50 0 biogenic IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)N2CCCC2)cc1 ZINC000089312047 568920808 /nfs/dbraw/zinc/92/08/08/568920808.db2.gz XVAAJTPVYPRWII-NRFANRHFSA-N 0 1 444.963 4.009 50 0 IIAAMN CCc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000016567374 568922263 /nfs/dbraw/zinc/92/22/63/568922263.db2.gz ITYFRRAFZZWSOP-ODLFYWEKSA-N 0 1 440.862 4.026 50 0 IIAAMN COC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346712 569081372 /nfs/dbraw/zinc/08/13/72/569081372.db2.gz ICJUOJJMMIEPDL-OAQYLSRUSA-N 0 1 445.510 4.469 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000065115943 569106988 /nfs/dbraw/zinc/10/69/88/569106988.db2.gz DDPIGAGTUYRICM-UHFFFAOYSA-N 0 1 429.498 4.035 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000065115922 569106995 /nfs/dbraw/zinc/10/69/95/569106995.db2.gz KAKODSSKQHWURZ-UHFFFAOYSA-N 0 1 435.889 4.071 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000065115984 569107004 /nfs/dbraw/zinc/10/70/04/569107004.db2.gz BZLOPPBDWXPPKN-UHFFFAOYSA-N 0 1 429.498 4.035 50 0 IIAAMN CCCCN1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3C(C)C)CC1 ZINC000065241449 569120932 /nfs/dbraw/zinc/12/09/32/569120932.db2.gz RLZAWTGLSSYWLG-UHFFFAOYSA-N 0 1 438.597 4.159 50 0 IIAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)n[nH]1 ZINC000071009421 569149247 /nfs/dbraw/zinc/14/92/47/569149247.db2.gz FDHORPGYADPRHO-UHFFFAOYSA-N 0 1 434.540 4.227 50 0 IIAAMN COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016891201 569165799 /nfs/dbraw/zinc/16/57/99/569165799.db2.gz CXFQUJKJPAFMSN-FNZWTVRRSA-N 0 1 449.620 4.367 50 0 IIAAMN O=C(Nc1cccc(C(F)(F)F)c1)c1cncc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000017155255 569175001 /nfs/dbraw/zinc/17/50/01/569175001.db2.gz AZCTYTKYYDJKBW-UHFFFAOYSA-N 0 1 439.390 4.293 50 0 IIAAMN CCOCCN1CCN(C[C@@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000252550213 569190867 /nfs/dbraw/zinc/19/08/67/569190867.db2.gz SHTSUYDYNQWHCN-UXHICEINSA-N 0 1 447.620 4.285 50 0 IIAAMN O=c1c2c3c(sc2n(CCN2CCCCC2)c(=O)n1Cc1ccccc1)CCCCC3 ZINC000002351288 569282793 /nfs/dbraw/zinc/28/27/93/569282793.db2.gz WPZBTZSBRLVMRN-UHFFFAOYSA-N 0 1 437.609 4.028 50 0 IIAAMN Cc1ccc(S(=O)(=O)Nc2nc(C)c(Br)cc2Br)s1 ZINC000095457194 569368950 /nfs/dbraw/zinc/36/89/50/569368950.db2.gz BXJXKMGGHVGXMD-UHFFFAOYSA-N 0 1 426.155 4.086 50 0 IIAAMN FC(F)(F)c1cccc([C@@H](Nc2ncnc3c2cnn3-c2ccccc2)c2nnc[nH]2)c1 ZINC000096011400 569379805 /nfs/dbraw/zinc/37/98/05/569379805.db2.gz WKJGOHRKLIKJFV-QGZVFWFLSA-N 0 1 436.401 4.154 50 0 IIAAMN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000230156857 569439655 /nfs/dbraw/zinc/43/96/55/569439655.db2.gz OAFCMBTWSKINQK-XTEPFMGCSA-N 0 1 436.559 4.343 50 0 biogenic IIAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccsc2)CC(=O)O4)cc1O ZINC000217670102 569451258 /nfs/dbraw/zinc/45/12/58/569451258.db2.gz HHLNLDQUCMUJNT-CYBMUJFWSA-N 0 1 436.441 4.382 50 0 biogenic IIAAMN COc1ccc(NC(=O)CCc2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000008725721 569472250 /nfs/dbraw/zinc/47/22/50/569472250.db2.gz XMQCDRGLEBVHSK-UHFFFAOYSA-N 0 1 434.514 4.268 50 0 IIAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000008927654 569487327 /nfs/dbraw/zinc/48/73/27/569487327.db2.gz NSRNNAGNOUZOIF-MRXNPFEDSA-N 0 1 436.331 4.046 50 0 IIAAMN COc1ccccc1[C@H]1c2c(ccc3ccccc32)Oc2ncn(CCN(C)C)c(=N)c21 ZINC000008995857 569495683 /nfs/dbraw/zinc/49/56/83/569495683.db2.gz SVQMAFYLCSMLNY-QHCPKHFHSA-N 0 1 426.520 4.372 50 0 IIAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1Cl ZINC000040266825 569497242 /nfs/dbraw/zinc/49/72/42/569497242.db2.gz GYZHSRZZRYPDCV-IBGZPJMESA-N 0 1 439.343 4.107 50 0 IIAAMN CCC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245327976 569503862 /nfs/dbraw/zinc/50/38/62/569503862.db2.gz MHHOBLVUYIZPRQ-IFMALSPDSA-N 0 1 444.641 4.353 50 0 IIAAMN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000009126857 569505075 /nfs/dbraw/zinc/50/50/75/569505075.db2.gz XDBPXPYIAVFXHP-UHFFFAOYSA-N 0 1 448.859 4.261 50 0 IIAAMN Cc1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1C ZINC000040450418 569506310 /nfs/dbraw/zinc/50/63/10/569506310.db2.gz AWKCZSXHCNWGCV-UHFFFAOYSA-N 0 1 449.370 4.166 50 0 IIAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(C)cc3C)cc21 ZINC000040454551 569506464 /nfs/dbraw/zinc/50/64/64/569506464.db2.gz BLWDKDTYEJITJL-UHFFFAOYSA-N 0 1 437.359 4.166 50 0 IIAAMN CC(C)CN1c2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009172682 569509571 /nfs/dbraw/zinc/50/95/71/569509571.db2.gz OVDATEXJTFEQHJ-UHFFFAOYSA-N 0 1 438.496 4.173 50 0 IIAAMN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000009257437 569516806 /nfs/dbraw/zinc/51/68/06/569516806.db2.gz JVEYULDARGZVJG-UHFFFAOYSA-N 0 1 446.583 4.176 50 0 IIAAMN CCc1nc(SCC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)n[nH]1 ZINC000009336145 569523421 /nfs/dbraw/zinc/52/34/21/569523421.db2.gz KCAFWQPBRPNXEW-UHFFFAOYSA-N 0 1 444.564 4.439 50 0 IIAAMN CCc1n[nH]c(SCC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)n1 ZINC000009336145 569523422 /nfs/dbraw/zinc/52/34/22/569523422.db2.gz KCAFWQPBRPNXEW-UHFFFAOYSA-N 0 1 444.564 4.439 50 0 IIAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000009408944 569530763 /nfs/dbraw/zinc/53/07/63/569530763.db2.gz KPUFVFBOXMQRCF-KOSHJBKYSA-N 0 1 433.508 4.295 50 0 IIAAMN CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1 ZINC000009409204 569530871 /nfs/dbraw/zinc/53/08/71/569530871.db2.gz HKZPXIZYORYQTG-DEOSSOPVSA-N 0 1 435.524 4.279 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000009444290 569535744 /nfs/dbraw/zinc/53/57/44/569535744.db2.gz JMEGONBGXXPXEN-UHFFFAOYSA-N 0 1 446.912 4.410 50 0 IIAAMN COc1ccc2nc(SCC(=O)N[C@H](c3ccc4c(c3)OCCCO4)C(C)C)[nH]c2c1 ZINC000009467244 569538386 /nfs/dbraw/zinc/53/83/86/569538386.db2.gz MBSKGARGKQGCFI-QFIPXVFZSA-N 0 1 441.553 4.338 50 0 IIAAMN CC(C)[C@@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCCO2 ZINC000009580773 569548805 /nfs/dbraw/zinc/54/88/05/569548805.db2.gz GUJVNJMTKIDAOW-OAQYLSRUSA-N 0 1 438.553 4.239 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)N2CCCCC2)cc1 ZINC000009584541 569549389 /nfs/dbraw/zinc/54/93/89/569549389.db2.gz YHUATMWABUOBFI-QHCPKHFHSA-N 0 1 447.535 4.498 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2cccc(OCc3c(C)noc3C)c2)N2CCCC2)cc1 ZINC000009641841 569555770 /nfs/dbraw/zinc/55/57/70/569555770.db2.gz RBUGGFQQMDHGPF-RUZDIDTESA-N 0 1 449.551 4.446 50 0 IIAAMN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000009669638 569558107 /nfs/dbraw/zinc/55/81/07/569558107.db2.gz CULGTAPNQFGSQG-UHFFFAOYSA-N 0 1 430.946 4.318 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)N2CCCCC2)cc1 ZINC000009712517 569562335 /nfs/dbraw/zinc/56/23/35/569562335.db2.gz NANBWOMSAAVKCO-FQEVSTJZSA-N 0 1 430.932 4.077 50 0 IIAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009762523 569566529 /nfs/dbraw/zinc/56/65/29/569566529.db2.gz BRQXJJUEGAISOI-JOCHJYFZSA-N 0 1 447.604 4.256 50 0 IIAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000009778241 569567213 /nfs/dbraw/zinc/56/72/13/569567213.db2.gz BIMOQOBYTNXUNX-FGZHOGPDSA-N 0 1 446.890 4.491 50 0 IIAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009794346 569568382 /nfs/dbraw/zinc/56/83/82/569568382.db2.gz XNWXSPAKAAHJPN-UHFFFAOYSA-N 0 1 438.505 4.209 50 0 IIAAMN COc1cccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2C)c1 ZINC000009913317 569573360 /nfs/dbraw/zinc/57/33/60/569573360.db2.gz ZOUUQMLLPPYPOD-PKTZIBPZSA-N 0 1 426.472 4.065 50 0 IIAAMN COc1cccc(-c2cc(C(=O)N3CCC(c4nnc(-c5ccco5)s4)CC3)n[nH]2)c1 ZINC000077177530 569585849 /nfs/dbraw/zinc/58/58/49/569585849.db2.gz HCSUFGMEZPPEJI-UHFFFAOYSA-N 0 1 435.509 4.217 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1N1CCCCC1 ZINC000009183618 132307572 /nfs/dbraw/zinc/30/75/72/132307572.db2.gz JZAJBVSZANTHST-UHFFFAOYSA-N 0 1 431.558 4.081 50 0 IIAAMN Cc1cc(Cl)ccc1Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2nccnc21 ZINC000013010867 132342455 /nfs/dbraw/zinc/34/24/55/132342455.db2.gz HWRUTMOJOKTRAV-UHFFFAOYSA-N 0 1 445.958 4.447 50 0 IIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc(OC)c2OC)CC1 ZINC000012507347 520458741 /nfs/dbraw/zinc/45/87/41/520458741.db2.gz JGNZDNGRHHYTMK-UHFFFAOYSA-N 0 1 427.541 4.318 50 0 IIAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)C1 ZINC000012594316 520539795 /nfs/dbraw/zinc/53/97/95/520539795.db2.gz MKAAFSDEXITBKK-HNNXBMFYSA-N 0 1 433.936 4.113 50 0 IIAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(OC)c1)C(c1ccccc1)=N2 ZINC000035372948 521584407 /nfs/dbraw/zinc/58/44/07/521584407.db2.gz RVURMXOSUKHJAI-UHFFFAOYSA-N 0 1 436.581 4.080 50 0 IIAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 ZINC000012522627 521698775 /nfs/dbraw/zinc/69/87/75/521698775.db2.gz QQTZYUKTELCTDF-SFHVURJKSA-N 0 1 440.975 4.012 50 0 IIAAMN COc1c(Br)cc(Cl)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000012881597 521776870 /nfs/dbraw/zinc/77/68/70/521776870.db2.gz PZDLQVNYCLYJJV-UHFFFAOYSA-N 0 1 444.690 4.018 50 0 IIAAMN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)no2)cc1 ZINC000021807505 523097885 /nfs/dbraw/zinc/09/78/85/523097885.db2.gz NARVUSJHELPTSF-HSZRJFAPSA-N 0 1 435.524 4.316 50 0 IIAAMN CCc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372647 523973855 /nfs/dbraw/zinc/97/38/55/523973855.db2.gz BKHBXSDOOYFVRT-UHFFFAOYSA-N 0 1 438.572 4.383 50 0 IIAAMN Cc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4cccc(C)c4C)[n-]c(=O)c3C2)cc1 ZINC000020467776 524475424 /nfs/dbraw/zinc/47/54/24/524475424.db2.gz KSOPTQQTIBHVAY-UHFFFAOYSA-N 0 1 448.592 4.397 50 0 IIAAMN Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4cccc(C)c4C)[n-]c(=O)c3C2)cc1 ZINC000020467776 524475431 /nfs/dbraw/zinc/47/54/31/524475431.db2.gz KSOPTQQTIBHVAY-UHFFFAOYSA-N 0 1 448.592 4.397 50 0 IIAAMN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2cc(C(C)C)[nH]n2)CC1 ZINC000012306815 524618043 /nfs/dbraw/zinc/61/80/43/524618043.db2.gz JSSAMKYXLZYUPL-UHFFFAOYSA-N 0 1 437.548 4.219 50 0 IIAAMN Cc1cccc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000022467414 524761934 /nfs/dbraw/zinc/76/19/34/524761934.db2.gz KUEMTKKUVLZVIY-AREMUKBSSA-N 0 1 430.592 4.450 50 0 IIAAMN C[C@H](NC(=O)[C@@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035869750 525157318 /nfs/dbraw/zinc/15/73/18/525157318.db2.gz DXJUHIVEXNDUNR-MAFNXUKGSA-N 0 1 425.576 4.427 50 0 IIAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000012791010 525227257 /nfs/dbraw/zinc/22/72/57/525227257.db2.gz LEWQIRJSLKBCEA-UHFFFAOYSA-N 0 1 431.583 4.235 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(OC(F)F)c(OC)c2)N2CCCCC2)cc1 ZINC000013145836 525359376 /nfs/dbraw/zinc/35/93/76/525359376.db2.gz ZZOWVJUVGOGEJQ-IBGZPJMESA-N 0 1 434.483 4.262 50 0 IIAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)n1C ZINC000021030168 525567796 /nfs/dbraw/zinc/56/77/96/525567796.db2.gz WMULMXFGMUUXEL-UHFFFAOYSA-N 0 1 437.993 4.277 50 0 IIAAMN C[C@H](Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)N1CCCC1 ZINC000012556936 525656772 /nfs/dbraw/zinc/65/67/72/525656772.db2.gz OTNDFLYNWFOQNZ-ZDUSSCGKSA-N 0 1 442.368 4.217 50 0 IIAAMN Cc1c(NC(=O)CN[C@@H](c2cccs2)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012749009 525836868 /nfs/dbraw/zinc/83/68/68/525836868.db2.gz GOVUNSUTMZIYJN-XMMPIXPASA-N 0 1 446.576 4.172 50 0 IIAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)C(=O)Nc3cccc(CC(F)(F)F)c3)[nH]c2c1 ZINC000078938472 526255963 /nfs/dbraw/zinc/25/59/63/526255963.db2.gz IAVUFBCLCJCPNT-GOSISDBHSA-N 0 1 430.430 4.278 50 0 IIAAMN Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000022804858 527055977 /nfs/dbraw/zinc/05/59/77/527055977.db2.gz SWYKRURKKJDBGJ-UHFFFAOYSA-N 0 1 445.592 4.205 50 0 IIAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1C(F)(F)F ZINC000020724992 527101375 /nfs/dbraw/zinc/10/13/75/527101375.db2.gz DYZVXPMGCIBNSU-CQSZACIVSA-N 0 1 435.793 4.139 50 0 IIAAMN Cc1nc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)cc2[nH]1 ZINC000012602120 527145613 /nfs/dbraw/zinc/14/56/13/527145613.db2.gz ASYMTADUJFOLDP-QHCPKHFHSA-N 0 1 428.492 4.348 50 0 IIAAMN O=C(Nc1ccnn1C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)OCO2 ZINC000012386413 527461135 /nfs/dbraw/zinc/46/11/35/527461135.db2.gz ZQRRPWLRRGPITB-UHFFFAOYSA-N 0 1 438.915 4.355 50 0 IIAAMN O=C(Nc1ccnn1C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)OCO2 ZINC000012711393 527461603 /nfs/dbraw/zinc/46/16/03/527461603.db2.gz OWAKNVWTDBCEIQ-UHFFFAOYSA-N 0 1 438.915 4.355 50 0 IIAAMN O[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023114565 527656145 /nfs/dbraw/zinc/65/61/45/527656145.db2.gz OYSWZDMFMLTMCJ-SCBMRQJBSA-N 0 1 438.534 4.174 50 0 IIAAMN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000657496 555525382 /nfs/dbraw/zinc/52/53/82/555525382.db2.gz IEBZGBIRUMIYIB-MDZDMXLPSA-N 0 1 449.319 4.236 50 0 IIAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000001032434 555606266 /nfs/dbraw/zinc/60/62/66/555606266.db2.gz ZIDDBLFPMZCRFZ-UHFFFAOYSA-N 0 1 426.494 4.409 50 0 IIAAMN CCc1ccc(-c2noc(CSc3nc4[nH]ncc4c(=O)n3-c3ccccc3)n2)cc1 ZINC000033292200 555743467 /nfs/dbraw/zinc/74/34/67/555743467.db2.gz ALBWTGVGQCGNTP-UHFFFAOYSA-N 0 1 430.493 4.014 50 0 IIAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)CC(C)C ZINC000034835057 555913897 /nfs/dbraw/zinc/91/38/97/555913897.db2.gz BKDJOOMQMNYEKX-NRFANRHFSA-N 0 1 439.648 4.496 50 0 IIAAMN COc1cccc(OC)c1OCCCCN1CCN(c2nsc3ccccc32)CC1 ZINC000013728948 556294525 /nfs/dbraw/zinc/29/45/25/556294525.db2.gz ZUZBFRTVUCRAAJ-UHFFFAOYSA-N 0 1 427.570 4.295 50 0 IIAAMN COc1ccc(Br)cc1CN1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000009933444 556316994 /nfs/dbraw/zinc/31/69/94/556316994.db2.gz WUESVFUGYXAONW-IBGZPJMESA-N 0 1 443.385 4.255 50 0 IIAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)c1 ZINC000013960116 556347397 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CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009408924 569530719 /nfs/dbraw/zinc/53/07/19/569530719.db2.gz YVQHLPVPRALHFC-KOSHJBKYSA-N 0 1 433.508 4.295 50 0 IIAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(Br)c1 ZINC000009409053 569530815 /nfs/dbraw/zinc/53/08/15/569530815.db2.gz LASAYSJIFNDHNA-HXUWFJFHSA-N 0 1 442.313 4.127 50 0 IIAAMN Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000009519337 569544233 /nfs/dbraw/zinc/54/42/33/569544233.db2.gz VJCLYYBQJSHJKV-UHFFFAOYSA-N 0 1 435.427 4.462 50 0 IIAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N1CCc2ccccc2C1 ZINC000009547290 569546350 /nfs/dbraw/zinc/54/63/50/569546350.db2.gz JYNJOCQTWGPVTG-UHFFFAOYSA-N 0 1 427.456 4.129 50 0 biogenic IIAAMN CC(C)[C@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCCO2 ZINC000009580768 569548808 /nfs/dbraw/zinc/54/88/08/569548808.db2.gz GUJVNJMTKIDAOW-NRFANRHFSA-N 0 1 438.553 4.239 50 0 IIAAMN COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3nc4ccccc4s3)nc21 ZINC000009604175 569551864 /nfs/dbraw/zinc/55/18/64/569551864.db2.gz QHGGEYKOBMSCTJ-UHFFFAOYSA-N 0 1 442.566 4.132 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)N2CCCC2)cc1 ZINC000009640813 569555489 /nfs/dbraw/zinc/55/54/89/569555489.db2.gz HTFTYUJXPOEPGS-RUZDIDTESA-N 0 1 430.552 4.325 50 0 IIAAMN COCCNC(=O)CSc1nc(-c2ccc(SC)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000009674154 569559054 /nfs/dbraw/zinc/55/90/54/569559054.db2.gz BWDNEPGVXWFECQ-UHFFFAOYSA-N 0 1 443.594 4.329 50 0 IIAAMN COCCCNC(=O)CSc1nc(-c2cccc(OC)c2)[nH]c1-c1ccc(F)cc1 ZINC000009674164 569559138 /nfs/dbraw/zinc/55/91/38/569559138.db2.gz PCJJDQOOLGTHCP-UHFFFAOYSA-N 0 1 429.517 4.136 50 0 IIAAMN CCOc1ccc(-c2cnc(NCc3ccc(OC)c(OC)c3OC)n2CCOC)cc1 ZINC000009720967 569563319 /nfs/dbraw/zinc/56/33/19/569563319.db2.gz DZTALPBJADTYLP-UHFFFAOYSA-N 0 1 441.528 4.233 50 0 IIAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(Cl)cn1 ZINC000009724489 569563691 /nfs/dbraw/zinc/56/36/91/569563691.db2.gz QTVJUTCXQYJTPC-VIFPVBQESA-N 0 1 438.738 4.402 50 0 IIAAMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000009762520 569566499 /nfs/dbraw/zinc/56/64/99/569566499.db2.gz BRQXJJUEGAISOI-QFIPXVFZSA-N 0 1 447.604 4.256 50 0 IIAAMN O=C(CN1CCC(c2c[nH]c3ccccc32)CC1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000010140718 569578130 /nfs/dbraw/zinc/57/81/30/569578130.db2.gz FAGCGBRCBXERBM-UHFFFAOYSA-N 0 1 434.931 4.220 50 0 IIAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000008610834 132288456 /nfs/dbraw/zinc/28/84/56/132288456.db2.gz OILQRHXNILLLMF-UHFFFAOYSA-N 0 1 445.592 4.029 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000009529551 132320646 /nfs/dbraw/zinc/32/06/46/132320646.db2.gz LDKWKXAMCBIVAW-UHFFFAOYSA-N 0 1 438.553 4.252 50 0 IIAAMN CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035907814 519714697 /nfs/dbraw/zinc/71/46/97/519714697.db2.gz LZQUGPRWUMASCB-IFMALSPDSA-N 0 1 431.502 4.093 50 0 IIAAMN CCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1OC ZINC000012554381 520295245 /nfs/dbraw/zinc/29/52/45/520295245.db2.gz QYOOMFSZQIFDMR-UHFFFAOYSA-N 0 1 431.964 4.450 50 0 IIAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccccc1)=N2 ZINC000035372730 521585137 /nfs/dbraw/zinc/58/51/37/521585137.db2.gz YFEMQNCULCGDRW-UHFFFAOYSA-N 0 1 442.535 4.350 50 0 IIAAMN CCN1CCN(c2c(C(=O)c3ccc(C)c(C)c3)cnc3cc(OC)c(OC)cc32)CC1 ZINC000021522522 521695741 /nfs/dbraw/zinc/69/57/41/521695741.db2.gz OTRYEMAHTJYAQR-UHFFFAOYSA-N 0 1 433.552 4.242 50 0 IIAAMN COCCc1ncc(CN2CCC[C@@H](C(=O)Nc3cccc(-c4cccc(C)c4)c3)C2)cn1 ZINC000012441175 522035277 /nfs/dbraw/zinc/03/52/77/522035277.db2.gz WQHCFAGHENURJQ-XMMPIXPASA-N 0 1 444.579 4.492 50 0 IIAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2F)c1 ZINC000020739709 522230103 /nfs/dbraw/zinc/23/01/03/522230103.db2.gz GVAKKDMZIAXDEK-LJQANCHMSA-N 0 1 428.851 4.168 50 0 IIAAMN COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000012630286 522756638 /nfs/dbraw/zinc/75/66/38/522756638.db2.gz ZLWDEBDLOYGIDR-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN COc1ccc(-c2nc(CN3CCCC[C@@H]3CCN3CCCC3=O)c(C)o2)c(OC)c1 ZINC000012711370 523201243 /nfs/dbraw/zinc/20/12/43/523201243.db2.gz OBISNQFKJDUNJH-GOSISDBHSA-N 0 1 427.545 4.034 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1Cl)C(c1ccccc1)=N2 ZINC000035372678 523787460 /nfs/dbraw/zinc/78/74/60/523787460.db2.gz BDWLNZAWEXQSNH-UHFFFAOYSA-N 0 1 426.973 4.335 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000017026597 523850531 /nfs/dbraw/zinc/85/05/31/523850531.db2.gz WGTPNUPFYQEKQC-UHFFFAOYSA-N 0 1 442.562 4.459 50 0 IIAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3ccc(SC)cc3)CC2)c(Cl)c1 ZINC000012301989 523926608 /nfs/dbraw/zinc/92/66/08/523926608.db2.gz XMZCADWMCFZWEB-UHFFFAOYSA-N 0 1 449.016 4.482 50 0 IIAAMN CN(C)CCN(C(=O)COc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000012140809 524058693 /nfs/dbraw/zinc/05/86/93/524058693.db2.gz IAEMRQYBMYZXQY-UHFFFAOYSA-N 0 1 434.359 4.032 50 0 IIAAMN COc1cccc([C@@H](CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)N(C)C)c1 ZINC000022683841 524096598 /nfs/dbraw/zinc/09/65/98/524096598.db2.gz NAKODHSKAXSKAP-JOCHJYFZSA-N 0 1 436.556 4.220 50 0 IIAAMN COc1ccccc1-c1cc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)n[nH]1 ZINC000042379957 524266308 /nfs/dbraw/zinc/26/63/08/524266308.db2.gz ONJGRLZHTGOUBE-CQSZACIVSA-N 0 1 435.509 4.217 50 0 IIAAMN COc1ccccc1N1CCN(C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000012537774 524557619 /nfs/dbraw/zinc/55/76/19/524557619.db2.gz YIMBZOACTGEHEX-CUBQBAPOSA-N 0 1 446.591 4.293 50 0 IIAAMN COc1ccc(NC(C)=O)cc1NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000020724158 524668096 /nfs/dbraw/zinc/66/80/96/524668096.db2.gz LDNNMZSKSGNBGD-UHFFFAOYSA-N 0 1 429.520 4.314 50 0 IIAAMN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1C ZINC000035844018 524928260 /nfs/dbraw/zinc/92/82/60/524928260.db2.gz FYLCRYPUYAAHSU-BJESRGMDSA-N 0 1 428.532 4.434 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)N2CCN(C)CC2)cc1 ZINC000022794448 525358429 /nfs/dbraw/zinc/35/84/29/525358429.db2.gz MWJBAWBMUQFSLL-SANMLTNESA-N 0 1 429.564 4.081 50 0 IIAAMN COc1ccc2c(c1)CCc1c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n[nH]c1-2 ZINC000021018348 525536061 /nfs/dbraw/zinc/53/60/61/525536061.db2.gz IHEYZXAZSQICMF-UHFFFAOYSA-N 0 1 436.943 4.108 50 0 IIAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(C)n1C ZINC000021154473 525573989 /nfs/dbraw/zinc/57/39/89/525573989.db2.gz XWASCIUSCHHQDF-UHFFFAOYSA-N 0 1 441.956 4.251 50 0 IIAAMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012789195 525787878 /nfs/dbraw/zinc/78/78/78/525787878.db2.gz AMLFNAWPGHQWGU-NRFANRHFSA-N 0 1 435.597 4.260 50 0 IIAAMN Cc1ccc2c(c1)[nH]c(C(=O)NCCN1CCN(C)CC1)c2Sc1ccc(Cl)cc1 ZINC000020466748 526215072 /nfs/dbraw/zinc/21/50/72/526215072.db2.gz DAKMZJZAZWRRLT-UHFFFAOYSA-N 0 1 443.016 4.258 50 0 IIAAMN O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N(CC1CC1)C[C@@H]1CCCO1 ZINC000012449256 526708279 /nfs/dbraw/zinc/70/82/79/526708279.db2.gz WQUCKELVKBYSBF-SANMLTNESA-N 0 1 449.595 4.156 50 0 IIAAMN O=C(NCc1ccccc1)C1CCN(Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000012525414 526732222 /nfs/dbraw/zinc/73/22/22/526732222.db2.gz OHBJNXBIYVXFPK-UHFFFAOYSA-N 0 1 430.524 4.337 50 0 IIAAMN Cc1ncc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cn1 ZINC000012306529 527253176 /nfs/dbraw/zinc/25/31/76/527253176.db2.gz OGCYLOZMBGLAJB-UHFFFAOYSA-N 0 1 426.524 4.179 50 0 IIAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc2c3ccccc3oc21 ZINC000012360283 527257284 /nfs/dbraw/zinc/25/72/84/527257284.db2.gz USIQBZCQDKDVJD-UHFFFAOYSA-N 0 1 444.472 4.429 50 0 IIAAMN OCC[C@H]1CN(Cc2nc(-c3ccc(F)cc3)cs2)CCN1CCc1ccccc1 ZINC000020778390 527573086 /nfs/dbraw/zinc/57/30/86/527573086.db2.gz HDLXGJPWWXCULE-QFIPXVFZSA-N 0 1 425.573 4.061 50 0 IIAAMN CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000000645493 555520448 /nfs/dbraw/zinc/52/04/48/555520448.db2.gz OTUMJFDBGYYBCE-UHFFFAOYSA-N 0 1 439.537 4.197 50 0 IIAAMN O=C1C(N2C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000001189380 555675486 /nfs/dbraw/zinc/67/54/86/555675486.db2.gz NKDLLUMNWOVTBB-WOJBJXKFSA-N 0 1 447.288 4.202 50 0 IIAAMN COc1ccccc1C(=O)Nc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1 ZINC000034681825 555815237 /nfs/dbraw/zinc/81/52/37/555815237.db2.gz QJPQUVGLYXPTSW-UHFFFAOYSA-N 0 1 434.515 4.194 50 0 IIAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(C)=O ZINC000034835309 555913884 /nfs/dbraw/zinc/91/38/84/555913884.db2.gz VWYAUCGRJMDPGU-UHFFFAOYSA-N 0 1 443.611 4.109 50 0 IIAAMN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000003635601 555942474 /nfs/dbraw/zinc/94/24/74/555942474.db2.gz OMMGZHIELVJMLH-UHFFFAOYSA-N 0 1 433.489 4.297 50 0 IIAAMN CCOC(=O)C1C(COc2ccc(F)cc2Cl)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008829931 556225124 /nfs/dbraw/zinc/22/51/24/556225124.db2.gz ZWJGFHOKMUWIOU-HXUWFJFHSA-N 0 1 432.879 4.346 50 0 IIAAMN Cc1ccc([C@@H]2N=C(N3CCC(Cc4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009287499 556272154 /nfs/dbraw/zinc/27/21/54/556272154.db2.gz QOADTGNUCNDQGG-XMMPIXPASA-N 0 1 427.552 4.143 50 0 IIAAMN C[C@@]1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)OCc2ccccc2-n2cccc21 ZINC000013813280 556313489 /nfs/dbraw/zinc/31/34/89/556313489.db2.gz HTGCJAAPDHZCHL-SANMLTNESA-N 0 1 428.536 4.203 50 0 in-man IIAAMN O=C(c1cn(CCCc2ccccc2)nn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000011663578 556344763 /nfs/dbraw/zinc/34/47/63/556344763.db2.gz OPGMAAKXJDEGRI-JOCHJYFZSA-N 0 1 432.503 4.294 50 0 IIAAMN COc1cccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)c3cc4ccccc4oc3=O)C2)c1 ZINC000011911852 556375237 /nfs/dbraw/zinc/37/52/37/556375237.db2.gz ZMKKQFJWGFUNNE-SFHVURJKSA-N 0 1 429.476 4.212 50 0 IIAAMN COc1cccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)c1OC ZINC000012028686 556388184 /nfs/dbraw/zinc/38/81/84/556388184.db2.gz XTRQHCPBISGDOV-REIDKSKDSA-N 0 1 426.944 4.295 50 0 IIAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000012075951 556397550 /nfs/dbraw/zinc/39/75/50/556397550.db2.gz OJXKQCJWSXNCLH-UHFFFAOYSA-N 0 1 427.541 4.100 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)N2CCCCC2)cc1 ZINC000072283541 556474382 /nfs/dbraw/zinc/47/43/82/556474382.db2.gz YQXGVISXUIQIJT-RUZDIDTESA-N 0 1 445.563 4.316 50 0 IIAAMN COc1ccc2cc(CN(C)C(=O)CN3CCC([C@@H](O)c4ccccc4)CC3)ccc2c1 ZINC000029478377 556476228 /nfs/dbraw/zinc/47/62/28/556476228.db2.gz WJORFSWCTKRJTQ-MHZLTWQESA-N 0 1 432.564 4.252 50 0 IIAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000013303169 556501976 /nfs/dbraw/zinc/50/19/76/556501976.db2.gz HYPWKTXERRMWKD-DEOSSOPVSA-N 0 1 446.503 4.236 50 0 IIAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1c(OCc2ccccc2)ccc2ccccc21 ZINC000013303173 556501988 /nfs/dbraw/zinc/50/19/88/556501988.db2.gz HYPWKTXERRMWKD-XMMPIXPASA-N 0 1 446.503 4.236 50 0 IIAAMN COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1N1CCCC1=O)N1CCCC1 ZINC000032902424 556536214 /nfs/dbraw/zinc/53/62/14/556536214.db2.gz WQDNEHHASUEPEX-NRFANRHFSA-N 0 1 441.959 4.042 50 0 IIAAMN O=C(c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1)N1CCCC1 ZINC000032908971 556566332 /nfs/dbraw/zinc/56/63/32/556566332.db2.gz XQYQLMLEWXTKSD-UHFFFAOYSA-N 0 1 426.564 4.229 50 0 IIAAMN COc1ccc(Br)cc1CN(C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000016044066 556578623 /nfs/dbraw/zinc/57/86/23/556578623.db2.gz UTYSQDNUTFAYOB-DENIHFKCSA-N 0 1 434.374 4.345 50 0 IIAAMN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034867718 556584676 /nfs/dbraw/zinc/58/46/76/556584676.db2.gz KELYDPDZFFHFEC-HOTGVXAUSA-N 0 1 430.346 4.127 50 0 IIAAMN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c(C)c1 ZINC000046009500 556690908 /nfs/dbraw/zinc/69/09/08/556690908.db2.gz ILHFKRGEQPIROF-UHFFFAOYSA-N 0 1 437.521 4.087 50 0 IIAAMN Cc1cc(C)c(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)[nH]1 ZINC000055254021 556738978 /nfs/dbraw/zinc/73/89/78/556738978.db2.gz SUPRIRAIXCXYRE-HXUWFJFHSA-N 0 1 434.506 4.077 50 0 IIAAMN Cc1ccccc1CCNC(=O)[C@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071351 556851910 /nfs/dbraw/zinc/85/19/10/556851910.db2.gz AHYXYOKJIIBBDU-KRWDZBQOSA-N 0 1 441.373 4.209 50 0 IIAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000019834837 556927742 /nfs/dbraw/zinc/92/77/42/556927742.db2.gz AOBGTIZKLWMBBF-UHFFFAOYSA-N 0 1 444.579 4.205 50 0 IIAAMN COc1cc(Br)ccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)Nc2ncnn21 ZINC000020134433 556988218 /nfs/dbraw/zinc/98/82/18/556988218.db2.gz YDIXNLHJFVTUJE-GOSISDBHSA-N 0 1 447.333 4.214 50 0 IIAAMN CN(CCc1nc2ccc(F)cc2[nH]1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000020205243 556997997 /nfs/dbraw/zinc/99/79/97/556997997.db2.gz OHDPWKHDIROIBP-UHFFFAOYSA-N 0 1 445.454 4.132 50 0 IIAAMN COc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 ZINC000023119192 557007087 /nfs/dbraw/zinc/00/70/87/557007087.db2.gz VZBYAMUJFBDKGJ-NRFANRHFSA-N 0 1 435.501 4.335 50 0 IIAAMN Cc1nc(-c2ccccc2Cl)sc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000020426540 557015543 /nfs/dbraw/zinc/01/55/43/557015543.db2.gz LTJNQJGJLKDWOZ-UHFFFAOYSA-N 0 1 447.048 4.452 50 0 IIAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 ZINC000023055440 557060854 /nfs/dbraw/zinc/06/08/54/557060854.db2.gz RWJHZONSCHATCA-RUZDIDTESA-N 0 1 437.584 4.083 50 0 IIAAMN CCOC(=O)N1CCC(N[C@H]2c3ccccc3C(=O)N2[C@H]2CCCc3ccccc32)CC1 ZINC000023343402 557086358 /nfs/dbraw/zinc/08/63/58/557086358.db2.gz NZUJISDYZJEZAV-BJKOFHAPSA-N 0 1 433.552 4.429 50 0 IIAAMN C[C@@H](NCC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000049580915 557115913 /nfs/dbraw/zinc/11/59/13/557115913.db2.gz ZIZYJPLYVMKBJL-HXUWFJFHSA-N 0 1 430.548 4.447 50 0 IIAAMN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000024927349 557180545 /nfs/dbraw/zinc/18/05/45/557180545.db2.gz NPMPVHZIZHKUFW-UZUQRXQVSA-N 0 1 428.492 4.083 50 0 IIAAMN COc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000100893519 557198902 /nfs/dbraw/zinc/19/89/02/557198902.db2.gz AUDKUVXUPSRQDI-SMIHKQSGSA-N 0 1 428.488 4.363 50 0 IIAAMN COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000100935304 557202676 /nfs/dbraw/zinc/20/26/76/557202676.db2.gz RHSRUBXZYIKUKT-SMIHKQSGSA-N 0 1 428.488 4.363 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ncccc3C)ccc2Cl)cc1 ZINC000027651599 557268588 /nfs/dbraw/zinc/26/85/88/557268588.db2.gz AUJMYBXPZZXXTQ-UHFFFAOYSA-N 0 1 431.901 4.105 50 0 IIAAMN Cc1nc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)sc1C(=O)NCc1ccccc1 ZINC000101505507 557290245 /nfs/dbraw/zinc/29/02/45/557290245.db2.gz FSHSOXDKNJBCKS-UHFFFAOYSA-N 0 1 432.549 4.480 50 0 IIAAMN CCSCCNC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000023324119 557297742 /nfs/dbraw/zinc/29/77/42/557297742.db2.gz ARFGTYWXXKVSRK-UHFFFAOYSA-N 0 1 434.609 4.040 50 0 IIAAMN COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)N2CCN(CC(C)C)CC2)cc1 ZINC000023336862 557349154 /nfs/dbraw/zinc/34/91/54/557349154.db2.gz OMEJDBLMIZVJBJ-UHFFFAOYSA-N 0 1 444.579 4.265 50 0 IIAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N4CCN(CC(C)C)CC4)cc3)n[nH]c1-2 ZINC000023336862 557349158 /nfs/dbraw/zinc/34/91/58/557349158.db2.gz OMEJDBLMIZVJBJ-UHFFFAOYSA-N 0 1 444.579 4.265 50 0 IIAAMN O=C(COc1coc(CN2CCCCCC2)cc1=O)Nc1ccc(Cl)cc1Cl ZINC000072405226 557397044 /nfs/dbraw/zinc/39/70/44/557397044.db2.gz KKHAYBNZQBHAFN-UHFFFAOYSA-N 0 1 425.312 4.340 50 0 IIAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102861331 557402228 /nfs/dbraw/zinc/40/22/28/557402228.db2.gz IUBITZYLXRRGMJ-YPAWHYETSA-N 0 1 434.879 4.400 50 0 IIAAMN c1ccc(CN2CCN(c3nnc(-c4ccccc4)n3CCOc3ccccc3)CC2)cc1 ZINC000408524865 557413903 /nfs/dbraw/zinc/41/39/03/557413903.db2.gz UJBLWRKKCUQUHR-UHFFFAOYSA-N 0 1 439.563 4.346 50 0 IIAAMN O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000104915053 557464764 /nfs/dbraw/zinc/46/47/64/557464764.db2.gz SMPKGLFKYJDAAJ-VPUSJEBWSA-N 0 1 443.566 4.048 50 0 IIAAMN Cc1ccc(Sc2cc3c(cc2NS(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1 ZINC000045941123 557549502 /nfs/dbraw/zinc/54/95/02/557549502.db2.gz GXRXAAZFNRXLSL-UHFFFAOYSA-N 0 1 439.562 4.137 50 0 IIAAMN O=C([O-])C[N@@H+](CCNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000685944944 557839208 /nfs/dbraw/zinc/83/92/08/557839208.db2.gz KITHEXDWTAYFFT-UHFFFAOYSA-N 0 1 430.504 4.112 50 0 IIAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)c1 ZINC000006023399 562945921 /nfs/dbraw/zinc/94/59/21/562945921.db2.gz FTYHFZDHQIKOPL-UHFFFAOYSA-N 0 1 433.489 4.048 50 0 IIAAMN COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000008595041 562953266 /nfs/dbraw/zinc/95/32/66/562953266.db2.gz OUCUUZYCWPDSPW-HXUWFJFHSA-N 0 1 437.565 4.448 50 0 IIAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccc4)CC3)c(C)o2)cc1OC ZINC000008597355 562953999 /nfs/dbraw/zinc/95/39/99/562953999.db2.gz XMSALHBUSLAOKZ-UHFFFAOYSA-N 0 1 449.551 4.196 50 0 IIAAMN Cc1[nH]c(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)nc1Cc1ccccc1 ZINC000009126475 562967511 /nfs/dbraw/zinc/96/75/11/562967511.db2.gz QVPYGWCDSOOXHU-UHFFFAOYSA-N 0 1 449.985 4.097 50 0 IIAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982844 568623118 /nfs/dbraw/zinc/62/31/18/568623118.db2.gz GSEQSROAANZUGX-CLJLJLNGSA-N 0 1 448.538 4.399 50 0 IIAAMN O[C@H](COc1ccc2c(c1)CCC2)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000001153402 568663291 /nfs/dbraw/zinc/66/32/91/568663291.db2.gz ZPOCRGWTEAMRMZ-MHZLTWQESA-N 0 1 442.603 4.322 50 0 IIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccncc2)cc1OC ZINC000263586327 568759484 /nfs/dbraw/zinc/75/94/84/568759484.db2.gz SQUPEJGTRNFCLU-HNNXBMFYSA-N 0 1 445.427 4.019 50 0 biogenic IIAAMN COc1cc2c(cc1OC)[C@@H](OC(=O)Nc1ccc(C)cc1)C[C@H]2NC(=O)C(F)(F)F ZINC000001399329 568785920 /nfs/dbraw/zinc/78/59/20/568785920.db2.gz BUJVQXCEDZBTOO-CVEARBPZSA-N 0 1 438.402 4.425 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001401710 568786444 /nfs/dbraw/zinc/78/64/44/568786444.db2.gz BTNVUFDHWHKPGG-UHFFFAOYSA-N 0 1 431.823 4.354 50 0 IIAAMN Cc1cc(Br)c(O)c(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000084074614 568791610 /nfs/dbraw/zinc/79/16/10/568791610.db2.gz TXTOYLAULFWKMI-UHFFFAOYSA-N 0 1 429.767 4.136 50 0 IIAAMN CCOC(=O)C1=C(CNc2cccc3cccnc32)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001422885 568793404 /nfs/dbraw/zinc/79/34/04/568793404.db2.gz RCYGTQUCXUQNMC-HSZRJFAPSA-N 0 1 430.508 4.135 50 0 IIAAMN CCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n[nH]2)cc1 ZINC000015721718 568812122 /nfs/dbraw/zinc/81/21/22/568812122.db2.gz SIIJQCFCBRLDPM-UHFFFAOYSA-N 0 1 444.457 4.457 50 0 IIAAMN Cc1cccc(-c2n[nH]c(SCc3cc(=O)n4nc(-c5ccccc5)sc4n3)n2)c1 ZINC000015731912 568815024 /nfs/dbraw/zinc/81/50/24/568815024.db2.gz FDTLFSYYFWDDOS-UHFFFAOYSA-N 0 1 432.534 4.204 50 0 IIAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)c(F)c2F)cc1 ZINC000006146420 568846020 /nfs/dbraw/zinc/84/60/20/568846020.db2.gz GKXOXDWTWSUCMR-UHFFFAOYSA-N 0 1 436.411 4.166 50 0 IIAAMN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006146998 568846227 /nfs/dbraw/zinc/84/62/27/568846227.db2.gz URGUFGXEGWGJKL-UHFFFAOYSA-N 0 1 430.869 4.122 50 0 IIAAMN C[N@H+]1CCC[C@H](COC(=O)c2ccc(CNC(N)=O)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000240333494 568911918 /nfs/dbraw/zinc/91/19/18/568911918.db2.gz FDPGNVYSDLXEBN-UYAOXDASSA-N 0 1 449.473 4.114 50 0 IIAAMN Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1C ZINC000245309747 568914401 /nfs/dbraw/zinc/91/44/01/568914401.db2.gz FYLCRYPUYAAHSU-GSPCLOLRSA-N 0 1 428.532 4.434 50 0 IIAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146956 568962780 /nfs/dbraw/zinc/96/27/80/568962780.db2.gz HUUSDDMAXNKQPA-JYFHCDHNSA-N 0 1 446.547 4.130 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC ZINC000036304573 568994752 /nfs/dbraw/zinc/99/47/52/568994752.db2.gz OPECBSGEDFWDRE-OAQYLSRUSA-N 0 1 439.556 4.201 50 0 IIAAMN Cc1nc(-c2ccccc2)nc(N2CCN(CC(C)(C)O)CC2)c1Cc1ccccc1F ZINC000036316569 568999632 /nfs/dbraw/zinc/99/96/32/568999632.db2.gz SMZZIWQOXHXVDY-UHFFFAOYSA-N 0 1 434.559 4.075 50 0 IIAAMN CC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340392 569078707 /nfs/dbraw/zinc/07/87/07/569078707.db2.gz USPCUGPDMKJPEC-QFIPXVFZSA-N 0 1 434.559 4.075 50 0 IIAAMN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036344182 569080107 /nfs/dbraw/zinc/08/01/07/569080107.db2.gz KMIMKWUCTJFIOD-QHCPKHFHSA-N 0 1 439.531 4.253 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010418 569088119 /nfs/dbraw/zinc/08/81/19/569088119.db2.gz NNHDWNDBVXEWDR-UHFFFAOYSA-N 0 1 442.537 4.403 50 0 IIAAMN COc1ccc([C@@H](NCc2ccc(OC)nc2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606804 569144555 /nfs/dbraw/zinc/14/45/55/569144555.db2.gz VBUBCNLMYHSBJS-IFMALSPDSA-N 0 1 427.545 4.329 50 0 IIAAMN CN(C(=O)OC(C)(C)C)[C@@]1(c2ccccc2Cl)CCCC[C@@H]1NCc1nncn1C ZINC000170606813 569144652 /nfs/dbraw/zinc/14/46/52/569144652.db2.gz CBIBEWORTBLNID-PGRDOPGGSA-N 0 1 433.984 4.263 50 0 IIAAMN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cccc(OC)c3)CC2)n[nH]1 ZINC000071009426 569149223 /nfs/dbraw/zinc/14/92/23/569149223.db2.gz GOHXFCUCRVPYOV-UHFFFAOYSA-N 0 1 434.540 4.227 50 0 IIAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)c1 ZINC000017144080 569174604 /nfs/dbraw/zinc/17/46/04/569174604.db2.gz JFIQAHGENUCAAO-UHFFFAOYSA-N 0 1 429.523 4.189 50 0 IIAAMN O[C@@H](COc1cccc2ccccc21)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017201198 569176023 /nfs/dbraw/zinc/17/60/23/569176023.db2.gz JFITTYXWDMGSKS-OAQYLSRUSA-N 0 1 430.470 4.421 50 0 IIAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)N1CCCC(C)(C)C1 ZINC000002309842 569272123 /nfs/dbraw/zinc/27/21/23/569272123.db2.gz SMACRVBEYMLSPN-GFCCVEGCSA-N 0 1 436.350 4.166 50 0 IIAAMN Cc1nc(-c2ccc(C)c(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c2)cs1 ZINC000013358079 569313753 /nfs/dbraw/zinc/31/37/53/569313753.db2.gz ZSLNJFQAQKDBAX-UHFFFAOYSA-N 0 1 441.622 4.370 50 0 IIAAMN O=S(=O)(Nc1ccc(-n2ccnc2)c(F)c1)c1cnc2onc(-c3ccccc3)c2c1 ZINC000328594614 569317706 /nfs/dbraw/zinc/31/77/06/569317706.db2.gz YZPSCNNBJVZAAP-UHFFFAOYSA-N 0 1 435.440 4.015 50 0 IIAAMN C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000095348913 569361649 /nfs/dbraw/zinc/36/16/49/569361649.db2.gz WPSDIQQDGGFJGF-LVXARBLLSA-N 0 1 430.596 4.059 50 0 IIAAMN C[C@H](Cc1ccc2ccccc2c1)NC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000095348914 569361665 /nfs/dbraw/zinc/36/16/65/569361665.db2.gz WPSDIQQDGGFJGF-RLWLMLJZSA-N 0 1 430.596 4.059 50 0 IIAAMN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000095454893 569368354 /nfs/dbraw/zinc/36/83/54/569368354.db2.gz MXASZZPHVRUHCE-HXUWFJFHSA-N 0 1 430.512 4.077 50 0 IIAAMN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000095454893 569368355 /nfs/dbraw/zinc/36/83/55/569368355.db2.gz MXASZZPHVRUHCE-HXUWFJFHSA-N 0 1 430.512 4.077 50 0 IIAAMN COc1ccccc1CNC(=O)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000020643768 569374909 /nfs/dbraw/zinc/37/49/09/569374909.db2.gz ZATHPCFEGWGHPH-UHFFFAOYSA-N 0 1 437.565 4.190 50 0 IIAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000096116379 569383650 /nfs/dbraw/zinc/38/36/50/569383650.db2.gz BDKMMHQEDRPGOX-HNNXBMFYSA-N 0 1 444.395 4.041 50 0 biogenic IIAAMN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000096300319 569392068 /nfs/dbraw/zinc/39/20/68/569392068.db2.gz OAFCMBTWSKINQK-IAPPQJPRSA-N 0 1 436.559 4.343 50 0 biogenic IIAAMN COc1ccc(CN(C(=O)CSc2nc(C=Cc3ccc(F)cc3)n[nH]2)C2CC2)cc1 ZINC000096939480 569402648 /nfs/dbraw/zinc/40/26/48/569402648.db2.gz BYZAOLPHVKJMBO-MLPAPPSSSA-N 0 1 438.528 4.406 50 0 IIAAMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)cc1C ZINC000057997126 569444382 /nfs/dbraw/zinc/44/43/82/569444382.db2.gz BPXQWDFFCMMNMR-FQEVSTJZSA-N 0 1 443.613 4.099 50 0 IIAAMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2)cc1C ZINC000057997126 569444383 /nfs/dbraw/zinc/44/43/83/569444383.db2.gz BPXQWDFFCMMNMR-FQEVSTJZSA-N 0 1 443.613 4.099 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)N2CCCCC2)cc1 ZINC000008709658 569470825 /nfs/dbraw/zinc/47/08/25/569470825.db2.gz PSFVOJGTKKJOHC-AREMUKBSSA-N 0 1 446.595 4.384 50 0 IIAAMN CCCN1C(=O)N=NC1SCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000008734521 569472600 /nfs/dbraw/zinc/47/26/00/569472600.db2.gz GABTYIKTRTTZLH-UHFFFAOYSA-N 0 1 433.946 4.304 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840652 569478312 /nfs/dbraw/zinc/47/83/12/569478312.db2.gz WBXDRCFIWFJKTD-UHFFFAOYSA-N 0 1 436.533 4.284 50 0 IIAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)c1 ZINC000008845146 569478746 /nfs/dbraw/zinc/47/87/46/569478746.db2.gz HODPBIASVKENHD-DEOSSOPVSA-N 0 1 426.476 4.321 50 0 IIAAMN COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000008935894 569488009 /nfs/dbraw/zinc/48/80/09/569488009.db2.gz LIJDGSYARNVOKK-UHFFFAOYSA-N 0 1 437.550 4.262 50 0 IIAAMN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008939563 569488316 /nfs/dbraw/zinc/48/83/16/569488316.db2.gz HWAHFMOOZCAWFA-IRXDYDNUSA-N 0 1 434.565 4.240 50 0 IIAAMN CN1CCN(c2ccc(NC(=O)c3cccc(OC(F)F)c3)c(C(F)(F)F)c2)CC1 ZINC000040142762 569491891 /nfs/dbraw/zinc/49/18/91/569491891.db2.gz ZXCKCHFDVQSVFI-UHFFFAOYSA-N 0 1 429.389 4.311 50 0 IIAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042178 569497723 /nfs/dbraw/zinc/49/77/23/569497723.db2.gz VPBLXOLTDCARML-SDWUMEBZSA-N 0 1 439.943 4.236 50 0 IIAAMN CCCCC(=O)N[C@](Nc1nc2cc(C)c(C)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009108794 569501899 /nfs/dbraw/zinc/50/18/99/569501899.db2.gz DZSZDGOUOKJUSK-SFHVURJKSA-N 0 1 431.480 4.453 50 0 IIAAMN CCc1ccc(NS(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1 ZINC000040450600 569506326 /nfs/dbraw/zinc/50/63/26/569506326.db2.gz QYGAPIAQMOAKGR-LBPRGKRZSA-N 0 1 437.359 4.110 50 0 IIAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000040454585 569506497 /nfs/dbraw/zinc/50/64/97/569506497.db2.gz MHSWRPZLTAVXMO-UHFFFAOYSA-N 0 1 437.359 4.166 50 0 IIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1 ZINC000009152539 569507798 /nfs/dbraw/zinc/50/77/98/569507798.db2.gz VRMMNZRRROHBGS-ZDUSSCGKSA-N 0 1 434.945 4.227 50 0 IIAAMN Cc1ccc2nc(SCC(=O)N(C)c3ccccc3C(=O)NCc3ccco3)[nH]c2c1 ZINC000009367307 569526467 /nfs/dbraw/zinc/52/64/67/569526467.db2.gz OENZBWHWJVGOFL-UHFFFAOYSA-N 0 1 434.521 4.149 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2cnc3c(cnn3C3CCCC3)c2)N2CCCC2)cc1 ZINC000070019655 569528824 /nfs/dbraw/zinc/52/88/24/569528824.db2.gz NZSZZCPZXFHXLY-HSZRJFAPSA-N 0 1 433.556 4.122 50 0 IIAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)n2)cc1 ZINC000009464436 569537638 /nfs/dbraw/zinc/53/76/38/569537638.db2.gz KKPNBCGPCDJBPA-UHFFFAOYSA-N 0 1 449.580 4.437 50 0 IIAAMN CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1Cl ZINC000009536172 569545546 /nfs/dbraw/zinc/54/55/46/569545546.db2.gz XKKKPDRIWWKYJO-LIRRHRJNSA-N 0 1 430.936 4.264 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2cc(Cl)c3c(c2)OCCO3)N2CCCCC2)cc1 ZINC000009712516 569562343 /nfs/dbraw/zinc/56/23/43/569562343.db2.gz NANBWOMSAAVKCO-HXUWFJFHSA-N 0 1 430.932 4.077 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3sccc3C2)ccc1C ZINC000009896651 569573015 /nfs/dbraw/zinc/57/30/15/569573015.db2.gz TYARBWNIDISWGF-UHFFFAOYSA-N 0 1 442.562 4.064 50 0 IIAAMN Cc1ccc(Cl)cc1N1CCN(CCCNc2nc(-c3ccccc3F)no2)CC1 ZINC000009726824 132327767 /nfs/dbraw/zinc/32/77/67/132327767.db2.gz WJIDOHOLLLYMLF-UHFFFAOYSA-N 0 1 429.927 4.462 50 0 IIAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000009959192 132332841 /nfs/dbraw/zinc/33/28/41/132332841.db2.gz CJXNEHNLJLFTJV-UHFFFAOYSA-N 0 1 436.339 4.159 50 0 IIAAMN CC(C)(C)c1nc2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)NC4CC4)c3)cc2[nH]1 ZINC000012535843 519106902 /nfs/dbraw/zinc/10/69/02/519106902.db2.gz ATZOORSEDVISPP-UHFFFAOYSA-N 0 1 446.960 4.207 50 0 IIAAMN CC(C)CNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035907813 519741149 /nfs/dbraw/zinc/74/11/49/519741149.db2.gz LPXDQHXXBPITLN-JTHBVZDNSA-N 0 1 445.529 4.341 50 0 IIAAMN CCOC(=O)C1C(CN2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560316 520512794 /nfs/dbraw/zinc/51/27/94/520512794.db2.gz CFYSQFVGGMADQS-ZJSXRUAMSA-N 0 1 433.552 4.046 50 0 IIAAMN CCOC(=O)C1=C(CN2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560316 520512799 /nfs/dbraw/zinc/51/27/99/520512799.db2.gz CFYSQFVGGMADQS-ZJSXRUAMSA-N 0 1 433.552 4.046 50 0 IIAAMN CCN1CCN(Cc2nc3cc(NC(=O)c4ccccc4OC)ccc3n2C(C)C)CC1 ZINC000020608875 521689555 /nfs/dbraw/zinc/68/95/55/521689555.db2.gz VQUNYSKYHYPUBR-UHFFFAOYSA-N 0 1 435.572 4.016 50 0 IIAAMN COc1cc(C(=O)N(CCN(C)C)c2nc3cc(C)c(C)cc3s2)cc(OC)c1OC ZINC000012342344 522062987 /nfs/dbraw/zinc/06/29/87/522062987.db2.gz LWAQJUAXBMBQFK-UHFFFAOYSA-N 0 1 443.569 4.147 50 0 IIAAMN CCc1nc2sc([C@@H](c3cccc(C)c3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854717 522537409 /nfs/dbraw/zinc/53/74/09/522537409.db2.gz SAIHMYVPWARTBN-JOCHJYFZSA-N 0 1 447.608 4.274 50 0 IIAAMN COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCN(C3CCCCC3)CC2)no1 ZINC000012756858 522560733 /nfs/dbraw/zinc/56/07/33/522560733.db2.gz JFOPDDVTKBFGIU-UHFFFAOYSA-N 0 1 433.936 4.006 50 0 IIAAMN COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)ccc1OCC(C)C ZINC000020729197 522961351 /nfs/dbraw/zinc/96/13/51/522961351.db2.gz IQEROTFYLUVWGP-OAHLLOKOSA-N 0 1 447.499 4.014 50 0 IIAAMN COc1cc2cc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)[nH]c2c(OC)c1 ZINC000012900480 523057014 /nfs/dbraw/zinc/05/70/14/523057014.db2.gz SUNZGKVPQPRTTR-UHFFFAOYSA-N 0 1 427.932 4.233 50 0 IIAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCc3cccnc3)c3ccccc3)n2)cc1 ZINC000012139667 523177329 /nfs/dbraw/zinc/17/73/29/523177329.db2.gz XCKNFUCPAJYCTD-NRFANRHFSA-N 0 1 445.548 4.415 50 0 IIAAMN COc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(F)c1 ZINC000012708512 524025448 /nfs/dbraw/zinc/02/54/48/524025448.db2.gz CWESQXROJNWEJL-UHFFFAOYSA-N 0 1 426.467 4.259 50 0 IIAAMN Cc1cccc(C(=O)N(C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000012584468 524165100 /nfs/dbraw/zinc/16/51/00/524165100.db2.gz KTFDRRVXGGXCSB-QFIPXVFZSA-N 0 1 425.548 4.063 50 0 IIAAMN C[C@@H](C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)N1C(=O)COc2ccccc21 ZINC000021886301 524264270 /nfs/dbraw/zinc/26/42/70/524264270.db2.gz KHGMMWCKEGSIEC-KRWDZBQOSA-N 0 1 440.503 4.101 50 0 IIAAMN COc1ccccc1-n1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cn1 ZINC000012759705 524303431 /nfs/dbraw/zinc/30/34/31/524303431.db2.gz ZCDNLBXMJAWGQF-DEOSSOPVSA-N 0 1 425.960 4.352 50 0 IIAAMN COc1ccccc1NC(=O)[C@@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021822147 524619469 /nfs/dbraw/zinc/61/94/69/524619469.db2.gz QGGANMVEVKKFNE-OAQYLSRUSA-N 0 1 429.564 4.429 50 0 IIAAMN COc1ccc(S(=O)(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1NC(C)=O ZINC000012536089 525081451 /nfs/dbraw/zinc/08/14/51/525081451.db2.gz LZTLOQFGIAZHPD-UHFFFAOYSA-N 0 1 440.477 4.362 50 0 IIAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000012598778 525242352 /nfs/dbraw/zinc/24/23/52/525242352.db2.gz ALCLWRIVYOZOHR-NRFANRHFSA-N 0 1 439.947 4.485 50 0 IIAAMN O=C(CCN1CCN(C/C=C\c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000022032060 526488591 /nfs/dbraw/zinc/48/85/91/526488591.db2.gz NZDYPGNMQAEZQV-DAXSKMNVSA-N 0 1 428.374 4.109 50 0 IIAAMN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000012748008 526578968 /nfs/dbraw/zinc/57/89/68/526578968.db2.gz XUKYCRUNNAAXHH-HXUWFJFHSA-N 0 1 446.016 4.207 50 0 IIAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(n2c3ncccc3nc2[C@H]2CCCO2)CC1 ZINC000012218603 526589612 /nfs/dbraw/zinc/58/96/12/526589612.db2.gz DVLKZWDKSILKFL-JOCHJYFZSA-N 0 1 442.523 4.150 50 0 IIAAMN O=C(CCc1ccncc1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012434627 526624616 /nfs/dbraw/zinc/62/46/16/526624616.db2.gz UKSDUTOMZOHPPD-DEOSSOPVSA-N 0 1 439.575 4.073 50 0 IIAAMN O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000021886319 526913483 /nfs/dbraw/zinc/91/34/83/526913483.db2.gz ZVOJKXNIYXJVDS-UHFFFAOYSA-N 0 1 429.911 4.417 50 0 IIAAMN O=C(COc1ccc(Br)cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000021971781 526946867 /nfs/dbraw/zinc/94/68/67/526946867.db2.gz ITYZMLUWZBGOAO-UHFFFAOYSA-N 0 1 437.765 4.262 50 0 IIAAMN O=S(=O)(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc2c(c1)OCCCO2 ZINC000022609020 527246542 /nfs/dbraw/zinc/24/65/42/527246542.db2.gz MTFSEDSGDARYGF-UHFFFAOYSA-N 0 1 437.823 4.243 50 0 IIAAMN O=C(Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1)C1CC1 ZINC000012526187 527362635 /nfs/dbraw/zinc/36/26/35/527362635.db2.gz GDUPWZPSELWKKH-UHFFFAOYSA-N 0 1 429.723 4.252 50 0 IIAAMN CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CCN(CC)CC1 ZINC000013584475 535671462 /nfs/dbraw/zinc/67/14/62/535671462.db2.gz GMYSOIARCOSTDT-UHFFFAOYSA-N 0 1 439.585 4.370 50 0 IIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NCc4cccs4)ccc3n2)CC1 ZINC000004791351 535742309 /nfs/dbraw/zinc/74/23/09/535742309.db2.gz VICOGONLSDWDJI-UHFFFAOYSA-N 0 1 425.627 4.233 50 0 IIAAMN CCN1CCN(c2ccccc2NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000009783189 535754334 /nfs/dbraw/zinc/75/43/34/535754334.db2.gz GAQJOFCKRPEAQE-UHFFFAOYSA-N 0 1 443.547 4.077 50 0 IIAAMN C[C@@H](C(=O)NCc1ccccc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034684526 555820195 /nfs/dbraw/zinc/82/01/95/555820195.db2.gz ZXBBEKBKPCHEAP-NRFANRHFSA-N 0 1 431.555 4.238 50 0 IIAAMN COc1ccc(OC)c(-c2[nH]nc(C3CCOCC3)c2NC(=O)c2ccccc2F)c1 ZINC000034794169 555917182 /nfs/dbraw/zinc/91/71/82/555917182.db2.gz FVJSWNXYWOOEBP-UHFFFAOYSA-N 0 1 425.460 4.379 50 0 IIAAMN O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NC1CCCCCC1 ZINC000002973733 556152538 /nfs/dbraw/zinc/15/25/38/556152538.db2.gz SDRCDUCLEQXTEB-UHFFFAOYSA-N 0 1 438.391 4.441 50 0 IIAAMN Cc1ccc(-c2n[nH]c(SCC(=O)CSc3n[nH]c(-c4ccc(C)cc4)n3)n2)cc1 ZINC000008427399 556169600 /nfs/dbraw/zinc/16/96/00/556169600.db2.gz OOKVTNPYFVPVCU-UHFFFAOYSA-N 0 1 436.566 4.327 50 0 IIAAMN O=C(CCc1ccc2c(c1)OCO2)N1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011815220 556358451 /nfs/dbraw/zinc/35/84/51/556358451.db2.gz MCJLZSPMMRRYEI-RUZDIDTESA-N 0 1 442.506 4.141 50 0 IIAAMN O=C(Nc1ccnn1C1CCN(Cc2cnn(-c3cccc(F)c3)c2)CC1)c1ccccc1 ZINC000012021261 556386752 /nfs/dbraw/zinc/38/67/52/556386752.db2.gz ROVWNWSBEGYYOE-UHFFFAOYSA-N 0 1 444.514 4.297 50 0 IIAAMN O=C1COc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2N1 ZINC000014197053 556388805 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438.575 4.119 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ncccc3C)ccc2Cl)cc1 ZINC000024924666 557230264 /nfs/dbraw/zinc/23/02/64/557230264.db2.gz MZVNBASNWXHBOS-UHFFFAOYSA-N 0 1 445.928 4.495 50 0 IIAAMN Cc1nc(COc2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c2)cs1 ZINC000026620664 557245887 /nfs/dbraw/zinc/24/58/87/557245887.db2.gz KPEWASMEARHCJD-UHFFFAOYSA-N 0 1 436.581 4.343 50 0 IIAAMN CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)nc(C)c(=O)n2CC)c1ccccc1Cl ZINC000027579011 557266239 /nfs/dbraw/zinc/26/62/39/557266239.db2.gz SGYCWHQSYQJHKQ-JOCHJYFZSA-N 0 1 440.975 4.191 50 0 IIAAMN CN1CCN([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)CC1 ZINC000027793287 557274383 /nfs/dbraw/zinc/27/43/83/557274383.db2.gz MDHHFULPLATROQ-QHCPKHFHSA-N 0 1 444.019 4.121 50 0 IIAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000102448067 557302113 /nfs/dbraw/zinc/30/21/13/557302113.db2.gz HLIWSJCYYIVFEC-QHCPKHFHSA-N 0 1 440.459 4.386 50 0 IIAAMN 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568815095 /nfs/dbraw/zinc/81/50/95/568815095.db2.gz CJYAJLAUHBBPAH-UHFFFAOYSA-N 0 1 432.962 4.224 50 0 IIAAMN Cc1ccc2ccc3cc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)[nH]c3c2n1 ZINC000085577759 568825389 /nfs/dbraw/zinc/82/53/89/568825389.db2.gz UUYRQDCEKPIYNK-UHFFFAOYSA-N 0 1 445.542 4.106 50 0 IIAAMN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000015987200 568861946 /nfs/dbraw/zinc/86/19/46/568861946.db2.gz NOGABQKHFOYBGO-AFXVXQJMSA-N 0 1 428.532 4.434 50 0 IIAAMN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573409 568905453 /nfs/dbraw/zinc/90/54/53/568905453.db2.gz KELYDPDZFFHFEC-HZPDHXFCSA-N 0 1 430.346 4.127 50 0 IIAAMN COc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064557809 568932124 /nfs/dbraw/zinc/93/21/24/568932124.db2.gz LDBJWZPMBGXIIT-FQEVSTJZSA-N 0 1 439.464 4.166 50 0 IIAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095990 568951567 /nfs/dbraw/zinc/95/15/67/568951567.db2.gz 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CC(C)N1CCN(C(=O)C2CCN(c3nc4ccc(-c5ccccc5)nc4s3)CC2)CC1 ZINC000065272091 569128906 /nfs/dbraw/zinc/12/89/06/569128906.db2.gz OPDMYDVKRVAMNJ-UHFFFAOYSA-N 0 1 449.624 4.127 50 0 IIAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000013696352 569156704 /nfs/dbraw/zinc/15/67/04/569156704.db2.gz RIXUOZSCNUSBTR-UHFFFAOYSA-N 0 1 434.945 4.229 50 0 IIAAMN Cc1[nH]c(SCC(=O)N[C@@H](c2nccn2C)c2ccccc2)nc1Cc1ccccc1 ZINC000014044958 569157563 /nfs/dbraw/zinc/15/75/63/569157563.db2.gz UEIWVUOXUNQAHG-JOCHJYFZSA-N 0 1 431.565 4.040 50 0 IIAAMN Cc1ccc(C)c(NC(=O)NCCCN2CCN(c3ccc(Br)cc3)CC2)c1 ZINC000002871188 569177427 /nfs/dbraw/zinc/17/74/27/569177427.db2.gz YOJCVUXXYDVLLN-UHFFFAOYSA-N 0 1 445.405 4.400 50 0 IIAAMN Cc1cccc(C)c1C(=O)N1CCC(N2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC000252494258 569187772 /nfs/dbraw/zinc/18/77/72/569187772.db2.gz NPXZIMPALRFCRX-UHFFFAOYSA-N 0 1 446.517 4.144 50 0 IIAAMN COc1cc2c(cc1OC)CC(=O)N(CCC(=O)Nc1ccc3nc(C(C)C)[nH]c3c1)C=C2 ZINC000253406816 569265288 /nfs/dbraw/zinc/26/52/88/569265288.db2.gz JHQBNYWWAKQOLQ-UHFFFAOYSA-N 0 1 448.523 4.088 50 0 biogenic IIAAMN O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3cccs3)[nH]n1)CC2)c1ccsc1 ZINC000096096387 569381199 /nfs/dbraw/zinc/38/11/99/569381199.db2.gz KALPWXXUWMJSIT-UHFFFAOYSA-N 0 1 441.563 4.107 50 0 IIAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099901 569381836 /nfs/dbraw/zinc/38/18/36/569381836.db2.gz DERZJCQQCYQUCO-UHFFFAOYSA-N 0 1 439.541 4.363 50 0 IIAAMN O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000096457212 569400823 /nfs/dbraw/zinc/40/08/23/569400823.db2.gz FUUKPPZRNLTKLV-AHWVRZQESA-N 0 1 447.529 4.144 50 0 IIAAMN COc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000030012846 569440348 /nfs/dbraw/zinc/44/03/48/569440348.db2.gz BRYDNTGQRFUDEK-QGZVFWFLSA-N 0 1 436.533 4.396 50 0 IIAAMN O=C(c1cc(S(=O)(=O)c2ccccc2)c2nc3ccccc3n2c1)c1cc(F)ccc1O ZINC000003383107 569448934 /nfs/dbraw/zinc/44/89/34/569448934.db2.gz NLWKZODAOYSIKV-UHFFFAOYSA-N 0 1 446.459 4.396 50 0 IIAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)NCc1ccc(Cl)cc1 ZINC000003420367 569450371 /nfs/dbraw/zinc/45/03/71/569450371.db2.gz YIUFUWWRDSUYDC-UHFFFAOYSA-N 0 1 437.750 4.296 50 0 IIAAMN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000032072248 569459241 /nfs/dbraw/zinc/45/92/41/569459241.db2.gz WTQFVGKGNDMUGK-OAQYLSRUSA-N 0 1 448.350 4.297 50 0 IIAAMN COc1cccc(-c2cc(C(=O)Nc3cccc(-c4ccc(N5CCCC5)nn4)c3)[nH]n2)c1 ZINC000038486333 569462748 /nfs/dbraw/zinc/46/27/48/569462748.db2.gz VXOMJGANBWTIGK-UHFFFAOYSA-N 0 1 440.507 4.395 50 0 IIAAMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(-c3cccs3)n[nH]2)c1 ZINC000008709251 569470752 /nfs/dbraw/zinc/47/07/52/569470752.db2.gz XSFVXURUCKKCTA-OAHLLOKOSA-N 0 1 430.555 4.006 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1C ZINC000008720303 569471585 /nfs/dbraw/zinc/47/15/85/569471585.db2.gz WBLXWJZGXXTNPO-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN Cc1cc2oc(=O)c(CC(=O)NCCc3cnc[nH]3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008791953 569476328 /nfs/dbraw/zinc/47/63/28/569476328.db2.gz JXAMQXONJLEFQF-UHFFFAOYSA-N 0 1 441.487 4.448 50 0 biogenic IIAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000008861995 569480076 /nfs/dbraw/zinc/48/00/76/569480076.db2.gz IUDZVAYLYRJRMA-QFIPXVFZSA-N 0 1 430.508 4.073 50 0 IIAAMN O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008894050 569483681 /nfs/dbraw/zinc/48/36/81/569483681.db2.gz CJOXCHFYERPTEF-SFHVURJKSA-N 0 1 439.503 4.439 50 0 IIAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 ZINC000008961265 569490993 /nfs/dbraw/zinc/49/09/93/569490993.db2.gz WJSJGGLWUKTCBS-UHFFFAOYSA-N 0 1 440.477 4.171 50 0 IIAAMN CCCN1c2cc(NS(=O)(=O)c3cc(C)c(C)cc3OC)ccc2OCC(C)(C)C1=O ZINC000009172002 569509495 /nfs/dbraw/zinc/50/94/95/569509495.db2.gz KDNVUZIJBLHKRK-UHFFFAOYSA-N 0 1 446.569 4.274 50 0 IIAAMN CSc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 ZINC000009243699 569514966 /nfs/dbraw/zinc/51/49/66/569514966.db2.gz LPNRYQAVONWYSK-HXUWFJFHSA-N 0 1 429.929 4.004 50 0 IIAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)c1 ZINC000009293090 569520194 /nfs/dbraw/zinc/52/01/94/569520194.db2.gz UXYVNIMAONWVLO-QHCPKHFHSA-N 0 1 426.476 4.245 50 0 IIAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1 ZINC000009403994 569529535 /nfs/dbraw/zinc/52/95/35/569529535.db2.gz WGQBWOVSHQWPJC-UHFFFAOYSA-N 0 1 441.534 4.485 50 0 IIAAMN Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N ZINC000009541060 569545859 /nfs/dbraw/zinc/54/58/59/569545859.db2.gz FCYIVCOJEDPIQL-UHFFFAOYSA-N 0 1 447.568 4.212 50 0 IIAAMN COc1cc(C(=O)N(CCN(C)C)c2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000009604121 569551813 /nfs/dbraw/zinc/55/18/13/569551813.db2.gz MKIAFZACZSDSFE-UHFFFAOYSA-N 0 1 443.569 4.147 50 0 IIAAMN COCCNC(=O)CSc1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000009674155 569559103 /nfs/dbraw/zinc/55/91/03/569559103.db2.gz AKKAIUHHLGHMIN-UHFFFAOYSA-N 0 1 431.945 4.260 50 0 IIAAMN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN(C)[C@@H]1CCCc2ccccc21 ZINC000009812387 569569112 /nfs/dbraw/zinc/56/91/12/569569112.db2.gz COWYEQSELHOPFX-LJQANCHMSA-N 0 1 434.367 4.400 50 0 IIAAMN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1nc2ccc(OC)cc2[nH]1 ZINC000009952598 569574631 /nfs/dbraw/zinc/57/46/31/569574631.db2.gz ZACWYLIBNVQIEA-UHFFFAOYSA-N 0 1 443.554 4.214 50 0 IIAAMN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000010186589 569578457 /nfs/dbraw/zinc/57/84/57/569578457.db2.gz VSLFCMJKORQYNY-UHFFFAOYSA-N 0 1 449.916 4.349 50 0 IIAAMN CCCC(=O)N(CCC(C)C)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1 ZINC000034834435 519862523 /nfs/dbraw/zinc/86/25/23/519862523.db2.gz PWFXGRFMPFUUAU-UHFFFAOYSA-N 0 1 443.611 4.246 50 0 IIAAMN COc1cc(/C=C/CN2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)ccc1O ZINC000012703843 521941253 /nfs/dbraw/zinc/94/12/53/521941253.db2.gz LHFXJLHYZNZFSO-VOTSOKGWSA-N 0 1 436.552 4.193 50 0 IIAAMN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000012739396 522518296 /nfs/dbraw/zinc/51/82/96/522518296.db2.gz FHEVUHJKBPLKEJ-UHFFFAOYSA-N 0 1 436.821 4.460 50 0 IIAAMN COc1cc(NC(=O)CC[C@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)cc(OC)c1 ZINC000012714085 522655187 /nfs/dbraw/zinc/65/51/87/522655187.db2.gz MSRNULIQIBVDIP-QGZVFWFLSA-N 0 1 430.520 4.482 50 0 IIAAMN COc1ccc(-c2noc(CN3CCN(Cc4cccc5ccccc54)CC3)n2)cc1OC ZINC000022797332 523288830 /nfs/dbraw/zinc/28/88/30/523288830.db2.gz MIHAXZBDCANLOS-UHFFFAOYSA-N 0 1 444.535 4.225 50 0 IIAAMN CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(C(C)=O)c2)CC1)c1ccccc1 ZINC000012302846 523334753 /nfs/dbraw/zinc/33/47/53/523334753.db2.gz SSNRMMIIRZDYQU-RUZDIDTESA-N 0 1 446.551 4.249 50 0 IIAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cc(CC(C)C)on1 ZINC000012595660 523687493 /nfs/dbraw/zinc/68/74/93/523687493.db2.gz ULAYPRLDDJEYRY-UHFFFAOYSA-N 0 1 431.552 4.013 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000020554934 523851190 /nfs/dbraw/zinc/85/11/90/523851190.db2.gz OEJJJVGWANEQRE-UHFFFAOYSA-N 0 1 438.553 4.252 50 0 IIAAMN CN1CCN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccc(Cl)cc32)CC1 ZINC000020859570 523928129 /nfs/dbraw/zinc/92/81/29/523928129.db2.gz UZWYJPODRCHMRM-UHFFFAOYSA-N 0 1 446.864 4.369 50 0 IIAAMN COc1cccc2c([C@@H](C(=O)[O-])N3CC[NH+](Cc4cccc5ccccc54)CC3)c[nH]c21 ZINC000020723205 524201560 /nfs/dbraw/zinc/20/15/60/524201560.db2.gz PKKYNODIGWCLRK-VWLOTQADSA-N 0 1 429.520 4.273 50 0 IIAAMN C[C@H](CNC(=O)Cc1cccs1)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000012247920 524388644 /nfs/dbraw/zinc/38/86/44/524388644.db2.gz XVOKTLZAIQJWDT-OAQYLSRUSA-N 0 1 449.620 4.197 50 0 IIAAMN COc1ccccc1[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCCC1 ZINC000022680616 524792957 /nfs/dbraw/zinc/79/29/57/524792957.db2.gz NISCNXLZSJKHOJ-QHCPKHFHSA-N 0 1 448.542 4.076 50 0 IIAAMN Cc1ccccc1-c1cn[nH]c1[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000012217415 525005734 /nfs/dbraw/zinc/00/57/34/525005734.db2.gz VICSUKBPPORHTR-GOSISDBHSA-N 0 1 426.520 4.257 50 0 IIAAMN C[C@H](NC(=S)Nc1cccc(Br)c1)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000022031413 525276277 /nfs/dbraw/zinc/27/62/77/525276277.db2.gz SVUPCISOJZVYMW-OXJNMPFZSA-N 0 1 447.446 4.113 50 0 IIAAMN C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC000012796046 525409330 /nfs/dbraw/zinc/40/93/30/525409330.db2.gz CWNKNHHGRJVXRD-SJKOYZFVSA-N 0 1 425.838 4.297 50 0 IIAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C(=O)N1CCCC1 ZINC000020989769 525413085 /nfs/dbraw/zinc/41/30/85/525413085.db2.gz DCMVMLUKDPNGLJ-UHFFFAOYSA-N 0 1 449.882 4.341 50 0 IIAAMN CSc1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)c1 ZINC000021030418 526139275 /nfs/dbraw/zinc/13/92/75/526139275.db2.gz UZMVWVOHGGSBGJ-UHFFFAOYSA-N 0 1 435.615 4.037 50 0 IIAAMN O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCCCc1ccncc1 ZINC000020906111 526495512 /nfs/dbraw/zinc/49/55/12/526495512.db2.gz MBEJAVWIJMWJNE-RUZDIDTESA-N 0 1 433.527 4.296 50 0 IIAAMN O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCN(C2CCCCC2)CC1 ZINC000035482337 526593838 /nfs/dbraw/zinc/59/38/38/526593838.db2.gz RVIAREPFDNUPDK-UHFFFAOYSA-N 0 1 433.531 4.164 50 0 IIAAMN O=C(c1ccc(OC2CCN(Cc3cccn3-c3ccccn3)CC2)cc1)N1CCCC1 ZINC000012448592 526708540 /nfs/dbraw/zinc/70/85/40/526708540.db2.gz GIFMJLXAWGIBRP-UHFFFAOYSA-N 0 1 430.552 4.152 50 0 IIAAMN O=C(CN1CCCCC1)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000012583027 526737738 /nfs/dbraw/zinc/73/77/38/526737738.db2.gz BNXICWKUACGJJZ-UHFFFAOYSA-N 0 1 445.485 4.328 50 0 IIAAMN O=C(c1nc2sccn2c1CN1CCC[C@@H](c2nc3ccccc3o2)C1)N1CCCC1 ZINC000020776017 526918006 /nfs/dbraw/zinc/91/80/06/526918006.db2.gz NOUSONOWJGVTFI-MRXNPFEDSA-N 0 1 435.553 4.153 50 0 IIAAMN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000000790932 555557133 /nfs/dbraw/zinc/55/71/33/555557133.db2.gz OJLYYJQFJMHZKG-UHFFFAOYSA-N 0 1 439.537 4.332 50 0 IIAAMN CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000001110727 555631419 /nfs/dbraw/zinc/63/14/19/555631419.db2.gz QNVQEVSVEZFECS-UHFFFAOYSA-N 0 1 438.505 4.225 50 0 IIAAMN O=S(=O)(Nc1ccc(I)cc1)c1cc(Cl)ccc1Cl ZINC000001230742 555686553 /nfs/dbraw/zinc/68/65/53/555686553.db2.gz CMZXFUADUMIBSE-UHFFFAOYSA-N 0 1 428.078 4.399 50 0 IIAAMN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000010532094 555693289 /nfs/dbraw/zinc/69/32/89/555693289.db2.gz GAWMXHQUADQTBE-ZDUSSCGKSA-N 0 1 448.957 4.050 50 0 IIAAMN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000010532095 555693375 /nfs/dbraw/zinc/69/33/75/555693375.db2.gz GAWMXHQUADQTBE-CYBMUJFWSA-N 0 1 448.957 4.050 50 0 IIAAMN O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002659980 555794103 /nfs/dbraw/zinc/79/41/03/555794103.db2.gz QXLAEVPZTGDLHA-UHFFFAOYSA-N 0 1 448.957 4.052 50 0 IIAAMN O=C(Nc1ccc(N2CCCN(Cc3cccc(F)c3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681931 555815616 /nfs/dbraw/zinc/81/56/16/555815616.db2.gz HMLZRZGLHILFID-UHFFFAOYSA-N 0 1 440.469 4.464 50 0 IIAAMN COc1ccc(-c2[nH]nc(C3CCOCC3)c2NC(=O)c2ccccc2OC)cc1OC ZINC000034794004 555917157 /nfs/dbraw/zinc/91/71/57/555917157.db2.gz YUVVHRUYYIKMGE-UHFFFAOYSA-N 0 1 437.496 4.249 50 0 IIAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)ccc1O ZINC000008845136 556226887 /nfs/dbraw/zinc/22/68/87/556226887.db2.gz SFKGRUFVFOCXCX-DEOSSOPVSA-N 0 1 442.475 4.027 50 0 IIAAMN CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccccc3F)n2)cc1 ZINC000009113592 556247790 /nfs/dbraw/zinc/24/77/90/556247790.db2.gz SNJONJXOELWAGR-BQYQJAHWSA-N 0 1 440.500 4.181 50 0 IIAAMN COc1ccc2nc(SCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)[nH]c2c1 ZINC000032559901 556337966 /nfs/dbraw/zinc/33/79/66/556337966.db2.gz HACVBDRZMDDGTN-LJQANCHMSA-N 0 1 439.537 4.189 50 0 IIAAMN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(-c3ccsc3)[nH]n2)C1 ZINC000011664575 556345098 /nfs/dbraw/zinc/34/50/98/556345098.db2.gz LBXLAQJMVDJKCG-QHCPKHFHSA-N 0 1 441.528 4.306 50 0 IIAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000014141921 556377315 /nfs/dbraw/zinc/37/73/15/556377315.db2.gz DAGHRYSDPZPGHC-SFHVURJKSA-N 0 1 425.514 4.065 50 0 IIAAMN CC1(C)[C@H](OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000229982506 556415953 /nfs/dbraw/zinc/41/59/53/556415953.db2.gz CUOSKCZUEOACLV-XHRGMSINSA-N 0 1 440.550 4.420 50 0 IIAAMN CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000014541949 556426185 /nfs/dbraw/zinc/42/61/85/556426185.db2.gz SKFMCKJOZJYJEB-UHFFFAOYSA-N 0 1 431.458 4.134 50 0 IIAAMN CC(C)CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014749860 556443053 /nfs/dbraw/zinc/44/30/53/556443053.db2.gz WGEYMXPSCUCWIO-XUZZJYLKSA-N 0 1 436.596 4.170 50 0 IIAAMN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000028287445 556447968 /nfs/dbraw/zinc/44/79/68/556447968.db2.gz PPWCBYLXFXLABY-HXUWFJFHSA-N 0 1 429.923 4.252 50 0 IIAAMN CCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1ccc(O)c(OC)c1 ZINC000013121757 556474436 /nfs/dbraw/zinc/47/44/36/556474436.db2.gz QIFZAHFTFUSFHH-NRFANRHFSA-N 0 1 427.888 4.414 50 0 IIAAMN CCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000013121758 556474500 /nfs/dbraw/zinc/47/45/00/556474500.db2.gz QIFZAHFTFUSFHH-OAQYLSRUSA-N 0 1 427.888 4.414 50 0 IIAAMN O=c1c2c3c(sc2ncn1Cc1cc2ccccc2s1)C[C@H](NCc1ccon1)CC3 ZINC000014996405 556478063 /nfs/dbraw/zinc/47/80/63/556478063.db2.gz OWSBNUNIPHEVQC-OAHLLOKOSA-N 0 1 448.573 4.356 50 0 IIAAMN Cc1ccsc1CN1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1 ZINC000015069179 556494565 /nfs/dbraw/zinc/49/45/65/556494565.db2.gz CYVNVOAULQSFRA-UHFFFAOYSA-N 0 1 449.551 4.314 50 0 IIAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC(C(=O)N2CCOCC2)CC1 ZINC000015075554 556499254 /nfs/dbraw/zinc/49/92/54/556499254.db2.gz FTNNSEXTKXPYSI-UHFFFAOYSA-N 0 1 445.563 4.388 50 0 IIAAMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000015679386 556543108 /nfs/dbraw/zinc/54/31/08/556543108.db2.gz QEIJSKKEHUPSSK-UHFFFAOYSA-N 0 1 445.748 4.455 50 0 IIAAMN CCSCC[C@@H](C)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000072305337 556552982 /nfs/dbraw/zinc/55/29/82/556552982.db2.gz ODNGNVGNXADKCK-MRXNPFEDSA-N 0 1 443.569 4.070 50 0 IIAAMN COc1cc(NC(=O)CN(CCCO)[C@@H]2CCCc3ccccc32)c(OC)cc1Cl ZINC000072308755 556567479 /nfs/dbraw/zinc/56/74/79/556567479.db2.gz TZNNZXYGIWOCMD-HXUWFJFHSA-N 0 1 432.948 4.058 50 0 IIAAMN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc1 ZINC000072310006 556577638 /nfs/dbraw/zinc/57/76/38/556577638.db2.gz TZIJBAZPSLGMFN-UHFFFAOYSA-N 0 1 426.542 4.113 50 0 IIAAMN CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146010 556593920 /nfs/dbraw/zinc/59/39/20/556593920.db2.gz DILLGLRMGMRCSI-RTWAWAEBSA-N 0 1 437.367 4.386 50 0 IIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(Nc3cc(-c4ccccc4)nc(C)n3)cc2)n1 ZINC000011906694 556671846 /nfs/dbraw/zinc/67/18/46/556671846.db2.gz MHFZQUSLCJQCHU-UHFFFAOYSA-N 0 1 432.509 4.095 50 0 IIAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCOC)c1 ZINC000011916378 556673322 /nfs/dbraw/zinc/67/33/22/556673322.db2.gz HEGPPTPKHRLAEJ-XMMPIXPASA-N 0 1 435.524 4.461 50 0 IIAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)/N=c2/sc3ccccc3n2C)cc1 ZINC000100812960 556676580 /nfs/dbraw/zinc/67/65/80/556676580.db2.gz CLIWYOWSTYEBEI-GHVJWSGMSA-N 0 1 437.546 4.090 50 0 IIAAMN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCc2nc[nH]c2C1)occ3-c1ccccc1 ZINC000013551971 556697013 /nfs/dbraw/zinc/69/70/13/556697013.db2.gz PLGMQPVIVHTXQA-UHFFFAOYSA-N 0 1 439.471 4.365 50 0 biogenic IIAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000137710059 556697970 /nfs/dbraw/zinc/69/79/70/556697970.db2.gz YZCWRZXLAXRNDP-RBZQAINGSA-N 0 1 444.487 4.063 50 0 IIAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000137710059 556697973 /nfs/dbraw/zinc/69/79/73/556697973.db2.gz YZCWRZXLAXRNDP-RBZQAINGSA-N 0 1 444.487 4.063 50 0 IIAAMN COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3nc(-c4cccc(C)c4)oc3C)C2)cc1 ZINC000013574580 556698335 /nfs/dbraw/zinc/69/83/35/556698335.db2.gz FEGIRYMCKCJPBY-JOCHJYFZSA-N 0 1 433.552 4.495 50 0 IIAAMN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)n[nH]2)cc1 ZINC000072331242 556730123 /nfs/dbraw/zinc/73/01/23/556730123.db2.gz DQMRHBWAFGMQPY-UHFFFAOYSA-N 0 1 434.540 4.227 50 0 IIAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000143598490 556739962 /nfs/dbraw/zinc/73/99/62/556739962.db2.gz RJMNYYGBCXEPKN-RBZQAINGSA-N 0 1 444.487 4.150 50 0 IIAAMN CN(C(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000058015467 556754042 /nfs/dbraw/zinc/75/40/42/556754042.db2.gz PEPRLGZFPNNOJX-OAQYLSRUSA-N 0 1 449.526 4.019 50 0 IIAAMN CC(=O)c1c(C)cc(C)c(CN2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)c1C ZINC000058379616 556784378 /nfs/dbraw/zinc/78/43/78/556784378.db2.gz CXEYPIDSWDKHRE-JOCHJYFZSA-N 0 1 442.625 4.313 50 0 IIAAMN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3cc(C)cc(C)c3)C2)CC1 ZINC000059308031 556797506 /nfs/dbraw/zinc/79/75/06/556797506.db2.gz DVXQWOPSMWOMHZ-DEOSSOPVSA-N 0 1 435.612 4.058 50 0 IIAAMN Cc1ccc2nc(N3CCC[C@@H](C(=O)NCc4cccc(Br)c4)C3)[nH]c2c1 ZINC000033072220 556852012 /nfs/dbraw/zinc/85/20/12/556852012.db2.gz PAGXADYPOIFJDX-MRXNPFEDSA-N 0 1 427.346 4.167 50 0 IIAAMN O=C(Cc1c[nH]c2ccccc12)NCCN1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000019741848 556884943 /nfs/dbraw/zinc/88/49/43/556884943.db2.gz YJJOETZGLYCTPC-SANMLTNESA-N 0 1 425.532 4.463 50 0 IIAAMN O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)NCc1ccccc1Cl ZINC000096839038 556980833 /nfs/dbraw/zinc/98/08/33/556980833.db2.gz ZVNYSQTZYKCJFX-UHFFFAOYSA-N 0 1 431.967 4.344 50 0 IIAAMN CCCn1c2ccc(NS(=O)(=O)c3ccccc3Br)cc2sc1=O ZINC000046017698 557020811 /nfs/dbraw/zinc/02/08/11/557020811.db2.gz STLPEKOMMNCCPH-UHFFFAOYSA-N 0 1 427.345 4.036 50 0 IIAAMN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc12 ZINC000023074754 557061846 /nfs/dbraw/zinc/06/18/46/557061846.db2.gz NYPFHTCDZPEWOW-UHFFFAOYSA-N 0 1 431.565 4.400 50 0 IIAAMN CCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)[nH]n2)CC1 ZINC000049406661 557101840 /nfs/dbraw/zinc/10/18/40/557101840.db2.gz IQVUZBKYJGPTIM-UHFFFAOYSA-N 0 1 446.551 4.127 50 0 IIAAMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000049604859 557115162 /nfs/dbraw/zinc/11/51/62/557115162.db2.gz CRGNQXJSQUALGF-FQEVSTJZSA-N 0 1 429.524 4.082 50 0 IIAAMN C[C@H](NCC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000049580914 557115828 /nfs/dbraw/zinc/11/58/28/557115828.db2.gz ZIZYJPLYVMKBJL-FQEVSTJZSA-N 0 1 430.548 4.447 50 0 IIAAMN Cc1ccc([C@H](NCC(=O)Nc2ccc(CN3CCOCC3)cc2)c2ccccc2)cc1 ZINC000023880942 557122636 /nfs/dbraw/zinc/12/26/36/557122636.db2.gz JMYVIROFLIHDEF-HHHXNRCGSA-N 0 1 429.564 4.145 50 0 IIAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000000630544 557122749 /nfs/dbraw/zinc/12/27/49/557122749.db2.gz ABRDWLBAPZXIDH-UHFFFAOYSA-N 0 1 431.304 4.391 50 0 IIAAMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2n[nH]c(CCC3CCCC3)n2)c1 ZINC000025608776 557218975 /nfs/dbraw/zinc/21/89/75/557218975.db2.gz MSMLWUOCCPIIPX-IBGZPJMESA-N 0 1 444.601 4.401 50 0 IIAAMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc(CCC3CCCC3)n[nH]2)c1 ZINC000025608776 557218979 /nfs/dbraw/zinc/21/89/79/557218979.db2.gz MSMLWUOCCPIIPX-IBGZPJMESA-N 0 1 444.601 4.401 50 0 IIAAMN COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101063838 557219374 /nfs/dbraw/zinc/21/93/74/557219374.db2.gz QCAPIHXQUSPMAK-VXNXHJTFSA-N 0 1 444.487 4.063 50 0 IIAAMN C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000025686248 557222090 /nfs/dbraw/zinc/22/20/90/557222090.db2.gz LHFCOSXJZHHTIH-OAHLLOKOSA-N 0 1 433.533 4.316 50 0 IIAAMN COc1ccc(-c2n[nH]c(S[C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)n2)cc1 ZINC000100116436 557240992 /nfs/dbraw/zinc/24/09/92/557240992.db2.gz WJFQYHHCGVUYHV-IBGZPJMESA-N 0 1 430.489 4.058 50 0 IIAAMN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N=[S@](C)(=O)c1ccccc1 ZINC000100217599 557248431 /nfs/dbraw/zinc/24/84/31/557248431.db2.gz JNPRESHTVBSTHN-MUUNZHRXSA-N 0 1 433.942 4.475 50 0 IIAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCOC(C)C)c1 ZINC000027749179 557273106 /nfs/dbraw/zinc/27/31/06/557273106.db2.gz WHQDCWQZXJUEAX-XMMPIXPASA-N 0 1 435.524 4.460 50 0 IIAAMN CN1CCN([C@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)CC1 ZINC000027793289 557274447 /nfs/dbraw/zinc/27/44/47/557274447.db2.gz MDHHFULPLATROQ-HSZRJFAPSA-N 0 1 444.019 4.121 50 0 IIAAMN COc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1 ZINC000101828772 557300381 /nfs/dbraw/zinc/30/03/81/557300381.db2.gz OHFXEZBGEMMNGB-UHFFFAOYSA-N 0 1 428.423 4.219 50 0 IIAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220675233 557364161 /nfs/dbraw/zinc/36/41/61/557364161.db2.gz AEWOZTRULVAQMS-OAHLLOKOSA-N 0 1 449.461 4.500 50 0 IIAAMN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102732396 557371799 /nfs/dbraw/zinc/37/17/99/557371799.db2.gz QCAPIHXQUSPMAK-WXFUMESZSA-N 0 1 444.487 4.063 50 0 IIAAMN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102732396 557371803 /nfs/dbraw/zinc/37/18/03/557371803.db2.gz QCAPIHXQUSPMAK-WXFUMESZSA-N 0 1 444.487 4.063 50 0 IIAAMN COCCCNC(=O)CSc1nc(-c2ccc(C)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000004927892 557409089 /nfs/dbraw/zinc/40/90/89/557409089.db2.gz DMKRWYHOJXGZLE-UHFFFAOYSA-N 0 1 425.554 4.306 50 0 IIAAMN O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCN(c2ccccc2Cl)CC1 ZINC000044838501 557538887 /nfs/dbraw/zinc/53/88/87/557538887.db2.gz AIKMBXDRWAJMAE-UHFFFAOYSA-N 0 1 445.748 4.455 50 0 IIAAMN CC1(C)CC([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2Cl)CC(C)(C)[NH2+]1 ZINC000225542915 557739404 /nfs/dbraw/zinc/73/94/04/557739404.db2.gz KRQBJWXZPHQXNM-UHFFFAOYSA-N 0 1 444.222 4.343 50 0 IIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)n1 ZINC000000888885 557856848 /nfs/dbraw/zinc/85/68/48/557856848.db2.gz APZAOQLAMBRBFC-UHFFFAOYSA-N 0 1 442.566 4.015 50 0 IIAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000008606652 562957083 /nfs/dbraw/zinc/95/70/83/562957083.db2.gz URHWTNDSYYXVEK-DEOSSOPVSA-N 0 1 426.476 4.321 50 0 IIAAMN COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CCN(C)C)c(=N)c32)cc1 ZINC000009353130 562969531 /nfs/dbraw/zinc/96/95/31/562969531.db2.gz SQLSTWVWXOCLOD-JOCHJYFZSA-N 0 1 426.520 4.372 50 0 IIAAMN COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CCN(C)C)c(=N)c32)cc1 ZINC000009353131 562969538 /nfs/dbraw/zinc/96/95/38/562969538.db2.gz SQLSTWVWXOCLOD-QFIPXVFZSA-N 0 1 426.520 4.372 50 0 IIAAMN CC(C)COC[C@@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982878 568622732 /nfs/dbraw/zinc/62/27/32/568622732.db2.gz JUIFPDABEWZFMR-XZOQPEGZSA-N 0 1 430.976 4.369 50 0 IIAAMN O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000018992358 568631203 /nfs/dbraw/zinc/63/12/03/568631203.db2.gz HKONUCHUSPMCRD-INIZCTEOSA-N 0 1 446.406 4.229 50 0 IIAAMN CCOC(=O)C1C(CSc2nc3ccccc3[nH]2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001422889 568793346 /nfs/dbraw/zinc/79/33/46/568793346.db2.gz UWVHNEJMIIXTEY-HXUWFJFHSA-N 0 1 436.537 4.143 50 0 IIAAMN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc(OC)c1OC ZINC000016101472 568870637 /nfs/dbraw/zinc/87/06/37/568870637.db2.gz YOWMUGJJBXYMHK-UHFFFAOYSA-N 0 1 425.812 4.185 50 0 IIAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607520 568889846 /nfs/dbraw/zinc/88/98/46/568889846.db2.gz YEQOLVQVWOVCHM-UHFFFAOYSA-N 0 1 434.393 4.313 50 0 IIAAMN Cc1nc(-n2cccc2)cc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000090607833 568890396 /nfs/dbraw/zinc/89/03/96/568890396.db2.gz FVORTVJXVJSIQJ-UHFFFAOYSA-N 0 1 437.547 4.056 50 0 IIAAMN COC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)Cc1ccccc1 ZINC000036313003 568998087 /nfs/dbraw/zinc/99/80/87/568998087.db2.gz OZVMLMBJPKQGPJ-QHCPKHFHSA-N 0 1 435.568 4.341 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000065115997 569107062 /nfs/dbraw/zinc/10/70/62/569107062.db2.gz NCRSTPLVBRLGPM-UHFFFAOYSA-N 0 1 429.498 4.035 50 0 IIAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n2CC)o1 ZINC000065186605 569114733 /nfs/dbraw/zinc/11/47/33/569114733.db2.gz MYWWUFSCJCPCRY-UHFFFAOYSA-N 0 1 426.901 4.331 50 0 IIAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000065322156 569136613 /nfs/dbraw/zinc/13/66/13/569136613.db2.gz RWMZEGMEADDZHX-UHFFFAOYSA-N 0 1 439.991 4.490 50 0 IIAAMN CN(C(=O)OC(C)(C)C)[C@]1(c2ccccc2Cl)CCCC[C@H]1NCc1nncn1C ZINC000170606814 569144617 /nfs/dbraw/zinc/14/46/17/569144617.db2.gz CBIBEWORTBLNID-GCJKJVERSA-N 0 1 433.984 4.263 50 0 IIAAMN COc1ccc(SCC(=O)N(CCN(C)C)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000010219154 569153621 /nfs/dbraw/zinc/15/36/21/569153621.db2.gz WYOBCIORDLHKBB-UHFFFAOYSA-N 0 1 437.537 4.270 50 0 IIAAMN COc1ccc(CC(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016891195 569165702 /nfs/dbraw/zinc/16/57/02/569165702.db2.gz CXFQUJKJPAFMSN-RXFWQSSRSA-N 0 1 449.620 4.367 50 0 IIAAMN C[C@@H](NC(=O)Cc1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000016891189 569165803 /nfs/dbraw/zinc/16/58/03/569165803.db2.gz RXNBHGVAWGBWGV-CLOONOSVSA-N 0 1 437.584 4.498 50 0 IIAAMN Cc1cc(Cl)ccc1Nc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1cnn2C ZINC000017011251 569170454 /nfs/dbraw/zinc/17/04/54/569170454.db2.gz SJXRMCVCHPFYDS-UHFFFAOYSA-N 0 1 447.974 4.391 50 0 IIAAMN O=C(Cc1ccccc1F)N1CCC(c2noc(-c3cc(-c4cccs4)n[nH]3)n2)CC1 ZINC000253471938 569282684 /nfs/dbraw/zinc/28/26/84/569282684.db2.gz GRMDPZNLTMQLIM-UHFFFAOYSA-N 0 1 437.500 4.276 50 0 IIAAMN CCN(CC)[C@H](CNC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccccc1Cl ZINC000013039088 569307834 /nfs/dbraw/zinc/30/78/34/569307834.db2.gz FVKUHIMLUWWISB-OAQYLSRUSA-N 0 1 442.943 4.333 50 0 IIAAMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000328591587 569317086 /nfs/dbraw/zinc/31/70/86/569317086.db2.gz ZLKGPEYBIRIWEP-CQSZACIVSA-N 0 1 437.935 4.122 50 0 IIAAMN COc1ccc(CNC2(c3cccc(Br)c3)CCOCC2)c(OC)c1OC ZINC000078803139 569318970 /nfs/dbraw/zinc/31/89/70/569318970.db2.gz HDZQOSMJTFOARB-UHFFFAOYSA-N 0 1 436.346 4.270 50 0 IIAAMN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)[nH]c1-c1ccccc1 ZINC000079021163 569322385 /nfs/dbraw/zinc/32/23/85/569322385.db2.gz GLNGNWBRHBTCHH-IBGZPJMESA-N 0 1 446.490 4.177 50 0 IIAAMN CCOc1ccc2[nH+]cc(C(=O)[O-])c(Nc3ccc(I)cc3)c2c1 ZINC000019795511 569329419 /nfs/dbraw/zinc/32/94/19/569329419.db2.gz OKAJGLURLAIEDM-UHFFFAOYSA-N 0 1 434.233 4.102 50 0 IIAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N[C@@H]3CCC[C@H](C)[C@H]3C)cc12 ZINC000020153716 569353585 /nfs/dbraw/zinc/35/35/85/569353585.db2.gz WUHRWVTZXWAERM-YRISNDGFSA-N 0 1 425.646 4.406 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)c3=O)c2c1 ZINC000020330550 569360820 /nfs/dbraw/zinc/36/08/20/569360820.db2.gz DVBCYDGDKCRHIT-JKIFEVAISA-N 0 1 442.585 4.270 50 0 IIAAMN C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000095348915 569361681 /nfs/dbraw/zinc/36/16/81/569361681.db2.gz WPSDIQQDGGFJGF-HFZDXXHNSA-N 0 1 430.596 4.059 50 0 IIAAMN FC(F)(F)c1cccc([C@H](Nc2ncnc3c2cnn3-c2ccccc2)c2nnc[nH]2)c1 ZINC000096011399 569379698 /nfs/dbraw/zinc/37/96/98/569379698.db2.gz WKJGOHRKLIKJFV-KRWDZBQOSA-N 0 1 436.401 4.154 50 0 IIAAMN COc1ccc([C@H](O)CCN2CCN(c3ccccc3SC(C)C)CC2)cc1OC ZINC000096026822 569380797 /nfs/dbraw/zinc/38/07/97/569380797.db2.gz QILJOKMXYKKLKG-OAQYLSRUSA-N 0 1 430.614 4.450 50 0 IIAAMN COc1ccc(CN2CCC(NC(=O)CCCc3c[nH]c4ccccc34)CC2)cc1OC ZINC000096116076 569383642 /nfs/dbraw/zinc/38/36/42/569383642.db2.gz XXERRCYWDFYJEZ-UHFFFAOYSA-N 0 1 435.568 4.289 50 0 biogenic IIAAMN COc1ccc(Br)cc1/C=C\C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000096402987 569400461 /nfs/dbraw/zinc/40/04/61/569400461.db2.gz MYHODZKYHLJXFC-VOCYLRNQSA-N 0 1 433.346 4.407 50 0 IIAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F ZINC000003372690 569448549 /nfs/dbraw/zinc/44/85/49/569448549.db2.gz NVQKVCNMBZADPC-UHFFFAOYSA-N 0 1 447.871 4.320 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2F)ccc1C ZINC000003569797 569454204 /nfs/dbraw/zinc/45/42/04/569454204.db2.gz RFQVYLJPSUCLBL-UHFFFAOYSA-N 0 1 432.448 4.335 50 0 IIAAMN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1C(F)(F)F ZINC000031721788 569457123 /nfs/dbraw/zinc/45/71/23/569457123.db2.gz VVVCDVLEWFQVMI-UHFFFAOYSA-N 0 1 433.473 4.223 50 0 IIAAMN COc1ccc(-c2nc3c(s2)C[N@@H+]([C@@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc1OC ZINC000031812672 569457756 /nfs/dbraw/zinc/45/77/56/569457756.db2.gz TUOWSASHWBESQR-JOCHJYFZSA-N 0 1 449.532 4.493 50 0 IIAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc1OC ZINC000031812672 569457757 /nfs/dbraw/zinc/45/77/57/569457757.db2.gz TUOWSASHWBESQR-JOCHJYFZSA-N 0 1 449.532 4.493 50 0 IIAAMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000008388622 569462737 /nfs/dbraw/zinc/46/27/37/569462737.db2.gz CJJGHVZDHLKNKS-FQEVSTJZSA-N 0 1 426.948 4.362 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)N2CCCC2)cc1 ZINC000008707908 569470616 /nfs/dbraw/zinc/47/06/16/569470616.db2.gz BOVOZWZKCPXOPN-JOCHJYFZSA-N 0 1 433.508 4.107 50 0 IIAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000008845246 569478707 /nfs/dbraw/zinc/47/87/07/569478707.db2.gz SMFZATJZXBGQKC-XMMPIXPASA-N 0 1 445.475 4.446 50 0 IIAAMN CC(=O)NCCc1ccc(C(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1F ZINC000040122994 569489726 /nfs/dbraw/zinc/48/97/26/569489726.db2.gz OTSNYQHQVSPOEO-UHFFFAOYSA-N 0 1 425.529 4.102 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000008961047 569490925 /nfs/dbraw/zinc/49/09/25/569490925.db2.gz SJPABWBFXBMSEP-UHFFFAOYSA-N 0 1 438.505 4.495 50 0 IIAAMN COC(=O)c1cc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2)ccc1Cl ZINC000040268100 569497528 /nfs/dbraw/zinc/49/75/28/569497528.db2.gz KDGXNXGBXYUROL-LJQANCHMSA-N 0 1 428.851 4.168 50 0 IIAAMN COC(=O)c1cc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2)ccc1Cl ZINC000040268099 569497550 /nfs/dbraw/zinc/49/75/50/569497550.db2.gz KDGXNXGBXYUROL-IBGZPJMESA-N 0 1 428.851 4.168 50 0 IIAAMN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3cc(Cl)ccc3C)cc21 ZINC000040450145 569506253 /nfs/dbraw/zinc/50/62/53/569506253.db2.gz BKXURPAAHALJLZ-UHFFFAOYSA-N 0 1 443.750 4.121 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)COC(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245328423 569503930 /nfs/dbraw/zinc/50/39/30/569503930.db2.gz OJLKOOAHACFCBL-FYYLOGMGSA-N 0 1 446.975 4.130 50 0 IIAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(Br)cc2C[C@@H]1C ZINC000040450583 569506384 /nfs/dbraw/zinc/50/63/84/569506384.db2.gz ARLNIGUKAAXZPB-JTQLQIEISA-N 0 1 443.750 4.201 50 0 IIAAMN C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)N(C)Cc1ccccc1 ZINC000009197976 569511035 /nfs/dbraw/zinc/51/10/35/569511035.db2.gz RACFOEJLYUNJRK-CYBMUJFWSA-N 0 1 431.359 4.373 50 0 IIAAMN Cc1ccc(C2=NN(C(=O)CSc3nc(-c4ccncc4)n[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000009216795 569512227 /nfs/dbraw/zinc/51/22/27/569512227.db2.gz XZWMLUGNLNHVBN-IBGZPJMESA-N 0 1 444.520 4.238 50 0 IIAAMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000069951232 569525353 /nfs/dbraw/zinc/52/53/53/569525353.db2.gz RQODADFKLQHMFW-FCHUYYIVSA-N 0 1 432.008 4.164 50 0 IIAAMN CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000009484344 569539541 /nfs/dbraw/zinc/53/95/41/569539541.db2.gz RCGXTVSGHWXCJV-UHFFFAOYSA-N 0 1 430.961 4.494 50 0 IIAAMN CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccccc1Cl ZINC000009536183 569545560 /nfs/dbraw/zinc/54/55/60/569545560.db2.gz XKKKPDRIWWKYJO-AUUYWEPGSA-N 0 1 430.936 4.264 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000009707422 569561512 /nfs/dbraw/zinc/56/15/12/569561512.db2.gz SDDLTDQEJMHHHH-UHFFFAOYSA-N 0 1 449.532 4.120 50 0 IIAAMN CCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000009778238 569567225 /nfs/dbraw/zinc/56/72/25/569567225.db2.gz BIMOQOBYTNXUNX-VXKWHMMOSA-N 0 1 446.890 4.491 50 0 IIAAMN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CNC2(c3ccccc3)CCC2)c1 ZINC000010032798 569577313 /nfs/dbraw/zinc/57/73/13/569577313.db2.gz BCUYVFXQDQRQIE-UHFFFAOYSA-N 0 1 449.576 4.119 50 0 IIAAMN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCCN1CCC(c2cccs2)CC1 ZINC000077104226 569585579 /nfs/dbraw/zinc/58/55/79/569585579.db2.gz RARJYMOTBBZJMU-UHFFFAOYSA-N 0 1 432.533 4.066 50 0 IIAAMN COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C#N)cc4)o3)C(=O)NC2=S)cc1 ZINC000033304997 569587503 /nfs/dbraw/zinc/58/75/03/569587503.db2.gz YMQYNXDVXWFISZ-UNOMPAQXSA-N 0 1 429.457 4.498 50 0 IIAAMN Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)cc1Cl ZINC000009109038 132303074 /nfs/dbraw/zinc/30/30/74/132303074.db2.gz VOUKCSHUPLLTMQ-DEOSSOPVSA-N 0 1 433.895 4.063 50 0 IIAAMN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000014974090 520463293 /nfs/dbraw/zinc/46/32/93/520463293.db2.gz FBGGUGOXSSGVSV-UHFFFAOYSA-N 0 1 447.959 4.451 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)ccc2Cl)cc1 ZINC000012604902 521129797 /nfs/dbraw/zinc/12/97/97/521129797.db2.gz JIOCNLDODHXIPR-UHFFFAOYSA-N 0 1 448.928 4.405 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)c(Cl)cc2Cl)cc1 ZINC000012605210 521131434 /nfs/dbraw/zinc/13/14/34/521131434.db2.gz KZKCTERQRXBXBK-UHFFFAOYSA-N 0 1 443.352 4.429 50 0 IIAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccccc1)=N2 ZINC000035372790 521585545 /nfs/dbraw/zinc/58/55/45/521585545.db2.gz LVBDKGIMEYXRDL-UHFFFAOYSA-N 0 1 442.535 4.350 50 0 IIAAMN CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2ccc(C(=O)c3cc(OC)ccc3OC)cc2)C1 ZINC000012218597 522001573 /nfs/dbraw/zinc/00/15/73/522001573.db2.gz KNXROTNCNOFXMR-FQEVSTJZSA-N 0 1 447.535 4.240 50 0 IIAAMN COC(=O)c1ccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000020734260 522105394 /nfs/dbraw/zinc/10/53/94/522105394.db2.gz CYAKFCCFNOXIMP-LJQANCHMSA-N 0 1 428.851 4.168 50 0 IIAAMN COC(=O)c1ccccc1C(=O)N(CCN(C)C)c1nc2c(ccc(Cl)c2C)s1 ZINC000022664366 522256449 /nfs/dbraw/zinc/25/64/49/522256449.db2.gz OUDNFVYIAMIHDX-UHFFFAOYSA-N 0 1 431.945 4.253 50 0 IIAAMN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCCN(C(C)=O)CC2)cc1F ZINC000012709745 523245510 /nfs/dbraw/zinc/24/55/10/523245510.db2.gz XINZYBCXGCOLLM-UHFFFAOYSA-N 0 1 436.531 4.050 50 0 IIAAMN CCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)cc(C)n1Cc1ccc(C)o1 ZINC000012191565 523691573 /nfs/dbraw/zinc/69/15/73/523691573.db2.gz IPVUYLZFSGBWPN-UHFFFAOYSA-N 0 1 447.579 4.063 50 0 IIAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)CSc2nc3ccccc3s2)CC1 ZINC000032970924 523925079 /nfs/dbraw/zinc/92/50/79/523925079.db2.gz QEIWJKFWYQVTBB-UHFFFAOYSA-N 0 1 433.002 4.432 50 0 IIAAMN Cc1ccc(CN2CCN(c3cccc4c3C(=O)N([C@H](C)c3nccs3)C4=O)CC2)cc1 ZINC000012217596 524462882 /nfs/dbraw/zinc/46/28/82/524462882.db2.gz WDZUCQDHRFFHME-GOSISDBHSA-N 0 1 446.576 4.131 50 0 IIAAMN C[C@H](NC(=S)Nc1ccc(Br)cc1)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000022031377 525277349 /nfs/dbraw/zinc/27/73/49/525277349.db2.gz BBNVNNBGIQAVNB-JXFKEZNVSA-N 0 1 447.446 4.113 50 0 IIAAMN COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000012930903 525357251 /nfs/dbraw/zinc/35/72/51/525357251.db2.gz GWWIBRFSRCTQIQ-KKSFZXQISA-N 0 1 447.373 4.178 50 0 IIAAMN COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1OC ZINC000021098361 525380475 /nfs/dbraw/zinc/38/04/75/525380475.db2.gz MQZBGDMDRWHZJC-XMMPIXPASA-N 0 1 438.524 4.096 50 0 IIAAMN C[C@@H](NC(=S)Nc1cccc(Br)c1)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000022031410 525386907 /nfs/dbraw/zinc/38/69/07/525386907.db2.gz SVUPCISOJZVYMW-UZLBHIALSA-N 0 1 447.446 4.113 50 0 IIAAMN COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CC[NH+](Cc4cccc5ccccc54)CC3)c2c1 ZINC000020738593 525494400 /nfs/dbraw/zinc/49/44/00/525494400.db2.gz FOQSFQXQVVFSFM-RUZDIDTESA-N 0 1 429.520 4.273 50 0 IIAAMN Cc1ccc([C@H](CN2CCOCC2)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000022786858 525955053 /nfs/dbraw/zinc/95/50/53/525955053.db2.gz YZFUPDCJFNBNRO-VWLOTQADSA-N 0 1 445.563 4.389 50 0 IIAAMN Cc1noc(-c2ccc(C)c(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c2)c1C ZINC000020977337 526449831 /nfs/dbraw/zinc/44/98/31/526449831.db2.gz WSJWGTIIWFYQHG-UHFFFAOYSA-N 0 1 439.581 4.210 50 0 IIAAMN O=C(NCc1cccc(F)c1)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035870683 526719509 /nfs/dbraw/zinc/71/95/09/526719509.db2.gz IXPQYWBERNZOIL-AZGAKELHSA-N 0 1 447.529 4.144 50 0 IIAAMN O=C(NCc1ccccc1F)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000035870691 526752821 /nfs/dbraw/zinc/75/28/21/526752821.db2.gz RMMDZNHRORDELP-OZXSUGGESA-N 0 1 447.529 4.144 50 0 IIAAMN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(-c2ccno2)cc1 ZINC000035539477 526865769 /nfs/dbraw/zinc/86/57/69/526865769.db2.gz PQHZMQUTVMUHMZ-UHFFFAOYSA-N 0 1 428.495 4.440 50 0 IIAAMN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000012552369 526979877 /nfs/dbraw/zinc/97/98/77/526979877.db2.gz SKKLCDGCJBAILW-UHFFFAOYSA-N 0 1 429.723 4.030 50 0 IIAAMN O=C(Nc1nc2ccccc2s1)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000021931265 527516200 /nfs/dbraw/zinc/51/62/00/527516200.db2.gz UULDJUSTBKBRIN-UHFFFAOYSA-N 0 1 444.925 4.398 50 0 IIAAMN CC(C)(C)c1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000000630528 555514675 /nfs/dbraw/zinc/51/46/75/555514675.db2.gz LCROMFQZYPODPZ-UHFFFAOYSA-N 0 1 433.537 4.137 50 0 IIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)n1 ZINC000000676985 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COc1ccc([C@H](CNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)N2CCCC2)cc1 ZINC000023487266 557363899 /nfs/dbraw/zinc/36/38/99/557363899.db2.gz XXIDCJBBQGGBNX-QHCPKHFHSA-N 0 1 436.531 4.204 50 0 IIAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000102896631 557410766 /nfs/dbraw/zinc/41/07/66/557410766.db2.gz UKTKRCWHPLYNAO-RHSMWYFYSA-N 0 1 448.976 4.077 50 0 IIAAMN O=C(NCC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000104916697 557465210 /nfs/dbraw/zinc/46/52/10/557465210.db2.gz VWOUUVXVJDQPNA-FYYLOGMGSA-N 0 1 443.513 4.095 50 0 IIAAMN CN(C)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140824 557528255 /nfs/dbraw/zinc/52/82/55/557528255.db2.gz LLXUEPTVHYXWBW-UHFFFAOYSA-N 0 1 437.565 4.155 50 0 IIAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCOC)c1 ZINC000008606608 562957075 /nfs/dbraw/zinc/95/70/75/562957075.db2.gz AYKOCONLZNUJFU-XMMPIXPASA-N 0 1 435.524 4.461 50 0 IIAAMN CCCN1CCN(c2nnc(-n3cccc3C(=O)Nc3cc(Cl)ccc3C)s2)CC1 ZINC000008673182 562961135 /nfs/dbraw/zinc/96/11/35/562961135.db2.gz CYFQXHFUXWMEQS-UHFFFAOYSA-N 0 1 444.992 4.075 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N[C@H]4CCCC[C@H]4C)c3=O)c2c1 ZINC000015936995 563019097 /nfs/dbraw/zinc/01/90/97/563019097.db2.gz OCTAEBMTFXYRGK-CJNGLKHVSA-N 0 1 428.558 4.024 50 0 IIAAMN COc1ccc(NC(=O)CCc2ccsc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000025167288 568645854 /nfs/dbraw/zinc/64/58/54/568645854.db2.gz FWKVNNLVGURUSO-UHFFFAOYSA-N 0 1 434.514 4.268 50 0 IIAAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000006144304 568846006 /nfs/dbraw/zinc/84/60/06/568846006.db2.gz AVMGLHIAHUGDSM-OAHLLOKOSA-N 0 1 427.453 4.055 50 0 IIAAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)c1csc2ccccc21 ZINC000575622142 568883212 /nfs/dbraw/zinc/88/32/12/568883212.db2.gz WLQJCWAJKFHGFI-KRWDZBQOSA-N 0 1 435.471 4.278 50 0 IIAAMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1cnc2c(F)cc(F)cc2c1O ZINC000240278288 568911978 /nfs/dbraw/zinc/91/19/78/568911978.db2.gz DQAUQTUIKBZMFW-MICWEPACSA-N 0 1 439.506 4.447 50 0 IIAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)Cc2ccccc2)c1OC ZINC000036103730 568953005 /nfs/dbraw/zinc/95/30/05/568953005.db2.gz NOVWJTGQGJLUPT-JOCHJYFZSA-N 0 1 435.520 4.038 50 0 IIAAMN Cc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)nc(N2CCCCC2)n1 ZINC000064801898 568961872 /nfs/dbraw/zinc/96/18/72/568961872.db2.gz CWMVPXBSZRLMCY-UHFFFAOYSA-N 0 1 441.532 4.459 50 0 IIAAMN COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COC(C)C)C2)cc1 ZINC000036146212 568962177 /nfs/dbraw/zinc/96/21/77/568962177.db2.gz UIFVZWRJBBORRM-GGAORHGYSA-N 0 1 446.975 4.130 50 0 IIAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O ZINC000036308882 568995690 /nfs/dbraw/zinc/99/56/90/568995690.db2.gz UNCAJBSARARORS-AVRDEDQJSA-N 0 1 430.614 4.079 50 0 IIAAMN CC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340393 569078724 /nfs/dbraw/zinc/07/87/24/569078724.db2.gz USPCUGPDMKJPEC-JOCHJYFZSA-N 0 1 434.559 4.075 50 0 IIAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000036370438 569088495 /nfs/dbraw/zinc/08/84/95/569088495.db2.gz UKTKRCWHPLYNAO-YOEHRIQHSA-N 0 1 448.976 4.077 50 0 IIAAMN Cc1ccc(-c2ncc(C(=O)NCCN3CCc4ccccc4C3)c(-c3ccncc3)n2)cc1 ZINC000065153920 569112207 /nfs/dbraw/zinc/11/22/07/569112207.db2.gz JGNCHWUDNYFKQN-UHFFFAOYSA-N 0 1 449.558 4.302 50 0 IIAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cnn(-c4ccccc4)c3C)nc21 ZINC000036642869 569130268 /nfs/dbraw/zinc/13/02/68/569130268.db2.gz HUXAOWHQWHEFLG-UHFFFAOYSA-N 0 1 449.580 4.316 50 0 IIAAMN C[C@@H](Oc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cn1)c1ccccc1 ZINC000065565681 569139381 /nfs/dbraw/zinc/13/93/81/569139381.db2.gz MJPHEEVYFKBFCL-HXUWFJFHSA-N 0 1 430.552 4.221 50 0 IIAAMN COc1cccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000027522929 569262739 /nfs/dbraw/zinc/26/27/39/569262739.db2.gz VESKUDXFZRDARF-DHIUTWEWSA-N 0 1 426.472 4.065 50 0 IIAAMN Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)[nH]c1-c1ccccc1 ZINC000079021168 569322429 /nfs/dbraw/zinc/32/24/29/569322429.db2.gz GLNGNWBRHBTCHH-LJQANCHMSA-N 0 1 446.490 4.177 50 0 IIAAMN COc1cc(Br)c(CNCCNc2ncccc2C(F)(F)F)cc1OC ZINC000079061159 569323886 /nfs/dbraw/zinc/32/38/86/569323886.db2.gz QAHREUSZTFLNQZ-UHFFFAOYSA-N 0 1 434.256 4.082 50 0 IIAAMN CCOC(=O)C1C(CN(Cc2ccco2)C2CCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000020284080 569358874 /nfs/dbraw/zinc/35/88/74/569358874.db2.gz HJDYSJLIBXYCGH-QHCPKHFHSA-N 0 1 437.540 4.286 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NC4CCCCC4)c3=O)c2c1 ZINC000020331304 569361004 /nfs/dbraw/zinc/36/10/04/569361004.db2.gz JDPXADIZDIHQLC-UHFFFAOYSA-N 0 1 428.558 4.168 50 0 IIAAMN COc1cccc([C@H](O)CNC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000095465224 569370641 /nfs/dbraw/zinc/37/06/41/569370641.db2.gz HZAGFLZZQOKFIY-WAOWUJCRSA-N 0 1 427.932 4.349 50 0 IIAAMN O=C(c1cccnc1Oc1cccnc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000095993296 569378390 /nfs/dbraw/zinc/37/83/90/569378390.db2.gz YHPWWEHHOWOVDZ-SFHVURJKSA-N 0 1 426.480 4.074 50 0 IIAAMN CCCSc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2N)CC1 ZINC000096027689 569380717 /nfs/dbraw/zinc/38/07/17/569380717.db2.gz BQQMDJWLMMDYSH-UHFFFAOYSA-N 0 1 426.630 4.103 50 0 IIAAMN CC(C)n1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cn1 ZINC000096114183 569382772 /nfs/dbraw/zinc/38/27/72/569382772.db2.gz SCHOYQFWXHFROD-INIZCTEOSA-N 0 1 432.432 4.090 50 0 biogenic IIAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1O ZINC000096116105 569383588 /nfs/dbraw/zinc/38/35/88/569383588.db2.gz WPTILOUEFDZEIH-OAHLLOKOSA-N 0 1 430.412 4.321 50 0 biogenic IIAAMN O=C(NCCc1cccs1)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000096457214 569400700 /nfs/dbraw/zinc/40/07/00/569400700.db2.gz UEDKFWSYNSLDHS-UKILVPOCSA-N 0 1 449.595 4.109 50 0 IIAAMN CCOc1cc(C(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)cc(OCC)c1OCC ZINC000225686920 569407189 /nfs/dbraw/zinc/40/71/89/569407189.db2.gz WSHSGPRXLKBUIJ-JOCHJYFZSA-N 0 1 438.568 4.156 50 0 IIAAMN CCc1ccc([C@@H](NCC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 ZINC000057270683 569430271 /nfs/dbraw/zinc/43/02/71/569430271.db2.gz SZICRIJKCGGZJH-RUZDIDTESA-N 0 1 435.593 4.465 50 0 IIAAMN CCOC(=O)[C@@H]1CCCN(Cc2c(C)c(C)sc2NC(=O)c2ccc(OC)cc2)C1 ZINC000008763682 569474583 /nfs/dbraw/zinc/47/45/83/569474583.db2.gz NAQALVNNGWXGJD-GOSISDBHSA-N 0 1 430.570 4.401 50 0 IIAAMN COC(=O)c1ccc(Sc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000008782063 569475779 /nfs/dbraw/zinc/47/57/79/569475779.db2.gz BPPYHOAQWRCJJL-UHFFFAOYSA-N 0 1 434.926 4.474 50 0 IIAAMN O=C(Nc1nc(-c2cccc(Br)c2)n[nH]1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000040047341 569483721 /nfs/dbraw/zinc/48/37/21/569483721.db2.gz PKHRARKJNJVULG-KRWDZBQOSA-N 0 1 443.301 4.044 50 0 IIAAMN C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008923156 569487096 /nfs/dbraw/zinc/48/70/96/569487096.db2.gz FDLUZKDBITXAIU-QFIPXVFZSA-N 0 1 447.623 4.395 50 0 IIAAMN O=C(Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000040115210 569489216 /nfs/dbraw/zinc/48/92/16/569489216.db2.gz PZUYYLMIEKZIKW-MRXNPFEDSA-N 0 1 448.850 4.277 50 0 IIAAMN O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1Cl ZINC000040146651 569492253 /nfs/dbraw/zinc/49/22/53/569492253.db2.gz VGFSXXNTIXZEGI-UHFFFAOYSA-N 0 1 426.723 4.148 50 0 IIAAMN COc1ccccc1[C@@H](CNC(=O)Cc1ccc(Br)cc1)N1CCCCC1 ZINC000040156820 569494211 /nfs/dbraw/zinc/49/42/11/569494211.db2.gz ADBUOGOKNAEHKF-HXUWFJFHSA-N 0 1 431.374 4.344 50 0 IIAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)c(Cl)c1 ZINC000040283348 569497833 /nfs/dbraw/zinc/49/78/33/569497833.db2.gz ZYJNMSVFFSCADL-LJQANCHMSA-N 0 1 428.851 4.168 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1 ZINC000009126395 569504925 /nfs/dbraw/zinc/50/49/25/569504925.db2.gz YCYLUHDXSOWDGH-UHFFFAOYSA-N 0 1 444.940 4.422 50 0 IIAAMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009255475 569516612 /nfs/dbraw/zinc/51/66/12/569516612.db2.gz ZLORHBRBHXGMNX-NRFANRHFSA-N 0 1 444.560 4.014 50 0 IIAAMN CC(C)CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)c1 ZINC000009409210 569530929 /nfs/dbraw/zinc/53/09/29/569530929.db2.gz PNULKKUDTJYQIQ-DEOSSOPVSA-N 0 1 435.524 4.135 50 0 IIAAMN Cc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009490631 569540257 /nfs/dbraw/zinc/54/02/57/569540257.db2.gz QKCPATSARLLGKT-UHFFFAOYSA-N 0 1 439.928 4.110 50 0 IIAAMN CCc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCC(=O)N(CC)c1cccc(C)c1 ZINC000009490754 569540303 /nfs/dbraw/zinc/54/03/03/569540303.db2.gz JSYCRDOFEWUFHJ-UHFFFAOYSA-N 0 1 447.564 4.125 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)cc(C)c2)c1 ZINC000009590936 569550095 /nfs/dbraw/zinc/55/00/95/569550095.db2.gz MQWMWOOJFOLONC-UHFFFAOYSA-N 0 1 440.521 4.374 50 0 IIAAMN COc1ccc(-c2csc(NC(=O)CSc3nc4ccc(OC)cc4[nH]3)n2)cc1 ZINC000009633618 569554306 /nfs/dbraw/zinc/55/43/06/569554306.db2.gz MCSRWSKTZGUCOV-UHFFFAOYSA-N 0 1 426.523 4.434 50 0 IIAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(C(C)C)cc3)c2)on1 ZINC000009637774 569554879 /nfs/dbraw/zinc/55/48/79/569554879.db2.gz WLOFUALUFLWZFQ-UHFFFAOYSA-N 0 1 444.509 4.451 50 0 IIAAMN Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000009707415 569561531 /nfs/dbraw/zinc/56/15/31/569561531.db2.gz BDWRLXMQUPJFQE-UHFFFAOYSA-N 0 1 425.897 4.148 50 0 IIAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000009731820 569564761 /nfs/dbraw/zinc/56/47/61/569564761.db2.gz ITADHJPHFDMQDG-UHFFFAOYSA-N 0 1 433.980 4.447 50 0 IIAAMN COc1ccccc1NC(=O)Cc1noc(CSc2nc(Cc3ccccc3)c(C)[nH]2)n1 ZINC000009946674 569574157 /nfs/dbraw/zinc/57/41/57/569574157.db2.gz QYWUNOMGLIZXBG-UHFFFAOYSA-N 0 1 449.536 4.174 50 0 IIAAMN CN(C)CCN(C(=O)CCSc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010065980 569577602 /nfs/dbraw/zinc/57/76/02/569577602.db2.gz DPJXKFQOPJCXTC-UHFFFAOYSA-N 0 1 429.567 4.102 50 0 IIAAMN CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000010272190 569580167 /nfs/dbraw/zinc/58/01/67/569580167.db2.gz KOYUWAIPMTZSDI-QGZVFWFLSA-N 0 1 430.386 4.465 50 0 IIAAMN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN(C)CCC ZINC000035991202 569587774 /nfs/dbraw/zinc/58/77/74/569587774.db2.gz BVKMIEHVOIXSEG-IBGZPJMESA-N 0 1 440.371 4.405 50 0 IIAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000004792110 132274187 /nfs/dbraw/zinc/27/41/87/132274187.db2.gz FAOTZLONEYCIAV-UHFFFAOYSA-N 0 1 445.405 4.400 50 0 IIAAMN CC(=O)[C@@H]1C(=C(O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3ccccc3N21 ZINC000015998986 518211525 /nfs/dbraw/zinc/21/15/25/518211525.db2.gz OJNVTMSOKHBJLS-XVOBZGQLSA-N 0 1 449.510 4.034 50 0 IIAAMN CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 ZINC000012259040 519087161 /nfs/dbraw/zinc/08/71/61/519087161.db2.gz PDAQLLZLZCMQML-UHFFFAOYSA-N 0 1 427.505 4.224 50 0 IIAAMN CC(=O)Nc1ccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000012896304 519722725 /nfs/dbraw/zinc/72/27/25/519722725.db2.gz KOWUNORDDLYHFY-UHFFFAOYSA-N 0 1 444.443 4.142 50 0 biogenic IIAAMN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000012749959 520463263 /nfs/dbraw/zinc/46/32/63/520463263.db2.gz LCEZHSAFZVIPCZ-OAQYLSRUSA-N 0 1 429.536 4.116 50 0 IIAAMN CCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCO)c1 ZINC000021782752 520909107 /nfs/dbraw/zinc/90/91/07/520909107.db2.gz DTGNTMPOPSDAAW-XMMPIXPASA-N 0 1 435.524 4.197 50 0 IIAAMN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012520889 521775948 /nfs/dbraw/zinc/77/59/48/521775948.db2.gz MVJSEPBNSXKHRV-UHFFFAOYSA-N 0 1 448.722 4.073 50 0 IIAAMN CN(C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc(F)c1 ZINC000022241933 522082768 /nfs/dbraw/zinc/08/27/68/522082768.db2.gz NQCUIHHXIDPIAU-HSZRJFAPSA-N 0 1 429.499 4.106 50 0 IIAAMN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=S)NC(C)C)N(Cc1cccc(C)c1)CC2 ZINC000036043255 523048292 /nfs/dbraw/zinc/04/82/92/523048292.db2.gz GUGWXKDUQGFROS-KOSHJBKYSA-N 0 1 441.641 4.373 50 0 IIAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000020678111 523191605 /nfs/dbraw/zinc/19/16/05/523191605.db2.gz SYNSWVZVKSDQSL-UHFFFAOYSA-N 0 1 433.600 4.359 50 0 IIAAMN CCn1ncc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1C ZINC000012707469 523690533 /nfs/dbraw/zinc/69/05/33/523690533.db2.gz FFIXQWFWYGWTHK-UHFFFAOYSA-N 0 1 426.952 4.151 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccccc1)=N2 ZINC000035372797 523786167 /nfs/dbraw/zinc/78/61/67/523786167.db2.gz KMGKFPFNHQZVOA-UHFFFAOYSA-N 0 1 426.973 4.335 50 0 IIAAMN COCCNC(=O)c1ccc(OC2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000014977976 523926575 /nfs/dbraw/zinc/92/65/75/523926575.db2.gz IQXDHZLPYZKWID-VMPITWQZSA-N 0 1 428.960 4.273 50 0 IIAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(OC)c3)ccc2OC)cc1 ZINC000012508067 523995755 /nfs/dbraw/zinc/99/57/55/523995755.db2.gz ZQEWUHVXAIPWJP-UHFFFAOYSA-N 0 1 440.521 4.319 50 0 IIAAMN Cc1cccc(C(=O)N(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000012584476 524164646 /nfs/dbraw/zinc/16/46/46/524164646.db2.gz KTFDRRVXGGXCSB-JOCHJYFZSA-N 0 1 425.548 4.063 50 0 IIAAMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)n1 ZINC000012591837 524190093 /nfs/dbraw/zinc/19/00/93/524190093.db2.gz HFBWJKVGAVZHIK-LBPRGKRZSA-N 0 1 431.949 4.319 50 0 IIAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000035372741 524229984 /nfs/dbraw/zinc/22/99/84/524229984.db2.gz YDNPRROOAJSORH-UHFFFAOYSA-N 0 1 442.535 4.268 50 0 IIAAMN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3OC(F)F)N3CCC[C@@]23C1=O ZINC000012459828 524456092 /nfs/dbraw/zinc/45/60/92/524456092.db2.gz YRCQLRQDBXPISL-KDLAUNOPSA-N 0 1 428.479 4.235 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SC[C@H]3CCCCO3)nc2c1 ZINC000022132620 524645175 /nfs/dbraw/zinc/64/51/75/524645175.db2.gz FHJDSUZGKLZGPS-CQSZACIVSA-N 0 1 434.539 4.298 50 0 IIAAMN Cc1cc(NC(=O)CCN2CCN(C/C=C\c3ccccc3)CC2)ccc1Br ZINC000022032064 525125185 /nfs/dbraw/zinc/12/51/85/525125185.db2.gz JRETUHZRKDIGLD-YVMONPNESA-N 0 1 442.401 4.417 50 0 IIAAMN Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000013056045 525130014 /nfs/dbraw/zinc/13/00/14/525130014.db2.gz HPRGUMLHCVUNEO-QGZVFWFLSA-N 0 1 435.490 4.309 50 0 IIAAMN Cc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3nccnc32)c(C)c1 ZINC000022735937 525327847 /nfs/dbraw/zinc/32/78/47/525327847.db2.gz GJEVYKPLTGESMH-UHFFFAOYSA-N 0 1 425.540 4.102 50 0 IIAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@H](C)c1ccccc1Br ZINC000012852401 525462662 /nfs/dbraw/zinc/46/26/62/525462662.db2.gz INYKJPAXSAWJTH-CYBMUJFWSA-N 0 1 446.320 4.186 50 0 IIAAMN Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)sc2ncnc(NC3CCCC3)c12 ZINC000012211981 525647403 /nfs/dbraw/zinc/64/74/03/525647403.db2.gz BKSPUECVFRMPJT-IBGZPJMESA-N 0 1 435.597 4.359 50 0 IIAAMN Cc1c(NC(=O)CN[C@H](c2cccs2)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000012749015 525836010 /nfs/dbraw/zinc/83/60/10/525836010.db2.gz GOVUNSUTMZIYJN-DEOSSOPVSA-N 0 1 446.576 4.172 50 0 IIAAMN O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCCCc1ccncc1 ZINC000020906109 526495787 /nfs/dbraw/zinc/49/57/87/526495787.db2.gz MBEJAVWIJMWJNE-VWLOTQADSA-N 0 1 433.527 4.296 50 0 IIAAMN O=C(CCc1ccc2c(c1)OCO2)N1CCC(c2[nH]ncc2CCc2ccccc2)CC1 ZINC000012244742 526598424 /nfs/dbraw/zinc/59/84/24/526598424.db2.gz DQMWGXFBKXGHCY-UHFFFAOYSA-N 0 1 431.536 4.262 50 0 IIAAMN O=C(CN1CCSc2ccccc21)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000021093607 526799197 /nfs/dbraw/zinc/79/91/97/526799197.db2.gz KXLZSSJGOIQRMK-UHFFFAOYSA-N 0 1 430.017 4.281 50 0 IIAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)N1CCCc2ccccc21 ZINC000013121196 527051424 /nfs/dbraw/zinc/05/14/24/527051424.db2.gz CSYULYPJLYYTSI-UHFFFAOYSA-N 0 1 429.343 4.306 50 0 IIAAMN O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc(C(F)(F)F)c1 ZINC000018992360 527186805 /nfs/dbraw/zinc/18/68/05/527186805.db2.gz HKONUCHUSPMCRD-MRXNPFEDSA-N 0 1 446.406 4.229 50 0 IIAAMN O=C(Nc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000035894124 527203829 /nfs/dbraw/zinc/20/38/29/527203829.db2.gz UYUUSTHGNKNXCK-NOZRDPDXSA-N 0 1 433.502 4.467 50 0 IIAAMN O=S(=O)(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1Br ZINC000012652199 527251651 /nfs/dbraw/zinc/25/16/51/527251651.db2.gz MLFQHAAYMPHLAL-UHFFFAOYSA-N 0 1 438.372 4.460 50 0 IIAAMN O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccc(Cl)cn12 ZINC000023695156 527477620 /nfs/dbraw/zinc/47/76/20/527477620.db2.gz HUKMQJNGECSACI-UHFFFAOYSA-N 0 1 444.966 4.255 50 0 IIAAMN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000000790783 555557122 /nfs/dbraw/zinc/55/71/22/555557122.db2.gz VABLAQXSRAGZNU-HNNXBMFYSA-N 0 1 445.928 4.250 50 0 IIAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)cc1C ZINC000001056914 555614531 /nfs/dbraw/zinc/61/45/31/555614531.db2.gz IFDVHUMRHDYYFW-UHFFFAOYSA-N 0 1 429.929 4.083 50 0 IIAAMN CCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C(C)C)CC1)C(C)C ZINC000034835673 555913936 /nfs/dbraw/zinc/91/39/36/555913936.db2.gz AOLJCXXMWKLYKO-UHFFFAOYSA-N 0 1 443.611 4.387 50 0 IIAAMN CCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034922069 555932340 /nfs/dbraw/zinc/93/23/40/555932340.db2.gz FJQKEKQNCWTLBZ-DEOSSOPVSA-N 0 1 441.579 4.093 50 0 IIAAMN Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccn2-c2ccccn2)CC1 ZINC000011666543 556346130 /nfs/dbraw/zinc/34/61/30/556346130.db2.gz FPKZDLNPKSLMMR-UHFFFAOYSA-N 0 1 440.551 4.467 50 0 IIAAMN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000014123264 556372583 /nfs/dbraw/zinc/37/25/83/556372583.db2.gz ALHABFJNRFTSGM-UHFFFAOYSA-N 0 1 441.563 4.091 50 0 IIAAMN COc1ccc(CN2CCCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)cc1 ZINC000027915230 556435170 /nfs/dbraw/zinc/43/51/70/556435170.db2.gz REDUOPQFOGHFAN-UHFFFAOYSA-N 0 1 443.547 4.296 50 0 IIAAMN CC(C)N1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000014741694 556438744 /nfs/dbraw/zinc/43/87/44/556438744.db2.gz RVWBLGXHAZXMLV-UHFFFAOYSA-N 0 1 444.579 4.418 50 0 IIAAMN Cc1cc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013115568 556468264 /nfs/dbraw/zinc/46/82/64/556468264.db2.gz CYKMITRPCRUMNB-UHFFFAOYSA-N 0 1 447.520 4.037 50 0 IIAAMN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@@H]1CCCc2ccccc21 ZINC000013117909 556471044 /nfs/dbraw/zinc/47/10/44/556471044.db2.gz RDQPKEVCDRGJSB-LJQANCHMSA-N 0 1 429.446 4.234 50 0 IIAAMN O=C(CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCc1ccc2c(c1)OCO2 ZINC000014983554 556471664 /nfs/dbraw/zinc/47/16/64/556471664.db2.gz QWNYPBWALUMYMN-RUZDIDTESA-N 0 1 448.494 4.197 50 0 IIAAMN O=C(CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCc1ccc2c(c1)OCO2 ZINC000014983551 556471681 /nfs/dbraw/zinc/47/16/81/556471681.db2.gz QWNYPBWALUMYMN-VWLOTQADSA-N 0 1 448.494 4.197 50 0 IIAAMN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)cc1 ZINC000015074299 556498433 /nfs/dbraw/zinc/49/84/33/556498433.db2.gz QUSADPXRZUPWIM-GOSISDBHSA-N 0 1 435.524 4.197 50 0 IIAAMN CC(C)Cc1cc(-c2nn3c(COc4ccc(Br)cc4)nnc3s2)[nH]n1 ZINC000013571604 556522262 /nfs/dbraw/zinc/52/22/62/556522262.db2.gz MVGJVEUXCZQCCM-UHFFFAOYSA-N 0 1 433.335 4.116 50 0 IIAAMN COc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1Cl ZINC000032899231 556524573 /nfs/dbraw/zinc/52/45/73/556524573.db2.gz BWCYRTWFHFKYHP-ROUUACIJSA-N 0 1 446.975 4.157 50 0 IIAAMN COc1ccc(Br)cc1CN(C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000016044067 556578612 /nfs/dbraw/zinc/57/86/12/556578612.db2.gz UTYSQDNUTFAYOB-SIKLNZKXSA-N 0 1 434.374 4.345 50 0 IIAAMN CCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1)Cc1ccccc1F ZINC000034836496 556583179 /nfs/dbraw/zinc/58/31/79/556583179.db2.gz PLROOPJWQRQLHN-UHFFFAOYSA-N 0 1 439.554 4.233 50 0 IIAAMN COc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000016179207 556587262 /nfs/dbraw/zinc/58/72/62/556587262.db2.gz VEQXRNBPKDBWRB-UHFFFAOYSA-N 0 1 432.473 4.406 50 0 IIAAMN Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1C ZINC000046009503 556690991 /nfs/dbraw/zinc/69/09/91/556690991.db2.gz SGRKPPRAYHLRKC-UHFFFAOYSA-N 0 1 437.521 4.087 50 0 IIAAMN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055252565 556739041 /nfs/dbraw/zinc/73/90/41/556739041.db2.gz HMKFSLLMQOKBEB-HSZRJFAPSA-N 0 1 429.967 4.225 50 0 IIAAMN Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)CC1 ZINC000055575264 556742516 /nfs/dbraw/zinc/74/25/16/556742516.db2.gz QKPPKJJERFBBGS-QHCPKHFHSA-N 0 1 430.596 4.222 50 0 IIAAMN O=C(COc1ccc(Br)cc1F)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000057991938 556750885 /nfs/dbraw/zinc/75/08/85/556750885.db2.gz VQTGPUYBHZQKMC-QGZVFWFLSA-N 0 1 434.265 4.334 50 0 IIAAMN CN(C(=O)CN1CCC[C@H]1Cc1ccc(F)cc1)c1ccccc1C(=O)NCc1ccco1 ZINC000058015469 556754034 /nfs/dbraw/zinc/75/40/34/556754034.db2.gz PEPRLGZFPNNOJX-NRFANRHFSA-N 0 1 449.526 4.019 50 0 IIAAMN Cc1ccccc1CN1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1 ZINC000058087631 556757288 /nfs/dbraw/zinc/75/72/88/556757288.db2.gz OHFXRQXIVDCTFH-UHFFFAOYSA-N 0 1 432.959 4.159 50 0 IIAAMN O=C(CNC1(c2ccc(F)cc2)CCC1)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000058178041 556769735 /nfs/dbraw/zinc/76/97/35/556769735.db2.gz VBRVDOWNQLSOCZ-SFHVURJKSA-N 0 1 435.421 4.101 50 0 IIAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 ZINC000072402944 556818778 /nfs/dbraw/zinc/81/87/78/556818778.db2.gz QTVWQBMKKDZLKJ-KRWDZBQOSA-N 0 1 429.484 4.292 50 0 IIAAMN Cc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(N2CCCCC2)n1 ZINC000064800177 556827318 /nfs/dbraw/zinc/82/73/18/556827318.db2.gz JYHMULNBIJXGRV-UHFFFAOYSA-N 0 1 448.493 4.148 50 0 IIAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1 ZINC000033171045 556882145 /nfs/dbraw/zinc/88/21/45/556882145.db2.gz PDYLOPMQCIBZOY-WQLSENKSSA-N 0 1 441.509 4.230 50 0 IIAAMN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc4c(cccc4NC(C)=O)n3)C2)cc1OC ZINC000020117803 556987154 /nfs/dbraw/zinc/98/71/54/556987154.db2.gz PVMAPOCKCHKYBN-LJQANCHMSA-N 0 1 447.535 4.305 50 0 IIAAMN CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(-c2ccc(OC)nn2)c1 ZINC000017315631 557056624 /nfs/dbraw/zinc/05/66/24/557056624.db2.gz URQTUNJTZZMJGN-UHFFFAOYSA-N 0 1 427.526 4.475 50 0 IIAAMN CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1 ZINC000082230222 557061600 /nfs/dbraw/zinc/06/16/00/557061600.db2.gz PFNYEWJUQSGJPV-UHFFFAOYSA-N 0 1 442.873 4.243 50 0 IIAAMN CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)cc2s1 ZINC000033299014 557075078 /nfs/dbraw/zinc/07/50/78/557075078.db2.gz FHQMCFFUJFTLHD-UHFFFAOYSA-N 0 1 448.950 4.073 50 0 IIAAMN Cc1ccc([C@H](CN2CCOCC2)NCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 ZINC000023473069 557093482 /nfs/dbraw/zinc/09/34/82/557093482.db2.gz NPVBOPAYCCHBAB-VWLOTQADSA-N 0 1 437.584 4.038 50 0 IIAAMN C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096924588 557206237 /nfs/dbraw/zinc/20/62/37/557206237.db2.gz IHJMIXWCRQUKHR-JOCHJYFZSA-N 0 1 425.576 4.371 50 0 IIAAMN CC(C)Oc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000011614655 557211150 /nfs/dbraw/zinc/21/11/50/557211150.db2.gz MPLCEBMWGZXIDL-NRFANRHFSA-N 0 1 440.927 4.340 50 0 IIAAMN C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000025686251 557221937 /nfs/dbraw/zinc/22/19/37/557221937.db2.gz LHFCOSXJZHHTIH-HNNXBMFYSA-N 0 1 433.533 4.316 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000018066496 557234649 /nfs/dbraw/zinc/23/46/49/557234649.db2.gz BFNZJMMKTNKZMB-SMIHKQSGSA-N 0 1 444.487 4.063 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000018066496 557234652 /nfs/dbraw/zinc/23/46/52/557234652.db2.gz BFNZJMMKTNKZMB-SMIHKQSGSA-N 0 1 444.487 4.063 50 0 IIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2 ZINC000027663949 557269974 /nfs/dbraw/zinc/26/99/74/557269974.db2.gz DIUKKTKSBHWNIH-XMMPIXPASA-N 0 1 443.434 4.396 50 0 IIAAMN COc1ccc(C(C)(C)C)cc1NC(=O)CCc1c(C)[nH]n(-c2ccc(F)cc2)c1=O ZINC000014129053 557308186 /nfs/dbraw/zinc/30/81/86/557308186.db2.gz ITCKPNNOOYJRFK-UHFFFAOYSA-N 0 1 425.504 4.491 50 0 IIAAMN Cc1cccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4ccccc4F)n3)n2)c1 ZINC000033270826 557328617 /nfs/dbraw/zinc/32/86/17/557328617.db2.gz HWZAPHPLBFKXOI-UHFFFAOYSA-N 0 1 438.488 4.166 50 0 IIAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220675548 557364318 /nfs/dbraw/zinc/36/43/18/557364318.db2.gz HAORELBYUZLHQL-CQSZACIVSA-N 0 1 437.500 4.422 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000102735632 557373221 /nfs/dbraw/zinc/37/32/21/557373221.db2.gz PUCZXUVHKHVZFL-WXFUMESZSA-N 0 1 444.487 4.063 50 0 IIAAMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)c1 ZINC000006023514 562945951 /nfs/dbraw/zinc/94/59/51/562945951.db2.gz ZUEYTAMDDUFKEF-UHFFFAOYSA-N 0 1 429.929 4.083 50 0 IIAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000008840975 562965146 /nfs/dbraw/zinc/96/51/46/562965146.db2.gz DWPDGICSJSPMQG-UHFFFAOYSA-N 0 1 436.961 4.475 50 0 IIAAMN CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2C)c(=O)[nH]1 ZINC000013144754 562985284 /nfs/dbraw/zinc/98/52/84/562985284.db2.gz CIYDPHZHTHVDLO-UHFFFAOYSA-N 0 1 434.612 4.082 50 0 IIAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CCc4ccc(OC)cc4)ccc3n2)CC1 ZINC000020108653 563023724 /nfs/dbraw/zinc/02/37/24/563023724.db2.gz WKMSGMMIFOIUKL-UHFFFAOYSA-N 0 1 432.568 4.265 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982911 568623984 /nfs/dbraw/zinc/62/39/84/568623984.db2.gz OEUVVJJOOWYKOU-FCHUYYIVSA-N 0 1 434.939 4.260 50 0 IIAAMN Cc1c(C(=O)NC[C@@H](c2ccsc2)N(C)C)cnn1-c1ccc(Br)cc1 ZINC000025332282 568652567 /nfs/dbraw/zinc/65/25/67/568652567.db2.gz AIKJJATXETUQRT-SFHVURJKSA-N 0 1 433.375 4.037 50 0 IIAAMN COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000003407659 568748523 /nfs/dbraw/zinc/74/85/23/568748523.db2.gz SDQZXEVTUMYBOV-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1C ZINC000015745040 568819691 /nfs/dbraw/zinc/81/96/91/568819691.db2.gz BHMHQYBFQNPJRR-SFHVURJKSA-N 0 1 438.549 4.338 50 0 IIAAMN O=C(Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21)NCc1ccc(F)cc1 ZINC000015828371 568841214 /nfs/dbraw/zinc/84/12/14/568841214.db2.gz ZEXFZFXGTWRLQY-UHFFFAOYSA-N 0 1 447.514 4.133 50 0 IIAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000016130952 568871434 /nfs/dbraw/zinc/87/14/34/568871434.db2.gz AIOSGYQIUULUAE-UHFFFAOYSA-N 0 1 425.348 4.249 50 0 IIAAMN Clc1ccc(OCCN2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000054290443 568936891 /nfs/dbraw/zinc/93/68/91/568936891.db2.gz RKCRTIJYMQXJHG-UHFFFAOYSA-N 0 1 428.989 4.425 50 0 IIAAMN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2cccc(C)c2)n[nH]1 ZINC000002064035 568941242 /nfs/dbraw/zinc/94/12/42/568941242.db2.gz UPFUQINPNFRDGY-UHFFFAOYSA-N 0 1 430.555 4.366 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146019 568962060 /nfs/dbraw/zinc/96/20/60/568962060.db2.gz OEUVVJJOOWYKOU-VXKWHMMOSA-N 0 1 434.939 4.260 50 0 IIAAMN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@@H](O)COc3ccccc3C)n2)cc1 ZINC000036147609 568962562 /nfs/dbraw/zinc/96/25/62/568962562.db2.gz LHEMCXZNZLVSGG-JOCHJYFZSA-N 0 1 447.535 4.431 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CCCCC1 ZINC000036161377 568967396 /nfs/dbraw/zinc/96/73/96/568967396.db2.gz CTGVYPRVVMKBHQ-WMZOPIPTSA-N 0 1 447.645 4.030 50 0 IIAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2cccc(Cl)c2)C[C@@H](O)COC(C)C)C1 ZINC000169680055 568990390 /nfs/dbraw/zinc/99/03/90/568990390.db2.gz INUWNWKBCWJEAU-YADHBBJMSA-N 0 1 430.976 4.430 50 0 IIAAMN CCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)CC)CC2)c1Cc1ccc(F)cc1 ZINC000036340806 569078522 /nfs/dbraw/zinc/07/85/22/569078522.db2.gz LKWGUUDFGGUGEK-HSZRJFAPSA-N 0 1 448.586 4.329 50 0 IIAAMN COC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346309 569081173 /nfs/dbraw/zinc/08/11/73/569081173.db2.gz QEBJXROQZVOATB-NRFANRHFSA-N 0 1 427.520 4.330 50 0 IIAAMN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1C ZINC000065194616 569114697 /nfs/dbraw/zinc/11/46/97/569114697.db2.gz PSCJDSRAGVHVGC-UHFFFAOYSA-N 0 1 428.514 4.056 50 0 IIAAMN CCCN1c2ncccc2Oc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2C1=O ZINC000065241598 569118897 /nfs/dbraw/zinc/11/88/97/569118897.db2.gz IGRZFALEQAFXJQ-UHFFFAOYSA-N 0 1 439.493 4.054 50 0 IIAAMN CCCN1CCN(C(=O)C2CCN(c3nc4ccc(-c5ccccc5)nc4s3)CC2)CC1 ZINC000065272078 569128910 /nfs/dbraw/zinc/12/89/10/569128910.db2.gz PBWPJFPLASBHSV-UHFFFAOYSA-N 0 1 449.624 4.129 50 0 IIAAMN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c(Br)c1 ZINC000253424810 569267058 /nfs/dbraw/zinc/26/70/58/569267058.db2.gz IGQMJYDFHKTISA-UHFFFAOYSA-N 0 1 446.326 4.206 50 0 IIAAMN Cc1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000019363150 569319012 /nfs/dbraw/zinc/31/90/12/569319012.db2.gz VNLCTNXQRFQKHM-SANMLTNESA-N 0 1 430.592 4.450 50 0 IIAAMN CCOC(=O)C1C(CN(CC)c2ccccc2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214562 569356414 /nfs/dbraw/zinc/35/64/14/569356414.db2.gz JLBLATKBONRCTH-QHCPKHFHSA-N 0 1 437.540 4.171 50 0 IIAAMN C[C@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000095348916 569361594 /nfs/dbraw/zinc/36/15/94/569361594.db2.gz WPSDIQQDGGFJGF-QFQXNSOFSA-N 0 1 430.596 4.059 50 0 IIAAMN O=c1ccc2ccc(OCCCN3CCN(Cc4ccccc4C(F)(F)F)CC3)cc2o1 ZINC000096028217 569380910 /nfs/dbraw/zinc/38/09/10/569380910.db2.gz KTLBZZSNGZQMCR-UHFFFAOYSA-N 0 1 446.469 4.399 50 0 IIAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)N[C@]12C(=O)Nc1ccc(F)cc12 ZINC000057140214 569429740 /nfs/dbraw/zinc/42/97/40/569429740.db2.gz IJCOKYYBNXISKF-JCEJCQQGSA-N 0 1 445.922 4.298 50 0 IIAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccc(O)cc2)CC(=O)O4)cc1O ZINC000217671781 569451501 /nfs/dbraw/zinc/45/15/01/569451501.db2.gz DZZMCXMLGHKYLT-HNNXBMFYSA-N 0 1 446.411 4.026 50 0 biogenic IIAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2cccc(F)c2)CC(=O)O4)cc1O ZINC000217724740 569452280 /nfs/dbraw/zinc/45/22/80/569452280.db2.gz AQKLQKZAWSXBGH-HNNXBMFYSA-N 0 1 448.402 4.460 50 0 biogenic IIAAMN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000032093366 569459686 /nfs/dbraw/zinc/45/96/86/569459686.db2.gz LGOHZKLDEZMZMC-FQEVSTJZSA-N 0 1 432.446 4.228 50 0 IIAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000008845247 569478761 /nfs/dbraw/zinc/47/87/61/569478761.db2.gz SMFZATJZXBGQKC-DEOSSOPVSA-N 0 1 445.475 4.446 50 0 IIAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000008845720 569478962 /nfs/dbraw/zinc/47/89/62/569478962.db2.gz CJJRLKPMBMCENQ-XMMPIXPASA-N 0 1 426.476 4.240 50 0 IIAAMN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000008881140 569482908 /nfs/dbraw/zinc/48/29/08/569482908.db2.gz MIDLPEMOZTUROH-SANMLTNESA-N 0 1 441.575 4.437 50 0 IIAAMN O=C(Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000040115208 569489268 /nfs/dbraw/zinc/48/92/68/569489268.db2.gz PZUYYLMIEKZIKW-INIZCTEOSA-N 0 1 448.850 4.277 50 0 IIAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1 ZINC000008961078 569490918 /nfs/dbraw/zinc/49/09/18/569490918.db2.gz TZSSMTVDEPSPNN-UHFFFAOYSA-N 0 1 438.505 4.441 50 0 IIAAMN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000008974241 569492839 /nfs/dbraw/zinc/49/28/39/569492839.db2.gz CAQNQCRVOOFREX-KRWDZBQOSA-N 0 1 443.834 4.223 50 0 IIAAMN CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)CC1CC1 ZINC000245279435 569502003 /nfs/dbraw/zinc/50/20/03/569502003.db2.gz FKTPIQFLWJFSKO-NZQKXSOJSA-N 0 1 442.625 4.044 50 0 IIAAMN CCc1cccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1 ZINC000040450470 569506363 /nfs/dbraw/zinc/50/63/63/569506363.db2.gz OETAQUBIGPHMGF-UHFFFAOYSA-N 0 1 449.370 4.111 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172604 569509586 /nfs/dbraw/zinc/50/95/86/569509586.db2.gz DUPDIBYKMZSBSS-UHFFFAOYSA-N 0 1 446.569 4.212 50 0 IIAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)c1 ZINC000009293089 569520186 /nfs/dbraw/zinc/52/01/86/569520186.db2.gz UXYVNIMAONWVLO-HSZRJFAPSA-N 0 1 426.476 4.245 50 0 IIAAMN CC[NH+](CC)c1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000009425308 569533214 /nfs/dbraw/zinc/53/32/14/569533214.db2.gz LWZUAMNTCOBACY-XMHGGMMESA-N 0 1 426.904 4.155 50 0 IIAAMN CCN(CC)c1cc(C)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1 ZINC000009572543 569547811 /nfs/dbraw/zinc/54/78/11/569547811.db2.gz LOZUMPXDAIRHBE-UHFFFAOYSA-N 0 1 429.521 4.315 50 0 IIAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)COc3ccc(Cl)cc3)nc21 ZINC000009603955 569551828 /nfs/dbraw/zinc/55/18/28/569551828.db2.gz CADSCKHSUSMLDE-UHFFFAOYSA-N 0 1 433.961 4.322 50 0 IIAAMN COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000009969175 569576064 /nfs/dbraw/zinc/57/60/64/569576064.db2.gz XKKCLQKMKBESHA-IBGZPJMESA-N 0 1 441.528 4.279 50 0 IIAAMN Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2nc(C)nc(N3CCN(C)CC3)c12 ZINC000002911932 132258544 /nfs/dbraw/zinc/25/85/44/132258544.db2.gz BWAQDNANTCSEND-UHFFFAOYSA-N 0 1 429.977 4.274 50 0 IIAAMN Cc1ccc2nc(N3CCC(C(=O)N4CCN(c5cc(C)ccc5C)CC4)CC3)[nH]c2c1 ZINC000008599356 132285855 /nfs/dbraw/zinc/28/58/55/132285855.db2.gz DAUNZUDONQTCMX-UHFFFAOYSA-N 0 1 431.584 4.053 50 0 IIAAMN CCOc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc(OCC)c1OCC ZINC000011722353 132339357 /nfs/dbraw/zinc/33/93/57/132339357.db2.gz IPDWFTXEEPSIRE-UHFFFAOYSA-N 0 1 441.572 4.195 50 0 IIAAMN CCCCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCO)c1 ZINC000021782749 520909208 /nfs/dbraw/zinc/90/92/08/520909208.db2.gz DTGNTMPOPSDAAW-DEOSSOPVSA-N 0 1 435.524 4.197 50 0 IIAAMN CCOc1ccc(C[N@@H+](CCOC)Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)cc1 ZINC000033126314 520964258 /nfs/dbraw/zinc/96/42/58/520964258.db2.gz CCOGRKNTNMGFOC-UHFFFAOYSA-N 0 1 446.551 4.045 50 0 IIAAMN CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000012684049 521333307 /nfs/dbraw/zinc/33/33/07/521333307.db2.gz VUQFKYQUFKOWJA-UHFFFAOYSA-N 0 1 437.565 4.253 50 0 IIAAMN COc1cc(-c2n[nH]cc2CN2CCC(Oc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000012206901 521901712 /nfs/dbraw/zinc/90/17/12/521901712.db2.gz MFDHKMOGCCLNDQ-UHFFFAOYSA-N 0 1 437.540 4.454 50 0 IIAAMN CN(C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc(F)c1 ZINC000022241932 522027051 /nfs/dbraw/zinc/02/70/51/522027051.db2.gz NQCUIHHXIDPIAU-QHCPKHFHSA-N 0 1 429.499 4.106 50 0 IIAAMN CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000012603489 522516596 /nfs/dbraw/zinc/51/65/96/522516596.db2.gz BIYPFAYMLVNITI-UHFFFAOYSA-N 0 1 447.720 4.203 50 0 IIAAMN COCc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)o1 ZINC000012584682 522971596 /nfs/dbraw/zinc/97/15/96/522971596.db2.gz INEXSTLAVJTVND-UHFFFAOYSA-N 0 1 436.556 4.421 50 0 IIAAMN CCn1c(C)cc(O)c([C@@H](c2ccc(C)cc2)N2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697235 523139201 /nfs/dbraw/zinc/13/92/01/523139201.db2.gz AFTKRMJXCYOAMI-RUZDIDTESA-N 0 1 435.543 4.241 50 0 IIAAMN COc1ccc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1OC ZINC000021232287 523589288 /nfs/dbraw/zinc/58/92/88/523589288.db2.gz JPKAOHHTARKTBP-UHFFFAOYSA-N 0 1 434.315 4.226 50 0 IIAAMN COCCN(Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21)C(C)C ZINC000020538454 523736815 /nfs/dbraw/zinc/73/68/15/523736815.db2.gz YZCBQQCGPBUAAZ-UHFFFAOYSA-N 0 1 440.975 4.043 50 0 IIAAMN C[C@@H](CCc1ccco1)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000012893188 524543308 /nfs/dbraw/zinc/54/33/08/524543308.db2.gz JSLOZLIEIVYOTJ-INIZCTEOSA-N 0 1 433.460 4.275 50 0 biogenic IIAAMN COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1 ZINC000021931963 524653068 /nfs/dbraw/zinc/65/30/68/524653068.db2.gz XWVISROBNJDHLP-UHFFFAOYSA-N 0 1 425.510 4.069 50 0 IIAAMN COc1ccccc1[C@H](CNC(=O)[C@H](C)Oc1ccc(Br)cc1)N1CCCC1 ZINC000012906015 524789388 /nfs/dbraw/zinc/78/93/88/524789388.db2.gz YKXUMMJOPRMUNO-JXFKEZNVSA-N 0 1 447.373 4.178 50 0 IIAAMN Cc1ccccc1-c1cn[nH]c1[C@H]1CCCN(C(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000012217416 525005582 /nfs/dbraw/zinc/00/55/82/525005582.db2.gz VICSUKBPPORHTR-SFHVURJKSA-N 0 1 426.520 4.257 50 0 IIAAMN Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000013056047 525130889 /nfs/dbraw/zinc/13/08/89/525130889.db2.gz HPRGUMLHCVUNEO-KRWDZBQOSA-N 0 1 435.490 4.309 50 0 IIAAMN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000012592128 525255009 /nfs/dbraw/zinc/25/50/09/525255009.db2.gz XBUKOLYXZGDGQH-UHFFFAOYSA-N 0 1 447.539 4.444 50 0 IIAAMN Cc1cccn2c(CN(C)CC[C@@H]3CCCCO3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012301783 525464098 /nfs/dbraw/zinc/46/40/98/525464098.db2.gz HXCKZJUIVQHBCB-QHCPKHFHSA-N 0 1 448.611 4.348 50 0 IIAAMN COc1ccc2nc(NC(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)sc2c1 ZINC000012851435 525672334 /nfs/dbraw/zinc/67/23/34/525672334.db2.gz TYZJHIUEOJEGDT-UHFFFAOYSA-N 0 1 431.930 4.474 50 0 IIAAMN Cc1ccc(-c2n[nH]c(SCc3cc(=O)n4nc(-c5ccccc5)sc4n3)n2)cc1 ZINC000015731913 525857670 /nfs/dbraw/zinc/85/76/70/525857670.db2.gz RYRVKLMLUOKDTD-UHFFFAOYSA-N 0 1 432.534 4.204 50 0 IIAAMN C[C@H](C(=O)N(C)Cc1ccccc1N1CCCCC1)n1c(=O)c2ccccc2[nH]c1=S ZINC000012762381 525940679 /nfs/dbraw/zinc/94/06/79/525940679.db2.gz VLAVQUOIEQAPTM-QGZVFWFLSA-N 0 1 436.581 4.269 50 0 IIAAMN COc1cccc(OC)c1-c1cnnc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000012195709 526214881 /nfs/dbraw/zinc/21/48/81/526214881.db2.gz LTNMWUWGADBMBT-QGZVFWFLSA-N 0 1 436.903 4.427 50 0 IIAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000012748017 526491745 /nfs/dbraw/zinc/49/17/45/526491745.db2.gz XUKYCRUNNAAXHH-FQEVSTJZSA-N 0 1 446.016 4.207 50 0 IIAAMN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3C)c12 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YLDIAAGWXWOPDI-UHFFFAOYSA-N 0 1 438.505 4.143 50 0 IIAAMN Cn1ncc2c1nc(N1CCN(Cc3ccccc3)CC1)nc2Nc1ccc(Cl)cc1 ZINC000017148921 556670181 /nfs/dbraw/zinc/67/01/81/556670181.db2.gz MNXAYPIGVNNFJB-UHFFFAOYSA-N 0 1 433.947 4.083 50 0 IIAAMN O=C(c1cccc(F)c1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055042550 556732761 /nfs/dbraw/zinc/73/27/61/556732761.db2.gz VMUMYXWLUSORAQ-OAQYLSRUSA-N 0 1 435.465 4.271 50 0 IIAAMN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034171025 556799352 /nfs/dbraw/zinc/79/93/52/556799352.db2.gz CUOSKCZUEOACLV-BWKHYTDRSA-N 0 1 440.550 4.420 50 0 IIAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)nc(N2CCCCC2)n1 ZINC000065363280 556834747 /nfs/dbraw/zinc/83/47/47/556834747.db2.gz FCFFRYWYWQFCIV-UHFFFAOYSA-N 0 1 428.968 4.091 50 0 IIAAMN Cc1cccc(N2CCN(Cc3cccc(OCCCNC(=O)c4ccoc4)c3)CC2)c1C ZINC000067434614 556842736 /nfs/dbraw/zinc/84/27/36/556842736.db2.gz MODOMVCMOQEHHV-UHFFFAOYSA-N 0 1 447.579 4.418 50 0 IIAAMN Cc1ccc2nc(N3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)[nH]c2c1 ZINC000033071947 556852066 /nfs/dbraw/zinc/85/20/66/556852066.db2.gz RHSDGHUPRYECKG-SFHVURJKSA-N 0 1 437.975 4.090 50 0 IIAAMN Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)c1 ZINC000033078816 556853902 /nfs/dbraw/zinc/85/39/02/556853902.db2.gz YWHGWYOTRVXAGL-UHFFFAOYSA-N 0 1 447.510 4.407 50 0 IIAAMN Cc1ccc(CNC(=O)Cn2cc(-c3nnc(CN4CCCCC4)o3)c3ccccc32)cc1 ZINC000033129338 556868332 /nfs/dbraw/zinc/86/83/32/556868332.db2.gz UZKCVLIWRZPPAU-UHFFFAOYSA-N 0 1 443.551 4.302 50 0 IIAAMN CC(=O)c1ccc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019834669 556927606 /nfs/dbraw/zinc/92/76/06/556927606.db2.gz IKBDGEHSUOBJMR-AREMUKBSSA-N 0 1 444.575 4.036 50 0 IIAAMN COc1cccc(-c2cc(C(F)(F)F)nc(N3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000019894410 556940390 /nfs/dbraw/zinc/94/03/90/556940390.db2.gz CAROIFDLLATSIP-UHFFFAOYSA-N 0 1 428.458 4.493 50 0 IIAAMN C[C@@H](Cn1cncn1)NCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000097102660 556988447 /nfs/dbraw/zinc/98/84/47/556988447.db2.gz TYUNGWBWCYXHIN-QHCPKHFHSA-N 0 1 448.574 4.493 50 0 IIAAMN O[C@@H](COc1ccc(Cl)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020421544 557015104 /nfs/dbraw/zinc/01/51/04/557015104.db2.gz VQHAOQQISZFQJS-XMMPIXPASA-N 0 1 436.983 4.487 50 0 IIAAMN Cc1nn(-c2cccc(F)c2)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057710 557029042 /nfs/dbraw/zinc/02/90/42/557029042.db2.gz USJLTJIETPPSJN-MRXNPFEDSA-N 0 1 428.261 4.391 50 0 IIAAMN CC[C@@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000023629535 557101545 /nfs/dbraw/zinc/10/15/45/557101545.db2.gz WRHSXBZNTAHEEK-JOCHJYFZSA-N 0 1 429.524 4.402 50 0 IIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccccc2F)N1Cc1ccc2c(c1)OCO2 ZINC000027663948 557269968 /nfs/dbraw/zinc/26/99/68/557269968.db2.gz DIUKKTKSBHWNIH-DEOSSOPVSA-N 0 1 443.434 4.396 50 0 IIAAMN COc1ccc(OC)c(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)c1 ZINC000014223377 557319534 /nfs/dbraw/zinc/31/95/34/557319534.db2.gz UYGBLVOFTBMRJJ-UHFFFAOYSA-N 0 1 435.933 4.020 50 0 IIAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(OC3CCCC3)cc1)CC(=O)N2 ZINC000072402943 557395665 /nfs/dbraw/zinc/39/56/65/557395665.db2.gz QTVWQBMKKDZLKJ-QGZVFWFLSA-N 0 1 429.484 4.292 50 0 IIAAMN CCc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450423 557733997 /nfs/dbraw/zinc/73/39/97/557733997.db2.gz HWTQZNDOQJETTD-UHFFFAOYSA-N 0 1 449.370 4.111 50 0 IIAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000226828314 557809553 /nfs/dbraw/zinc/80/95/53/557809553.db2.gz BSHNXEWKJQWCMI-RBZQAINGSA-N 0 1 444.487 4.150 50 0 IIAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000226989219 557811505 /nfs/dbraw/zinc/81/15/05/557811505.db2.gz BFNZJMMKTNKZMB-RBZQAINGSA-N 0 1 444.487 4.063 50 0 IIAAMN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2)C[C@@H](O)COCc2ccco2)C1 ZINC000104982523 568622782 /nfs/dbraw/zinc/62/27/82/568622782.db2.gz MRQYSCHCGOUHCA-ISKFKSNPSA-N 0 1 434.536 4.161 50 0 IIAAMN CC(C)COC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984284 568623229 /nfs/dbraw/zinc/62/32/29/568623229.db2.gz VWELLJAHZMKOKP-XZOQPEGZSA-N 0 1 430.976 4.369 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983016 568623854 /nfs/dbraw/zinc/62/38/54/568623854.db2.gz CXXQPONNTZEJHG-FCHUYYIVSA-N 0 1 434.939 4.260 50 0 IIAAMN O[C@@H](COc1ccc2c(c1)CCC2)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000001153403 568663403 /nfs/dbraw/zinc/66/34/03/568663403.db2.gz ZPOCRGWTEAMRMZ-HHHXNRCGSA-N 0 1 442.603 4.322 50 0 IIAAMN Cc1ccccc1NC(=O)CSc1nnc(NC(=O)c2cc(-c3ccco3)on2)s1 ZINC000043939682 568743732 /nfs/dbraw/zinc/74/37/32/568743732.db2.gz AMNLUVCBPHMTGX-UHFFFAOYSA-N 0 1 441.494 4.078 50 0 IIAAMN CC[C@@H](C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)c1ccccc1 ZINC000012780424 568800633 /nfs/dbraw/zinc/80/06/33/568800633.db2.gz BYKVXTVFTKWGQI-GOSISDBHSA-N 0 1 440.521 4.334 50 0 IIAAMN CCCCN(CCNC(=O)c1c(C)oc2ncnc(N3CCCCC3)c21)Cc1ccco1 ZINC000015727596 568812769 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ZINC000106535637 557530154 /nfs/dbraw/zinc/53/01/54/557530154.db2.gz XXAKPPYKBYUAGJ-WBADGQHESA-N 0 1 428.532 4.434 50 0 IIAAMN CC1(C)CC([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC(C)(C)[NH2+]1 ZINC000225541637 557739029 /nfs/dbraw/zinc/73/90/29/557739029.db2.gz OITPPMJYUDOJMX-UHFFFAOYSA-N 0 1 444.222 4.343 50 0 IIAAMN O=C(COc1ccc(Cl)cc1Br)NC[C@H](c1ccco1)N1CCCC1 ZINC000009467335 562971721 /nfs/dbraw/zinc/97/17/21/562971721.db2.gz XEIKLIBXIDFFRZ-OAHLLOKOSA-N 0 1 427.726 4.028 50 0 IIAAMN COc1ccc([C@H]2[C@@H](CN3CCN(c4ccccc4F)CC3)C(=O)N2c2ccccc2)cc1 ZINC000052525191 568658421 /nfs/dbraw/zinc/65/84/21/568658421.db2.gz GZYMWERPYIBWDE-BVAGGSTKSA-N 0 1 445.538 4.361 50 0 IIAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000015730521 568814054 /nfs/dbraw/zinc/81/40/54/568814054.db2.gz DJSKCTOREYDKMA-ZDUSSCGKSA-N 0 1 436.555 4.108 50 0 IIAAMN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000089420112 568924369 /nfs/dbraw/zinc/92/43/69/568924369.db2.gz 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CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862281 568974121 /nfs/dbraw/zinc/97/41/21/568974121.db2.gz HCGOIBIBUOGLKG-UHFFFAOYSA-N 0 1 443.569 4.291 50 0 IIAAMN O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(O)ccc2o1 ZINC000019370089 568989516 /nfs/dbraw/zinc/98/95/16/568989516.db2.gz HJHWCFOZSDIJAM-UHFFFAOYSA-N 0 1 426.516 4.406 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)COc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000169679020 568990196 /nfs/dbraw/zinc/99/01/96/568990196.db2.gz HUUSDDMAXNKQPA-BVAGGSTKSA-N 0 1 446.547 4.130 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC ZINC000036304206 568994501 /nfs/dbraw/zinc/99/45/01/568994501.db2.gz KYEVRLVBVFJQAJ-HXUWFJFHSA-N 0 1 445.510 4.471 50 0 IIAAMN CC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306012 568995326 /nfs/dbraw/zinc/99/53/26/568995326.db2.gz CJLQARGRRACPPH-FQEVSTJZSA-N 0 1 439.556 4.107 50 0 IIAAMN CCc1nc(-c2ccccc2)nc(N2CCN(CC(C)(C)O)CC2)c1Cc1ccccc1F ZINC000036316584 569000153 /nfs/dbraw/zinc/00/01/53/569000153.db2.gz QJQULPSKYQNEIY-UHFFFAOYSA-N 0 1 448.586 4.329 50 0 IIAAMN Clc1cccc(Cl)c1Cc1nnc2sc(-c3[nH]ncc3Br)nn12 ZINC000036353047 569083951 /nfs/dbraw/zinc/08/39/51/569083951.db2.gz VRIQXXNRSPYRLJ-UHFFFAOYSA-N 0 1 430.118 4.236 50 0 IIAAMN O=S(=O)(N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1c(F)cccc1F ZINC000036390903 569097659 /nfs/dbraw/zinc/09/76/59/569097659.db2.gz BGIZILKRIZGZOM-IBGZPJMESA-N 0 1 431.439 4.173 50 0 IIAAMN CCc1noc(-c2cccnc2N2CCCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000065257906 569124274 /nfs/dbraw/zinc/12/42/74/569124274.db2.gz YAUVVWSVYCSQHQ-UHFFFAOYSA-N 0 1 442.361 4.169 50 0 IIAAMN COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037210703 569140825 /nfs/dbraw/zinc/14/08/25/569140825.db2.gz VMSCUJJAWUUCAI-RBUKOAKNSA-N 0 1 440.565 4.127 50 0 IIAAMN COc1ccc([C@H](NCc2ccc(OC)nc2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606806 569144579 /nfs/dbraw/zinc/14/45/79/569144579.db2.gz VBUBCNLMYHSBJS-IRLDBZIGSA-N 0 1 427.545 4.329 50 0 IIAAMN CCN(CC)[C@@H](CNC(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1)c1ccco1 ZINC000089967806 569169291 /nfs/dbraw/zinc/16/92/91/569169291.db2.gz MDRBZFLSTZOLCS-FQEVSTJZSA-N 0 1 426.586 4.193 50 0 IIAAMN COc1cccc([C@H](O)CNC(=O)[C@H]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000252511563 569188700 /nfs/dbraw/zinc/18/87/00/569188700.db2.gz HZAGFLZZQOKFIY-LVCYWYKZSA-N 0 1 427.932 4.349 50 0 IIAAMN CC(=O)[C@@H]1C(=C(O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000252517671 569189320 /nfs/dbraw/zinc/18/93/20/569189320.db2.gz OJNVTMSOKHBJLS-NXNJFABFSA-N 0 1 449.510 4.034 50 0 IIAAMN COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2)c2c(O)cc(C)oc2=O)cc1O ZINC000253471019 569282582 /nfs/dbraw/zinc/28/25/82/569282582.db2.gz KFIMUEIRPDKXRQ-MRXNPFEDSA-N 0 1 429.856 4.182 50 0 IIAAMN COc1ccc([C@H](CC(=O)Nc2cccc(Cl)c2)c2c(O)cc(C)oc2=O)cc1O ZINC000253471015 569282591 /nfs/dbraw/zinc/28/25/91/569282591.db2.gz KFIMUEIRPDKXRQ-INIZCTEOSA-N 0 1 429.856 4.182 50 0 IIAAMN N=C1Nc2nc3ccccc3n2[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000018053575 569284505 /nfs/dbraw/zinc/28/45/05/569284505.db2.gz RSXWDBZGKXFOPT-OAQYLSRUSA-N 0 1 425.521 4.106 50 0 IIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NCc4ccc(F)cc4)ccc3n2)CC1 ZINC000020153536 569353570 /nfs/dbraw/zinc/35/35/70/569353570.db2.gz ZPAYHEGNVSRMEH-UHFFFAOYSA-N 0 1 437.588 4.311 50 0 IIAAMN CC(C)n1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cn1 ZINC000096114184 569382756 /nfs/dbraw/zinc/38/27/56/569382756.db2.gz SCHOYQFWXHFROD-MRXNPFEDSA-N 0 1 432.432 4.090 50 0 biogenic IIAAMN CCCCSc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1)n(C)c(=O)n2C ZINC000028049259 569406739 /nfs/dbraw/zinc/40/67/39/569406739.db2.gz PIWNNRAWNZBMLJ-UHFFFAOYSA-N 0 1 439.990 4.223 50 0 IIAAMN COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CCC3)cc1 ZINC000057311955 569430786 /nfs/dbraw/zinc/43/07/86/569430786.db2.gz ONAOOQXAEILNOS-UHFFFAOYSA-N 0 1 435.549 4.226 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 ZINC000003377908 569448705 /nfs/dbraw/zinc/44/87/05/569448705.db2.gz GMXQJBJKOSJQJU-UHFFFAOYSA-N 0 1 444.534 4.159 50 0 IIAAMN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)cc5)oc-4c32)ccc1O ZINC000217745958 569452574 /nfs/dbraw/zinc/45/25/74/569452574.db2.gz XTVYFCLFUXDYBA-OAHLLOKOSA-N 0 1 446.411 4.026 50 0 biogenic IIAAMN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](NCCc5ccccn5)C4=O)cc3)sc2c1 ZINC000008414636 569464070 /nfs/dbraw/zinc/46/40/70/569464070.db2.gz MEZHZWXIFLHLSN-OAQYLSRUSA-N 0 1 442.544 4.131 50 0 IIAAMN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000008770057 569475096 /nfs/dbraw/zinc/47/50/96/569475096.db2.gz DMOQECWMDNFMAS-KRWDZBQOSA-N 0 1 449.551 4.245 50 0 IIAAMN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000040115219 569489253 /nfs/dbraw/zinc/48/92/53/569489253.db2.gz WBSHFLCTKCYRPC-MRXNPFEDSA-N 0 1 448.850 4.277 50 0 IIAAMN Cc1nc2ccccc2n1CCN1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000040151486 569493295 /nfs/dbraw/zinc/49/32/95/569493295.db2.gz BMMBIHGNFMQEIS-LJQANCHMSA-N 0 1 430.556 4.082 50 0 IIAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2F)c1 ZINC000040267676 569497459 /nfs/dbraw/zinc/49/74/59/569497459.db2.gz DYWHCJPVCPFURQ-HXUWFJFHSA-N 0 1 442.878 4.477 50 0 IIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1CCO ZINC000009124654 569504367 /nfs/dbraw/zinc/50/43/67/569504367.db2.gz XORCUXPFDRQOOR-DEOSSOPVSA-N 0 1 427.460 4.112 50 0 IIAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)NCCSC2CCCC2)CC1 ZINC000069414973 569506165 /nfs/dbraw/zinc/50/61/65/569506165.db2.gz LZRMBRPOARDQTQ-UHFFFAOYSA-N 0 1 430.540 4.255 50 0 IIAAMN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc21 ZINC000040450200 569506308 /nfs/dbraw/zinc/50/63/08/569506308.db2.gz YUMAVENWJBHXMU-UHFFFAOYSA-N 0 1 437.359 4.282 50 0 IIAAMN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1cccc(-c2ccno2)c1 ZINC000009228214 569513616 /nfs/dbraw/zinc/51/36/16/569513616.db2.gz UJGODZMPULXESH-UHFFFAOYSA-N 0 1 425.466 4.423 50 0 IIAAMN CCCSc1ncc(Br)c(C(=O)Nc2nonc2-c2ccc(C)cc2)n1 ZINC000009409800 569531124 /nfs/dbraw/zinc/53/11/24/569531124.db2.gz JOTDCZHUNQHIKF-UHFFFAOYSA-N 0 1 434.319 4.352 50 0 IIAAMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000069951235 569525342 /nfs/dbraw/zinc/52/53/42/569525342.db2.gz RQODADFKLQHMFW-YADHBBJMSA-N 0 1 432.008 4.164 50 0 IIAAMN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000069951233 569525348 /nfs/dbraw/zinc/52/53/48/569525348.db2.gz RQODADFKLQHMFW-VXKWHMMOSA-N 0 1 432.008 4.164 50 0 IIAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000009449791 569536248 /nfs/dbraw/zinc/53/62/48/569536248.db2.gz YWSJNGFHSXJQRG-KRWDZBQOSA-N 0 1 427.595 4.488 50 0 IIAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)c(Cl)c1 ZINC000009507190 569541932 /nfs/dbraw/zinc/54/19/32/569541932.db2.gz GJTIURMSAUVNGK-UHFFFAOYSA-N 0 1 437.230 4.394 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000009670718 569558378 /nfs/dbraw/zinc/55/83/78/569558378.db2.gz BWKYUMYGDGZEAH-IEBWSBKVSA-N 0 1 428.554 4.148 50 0 IIAAMN COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc(N(C)C)cc3)nc21 ZINC000009708971 569561944 /nfs/dbraw/zinc/56/19/44/569561944.db2.gz HIMXJTLSMYRELP-UHFFFAOYSA-N 0 1 432.977 4.233 50 0 IIAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000009778885 569567295 /nfs/dbraw/zinc/56/72/95/569567295.db2.gz PZCMAOBVHVRNON-SFTDATJTSA-N 0 1 432.863 4.101 50 0 IIAAMN Cc1ccc(N2C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c43)C2=O)c2cccnc12 ZINC000002836801 132257359 /nfs/dbraw/zinc/25/73/59/132257359.db2.gz KDJWHOKHPCJMOT-UHFFFAOYSA-N 0 1 436.515 4.249 50 0 IIAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000006144601 132276203 /nfs/dbraw/zinc/27/62/03/132276203.db2.gz JUKIXDGKJBMYJN-UHFFFAOYSA-N 0 1 442.279 4.472 50 0 IIAAMN Fc1ccc(-c2noc3ncnc(NCCCN4CCN(c5ccccc5)CC4)c32)cc1 ZINC000008595303 132284844 /nfs/dbraw/zinc/28/48/44/132284844.db2.gz QBUMKIKRQSNGBV-UHFFFAOYSA-N 0 1 432.503 4.048 50 0 IIAAMN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000010519780 132335975 /nfs/dbraw/zinc/33/59/75/132335975.db2.gz ULCYHBAUDWDOOW-UHFFFAOYSA-N 0 1 444.539 4.276 50 0 IIAAMN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022573417 520681881 /nfs/dbraw/zinc/68/18/81/520681881.db2.gz CUOSKCZUEOACLV-VXPBHUBDSA-N 0 1 440.550 4.420 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3c(C)noc3C)ccc2Cl)cc1 ZINC000012552272 521130107 /nfs/dbraw/zinc/13/01/07/521130107.db2.gz ZNJRHMGMZFRTDO-UHFFFAOYSA-N 0 1 449.916 4.397 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)cc1 ZINC000012630340 521130661 /nfs/dbraw/zinc/13/06/61/521130661.db2.gz SZRQAQGLEIDBFG-UHFFFAOYSA-N 0 1 434.901 4.063 50 0 IIAAMN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000012544641 521778164 /nfs/dbraw/zinc/77/81/64/521778164.db2.gz VYQNRVMDRXCDNT-UHFFFAOYSA-N 0 1 442.722 4.302 50 0 IIAAMN COc1cc(-c2n[nH]cc2CN2CCC([C@H](O)c3cccs3)CC2)cc(OC)c1OC ZINC000012317609 521901664 /nfs/dbraw/zinc/90/16/64/521901664.db2.gz NWIVXUMUJXHFDH-QFIPXVFZSA-N 0 1 443.569 4.110 50 0 IIAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(Cl)ccc2F)c1 ZINC000020720715 522229871 /nfs/dbraw/zinc/22/98/71/522229871.db2.gz BZBVUUAZJSJQHK-IBGZPJMESA-N 0 1 428.851 4.168 50 0 IIAAMN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2ccc(SC)cc2)CC1 ZINC000012587744 523684612 /nfs/dbraw/zinc/68/46/12/523684612.db2.gz JAASJZGNCOJYMD-UHFFFAOYSA-N 0 1 426.582 4.353 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccccc1)=N2 ZINC000035372811 523787746 /nfs/dbraw/zinc/78/77/46/523787746.db2.gz IDIJHSZPHDIJDY-UHFFFAOYSA-N 0 1 426.973 4.335 50 0 IIAAMN CCc1cc2c(cc1S(=O)(=O)Nc1ccc(OC)cc1OC)[nH]c1c2C(=O)CCC1 ZINC000020990405 523844858 /nfs/dbraw/zinc/84/48/58/523844858.db2.gz CTNWVZHHDRNHAM-UHFFFAOYSA-N 0 1 428.510 4.067 50 0 IIAAMN COc1ccc(CN(Cc2cc(=O)n3nc(C(C)(C)C)sc3n2)CC(C)C)cc1OC ZINC000035509816 524013198 /nfs/dbraw/zinc/01/31/98/524013198.db2.gz KAIFHNGFOTZSHC-UHFFFAOYSA-N 0 1 444.601 4.124 50 0 IIAAMN COc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(OC)c1 ZINC000012578908 524025983 /nfs/dbraw/zinc/02/59/83/524025983.db2.gz MBAUGLOLKOHNQA-UHFFFAOYSA-N 0 1 438.503 4.129 50 0 IIAAMN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000012588113 524361550 /nfs/dbraw/zinc/36/15/50/524361550.db2.gz MTYBPTSORRTHHA-UHFFFAOYSA-N 0 1 440.931 4.340 50 0 IIAAMN Cc1cc(C)cc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)c1 ZINC000035372606 524421939 /nfs/dbraw/zinc/42/19/39/524421939.db2.gz BBHSIWDFLSYTAW-UHFFFAOYSA-N 0 1 438.572 4.438 50 0 IIAAMN COc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000012210092 524617876 /nfs/dbraw/zinc/61/78/76/524617876.db2.gz JVYJHTYGNYPTIP-UHFFFAOYSA-N 0 1 437.548 4.150 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)COc2cccc(C)c2)c1 ZINC000035085263 524643703 /nfs/dbraw/zinc/64/37/03/524643703.db2.gz ASUGIKDMEPBNLT-UHFFFAOYSA-N 0 1 440.521 4.130 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@H]2C)c1 ZINC000012561136 524646759 /nfs/dbraw/zinc/64/67/59/524646759.db2.gz QUKJOJWBHLNOJW-OAHLLOKOSA-N 0 1 442.562 4.317 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1 ZINC000012755897 524648251 /nfs/dbraw/zinc/64/82/51/524648251.db2.gz RXTXRQOUDFQLOY-UHFFFAOYSA-N 0 1 437.477 4.198 50 0 IIAAMN C[C@@H](CNC(=O)Cc1cccs1)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000012247919 524660306 /nfs/dbraw/zinc/66/03/06/524660306.db2.gz XVOKTLZAIQJWDT-NRFANRHFSA-N 0 1 449.620 4.197 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCC3CCCC3)ccc2OC)cc1 ZINC000012536046 524688649 /nfs/dbraw/zinc/68/86/49/524688649.db2.gz CKFQKECCMZSGMN-UHFFFAOYSA-N 0 1 432.542 4.414 50 0 IIAAMN Cc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)c(C)c1 ZINC000035372625 525071855 /nfs/dbraw/zinc/07/18/55/525071855.db2.gz ZKQQKQHHPAOUIU-UHFFFAOYSA-N 0 1 438.572 4.438 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000012930896 525185909 /nfs/dbraw/zinc/18/59/09/525185909.db2.gz GWWIBRFSRCTQIQ-HRAATJIYSA-N 0 1 447.373 4.178 50 0 IIAAMN Cc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3[nH]nc4c3CCc3ccccc3-4)s2)cc1 ZINC000021943493 525324326 /nfs/dbraw/zinc/32/43/26/525324326.db2.gz XBBAIJYENLNHBR-UHFFFAOYSA-N 0 1 444.520 4.035 50 0 IIAAMN Cc1[nH]c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nc1Cc1ccccc1 ZINC000012548176 525414040 /nfs/dbraw/zinc/41/40/40/525414040.db2.gz KYPZAPBBEUXRFN-UHFFFAOYSA-N 0 1 448.592 4.278 50 0 IIAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1C ZINC000020989930 525573382 /nfs/dbraw/zinc/57/33/82/525573382.db2.gz VXGJOGLSUKWUIQ-UHFFFAOYSA-N 0 1 431.602 4.384 50 0 IIAAMN Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000020532757 525618048 /nfs/dbraw/zinc/61/80/48/525618048.db2.gz BOQKBUJLLHSJQP-UHFFFAOYSA-N 0 1 435.427 4.462 50 0 IIAAMN COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccccc4Cl)c3)cn2n1 ZINC000012441350 525654273 /nfs/dbraw/zinc/65/42/73/525654273.db2.gz UZNKBOMLTCWUJC-UHFFFAOYSA-N 0 1 428.901 4.168 50 0 IIAAMN Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 ZINC000021801915 525683789 /nfs/dbraw/zinc/68/37/89/525683789.db2.gz RTXCDBFXTIKSFP-UHFFFAOYSA-N 0 1 446.599 4.383 50 0 IIAAMN Cc1ccc(-n2c(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)n[nH]c2=S)cc1 ZINC000020848997 525895391 /nfs/dbraw/zinc/89/53/91/525895391.db2.gz PMJVBOVNPUORDD-UHFFFAOYSA-N 0 1 428.583 4.115 50 0 IIAAMN c1ccc(Cn2c(SC[C@H]3CCCO3)nnc2C2CCN(Cc3cccnc3)CC2)cc1 ZINC000012513725 526479238 /nfs/dbraw/zinc/47/92/38/526479238.db2.gz JZCKYKUPPVMPAK-HSZRJFAPSA-N 0 1 449.624 4.372 50 0 IIAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000021367876 526741520 /nfs/dbraw/zinc/74/15/20/526741520.db2.gz XVKYRVADIWDSPV-UHFFFAOYSA-N 0 1 447.535 4.216 50 0 IIAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020721340 527153022 /nfs/dbraw/zinc/15/30/22/527153022.db2.gz MIYRERQDMIKRJQ-AWEZNQCLSA-N 0 1 435.793 4.139 50 0 IIAAMN Cc1nc2sc([C@H](c3ccc(C)cc3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852761 527206866 /nfs/dbraw/zinc/20/68/66/527206866.db2.gz WPGYBSOVSLMYEU-NRFANRHFSA-N 0 1 433.581 4.020 50 0 IIAAMN O=C(Cc1cccs1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012594244 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COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102735965 557373269 /nfs/dbraw/zinc/37/32/69/557373269.db2.gz YCFGGOFKEXXIIW-RBZQAINGSA-N 0 1 428.488 4.363 50 0 IIAAMN O=C1C2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000102896185 557405326 /nfs/dbraw/zinc/40/53/26/557405326.db2.gz XJTDVSXZTNHNDM-DZGCQCFKSA-N 0 1 429.181 4.305 50 0 IIAAMN COCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(C)cc1 ZINC000004927862 557408971 /nfs/dbraw/zinc/40/89/71/557408971.db2.gz MCHCHMQVNZBWRR-UHFFFAOYSA-N 0 1 425.554 4.306 50 0 IIAAMN Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)cc1 ZINC000044838535 557538798 /nfs/dbraw/zinc/53/87/98/557538798.db2.gz PKPBJQMJTUXINU-UHFFFAOYSA-N 0 1 425.330 4.110 50 0 IIAAMN COc1ccc2nc([C@H](C)NC(=O)c3cccc(CS(=O)(=O)c4ccccc4)c3)[nH]c2c1 ZINC000225391480 557717817 /nfs/dbraw/zinc/71/78/17/557717817.db2.gz RMVNPFVDPRSWSZ-INIZCTEOSA-N 0 1 449.532 4.036 50 0 IIAAMN CN1CCN(Cc2c(Br)cncc2Br)[C@H](c2ccccc2)C1 ZINC000225418044 557720811 /nfs/dbraw/zinc/72/08/11/557720811.db2.gz BJTLYXPAVSPBDR-KRWDZBQOSA-N 0 1 425.168 4.095 50 0 IIAAMN CCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)N=C(C)C2C(=O)OC)cc1 ZINC000008589917 562951412 /nfs/dbraw/zinc/95/14/12/562951412.db2.gz CWYQKPUYQZPQIU-HSZRJFAPSA-N 0 1 446.507 4.129 50 0 IIAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccc(Br)cc3)C[C@H]21 ZINC000009057645 562966772 /nfs/dbraw/zinc/96/67/72/562966772.db2.gz WIPDQHDZVLKHHF-LJQANCHMSA-N 0 1 442.357 4.423 50 0 IIAAMN Cc1ccc2nccc(C(=O)N3CCC[C@H](N4CCN(c5ccc(F)cc5)CC4)C3)c2c1 ZINC000055166457 563142473 /nfs/dbraw/zinc/14/24/73/563142473.db2.gz XEUPRNFDCHGSDX-QFIPXVFZSA-N 0 1 432.543 4.109 50 0 IIAAMN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COC(C)C)C2)cc1 ZINC000104985098 568623367 /nfs/dbraw/zinc/62/33/67/568623367.db2.gz UIFVZWRJBBORRM-JTHBVZDNSA-N 0 1 446.975 4.130 50 0 IIAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(OCc3cccc(C)c3)c2)c1 ZINC000025321350 568653368 /nfs/dbraw/zinc/65/33/68/568653368.db2.gz HIJRVZWLXOPHQN-UHFFFAOYSA-N 0 1 425.506 4.326 50 0 IIAAMN Cc1ccc(O)c(C2C=C(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)N=N2)c1 ZINC000334158146 568750865 /nfs/dbraw/zinc/75/08/65/568750865.db2.gz TUEPIRKMQRHYPO-SDXDJHTJSA-N 0 1 428.495 4.360 50 0 IIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cccnc2)cc1OC ZINC000263585803 568759235 /nfs/dbraw/zinc/75/92/35/568759235.db2.gz MULJLXNLDVSDMO-HNNXBMFYSA-N 0 1 445.427 4.019 50 0 biogenic IIAAMN CCc1cc2c(ncnc2N2CCN(CCCc3nc(-c4cccs4)no3)CC2)s1 ZINC000078254032 568760747 /nfs/dbraw/zinc/76/07/47/568760747.db2.gz LPMALGBKIXQXQN-UHFFFAOYSA-N 0 1 440.598 4.120 50 0 IIAAMN Cc1noc(C)c1CN1CCC([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000084023363 568789841 /nfs/dbraw/zinc/78/98/41/568789841.db2.gz MBJWVYOBGUDTNT-QHCPKHFHSA-N 0 1 431.602 4.137 50 0 IIAAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000006144303 568846086 /nfs/dbraw/zinc/84/60/86/568846086.db2.gz AVMGLHIAHUGDSM-HNNXBMFYSA-N 0 1 427.453 4.055 50 0 IIAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)c4ccccn4)cc3C)s2)cc1 ZINC000015862029 568848453 /nfs/dbraw/zinc/84/84/53/568848453.db2.gz WHOZCWKJIKTJGF-UHFFFAOYSA-N 0 1 438.534 4.361 50 0 IIAAMN O=C(NCc1cccnc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000006189101 568872533 /nfs/dbraw/zinc/87/25/33/568872533.db2.gz HYGQWWOMOIHYPP-UHFFFAOYSA-N 0 1 436.320 4.119 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1 ZINC000026954698 568927766 /nfs/dbraw/zinc/92/77/66/568927766.db2.gz INBHAVISOSJZRD-SAPNQHFASA-N 0 1 428.554 4.300 50 0 IIAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095992 568951631 /nfs/dbraw/zinc/95/16/31/568951631.db2.gz RATOQEKEFVVXLQ-XMMPIXPASA-N 0 1 439.527 4.423 50 0 IIAAMN CC(C)(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146110 568962041 /nfs/dbraw/zinc/96/20/41/568962041.db2.gz YPXJQBYYVQCWND-VXKWHMMOSA-N 0 1 432.511 4.136 50 0 IIAAMN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COC(C)C)C2)cc1 ZINC000036146052 568962250 /nfs/dbraw/zinc/96/22/50/568962250.db2.gz QVHFCVVXVMGGMB-GOTSBHOMSA-N 0 1 430.976 4.430 50 0 IIAAMN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@@H](O)COCc3ccccc3)n2)cc1 ZINC000036147347 568962337 /nfs/dbraw/zinc/96/23/37/568962337.db2.gz ZSKQJIBOANPEKT-HSZRJFAPSA-N 0 1 447.535 4.260 50 0 IIAAMN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169677120 568989430 /nfs/dbraw/zinc/98/94/30/568989430.db2.gz NOLLZUXNQXRROR-RSXGOPAZSA-N 0 1 429.539 4.005 50 0 IIAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2cccc(F)c2)C[C@@H](O)COCC(C)C)C1 ZINC000169677851 568989683 /nfs/dbraw/zinc/98/96/83/568989683.db2.gz YGLISNIMUCHBAN-PKTZIBPZSA-N 0 1 428.548 4.163 50 0 IIAAMN COc1ccc(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000169679549 568991049 /nfs/dbraw/zinc/99/10/49/568991049.db2.gz SGFUTCSASPHGSN-UZUQRXQVSA-N 0 1 439.531 4.395 50 0 IIAAMN CCCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2c(F)cccc2Cl)CC1 ZINC000036340859 569078678 /nfs/dbraw/zinc/07/86/78/569078678.db2.gz ZOGGSBGSYAZZNV-GOSISDBHSA-N 0 1 449.014 4.404 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036343859 569079935 /nfs/dbraw/zinc/07/99/35/569079935.db2.gz YMMGSBMKFRHYOC-XMMPIXPASA-N 0 1 439.003 4.272 50 0 IIAAMN CCOC(=O)[C@H]1CCC[N@H+]([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000036370437 569088479 /nfs/dbraw/zinc/08/84/79/569088479.db2.gz UKTKRCWHPLYNAO-WMLDXEAASA-N 0 1 448.976 4.077 50 0 IIAAMN O=C(c1cc2c(s1)CCN(C(=O)c1ccccc1)C2)N1CCN(C2CCCCC2)CC1 ZINC000065201223 569116164 /nfs/dbraw/zinc/11/61/64/569116164.db2.gz RMWPIJKKFZPUDY-UHFFFAOYSA-N 0 1 437.609 4.037 50 0 IIAAMN CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 ZINC000013135162 569125649 /nfs/dbraw/zinc/12/56/49/569125649.db2.gz PUGLASRGMDPIFK-UHFFFAOYSA-N 0 1 432.723 4.469 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000013850390 569157236 /nfs/dbraw/zinc/15/72/36/569157236.db2.gz USHNIADGQOYEJF-UHFFFAOYSA-N 0 1 444.578 4.033 50 0 IIAAMN O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000089768287 569162481 /nfs/dbraw/zinc/16/24/81/569162481.db2.gz IVAQXVACXWHDDL-UHFFFAOYSA-N 0 1 445.100 4.243 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000017026574 569171135 /nfs/dbraw/zinc/17/11/35/569171135.db2.gz KSVDFGCMVISQDC-UHFFFAOYSA-N 0 1 442.562 4.459 50 0 IIAAMN Cc1cc(NC(=O)C2CCCCC2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000017053472 569172075 /nfs/dbraw/zinc/17/20/75/569172075.db2.gz VKTCJASCEXWBTC-UHFFFAOYSA-N 0 1 445.527 4.151 50 0 IIAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NC1CCCC1 ZINC000002973889 569212952 /nfs/dbraw/zinc/21/29/52/569212952.db2.gz ZXWXMMQIDVYZIU-UHFFFAOYSA-N 0 1 438.391 4.067 50 0 IIAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000013358292 569313714 /nfs/dbraw/zinc/31/37/14/569313714.db2.gz MIHAWSFJSWFFJP-UHFFFAOYSA-N 0 1 437.477 4.222 50 0 IIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NCc4ccc(C)cc4)ccc3n2)CC1 ZINC000020153652 569353541 /nfs/dbraw/zinc/35/35/41/569353541.db2.gz BBVJVJBXBYCNCB-UHFFFAOYSA-N 0 1 433.625 4.480 50 0 IIAAMN CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5ccccc5c4)ccc(c32)C1=O ZINC000094993266 569355902 /nfs/dbraw/zinc/35/59/02/569355902.db2.gz WABXSGNTKPRODH-UHFFFAOYSA-N 0 1 430.485 4.410 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@@H]4CCCC[C@H]4C)c3=O)c2c1 ZINC000020331424 569360932 /nfs/dbraw/zinc/36/09/32/569360932.db2.gz KDTGZBQKCQLEIE-RHSMWYFYSA-N 0 1 442.585 4.414 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(F)cc1)=N2 ZINC000020436185 569365447 /nfs/dbraw/zinc/36/54/47/569365447.db2.gz GQGHUCZUHZPDSJ-UHFFFAOYSA-N 0 1 444.963 4.474 50 0 IIAAMN CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)Nc3ccc(Br)c(C)c3)c2C)o1 ZINC000096379438 569398236 /nfs/dbraw/zinc/39/82/36/569398236.db2.gz ZMRZZWDSKXUMJQ-UHFFFAOYSA-N 0 1 439.335 4.116 50 0 IIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000002632496 569412570 /nfs/dbraw/zinc/41/25/70/569412570.db2.gz IVICKCCHKTZOQK-UHFFFAOYSA-N 0 1 442.924 4.352 50 0 IIAAMN Cc1cccc(OCC(=O)Nc2ccccc2S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000002960054 569432464 /nfs/dbraw/zinc/43/24/64/569432464.db2.gz YCGDGSODZDRWGV-UHFFFAOYSA-N 0 1 430.913 4.467 50 0 IIAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(O)cc2)CC(=O)O4)cc1O ZINC000217671704 569451243 /nfs/dbraw/zinc/45/12/43/569451243.db2.gz DZZMCXMLGHKYLT-OAHLLOKOSA-N 0 1 446.411 4.026 50 0 biogenic IIAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc(Cl)c1Cl ZINC000031815070 569457895 /nfs/dbraw/zinc/45/78/95/569457895.db2.gz ZVAOUBBYUXRLEC-ZDUSSCGKSA-N 0 1 436.686 4.427 50 0 IIAAMN O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694586 569470175 /nfs/dbraw/zinc/47/01/75/569470175.db2.gz OSFDMLXZXFHOSK-AVRDEDQJSA-N 0 1 444.318 4.178 50 0 IIAAMN COc1ccc(-c2nc3ccccc3c(=O)n2-c2ncccc2[C@H]2CCCN2C)cc1OC ZINC000008740419 569472906 /nfs/dbraw/zinc/47/29/06/569472906.db2.gz WHPKFXMKIMXLIL-OAQYLSRUSA-N 0 1 442.519 4.232 50 0 biogenic IIAAMN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)c1 ZINC000040267473 569497411 /nfs/dbraw/zinc/49/74/11/569497411.db2.gz XBGAQAVBESATJA-HXUWFJFHSA-N 0 1 440.887 4.038 50 0 IIAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042180 569497696 /nfs/dbraw/zinc/49/76/96/569497696.db2.gz VPBLXOLTDCARML-YLNUKYHNSA-N 0 1 439.943 4.236 50 0 IIAAMN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000040287072 569498198 /nfs/dbraw/zinc/49/81/98/569498198.db2.gz UIDYQQNXVJLKLM-LJQANCHMSA-N 0 1 428.851 4.168 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 ZINC000009130247 569505966 /nfs/dbraw/zinc/50/59/66/569505966.db2.gz RXCVRAXSUOIEKP-UHFFFAOYSA-N 0 1 444.940 4.122 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000009168194 569509098 /nfs/dbraw/zinc/50/90/98/569509098.db2.gz YVOXHGBBSFZFHA-UHFFFAOYSA-N 0 1 446.569 4.212 50 0 IIAAMN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3c(C)cc(C)cc3O)n[nH]1)CCCC2 ZINC000009243480 569514954 /nfs/dbraw/zinc/51/49/54/569514954.db2.gz ILYFPEHEUWGLFJ-UHFFFAOYSA-N 0 1 438.553 4.341 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000009441933 569535457 /nfs/dbraw/zinc/53/54/57/569535457.db2.gz OKZCZLGRXUXWAX-UHFFFAOYSA-N 0 1 446.912 4.167 50 0 IIAAMN O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)c1cc(-c2ccccc2O)n[nH]1 ZINC000009446287 569535859 /nfs/dbraw/zinc/53/58/59/569535859.db2.gz ISZJZYTUKWBVHX-UHFFFAOYSA-N 0 1 448.504 4.108 50 0 IIAAMN Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1 ZINC000009495582 569541108 /nfs/dbraw/zinc/54/11/08/569541108.db2.gz MNUVMCFEVVPHDF-UHFFFAOYSA-N 0 1 439.928 4.110 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000009529537 569544907 /nfs/dbraw/zinc/54/49/07/569544907.db2.gz WMMCMBNOEXMWCR-UHFFFAOYSA-N 0 1 438.553 4.170 50 0 IIAAMN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000009666694 569557800 /nfs/dbraw/zinc/55/78/00/569557800.db2.gz GEMHUCABEUMTAQ-HSZRJFAPSA-N 0 1 432.520 4.233 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000009670719 569558380 /nfs/dbraw/zinc/55/83/80/569558380.db2.gz BWKYUMYGDGZEAH-HKUYNNGSSA-N 0 1 428.554 4.148 50 0 IIAAMN COCCNC(=O)CSc1nc(-c2ccc(SC)cc2)[nH]c1-c1ccc(F)cc1 ZINC000009674148 569559126 /nfs/dbraw/zinc/55/91/26/569559126.db2.gz BTXRJLNFPYECMU-UHFFFAOYSA-N 0 1 431.558 4.459 50 0 IIAAMN Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3F)s2)c1C ZINC000009686706 569560747 /nfs/dbraw/zinc/56/07/47/569560747.db2.gz QOINGHBNSYKIBY-UHFFFAOYSA-N 0 1 430.324 4.457 50 0 IIAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000009711976 569562131 /nfs/dbraw/zinc/56/21/31/569562131.db2.gz LVINOGUKOOMJSR-QFIPXVFZSA-N 0 1 427.508 4.094 50 0 IIAAMN CCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009778206 569567259 /nfs/dbraw/zinc/56/72/59/569567259.db2.gz LWTYDHBKAHHIGJ-FCHUYYIVSA-N 0 1 446.890 4.491 50 0 IIAAMN Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(C)nc(N3CCN(C)CC3)c12 ZINC000002911940 132258589 /nfs/dbraw/zinc/25/85/89/132258589.db2.gz RYCXPPHOIJRKIY-UHFFFAOYSA-N 0 1 433.940 4.105 50 0 IIAAMN O=C(c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCc2ccccc21 ZINC000009151979 132306859 /nfs/dbraw/zinc/30/68/59/132306859.db2.gz RNVWEDBLGNNVHM-UHFFFAOYSA-N 0 1 427.913 4.129 50 0 IIAAMN O=C(CN1CCC[C@H]1c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000010311064 132335503 /nfs/dbraw/zinc/33/55/03/132335503.db2.gz MTDZLNJZSPUQQS-FQEVSTJZSA-N 0 1 433.474 4.318 50 0 IIAAMN CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2CCN(C3CCCCC3)CC2)c1C ZINC000020760920 518251904 /nfs/dbraw/zinc/25/19/04/518251904.db2.gz GUKXKDWMRKPVES-UHFFFAOYSA-N 0 1 425.548 4.282 50 0 IIAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCOC)c1 ZINC000021782989 520471849 /nfs/dbraw/zinc/47/18/49/520471849.db2.gz NQBHBUHYCZUDGP-DEOSSOPVSA-N 0 1 435.524 4.380 50 0 IIAAMN CCN(CC)C(=O)[C@H]1CCCN(Cc2nc(-c3ccc(OC)c(C)c3OC)oc2C)C1 ZINC000012587387 520541217 /nfs/dbraw/zinc/54/12/17/520541217.db2.gz SDSURDCXCJAGMA-SFHVURJKSA-N 0 1 429.561 4.056 50 0 IIAAMN CCOC(=O)C1CCN(Cc2c(C)c(C)sc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000012290585 520577634 /nfs/dbraw/zinc/57/76/34/520577634.db2.gz DWOXAXKDCQJASP-UHFFFAOYSA-N 0 1 430.570 4.401 50 0 IIAAMN CCC(=O)N[C@H](c1nnc2n1CCN(Cc1cccc(Oc3ccccc3)c1)CC2)C(C)C ZINC000012183999 521188105 /nfs/dbraw/zinc/18/81/05/521188105.db2.gz CEIUOCYOFCNLKQ-VWLOTQADSA-N 0 1 447.583 4.352 50 0 IIAAMN CCCCc1nc(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c[nH]1 ZINC000012316757 521294673 /nfs/dbraw/zinc/29/46/73/521294673.db2.gz OJTWEPVTVVWIKP-IBGZPJMESA-N 0 1 442.604 4.078 50 0 IIAAMN CCCCc1nc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c[nH]1 ZINC000012316758 521295413 /nfs/dbraw/zinc/29/54/13/521295413.db2.gz OJTWEPVTVVWIKP-LJQANCHMSA-N 0 1 442.604 4.078 50 0 IIAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)Cc1ccccc1Cl ZINC000012430632 523688685 /nfs/dbraw/zinc/68/86/85/523688685.db2.gz DIVKTXUMFPFQTA-UHFFFAOYSA-N 0 1 432.967 4.409 50 0 IIAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1ccc2ccccc2n1 ZINC000012712177 523688757 /nfs/dbraw/zinc/68/87/57/523688757.db2.gz INRQXRAVXDLDAQ-UHFFFAOYSA-N 0 1 435.543 4.375 50 0 IIAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cc4ccc5cccnc5c4[nH]3)CC2)c1 ZINC000020575527 524125511 /nfs/dbraw/zinc/12/55/11/524125511.db2.gz XIHYUGYGUNNKIO-UHFFFAOYSA-N 0 1 441.579 4.275 50 0 IIAAMN COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)n1 ZINC000012591845 524191154 /nfs/dbraw/zinc/19/11/54/524191154.db2.gz HFBWJKVGAVZHIK-GFCCVEGCSA-N 0 1 431.949 4.319 50 0 IIAAMN COc1ccccc1-c1cc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)n[nH]1 ZINC000042379952 524266370 /nfs/dbraw/zinc/26/63/70/524266370.db2.gz ONJGRLZHTGOUBE-AWEZNQCLSA-N 0 1 435.509 4.217 50 0 IIAAMN COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000012757286 524360816 /nfs/dbraw/zinc/36/08/16/524360816.db2.gz DAVLPBGQXFSRLX-UHFFFAOYSA-N 0 1 432.524 4.184 50 0 IIAAMN Cc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(C)c4)[n-]c(=O)c3C2)cc1 ZINC000020467775 524477076 /nfs/dbraw/zinc/47/70/76/524477076.db2.gz HBLWJLGNPFYPCY-UHFFFAOYSA-N 0 1 448.592 4.397 50 0 IIAAMN Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(C)c4)[n-]c(=O)c3C2)cc1 ZINC000020467775 524477082 /nfs/dbraw/zinc/47/70/82/524477082.db2.gz HBLWJLGNPFYPCY-UHFFFAOYSA-N 0 1 448.592 4.397 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCCC2)cc1 ZINC000012569059 525182214 /nfs/dbraw/zinc/18/22/14/525182214.db2.gz QTOQDOVYMOJRLJ-OAQYLSRUSA-N 0 1 431.374 4.344 50 0 IIAAMN Cc1ccc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(OCCC(C)C)c2)N(CCO)C3=O)c1 ZINC000011914060 525331611 /nfs/dbraw/zinc/33/16/11/525331611.db2.gz SFJZKSNZRKKCNX-XMMPIXPASA-N 0 1 435.524 4.053 50 0 IIAAMN COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)N2CCCC2)cc1 ZINC000012930890 525357476 /nfs/dbraw/zinc/35/74/76/525357476.db2.gz GWWIBRFSRCTQIQ-IERDGZPVSA-N 0 1 447.373 4.178 50 0 IIAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCOC(C)C)cc1 ZINC000021148646 525438834 /nfs/dbraw/zinc/43/88/34/525438834.db2.gz CCJLHXDVVCPKTN-DEOSSOPVSA-N 0 1 435.524 4.460 50 0 IIAAMN Cc1ccc([C@@H](CN2CCOCC2)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000022786852 525760153 /nfs/dbraw/zinc/76/01/53/525760153.db2.gz YZFUPDCJFNBNRO-RUZDIDTESA-N 0 1 445.563 4.389 50 0 IIAAMN COc1cccc(N2C(=O)c3ccccc3/C(=C\NC[C@H](c3ccccc3)N(C)C)C2=O)c1 ZINC000020665315 526142302 /nfs/dbraw/zinc/14/23/02/526142302.db2.gz MKAPJRABARRWGV-IMKZUMICSA-N 0 1 441.531 4.116 50 0 IIAAMN COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CCN(Cc4ccc(F)cc4)C[C@H]23)c1 ZINC000035870688 526200877 /nfs/dbraw/zinc/20/08/77/526200877.db2.gz HKHRVFDJYYDLOV-AZGAKELHSA-N 0 1 445.538 4.336 50 0 IIAAMN O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)Nc2nccc(C(F)(F)F)n2)cc1 ZINC000012507850 526405378 /nfs/dbraw/zinc/40/53/78/526405378.db2.gz WRDNGXCRYBAJHC-UHFFFAOYSA-N 0 1 442.463 4.205 50 0 IIAAMN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1)C1CC1 ZINC000012585229 527234195 /nfs/dbraw/zinc/23/41/95/527234195.db2.gz CHMJZYOYJJGWCR-UHFFFAOYSA-N 0 1 429.723 4.252 50 0 IIAAMN CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)N=C(C)C2C(=O)OC)cc1C ZINC000001154852 555658408 /nfs/dbraw/zinc/65/84/08/555658408.db2.gz AMLQUKUEXAEWBI-QHCPKHFHSA-N 0 1 446.507 4.047 50 0 IIAAMN CCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)CC(C)C ZINC000034814883 555911276 /nfs/dbraw/zinc/91/12/76/555911276.db2.gz HEYVWOYEJFCYLZ-UHFFFAOYSA-N 0 1 425.621 4.107 50 0 IIAAMN COc1ccc(-c2[nH]nc(C3CCOCC3)c2NC(=O)Cc2cccs2)cc1OC ZINC000034793987 555917208 /nfs/dbraw/zinc/91/72/08/555917208.db2.gz HONQLFZRISMPMF-UHFFFAOYSA-N 0 1 427.526 4.231 50 0 IIAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)cc1C ZINC000006023437 556072418 /nfs/dbraw/zinc/07/24/18/556072418.db2.gz CBKVTBJGJKCQQA-UHFFFAOYSA-N 0 1 429.929 4.083 50 0 IIAAMN COCCCN1C(=O)c2n[nH]c(-c3cc(Cl)c(C)cc3O)c2[C@@H]1c1cccc(O)c1 ZINC000009243551 556266981 /nfs/dbraw/zinc/26/69/81/556266981.db2.gz CQNIUSCTDBDAOQ-NRFANRHFSA-N 0 1 427.888 4.031 50 0 IIAAMN CC(=O)Nc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000009328754 556282404 /nfs/dbraw/zinc/28/24/04/556282404.db2.gz WIRPZALTXISGJK-UHFFFAOYSA-N 0 1 436.324 4.468 50 0 IIAAMN COc1ccc(CCC2CCN([C@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000009933901 556317182 /nfs/dbraw/zinc/31/71/82/556317182.db2.gz AFXBKLWMMCKJQP-QHCPKHFHSA-N 0 1 440.971 4.321 50 0 IIAAMN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1I ZINC000032754918 556324454 /nfs/dbraw/zinc/32/44/54/556324454.db2.gz GFKUFNKGKYKNPC-UHFFFAOYSA-N 0 1 425.650 4.193 50 0 IIAAMN O=C(CC[C@@H]1CCCN(Cc2ccc(F)cc2F)C1)N1CCN(Cc2ccccc2)CC1 ZINC000011842892 556366320 /nfs/dbraw/zinc/36/63/20/556366320.db2.gz WOJDXEMQGPMJRD-QFIPXVFZSA-N 0 1 441.566 4.301 50 0 IIAAMN CC(=O)N1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000011844232 556367207 /nfs/dbraw/zinc/36/72/07/556367207.db2.gz PVAYTXAOLYPAPR-UHFFFAOYSA-N 0 1 428.536 4.399 50 0 IIAAMN COc1ccccc1[C@H](C)NCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000014169656 556380866 /nfs/dbraw/zinc/38/08/66/556380866.db2.gz ZWUXYZYQFUKUDD-KRWDZBQOSA-N 0 1 438.549 4.412 50 0 IIAAMN COc1ccc(F)c(CN2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000011998534 556384840 /nfs/dbraw/zinc/38/48/40/556384840.db2.gz LONLIGMKIJHSPP-SFHVURJKSA-N 0 1 444.547 4.160 50 0 IIAAMN COc1ccc(CN(C(=O)CSc2nc(C=Cc3ccc(F)cc3)n[nH]2)C2CC2)cc1 ZINC000014807844 556447635 /nfs/dbraw/zinc/44/76/35/556447635.db2.gz BYZAOLPHVKJMBO-AWNIVKPZSA-N 0 1 438.528 4.406 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)N2CCCCC2)cc1 ZINC000013102366 556460990 /nfs/dbraw/zinc/46/09/90/556460990.db2.gz VCILNCSXWNKIIX-RPBOFIJWSA-N 0 1 438.568 4.210 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OCc3cscn3)cc2)N2CCCC2)cc1 ZINC000013114262 556466511 /nfs/dbraw/zinc/46/65/11/556466511.db2.gz UDCKYTRPVOCKDD-HSZRJFAPSA-N 0 1 437.565 4.298 50 0 IIAAMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCc2ccccc21 ZINC000029486136 556476549 /nfs/dbraw/zinc/47/65/49/556476549.db2.gz KWYUWOWEJRMKGS-QFIPXVFZSA-N 0 1 443.503 4.225 50 0 IIAAMN CN(Cc1ccccc1Br)C(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000029621533 556479014 /nfs/dbraw/zinc/47/90/14/556479014.db2.gz PWZIHZLZXXMXQY-UHFFFAOYSA-N 0 1 437.407 4.441 50 0 IIAAMN CN(Cc1ccccc1Br)C(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000029621533 556479015 /nfs/dbraw/zinc/47/90/15/556479015.db2.gz PWZIHZLZXXMXQY-UHFFFAOYSA-N 0 1 437.407 4.441 50 0 IIAAMN Cc1cccc(CN2CCN(c3cccc4c3C(=O)N([C@H](C)c3nccs3)C4=O)CC2)c1 ZINC000015067902 556493828 /nfs/dbraw/zinc/49/38/28/556493828.db2.gz UIMCTCVJXMENCL-GOSISDBHSA-N 0 1 446.576 4.131 50 0 IIAAMN O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000013165106 556498013 /nfs/dbraw/zinc/49/80/13/556498013.db2.gz LYLODNUPNYXSCH-UHFFFAOYSA-N 0 1 444.510 4.306 50 0 IIAAMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](N4CCN(c5ccccc5C)CC4)C3)[nH]n2)s1 ZINC000032523839 556540452 /nfs/dbraw/zinc/54/04/52/556540452.db2.gz HWLPPWOUELTCOS-HXUWFJFHSA-N 0 1 449.624 4.182 50 0 IIAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000015952677 556569095 /nfs/dbraw/zinc/56/90/95/556569095.db2.gz BLFNRIXYRKQHJE-QHCPKHFHSA-N 0 1 431.448 4.138 50 0 IIAAMN COc1ccc(C2=C3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3N(c3ccccc3)N2)cc1 ZINC000016037121 556577816 /nfs/dbraw/zinc/57/78/16/556577816.db2.gz IPKXEGBMKUGFHF-UNMCSNQZSA-N 0 1 431.879 4.131 50 0 IIAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccco2)c1 ZINC000016687795 556625693 /nfs/dbraw/zinc/62/56/93/556625693.db2.gz WFYIUCPTHWDCES-UHFFFAOYSA-N 0 1 433.508 4.031 50 0 IIAAMN O=C(CCc1nc2ccccc2s1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055119415 556735367 /nfs/dbraw/zinc/73/53/67/556735367.db2.gz YGVKLWKHZQWFHX-NRFANRHFSA-N 0 1 434.609 4.042 50 0 IIAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000097940892 556810605 /nfs/dbraw/zinc/81/06/05/556810605.db2.gz UGXJXORWMSSQSB-UHFFFAOYSA-N 0 1 442.541 4.022 50 0 IIAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C)c2)c(OC)c1 ZINC000003348275 556813623 /nfs/dbraw/zinc/81/36/23/556813623.db2.gz RBPONTHJNIDSDU-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN O=C(NCCCc1ccccc1)[C@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071282 556851400 /nfs/dbraw/zinc/85/14/00/556851400.db2.gz STWNNWLDISTHAS-KRWDZBQOSA-N 0 1 441.373 4.291 50 0 IIAAMN Cc1cccc(CNC(=O)C2CCN(c3nc4ccc(Br)cc4[nH]3)CC2)c1 ZINC000033071237 556851512 /nfs/dbraw/zinc/85/15/12/556851512.db2.gz DEAGGPJDTZPQEX-UHFFFAOYSA-N 0 1 427.346 4.167 50 0 IIAAMN Cc1ccccc1CCNC(=O)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071349 556852023 /nfs/dbraw/zinc/85/20/23/556852023.db2.gz AHYXYOKJIIBBDU-QGZVFWFLSA-N 0 1 441.373 4.209 50 0 IIAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000033173821 556883976 /nfs/dbraw/zinc/88/39/76/556883976.db2.gz PLTLMMPTNGUILX-UHFFFAOYSA-N 0 1 427.473 4.212 50 0 IIAAMN O[C@@H](COc1ccc2ccccc2c1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019875165 556936039 /nfs/dbraw/zinc/93/60/39/556936039.db2.gz YEEHVHSWTMOETI-JOCHJYFZSA-N 0 1 430.470 4.421 50 0 IIAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4)n[nH]3)no2)c(C)c1 ZINC000033270803 557047773 /nfs/dbraw/zinc/04/77/73/557047773.db2.gz UEHOLHZPXTZYBV-UHFFFAOYSA-N 0 1 434.525 4.335 50 0 IIAAMN Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000000634059 557123450 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ZINC000104983501 568623906 /nfs/dbraw/zinc/62/39/06/568623906.db2.gz FNVKEINNWILHID-IZZNHLLZSA-N 0 1 448.538 4.399 50 0 IIAAMN COc1ccc(C(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(OC)cc3)c2C)cc1 ZINC000003620693 568751953 /nfs/dbraw/zinc/75/19/53/568751953.db2.gz YCYNOMQIVPKMMQ-UHFFFAOYSA-N 0 1 441.505 4.111 50 0 IIAAMN Cc1nc2ccc(NC(=O)[C@H](Cc3cn(C)c4ccccc34)NC(=O)OC(C)(C)C)cc2[nH]1 ZINC000263587718 568760785 /nfs/dbraw/zinc/76/07/85/568760785.db2.gz KMNKKNFXPITHIU-NRFANRHFSA-N 0 1 447.539 4.438 50 0 IIAAMN COc1ccc(Br)cc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)Nc2ncnn21 ZINC000001291751 568778578 /nfs/dbraw/zinc/77/85/78/568778578.db2.gz RLJWEFDDTOMQPQ-SFHVURJKSA-N 0 1 447.333 4.214 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C[C@H](C)c2ccncc2)ccc1C ZINC000084190137 568796051 /nfs/dbraw/zinc/79/60/51/568796051.db2.gz AOTMWGAOCVBACV-KRWDZBQOSA-N 0 1 439.537 4.332 50 0 IIAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000015679408 568805127 /nfs/dbraw/zinc/80/51/27/568805127.db2.gz 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CCN(C)[C@H](C(=O)NCc1cccc(-c2nc(-c3ccncc3)no2)c1)c1ccccc1 ZINC000170610179 569145083 /nfs/dbraw/zinc/14/50/83/569145083.db2.gz NYIJNUAIJUBLTQ-QFIPXVFZSA-N 0 1 427.508 4.108 50 0 IIAAMN Cc1ccc2c(CN3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1C ZINC000014328547 569158642 /nfs/dbraw/zinc/15/86/42/569158642.db2.gz RDFCRXYIRGYKPA-UHFFFAOYSA-N 0 1 433.504 4.276 50 0 IIAAMN Cc1ccc(-n2c3nc(SCC(=O)NC4CCCCC4)[nH]c(=O)c3sc2=S)cc1 ZINC000017052323 569172043 /nfs/dbraw/zinc/17/20/43/569172043.db2.gz FUQFPNAFTOJVNY-UHFFFAOYSA-N 0 1 446.623 4.354 50 0 IIAAMN CCCOc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccccn4)CC3)c(C)o2)cc1 ZINC000009229020 569176042 /nfs/dbraw/zinc/17/60/42/569176042.db2.gz DEUYRXIQLHMRMN-UHFFFAOYSA-N 0 1 448.567 4.362 50 0 IIAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018056122 569284508 /nfs/dbraw/zinc/28/45/08/569284508.db2.gz IUBITZYLXRRGMJ-VSKRKVRLSA-N 0 1 434.879 4.400 50 0 IIAAMN CCOC(=O)C1C(CN2CCCc3ccccc32)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214426 569356533 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CCCCOc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 ZINC000008926987 569487291 /nfs/dbraw/zinc/48/72/91/569487291.db2.gz SBXPTLFYCQZXNP-GOSISDBHSA-N 0 1 449.349 4.460 50 0 IIAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)c(Br)cc2C[C@H]1C ZINC000040450582 569506370 /nfs/dbraw/zinc/50/63/70/569506370.db2.gz ARLNIGUKAAXZPB-SNVBAGLBSA-N 0 1 443.750 4.201 50 0 IIAAMN Cc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1C ZINC000040454576 569506505 /nfs/dbraw/zinc/50/65/05/569506505.db2.gz GAHCKQAYQZZLDL-UHFFFAOYSA-N 0 1 449.370 4.166 50 0 IIAAMN C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009220882 569512595 /nfs/dbraw/zinc/51/25/95/569512595.db2.gz QXUBIBRXEZOTOB-GFCCVEGCSA-N 0 1 446.374 4.420 50 0 IIAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000009408923 569530721 /nfs/dbraw/zinc/53/07/21/569530721.db2.gz YVQHLPVPRALHFC-HOYKHHGWSA-N 0 1 433.508 4.295 50 0 IIAAMN CCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009408922 569530739 /nfs/dbraw/zinc/53/07/39/569530739.db2.gz YVQHLPVPRALHFC-UUOWRZLLSA-N 0 1 433.508 4.295 50 0 IIAAMN CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1 ZINC000009409203 569530937 /nfs/dbraw/zinc/53/09/37/569530937.db2.gz HKZPXIZYORYQTG-XMMPIXPASA-N 0 1 435.524 4.279 50 0 IIAAMN CCc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCC(=O)Nc1ccccc1Cl ZINC000009490237 569540122 /nfs/dbraw/zinc/54/01/22/569540122.db2.gz LVHVJFAAPJQKIQ-UHFFFAOYSA-N 0 1 439.928 4.055 50 0 IIAAMN CCc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2cccc(Cl)c2)cc1 ZINC000009490641 569540249 /nfs/dbraw/zinc/54/02/49/569540249.db2.gz XPJSRNFHKDPQGR-UHFFFAOYSA-N 0 1 439.928 4.055 50 0 IIAAMN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCN3CCc4ccccc4C3)c12 ZINC000009610445 569552504 /nfs/dbraw/zinc/55/25/04/569552504.db2.gz REOGZMAXNLUYFA-UHFFFAOYSA-N 0 1 439.563 4.134 50 0 IIAAMN COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cccc(SC)c3)nc21 ZINC000009707984 569561763 /nfs/dbraw/zinc/56/17/63/569561763.db2.gz STVKCSDCJAXNDB-UHFFFAOYSA-N 0 1 431.583 4.244 50 0 IIAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000009711977 569562126 /nfs/dbraw/zinc/56/21/26/569562126.db2.gz LVINOGUKOOMJSR-JOCHJYFZSA-N 0 1 427.508 4.094 50 0 IIAAMN CCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009778195 569567227 /nfs/dbraw/zinc/56/72/27/569567227.db2.gz LWTYDHBKAHHIGJ-VXKWHMMOSA-N 0 1 446.890 4.491 50 0 IIAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009778192 569567239 /nfs/dbraw/zinc/56/72/39/569567239.db2.gz LWTYDHBKAHHIGJ-YADHBBJMSA-N 0 1 446.890 4.491 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CSCc2ccccc2)c1 ZINC000009957345 569574775 /nfs/dbraw/zinc/57/47/75/569574775.db2.gz QZBKNQHFDNEKKD-UHFFFAOYSA-N 0 1 442.562 4.368 50 0 IIAAMN CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)[nH]c2c1 ZINC000010387423 569581835 /nfs/dbraw/zinc/58/18/35/569581835.db2.gz SOWINNFRHVHOQX-UHFFFAOYSA-N 0 1 438.553 4.365 50 0 IIAAMN Cc1cc(CN2CCC(CNS(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)c(C)o1 ZINC000077200883 569586569 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COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000009444251 569535766 /nfs/dbraw/zinc/53/57/66/569535766.db2.gz MVZZONFYCRKPOB-UHFFFAOYSA-N 0 1 430.913 4.331 50 0 IIAAMN CCCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCN(C)CC3)cc2)CC1 ZINC000009637517 569554794 /nfs/dbraw/zinc/55/47/94/569554794.db2.gz YTWSBBQFIOXKMT-UHFFFAOYSA-N 0 1 449.661 4.336 50 0 IIAAMN O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000009739274 569565051 /nfs/dbraw/zinc/56/50/51/569565051.db2.gz UIJUDGCJGQNBBE-UHFFFAOYSA-N 0 1 442.468 4.040 50 0 IIAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000009778852 569567311 /nfs/dbraw/zinc/56/73/11/569567311.db2.gz XOOVAOQPWYJJAA-VXKWHMMOSA-N 0 1 446.890 4.410 50 0 IIAAMN CC(C)(C)c1cc(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)on1 ZINC000009867641 569572255 /nfs/dbraw/zinc/57/22/55/569572255.db2.gz ZAEYJXBDDDZMAO-UHFFFAOYSA-N 0 1 436.335 4.251 50 0 IIAAMN CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000010272191 569580207 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ZINC000036102330 568952672 /nfs/dbraw/zinc/95/26/72/568952672.db2.gz NWAQBNQPCPNEPH-JOCHJYFZSA-N 0 1 435.520 4.174 50 0 IIAAMN CCOC(=O)C1C(CN2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000036163081 568967911 /nfs/dbraw/zinc/96/79/11/568967911.db2.gz CFYSQFVGGMADQS-URXFXBBRSA-N 0 1 433.552 4.046 50 0 IIAAMN CCOC(=O)C1=C(CN2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000036163081 568967913 /nfs/dbraw/zinc/96/79/13/568967913.db2.gz CFYSQFVGGMADQS-URXFXBBRSA-N 0 1 433.552 4.046 50 0 IIAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862310 568974014 /nfs/dbraw/zinc/97/40/14/568974014.db2.gz QREFPOXBSJNJRM-UHFFFAOYSA-N 0 1 443.569 4.209 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000169677683 568989665 /nfs/dbraw/zinc/98/96/65/568989665.db2.gz JXRLMHSLBVGCKH-AHWVRZQESA-N 0 1 448.538 4.433 50 0 IIAAMN Cc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COC(C)C)C2)cc1 ZINC000169680054 568990609 /nfs/dbraw/zinc/99/06/09/568990609.db2.gz QVHFCVVXVMGGMB-PKTZIBPZSA-N 0 1 430.976 4.430 50 0 IIAAMN CC(C)OC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CCCCC1 ZINC000169679146 568990788 /nfs/dbraw/zinc/99/07/88/568990788.db2.gz CTGVYPRVVMKBHQ-SJLPKXTDSA-N 0 1 447.645 4.030 50 0 IIAAMN CCC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309378 568995975 /nfs/dbraw/zinc/99/59/75/568995975.db2.gz MHHOBLVUYIZPRQ-IRLDBZIGSA-N 0 1 444.641 4.353 50 0 IIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C1CC1 ZINC000065021320 569088804 /nfs/dbraw/zinc/08/88/04/569088804.db2.gz JSKKHNDHVJGXTF-UHFFFAOYSA-N 0 1 434.945 4.184 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000065116001 569107039 /nfs/dbraw/zinc/10/70/39/569107039.db2.gz OQIDBZYPCSTTHL-UHFFFAOYSA-N 0 1 429.498 4.035 50 0 IIAAMN C[C@H](NC(=O)Cc1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000016891192 569165747 /nfs/dbraw/zinc/16/57/47/569165747.db2.gz RXNBHGVAWGBWGV-DFBJGRDBSA-N 0 1 437.584 4.498 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000017026570 569171113 /nfs/dbraw/zinc/17/11/13/569171113.db2.gz KLFLHZYMPNYHAR-UHFFFAOYSA-N 0 1 436.533 4.397 50 0 IIAAMN COC(=O)C[C@@H](c1cc2ccccc2[nH]c1=O)c1c(O)ccc(C(=O)c2ccccc2)c1O ZINC000253623811 569284570 /nfs/dbraw/zinc/28/45/70/569284570.db2.gz MXJIXFLHOJNBQI-SFHVURJKSA-N 0 1 443.455 4.278 50 0 biogenic IIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NCc4ccccc4OC)ccc3n2)CC1 ZINC000020153508 569353610 /nfs/dbraw/zinc/35/36/10/569353610.db2.gz XAIRCOIEYNSOEH-UHFFFAOYSA-N 0 1 449.624 4.180 50 0 IIAAMN COc1ccc(OC)c([C@@H](c2c([O-])[nH]c(=S)[nH]c2=O)[N@@H+](Cc2ccccc2)C(C)C)c1 ZINC000020156082 569353731 /nfs/dbraw/zinc/35/37/31/569353731.db2.gz KKHHRKMRHNLQAP-FQEVSTJZSA-N 0 1 441.553 4.155 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N4C[C@@H](C)C[C@H](C)C4)c3=O)c2c1 ZINC000020331618 569360956 /nfs/dbraw/zinc/36/09/56/569360956.db2.gz STWUSXGWZZIMSJ-GJZGRUSLSA-N 0 1 442.585 4.224 50 0 IIAAMN O=C(NCCc1cccs1)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000096457216 569400766 /nfs/dbraw/zinc/40/07/66/569400766.db2.gz UEDKFWSYNSLDHS-ZCYQVOJMSA-N 0 1 449.595 4.109 50 0 IIAAMN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000057536246 569439467 /nfs/dbraw/zinc/43/94/67/569439467.db2.gz ZFEWDPAJNNOVCY-ZEQRLZLVSA-N 0 1 431.580 4.375 50 0 IIAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc(F)c(F)c1F ZINC000003352365 569447445 /nfs/dbraw/zinc/44/74/45/569447445.db2.gz KQQCQQNWJKZJTN-UHFFFAOYSA-N 0 1 443.248 4.382 50 0 IIAAMN CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000003406975 569449940 /nfs/dbraw/zinc/44/99/40/569449940.db2.gz DOPCKNYAUYQTTF-UHFFFAOYSA-N 0 1 433.331 4.364 50 0 IIAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(F)c2)CC(=O)O4)cc1O ZINC000217724664 569452310 /nfs/dbraw/zinc/45/23/10/569452310.db2.gz AQKLQKZAWSXBGH-OAHLLOKOSA-N 0 1 448.402 4.460 50 0 biogenic IIAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 ZINC000008845154 569478721 /nfs/dbraw/zinc/47/87/21/569478721.db2.gz SIRGFRDQMXDWTO-QFIPXVFZSA-N 0 1 441.915 4.070 50 0 IIAAMN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008939558 569488260 /nfs/dbraw/zinc/48/82/60/569488260.db2.gz HWAHFMOOZCAWFA-SJORKVTESA-N 0 1 434.565 4.240 50 0 IIAAMN O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000040117552 569489283 /nfs/dbraw/zinc/48/92/83/569489283.db2.gz FYKDFBREENFCII-UHFFFAOYSA-N 0 1 447.445 4.176 50 0 IIAAMN C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000040155678 569493936 /nfs/dbraw/zinc/49/39/36/569493936.db2.gz SXHGQJVXVSTOGE-OAHLLOKOSA-N 0 1 430.474 4.396 50 0 IIAAMN Cc1ccc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)[nH]c2c1 ZINC000009058187 569499233 /nfs/dbraw/zinc/49/92/33/569499233.db2.gz VQZDWYNTJBMKOB-UHFFFAOYSA-N 0 1 432.431 4.202 50 0 IIAAMN CCC[C@H](O)C[N@@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1 ZINC000245280373 569502031 /nfs/dbraw/zinc/50/20/31/569502031.db2.gz OPZKSNAVAZBEPP-NZQKXSOJSA-N 0 1 444.641 4.434 50 0 IIAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 ZINC000009124676 569504394 /nfs/dbraw/zinc/50/43/94/569504394.db2.gz YNMDLKBKCXDTNA-JOCHJYFZSA-N 0 1 425.916 4.234 50 0 IIAAMN COc1ccc([C@H](CNC(=O)CSc2ncnc3sccc32)N2CCCCC2)cc1 ZINC000009217212 569512275 /nfs/dbraw/zinc/51/22/75/569512275.db2.gz OFYRMWXVHLNDSB-IBGZPJMESA-N 0 1 442.610 4.135 50 0 IIAAMN COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000009590951 569550093 /nfs/dbraw/zinc/55/00/93/569550093.db2.gz XZIYGCJVPKQUNV-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN COc1cccc(-c2noc(CSc3nc(-c4cc(Cl)ccc4OC)n[nH]3)n2)c1 ZINC000009948953 569574195 /nfs/dbraw/zinc/57/41/95/569574195.db2.gz SRIRRNGYWLWUKL-UHFFFAOYSA-N 0 1 429.889 4.485 50 0 IIAAMN Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(O)c12 ZINC000010166791 569578281 /nfs/dbraw/zinc/57/82/81/569578281.db2.gz KBVXPVCSZSSWCK-UHFFFAOYSA-N 0 1 446.360 4.312 50 0 IIAAMN CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 ZINC000008840724 132295737 /nfs/dbraw/zinc/29/57/37/132295737.db2.gz OXYJMINWUAMLJL-UHFFFAOYSA-N 0 1 437.359 4.329 50 0 IIAAMN CN1CCN(c2ccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cc2)CC1 ZINC000009161332 132307402 /nfs/dbraw/zinc/30/74/02/132307402.db2.gz ZISACVKNFVFGAB-UHFFFAOYSA-N 0 1 439.515 4.464 50 0 IIAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000009907990 132331450 /nfs/dbraw/zinc/33/14/50/132331450.db2.gz OPEJQWNZMLUMPL-UHFFFAOYSA-N 0 1 436.339 4.174 50 0 IIAAMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000016128683 519731929 /nfs/dbraw/zinc/73/19/29/519731929.db2.gz SYOBKKPBHKIRMO-UHFFFAOYSA-N 0 1 443.912 4.352 50 0 IIAAMN CCOC(=O)C1=C(CN2CCC(C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991247 520511332 /nfs/dbraw/zinc/51/13/32/520511332.db2.gz QIJAABDENCJIFR-HSZRJFAPSA-N 0 1 427.589 4.445 50 0 IIAAMN CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000012140876 520638586 /nfs/dbraw/zinc/63/85/86/520638586.db2.gz HMYCTLWORQKUED-UHFFFAOYSA-N 0 1 439.537 4.216 50 0 IIAAMN CCOc1ccc(NC(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020766666 521058331 /nfs/dbraw/zinc/05/83/31/521058331.db2.gz HMAXUYYRQUPOJJ-UHFFFAOYSA-N 0 1 427.548 4.411 50 0 IIAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(Cl)ccc1F ZINC000020734813 522277923 /nfs/dbraw/zinc/27/79/23/522277923.db2.gz IKOSVMLVXSGQSS-LJQANCHMSA-N 0 1 428.851 4.168 50 0 IIAAMN COc1cc(CN2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)cc2c1OCO2 ZINC000020775161 522369584 /nfs/dbraw/zinc/36/95/84/522369584.db2.gz BFWQIMLPNIJQSE-UHFFFAOYSA-N 0 1 437.458 4.260 50 0 IIAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1c(OC(=O)C=Cc2ccccc2)ccc2ccccc21 ZINC000012572408 522875125 /nfs/dbraw/zinc/87/51/25/522875125.db2.gz OMGIHEJKPXKYTA-AIIPKAINSA-N 0 1 442.471 4.260 50 0 IIAAMN CN(CCOc1ccccc1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012298180 522915759 /nfs/dbraw/zinc/91/57/59/522915759.db2.gz ASFMDVAADKUQJG-UHFFFAOYSA-N 0 1 445.563 4.276 50 0 IIAAMN CN(Cc1nc2ccc(Cl)cc2[nH]1)Cc1c(C(=O)N2CCCCC2)nc2sccn12 ZINC000012306813 523558556 /nfs/dbraw/zinc/55/85/56/523558556.db2.gz USDXHUZVDUXBOS-UHFFFAOYSA-N 0 1 442.976 4.184 50 0 IIAAMN CN(Cc1nc2ccccc2s1)C(=O)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000022796894 523569314 /nfs/dbraw/zinc/56/93/14/523569314.db2.gz DNLZPZFFDOYOAW-UHFFFAOYSA-N 0 1 444.604 4.226 50 0 IIAAMN CN1CCC(N(Cc2ccco2)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012771967 523768410 /nfs/dbraw/zinc/76/84/10/523768410.db2.gz XHQWMLOTKCWYTN-UHFFFAOYSA-N 0 1 436.883 4.237 50 0 IIAAMN COc1ccc(C)cc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020766646 523823581 /nfs/dbraw/zinc/82/35/81/523823581.db2.gz PDEWLHXOLPCUCE-UHFFFAOYSA-N 0 1 427.548 4.330 50 0 IIAAMN CN(C)CCCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419758 524057508 /nfs/dbraw/zinc/05/75/08/524057508.db2.gz ZJLWOGZEAAHSMA-UHFFFAOYSA-N 0 1 437.924 4.331 50 0 IIAAMN COc1cccc([C@H](CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)N(C)C)c1 ZINC000022683845 524159413 /nfs/dbraw/zinc/15/94/13/524159413.db2.gz NAKODHSKAXSKAP-QFIPXVFZSA-N 0 1 436.556 4.220 50 0 IIAAMN Cc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000021931807 524664919 /nfs/dbraw/zinc/66/49/19/524664919.db2.gz BOHAZJNZLWXZNH-UHFFFAOYSA-N 0 1 446.326 4.206 50 0 IIAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@@H](C)c1ccccc1Br ZINC000012852404 525462924 /nfs/dbraw/zinc/46/29/24/525462924.db2.gz INYKJPAXSAWJTH-ZDUSSCGKSA-N 0 1 446.320 4.186 50 0 IIAAMN Cc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4cccc5ccccc54)CC3)o2)cc1 ZINC000022186798 525843823 /nfs/dbraw/zinc/84/38/23/525843823.db2.gz WLWIWOORVBOOBL-UHFFFAOYSA-N 0 1 440.547 4.475 50 0 IIAAMN C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021822145 526150232 /nfs/dbraw/zinc/15/02/32/526150232.db2.gz LAGBGQMADUJLDT-HXUWFJFHSA-N 0 1 443.547 4.150 50 0 IIAAMN O[C@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000035590807 526284037 /nfs/dbraw/zinc/28/40/37/526284037.db2.gz USGAJJFXPKSHDJ-SANMLTNESA-N 0 1 434.555 4.157 50 0 IIAAMN O[C@H](COc1ccc(Br)cc1Br)CN1CCc2ccccc2C1 ZINC000012420350 526289825 /nfs/dbraw/zinc/28/98/25/526289825.db2.gz UNHBJLAFWAPCIX-INIZCTEOSA-N 0 1 441.163 4.010 50 0 IIAAMN O=C(NCCc1ccccc1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035870011 526425951 /nfs/dbraw/zinc/42/59/51/526425951.db2.gz SMPKGLFKYJDAAJ-XNMGPUDCSA-N 0 1 443.566 4.048 50 0 IIAAMN O=C(NCCc1ccccc1)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035870012 526426039 /nfs/dbraw/zinc/42/60/39/526426039.db2.gz SMPKGLFKYJDAAJ-AHKZPQOWSA-N 0 1 443.566 4.048 50 0 IIAAMN Cc1sc2nc(-c3cccs3)nc(N3CCCN(CC(=O)NC(C)C)CC3)c2c1C ZINC000012907343 526887694 /nfs/dbraw/zinc/88/76/94/526887694.db2.gz QWMJSLRABZBBSP-UHFFFAOYSA-N 0 1 443.642 4.073 50 0 IIAAMN O=C(Cc1cccc(F)c1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012297190 527261369 /nfs/dbraw/zinc/26/13/69/527261369.db2.gz YMCSNAOFVUIEBU-DEOSSOPVSA-N 0 1 442.550 4.427 50 0 IIAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000012471860 527665978 /nfs/dbraw/zinc/66/59/78/527665978.db2.gz WNDWGJZPJBORCN-MRXNPFEDSA-N 0 1 429.977 4.356 50 0 IIAAMN CCOc1ccc(NC(=S)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000004792006 535750155 /nfs/dbraw/zinc/75/01/55/535750155.db2.gz QOQCTKKWGRBIGY-UHFFFAOYSA-N 0 1 426.630 4.201 50 0 IIAAMN COc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c(OC)c1 ZINC000009278565 555507304 /nfs/dbraw/zinc/50/73/04/555507304.db2.gz QADPIGCHPPLMJM-UHFFFAOYSA-N 0 1 441.534 4.485 50 0 IIAAMN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1C(C)C ZINC000000958056 555590593 /nfs/dbraw/zinc/59/05/93/555590593.db2.gz IQDALQFJJRDFEJ-UHFFFAOYSA-N 0 1 439.537 4.332 50 0 IIAAMN O=S(=O)(NCc1cccc(Cl)c1)c1sc(Br)cc1Br ZINC000001039593 555609350 /nfs/dbraw/zinc/60/93/50/555609350.db2.gz DYIXTUWAVRMXJW-UHFFFAOYSA-N 0 1 445.585 4.405 50 0 IIAAMN COc1ccccc1CCNC(=O)c1ccc(CN2CCN(c3ccccc3C)CC2)cc1 ZINC000034684153 555819917 /nfs/dbraw/zinc/81/99/17/555819917.db2.gz HSSBPXULFGKAEH-UHFFFAOYSA-N 0 1 443.591 4.298 50 0 IIAAMN CCN1CCN(c2c(CN(C(=O)CC(C)C)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831313 555912670 /nfs/dbraw/zinc/91/26/70/555912670.db2.gz KLOLFUVIFQPEST-UHFFFAOYSA-N 0 1 443.611 4.245 50 0 IIAAMN CCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(C)C ZINC000034831288 555912676 /nfs/dbraw/zinc/91/26/76/555912676.db2.gz OUACQVMURPCSBG-UHFFFAOYSA-N 0 1 443.611 4.389 50 0 IIAAMN CCCN(Cc1ccoc1)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C)CC1 ZINC000034836347 555914305 /nfs/dbraw/zinc/91/43/05/555914305.db2.gz PAORQCLDCCTBGU-UHFFFAOYSA-N 0 1 439.579 4.331 50 0 IIAAMN CCOC(=O)[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2cc(-c3ccsc3)[nH]n2)C1 ZINC000011664576 556345198 /nfs/dbraw/zinc/34/51/98/556345198.db2.gz LBXLAQJMVDJKCG-HSZRJFAPSA-N 0 1 441.528 4.306 50 0 IIAAMN COCc1ccc(C(=O)N(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)o1 ZINC000011703051 556347277 /nfs/dbraw/zinc/34/72/77/556347277.db2.gz JDDRRLCDJNMLIH-OAQYLSRUSA-N 0 1 444.547 4.099 50 0 IIAAMN Cc1nc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)sc1C ZINC000011754062 556348786 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0 IIAAMN Cc1ccc(-c2n[nH]c(SCc3nc4ccccc4c(=O)n3Cc3ccco3)n2)cc1 ZINC000014170488 556381314 /nfs/dbraw/zinc/38/13/14/556381314.db2.gz BFEZRMHNIFVECV-UHFFFAOYSA-N 0 1 429.505 4.424 50 0 IIAAMN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCC3)no2)cc1 ZINC000032622800 556410273 /nfs/dbraw/zinc/41/02/73/556410273.db2.gz ABZOGTYLFOPOQE-QHCPKHFHSA-N 0 1 435.524 4.316 50 0 IIAAMN CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000028287510 556447889 /nfs/dbraw/zinc/44/78/89/556447889.db2.gz YFWVWAOJGSJQIW-JOCHJYFZSA-N 0 1 429.992 4.237 50 0 IIAAMN CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000013098083 556458836 /nfs/dbraw/zinc/45/88/36/556458836.db2.gz NEIULHQXUBZXGD-UHFFFAOYSA-N 0 1 446.447 4.262 50 0 IIAAMN O=C(CCc1nc(-c2cccs2)no1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000013164638 556496998 /nfs/dbraw/zinc/49/69/98/556496998.db2.gz NCUMEVGWFIZXHL-UHFFFAOYSA-N 0 1 432.549 4.228 50 0 IIAAMN O=C(Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1)[C@H]1CCCO1 ZINC000030531586 556497003 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COc1cc(CN2CCC(NC(=O)Nc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000057530810 556748134 /nfs/dbraw/zinc/74/81/34/556748134.db2.gz GKIDSUDHCSQRBC-UHFFFAOYSA-N 0 1 433.936 4.152 50 0 IIAAMN CN1CCN(c2ccc(NC(=O)NCCSC3CCCC3)c(C(F)(F)F)c2)CC1 ZINC000058067105 556756549 /nfs/dbraw/zinc/75/65/49/556756549.db2.gz MPJUGHBQGZVQQW-UHFFFAOYSA-N 0 1 430.540 4.255 50 0 IIAAMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc2ccc(OC)cc2[nH]1 ZINC000008826104 556849180 /nfs/dbraw/zinc/84/91/80/556849180.db2.gz SHQGSAXWZCOGNZ-UHFFFAOYSA-N 0 1 447.538 4.052 50 0 IIAAMN Cc1ccccc1CNC(=O)[C@@H]1CCCN(c2nc3ccc(Br)cc3[nH]2)C1 ZINC000033071371 556852079 /nfs/dbraw/zinc/85/20/79/556852079.db2.gz BNTLSWVOCNLKJK-MRXNPFEDSA-N 0 1 427.346 4.167 50 0 IIAAMN O[C@H](COc1ccccc1Cl)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020387430 557012368 /nfs/dbraw/zinc/01/23/68/557012368.db2.gz AQSFPWZOGDCWLN-QHCPKHFHSA-N 0 1 436.983 4.487 50 0 IIAAMN Cc1ccc(C2=NC3(CCN(C)CC3)N=C2SCC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000045994792 557014843 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IIAAMN COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2ncn(CCN(C)C)c(=N)c21 ZINC000009348286 562969465 /nfs/dbraw/zinc/96/94/65/562969465.db2.gz CSKLCXHKHIKWDL-QFIPXVFZSA-N 0 1 426.520 4.372 50 0 IIAAMN CC(C)COC[C@H](O)CN(Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982880 568622641 /nfs/dbraw/zinc/62/26/41/568622641.db2.gz JUIFPDABEWZFMR-DHIUTWEWSA-N 0 1 430.976 4.369 50 0 IIAAMN CC(C)COC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984290 568623216 /nfs/dbraw/zinc/62/32/16/568623216.db2.gz VWELLJAHZMKOKP-DHIUTWEWSA-N 0 1 430.976 4.369 50 0 IIAAMN CC(C)(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985170 568623551 /nfs/dbraw/zinc/62/35/51/568623551.db2.gz ZQMAYWBZQOTNKG-FCHUYYIVSA-N 0 1 432.511 4.136 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000085994171 568631287 /nfs/dbraw/zinc/63/12/87/568631287.db2.gz JQUZKCPXNCFLNV-SMIHKQSGSA-N 0 1 444.487 4.063 50 0 IIAAMN CC(=O)c1ccc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000937065 568638810 /nfs/dbraw/zinc/63/88/10/568638810.db2.gz MLMQOEZZUOOYKF-UHFFFAOYSA-N 0 1 441.530 4.048 50 0 IIAAMN CN(C)[C@@H](CNC(=O)c1cc(Br)c(Br)s1)c1ccsc1 ZINC000025329105 568652598 /nfs/dbraw/zinc/65/25/98/568652598.db2.gz MEWWLCNCIVYXPD-JTQLQIEISA-N 0 1 438.210 4.367 50 0 IIAAMN COc1ccc([C@H]2[C@H](CN3CCN(c4ccccc4F)CC3)C(=O)N2c2ccccc2)cc1 ZINC000052525188 568658285 /nfs/dbraw/zinc/65/82/85/568658285.db2.gz GZYMWERPYIBWDE-OZXSUGGESA-N 0 1 445.538 4.361 50 0 IIAAMN Cc1ccc2occ(CN3CCC4(CC[C@@H](CNC(=O)c5ccccc5)O4)CC3)c(=O)c2c1 ZINC000299755508 568755254 /nfs/dbraw/zinc/75/52/54/568755254.db2.gz ASJXHNVCFIKGDN-QFIPXVFZSA-N 0 1 446.547 4.045 50 0 IIAAMN COc1cc2c(cc1OC)C[N@H+](Cc1cc(-c3cccs3)ccc1OCC(=O)[O-])CC2 ZINC000299756128 568755297 /nfs/dbraw/zinc/75/52/97/568755297.db2.gz CLTIBSZQGIPOJV-UHFFFAOYSA-N 0 1 439.533 4.454 50 0 IIAAMN COc1cc2c(cc1OC)C[N@@H+](Cc1cc(-c3cccs3)ccc1OCC(=O)[O-])CC2 ZINC000299756128 568755299 /nfs/dbraw/zinc/75/52/99/568755299.db2.gz CLTIBSZQGIPOJV-UHFFFAOYSA-N 0 1 439.533 4.454 50 0 IIAAMN COc1cccc(Cn2c3cc(F)ccc3cc(CNCc3ccc4c(c3)OCO4)c2=O)c1 ZINC000299762201 568755985 /nfs/dbraw/zinc/75/59/85/568755985.db2.gz SCZGGMWHDIOBCY-UHFFFAOYSA-N 0 1 446.478 4.216 50 0 IIAAMN CCOC(=O)C1=C(CNc2cccc3cccnc32)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001422884 568793392 /nfs/dbraw/zinc/79/33/92/568793392.db2.gz RCYGTQUCXUQNMC-QHCPKHFHSA-N 0 1 430.508 4.135 50 0 IIAAMN C[N@H+]1CCC[C@@H](COC(=O)c2ccc(CNC(N)=O)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000240333493 568911937 /nfs/dbraw/zinc/91/19/37/568911937.db2.gz FDPGNVYSDLXEBN-AZUAARDMSA-N 0 1 449.473 4.114 50 0 IIAAMN CCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000016567369 568922247 /nfs/dbraw/zinc/92/22/47/568922247.db2.gz VVKSXLIBYQUDFY-NDENLUEZSA-N 0 1 436.899 4.195 50 0 IIAAMN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)s1 ZINC000036101331 568952534 /nfs/dbraw/zinc/95/25/34/568952534.db2.gz YCSUUXRECHFICK-NRFANRHFSA-N 0 1 425.550 4.365 50 0 IIAAMN CC(C)OC[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146017 568962113 /nfs/dbraw/zinc/96/21/13/568962113.db2.gz OEUVVJJOOWYKOU-YADHBBJMSA-N 0 1 434.939 4.260 50 0 IIAAMN COc1cccc(CN(C[C@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146433 568962855 /nfs/dbraw/zinc/96/28/55/568962855.db2.gz JXRLMHSLBVGCKH-AOYPEHQESA-N 0 1 448.538 4.433 50 0 IIAAMN CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCN(CC)CC2)cc1 ZINC000036344118 569080013 /nfs/dbraw/zinc/08/00/13/569080013.db2.gz QIXUMGRVWPFIGW-SANMLTNESA-N 0 1 448.611 4.017 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344659 569080213 /nfs/dbraw/zinc/08/02/13/569080213.db2.gz FCMGJRNRFPOAQK-AREMUKBSSA-N 0 1 432.612 4.235 50 0 IIAAMN CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)Nc2ccc(OC)cc2C)c1C ZINC000065194632 569114861 /nfs/dbraw/zinc/11/48/61/569114861.db2.gz SAKDINFAICRHFQ-UHFFFAOYSA-N 0 1 430.530 4.170 50 0 IIAAMN CCc1noc(-c2cccnc2N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000065257909 569124172 /nfs/dbraw/zinc/12/41/72/569124172.db2.gz LEQGBEQVHZBVID-UHFFFAOYSA-N 0 1 431.462 4.425 50 0 IIAAMN COc1c2c(cc3c1[C@H](Cc1ccc(NC(=O)c4ccccc4)cc1)[N@@H+](C)CC3)OCO2 ZINC000524730851 569126215 /nfs/dbraw/zinc/12/62/15/569126215.db2.gz ZLTHZTVAVHVGED-NRFANRHFSA-N 0 1 430.504 4.448 50 0 biogenic IIAAMN Cc1cccc(CCC(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000089669461 569161076 /nfs/dbraw/zinc/16/10/76/569161076.db2.gz UKPDGJRIMFWSHE-UHFFFAOYSA-N 0 1 433.518 4.275 50 0 IIAAMN CCOC(CNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)C1)OCC ZINC000020240820 569357747 /nfs/dbraw/zinc/35/77/47/569357747.db2.gz GGVHMLSOCVFPAO-GOSISDBHSA-N 0 1 449.979 4.031 50 0 IIAAMN COc1ccc(CNC(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)cc1 ZINC000020643766 569374778 /nfs/dbraw/zinc/37/47/78/569374778.db2.gz KQAJQLHBWNMOLJ-UHFFFAOYSA-N 0 1 437.565 4.190 50 0 IIAAMN Cc1c(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)cnn1-c1ccccn1 ZINC000096011859 569379874 /nfs/dbraw/zinc/37/98/74/569379874.db2.gz YQACYOYPRWHKGL-QFIPXVFZSA-N 0 1 439.510 4.199 50 0 IIAAMN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)ccc1O ZINC000096115123 569383144 /nfs/dbraw/zinc/38/31/44/569383144.db2.gz YEGUFAVHZFFLEF-OAHLLOKOSA-N 0 1 446.411 4.026 50 0 biogenic IIAAMN CCOC(=O)N1CCC(N[C@@H]2c3ccccc3C(=O)N2[C@@H]2CCCc3ccccc32)CC1 ZINC000096300815 569392048 /nfs/dbraw/zinc/39/20/48/569392048.db2.gz NZUJISDYZJEZAV-RPWUZVMVSA-N 0 1 433.552 4.429 50 0 IIAAMN O=C(NCCc1cccs1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000096457217 569400776 /nfs/dbraw/zinc/40/07/76/569400776.db2.gz UEDKFWSYNSLDHS-NOZRDPDXSA-N 0 1 449.595 4.109 50 0 IIAAMN COCCn1c(C)cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1C ZINC000002626030 569411763 /nfs/dbraw/zinc/41/17/63/569411763.db2.gz GAXVBERGFYUFNJ-UHFFFAOYSA-N 0 1 449.374 4.274 50 0 IIAAMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000057352388 569431293 /nfs/dbraw/zinc/43/12/93/569431293.db2.gz SSNRPVXEYWQFEG-QGZVFWFLSA-N 0 1 437.490 4.493 50 0 IIAAMN CCN(CCCn1c(=O)c2cc(N3CCOCC3)ccc2[nH]c1=S)c1cccc(C)c1 ZINC000002976064 569433549 /nfs/dbraw/zinc/43/35/49/569433549.db2.gz CUEGPQOLOOOLBP-UHFFFAOYSA-N 0 1 438.597 4.121 50 0 IIAAMN COc1ccccc1-c1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)n[nH]1 ZINC000038518968 569463134 /nfs/dbraw/zinc/46/31/34/569463134.db2.gz BMHIQNCYPNAVGW-UHFFFAOYSA-N 0 1 447.470 4.294 50 0 IIAAMN COc1ccc([C@H](CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)N2CCCCC2)cc1 ZINC000008709657 569470801 /nfs/dbraw/zinc/47/08/01/569470801.db2.gz PSFVOJGTKKJOHC-SANMLTNESA-N 0 1 446.595 4.384 50 0 IIAAMN CCOC(=O)[C@H]1CCCN(Cc2c(C)c(C)sc2NC(=O)c2ccc(OC)cc2)C1 ZINC000008763683 569474499 /nfs/dbraw/zinc/47/44/99/569474499.db2.gz NAQALVNNGWXGJD-SFHVURJKSA-N 0 1 430.570 4.401 50 0 IIAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845570 569478861 /nfs/dbraw/zinc/47/88/61/569478861.db2.gz HYRFREULVYQHQU-QHCPKHFHSA-N 0 1 431.448 4.143 50 0 IIAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845719 569478960 /nfs/dbraw/zinc/47/89/60/569478960.db2.gz ZRCGRFDRAALKIZ-DEOSSOPVSA-N 0 1 426.476 4.240 50 0 IIAAMN CN(C)CCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000039844293 569481894 /nfs/dbraw/zinc/48/18/94/569481894.db2.gz RRBHRXXTIHHDAX-UHFFFAOYSA-N 0 1 437.924 4.331 50 0 IIAAMN O=S(=O)([C@@H]1CCN(Cc2ccccc2)C1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000040155831 569494024 /nfs/dbraw/zinc/49/40/24/569494024.db2.gz MUWKNPVLTNOKJW-HXUWFJFHSA-N 0 1 441.622 4.080 50 0 IIAAMN COC(=O)c1ccc(C)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000040267675 569497462 /nfs/dbraw/zinc/49/74/62/569497462.db2.gz DYWHCJPVCPFURQ-FQEVSTJZSA-N 0 1 442.878 4.477 50 0 IIAAMN COc1cccc([C@H](CNC(=O)c2c(C)onc2-c2c(F)cccc2Cl)N(C)C)c1 ZINC000069232928 569497737 /nfs/dbraw/zinc/49/77/37/569497737.db2.gz OYPBNXOKRKAXTH-SFHVURJKSA-N 0 1 431.895 4.484 50 0 IIAAMN CSc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 ZINC000009124403 569504254 /nfs/dbraw/zinc/50/42/54/569504254.db2.gz FRDSOCWKYHVESQ-OAQYLSRUSA-N 0 1 443.956 4.394 50 0 IIAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)cc1Cl ZINC000009124576 569504383 /nfs/dbraw/zinc/50/43/83/569504383.db2.gz IHAHIXZZETVSLJ-QFIPXVFZSA-N 0 1 425.916 4.405 50 0 IIAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)c(Br)cc2C[C@H]1C ZINC000040454542 569506499 /nfs/dbraw/zinc/50/64/99/569506499.db2.gz IYKHZTVKTMNPJD-CYBMUJFWSA-N 0 1 437.359 4.164 50 0 IIAAMN COc1ccccc1NC(=O)Nc1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000009285122 569519187 /nfs/dbraw/zinc/51/91/87/569519187.db2.gz NCZLVNKSBQXYFS-UHFFFAOYSA-N 0 1 445.472 4.288 50 0 IIAAMN C=C1C(NCCCN(Cc2ccccc2)C(C)C)=NS(=O)(=O)C1c1ccc(OC)cc1 ZINC000009286550 569519231 /nfs/dbraw/zinc/51/92/31/569519231.db2.gz ZNTBIDMKLSKEFT-UHFFFAOYSA-N 0 1 441.597 4.058 50 0 IIAAMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000069951234 569525336 /nfs/dbraw/zinc/52/53/36/569525336.db2.gz RQODADFKLQHMFW-FGZHOGPDSA-N 0 1 432.008 4.164 50 0 IIAAMN CC1=NC(=O)N[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)C1C(=O)OCc1ccccc1 ZINC000009444226 569535733 /nfs/dbraw/zinc/53/57/33/569535733.db2.gz BPDBCULMCXDFKM-QHCPKHFHSA-N 0 1 442.471 4.277 50 0 IIAAMN CCN(CC)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccccc1Cl ZINC000009536177 569545567 /nfs/dbraw/zinc/54/55/67/569545567.db2.gz XKKKPDRIWWKYJO-IFXJQAMLSA-N 0 1 430.936 4.264 50 0 IIAAMN COCCNC(=O)CSc1[nH]c(-c2ccc(OC)cc2)nc1-c1ccc(Cl)cc1 ZINC000009674150 569559064 /nfs/dbraw/zinc/55/90/64/569559064.db2.gz XPZSJMYISFXACK-UHFFFAOYSA-N 0 1 431.945 4.260 50 0 IIAAMN COCCCNC(=O)CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000009674175 569559177 /nfs/dbraw/zinc/55/91/77/569559177.db2.gz RNRVQCLYJXXDCU-UHFFFAOYSA-N 0 1 429.517 4.136 50 0 IIAAMN CC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)nc1C ZINC000009714709 569562819 /nfs/dbraw/zinc/56/28/19/569562819.db2.gz ICDSWEFUNNCWGL-UHFFFAOYSA-N 0 1 449.941 4.361 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2C)N2CCCC2)cc1 ZINC000009762407 569566419 /nfs/dbraw/zinc/56/64/19/569566419.db2.gz YYFWMASRNLHLIO-XMMPIXPASA-N 0 1 432.568 4.124 50 0 IIAAMN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN(C)[C@H]1CCCc2ccccc21 ZINC000009812389 569569118 /nfs/dbraw/zinc/56/91/18/569569118.db2.gz COWYEQSELHOPFX-IBGZPJMESA-N 0 1 434.367 4.400 50 0 IIAAMN COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000009969176 569576042 /nfs/dbraw/zinc/57/60/42/569576042.db2.gz XKKCLQKMKBESHA-LJQANCHMSA-N 0 1 441.528 4.279 50 0 IIAAMN CCOc1ccccc1N1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000009836734 132329869 /nfs/dbraw/zinc/32/98/69/132329869.db2.gz HNMVIFBJTBKLPS-UHFFFAOYSA-N 0 1 442.003 4.300 50 0 IIAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000013119570 132345231 /nfs/dbraw/zinc/34/52/31/132345231.db2.gz JJKRCDDPZWBNAN-UHFFFAOYSA-N 0 1 443.956 4.345 50 0 IIAAMN CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCCN(Cc3ccccn3)CC2)n1 ZINC000035925698 519459221 /nfs/dbraw/zinc/45/92/21/519459221.db2.gz GNCGXRMPEBYSCR-UHFFFAOYSA-N 0 1 441.583 4.121 50 0 IIAAMN CC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000020677595 519920973 /nfs/dbraw/zinc/92/09/73/519920973.db2.gz MTCSQLLVCWWYGA-UHFFFAOYSA-N 0 1 425.964 4.270 50 0 IIAAMN CCOC(=O)C1CCN([C@H](c2c(C)[nH]c3ccc(NC(C)=O)cc32)c2ccccn2)CC1 ZINC000021805624 520581611 /nfs/dbraw/zinc/58/16/11/520581611.db2.gz KIHJAPJLZRPECC-DEOSSOPVSA-N 0 1 434.540 4.194 50 0 IIAAMN CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000022697299 521230818 /nfs/dbraw/zinc/23/08/18/521230818.db2.gz ZHOBYXLDALRDKT-SANMLTNESA-N 0 1 447.579 4.193 50 0 IIAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCc1ccccc1C ZINC000012716896 523687449 /nfs/dbraw/zinc/68/74/49/523687449.db2.gz SZJUIQMDAGIMBB-UHFFFAOYSA-N 0 1 426.576 4.454 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(Cl)cc1)=N2 ZINC000035372480 523787162 /nfs/dbraw/zinc/78/71/62/523787162.db2.gz IEUMCFHADHENMZ-UHFFFAOYSA-N 0 1 426.973 4.335 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(Cl)cc1)=N2 ZINC000035372692 523787656 /nfs/dbraw/zinc/78/76/56/523787656.db2.gz DDDBCAYKWQUAAB-UHFFFAOYSA-N 0 1 444.963 4.474 50 0 IIAAMN CCc1cc2c(cc1S(=O)(=O)Nc1cc(OC)ccc1OC)[nH]c1c2C(=O)CCC1 ZINC000020990498 523845213 /nfs/dbraw/zinc/84/52/13/523845213.db2.gz JECJHBDSNBRDDE-UHFFFAOYSA-N 0 1 428.510 4.067 50 0 IIAAMN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)c(OC)c1 ZINC000012716294 524048056 /nfs/dbraw/zinc/04/80/56/524048056.db2.gz VVQHLAYSHQSJDG-FQEVSTJZSA-N 0 1 438.568 4.215 50 0 IIAAMN COc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1OC ZINC000022135480 524633439 /nfs/dbraw/zinc/63/34/39/524633439.db2.gz RKFJGAQBPROTQP-UHFFFAOYSA-N 0 1 445.563 4.274 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2C)ccc1N1CCCCC1 ZINC000012536047 524642325 /nfs/dbraw/zinc/64/23/25/524642325.db2.gz YZJUKWVZMNPALU-FUHWJXTLSA-N 0 1 443.569 4.081 50 0 IIAAMN Cc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000021931792 525254282 /nfs/dbraw/zinc/25/42/82/525254282.db2.gz VYXUSFBJDJLBHG-UHFFFAOYSA-N 0 1 446.326 4.206 50 0 IIAAMN C[C@H](NC(=S)Nc1ccc(Br)cc1)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000022031384 525277016 /nfs/dbraw/zinc/27/70/16/525277016.db2.gz BBNVNNBGIQAVNB-OXJNMPFZSA-N 0 1 447.446 4.113 50 0 IIAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)n1C ZINC000021030389 525569177 /nfs/dbraw/zinc/56/91/77/525569177.db2.gz PCCSUVORBPVRJB-UHFFFAOYSA-N 0 1 431.602 4.240 50 0 IIAAMN COc1ccc2c(c1OC)C(=O)O[C@@H]2N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020718593 525613773 /nfs/dbraw/zinc/61/37/73/525613773.db2.gz LTPODTGEPHHWDI-SANMLTNESA-N 0 1 444.531 4.280 50 0 IIAAMN COc1ccc2nc(SCC(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)[nH]c2c1 ZINC000012734962 525679807 /nfs/dbraw/zinc/67/98/07/525679807.db2.gz ROLUQKXAIVXWHM-IBGZPJMESA-N 0 1 427.526 4.045 50 0 IIAAMN O=C(CN[C@@H](c1cccs1)c1ccc2c(c1)CCC2)Nc1ccc(N2CCOCC2)cc1 ZINC000012521617 526888013 /nfs/dbraw/zinc/88/80/13/526888013.db2.gz AQECCJNPVPMJJV-AREMUKBSSA-N 0 1 447.604 4.391 50 0 IIAAMN Cn1c2ccc(S(=O)(=O)Nc3ccccc3SCc3ccccc3)cc2oc1=O ZINC000012521381 527105225 /nfs/dbraw/zinc/10/52/25/527105225.db2.gz RJTMIYHBFRUACQ-UHFFFAOYSA-N 0 1 426.519 4.225 50 0 IIAAMN Cn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000021357178 527115375 /nfs/dbraw/zinc/11/53/75/527115375.db2.gz XDBLPIPGCKTGEF-UHFFFAOYSA-N 0 1 427.476 4.438 50 0 IIAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(Br)cc1 ZINC000012561026 527245365 /nfs/dbraw/zinc/24/53/65/527245365.db2.gz KPKANMBJNRUDIU-UHFFFAOYSA-N 0 1 446.248 4.454 50 0 IIAAMN Cn1cnnc1Sc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000012703762 527530585 /nfs/dbraw/zinc/53/05/85/527530585.db2.gz LUWDPLGOWNYYPW-NRFANRHFSA-N 0 1 432.977 4.030 50 0 IIAAMN O=C(/C=C/c1ccncc1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012308958 527643048 /nfs/dbraw/zinc/64/30/48/527643048.db2.gz SIJBZAJQKQYWMC-PRSVDJLGSA-N 0 1 437.559 4.154 50 0 IIAAMN O=S(=O)(Nc1ccc(I)cn1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001426207 555695921 /nfs/dbraw/zinc/69/59/21/555695921.db2.gz XDYNVAVWSRULSN-UHFFFAOYSA-N 0 1 448.285 4.058 50 0 IIAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000003105048 555887681 /nfs/dbraw/zinc/88/76/81/555887681.db2.gz HXSXUJSROFOSDB-UHFFFAOYSA-N 0 1 445.322 4.398 50 0 IIAAMN O=C(CCC1CCCC1)N1CCc2n[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)c2C1 ZINC000034809811 555908241 /nfs/dbraw/zinc/90/82/41/555908241.db2.gz VRQJMMIPABDEBB-UHFFFAOYSA-N 0 1 448.611 4.360 50 0 IIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000004006236 555952461 /nfs/dbraw/zinc/95/24/61/555952461.db2.gz LYWNFHJMMWOUOL-UHFFFAOYSA-N 0 1 440.569 4.049 50 0 IIAAMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)NCCc1c[nH]c2ccccc12 ZINC000002970198 556151902 /nfs/dbraw/zinc/15/19/02/556151902.db2.gz LLFIHSWZMQQIOW-UHFFFAOYSA-N 0 1 434.565 4.460 50 0 biogenic IIAAMN Cc1ccc(SCCNC(=O)CSc2nnc(Cc3ccc(Cl)cc3)[nH]2)cc1 ZINC000032739561 556300121 /nfs/dbraw/zinc/30/01/21/556300121.db2.gz SLMXBOHBVXDNQS-UHFFFAOYSA-N 0 1 433.002 4.358 50 0 IIAAMN CCOc1ccccc1CN1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000011937442 556379153 /nfs/dbraw/zinc/37/91/53/556379153.db2.gz UOSBKQGYONISLU-UHFFFAOYSA-N 0 1 445.563 4.454 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N(C)C)cc1OC ZINC000032622181 556409708 /nfs/dbraw/zinc/40/97/08/556409708.db2.gz ZSLXAKJAAPPSFQ-SFHVURJKSA-N 0 1 429.904 4.045 50 0 IIAAMN COc1ccc(CNC(=O)CSc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC ZINC000032691676 556441678 /nfs/dbraw/zinc/44/16/78/556441678.db2.gz XIYFVHRGQWOHQX-UHFFFAOYSA-N 0 1 426.325 4.295 50 0 IIAAMN CCN1CCN(c2ccccc2NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 ZINC000032865603 556451054 /nfs/dbraw/zinc/45/10/54/556451054.db2.gz YWRAXLIYRDNGHA-UHFFFAOYSA-N 0 1 428.602 4.435 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)N2CCCCC2)cc1 ZINC000013102360 556461135 /nfs/dbraw/zinc/46/11/35/556461135.db2.gz VCILNCSXWNKIIX-LOSJGSFVSA-N 0 1 438.568 4.210 50 0 IIAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)c1 ZINC000028813784 556461763 /nfs/dbraw/zinc/46/17/63/556461763.db2.gz RAZLWEZOJMVHEU-UHFFFAOYSA-N 0 1 448.591 4.392 50 0 IIAAMN CCOCc1cc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000014973744 556467815 /nfs/dbraw/zinc/46/78/15/556467815.db2.gz PUQOKVBXGZGCGM-HXUWFJFHSA-N 0 1 427.541 4.344 50 0 IIAAMN O=S(=O)(NC[C@H]1CCCN(Cc2cc3ccccc3o2)C1)c1cccc2cccnc21 ZINC000015062842 556490921 /nfs/dbraw/zinc/49/09/21/556490921.db2.gz DFEUCVZIMKQFMM-GOSISDBHSA-N 0 1 435.549 4.172 50 0 IIAAMN Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000013625634 556537066 /nfs/dbraw/zinc/53/70/66/556537066.db2.gz PHNJHKAWFJAJGJ-UHFFFAOYSA-N 0 1 448.563 4.158 50 0 IIAAMN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000072306677 556559423 /nfs/dbraw/zinc/55/94/23/556559423.db2.gz SBTTXKHOTYLYND-UHFFFAOYSA-N 0 1 429.858 4.020 50 0 IIAAMN Oc1c(-c2[nH]nc(C(F)(F)F)c2-c2cnn(-c3ccccc3)c2)ccc2c1OCCO2 ZINC000016115358 556575489 /nfs/dbraw/zinc/57/54/89/556575489.db2.gz SVEDSZBMRGVQKO-UHFFFAOYSA-N 0 1 428.370 4.425 50 0 IIAAMN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000016096399 556582454 /nfs/dbraw/zinc/58/24/54/556582454.db2.gz KISKENJIWONDIH-UHFFFAOYSA-N 0 1 444.896 4.164 50 0 IIAAMN CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)CC1 ZINC000016400829 556605823 /nfs/dbraw/zinc/60/58/23/556605823.db2.gz FQWQILIOUIOGSB-UHFFFAOYSA-N 0 1 439.515 4.464 50 0 IIAAMN CCOc1ccccc1CN1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011910322 556669993 /nfs/dbraw/zinc/66/99/93/556669993.db2.gz JAKSYSAYUARDAT-FQEVSTJZSA-N 0 1 426.630 4.443 50 0 IIAAMN COc1ccc(OCCN2CCN(c3ncnc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000058164017 556766319 /nfs/dbraw/zinc/76/63/19/556766319.db2.gz TVSXZNKOTMRRBU-UHFFFAOYSA-N 0 1 438.597 4.170 50 0 IIAAMN O=S(=O)([N-]c1ccc(N2CC[NH+](C3CC3)CC2)cc1)c1cccc(Cl)c1Cl ZINC000058355124 556782467 /nfs/dbraw/zinc/78/24/67/556782467.db2.gz VRVCDNMANGHGJM-UHFFFAOYSA-N 0 1 426.369 4.079 50 0 IIAAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(O)ccc2cc(Br)ccc21 ZINC000034222038 556806097 /nfs/dbraw/zinc/80/60/97/556806097.db2.gz ACAKTFTWQUHEJK-YVLHZVERSA-N 0 1 443.684 4.423 50 0 IIAAMN CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4cnc[nH]4)cc3n2)cc1 ZINC000019635657 556835120 /nfs/dbraw/zinc/83/51/20/556835120.db2.gz RJDKBYZLVFOVSE-UHFFFAOYSA-N 0 1 442.445 4.234 50 0 IIAAMN O=C(NCc1nc(-c2ccccc2Cl)no1)C1CCN(Cc2ccccc2F)CC1 ZINC000067604612 556843592 /nfs/dbraw/zinc/84/35/92/556843592.db2.gz ZASSDPHHCVVYHB-UHFFFAOYSA-N 0 1 428.895 4.058 50 0 IIAAMN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccc(Br)cc4[nH]3)C2)cc1 ZINC000033071278 556851406 /nfs/dbraw/zinc/85/14/06/556851406.db2.gz MBAXTMRTIQAUEO-INIZCTEOSA-N 0 1 427.346 4.167 50 0 IIAAMN O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000033078817 556853912 /nfs/dbraw/zinc/85/39/12/556853912.db2.gz UCWRLRORLLSGKD-UHFFFAOYSA-N 0 1 439.512 4.160 50 0 IIAAMN COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000033170637 556886119 /nfs/dbraw/zinc/88/61/19/556886119.db2.gz IBAFHVLRTSXRHS-NTMALXAHSA-N 0 1 445.472 4.060 50 0 IIAAMN Cc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2cccc(C)c2n1 ZINC000033252842 556893352 /nfs/dbraw/zinc/89/33/52/556893352.db2.gz XJZCOJFJUBKBGP-UHFFFAOYSA-N 0 1 436.987 4.447 50 0 IIAAMN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000019902114 556942304 /nfs/dbraw/zinc/94/23/04/556942304.db2.gz RQKSGOZICFJJBC-NRFANRHFSA-N 0 1 425.960 4.422 50 0 IIAAMN Cc1nn(-c2ccc(Br)cc2)c2c1C(=C(O)c1ccc(F)cc1)CC(=O)N2 ZINC000046057028 557028778 /nfs/dbraw/zinc/02/87/78/557028778.db2.gz NIRSRZSPFNIPPB-INIZCTEOSA-N 0 1 428.261 4.391 50 0 IIAAMN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc(-c4ccccc4)n[nH]3)no2)c1 ZINC000033270776 557047688 /nfs/dbraw/zinc/04/76/88/557047688.db2.gz COCKVCBTAPAQLN-UHFFFAOYSA-N 0 1 434.525 4.335 50 0 IIAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4ccc(F)cc4F)n3)[nH]c2c1 ZINC000033270878 557048172 /nfs/dbraw/zinc/04/81/72/557048172.db2.gz PDBDUHZWVWBSRT-UHFFFAOYSA-N 0 1 429.452 4.396 50 0 IIAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4cc(F)cc(F)c4)n3)[nH]c2c1 ZINC000033270876 557048298 /nfs/dbraw/zinc/04/82/98/557048298.db2.gz PYSLCDSYZUIVBT-UHFFFAOYSA-N 0 1 429.452 4.396 50 0 IIAAMN C[C@@H](NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1 ZINC000022927340 557049026 /nfs/dbraw/zinc/04/90/26/557049026.db2.gz QORFBSCCWXYJRW-OAQYLSRUSA-N 0 1 431.555 4.410 50 0 IIAAMN CCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000017953219 557130520 /nfs/dbraw/zinc/13/05/20/557130520.db2.gz NGTLWSVKRQPSLZ-SMIHKQSGSA-N 0 1 428.488 4.445 50 0 IIAAMN CCN1CCN(CC(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)CC1 ZINC000023257283 557134990 /nfs/dbraw/zinc/13/49/90/557134990.db2.gz CSZWHBGFXHZRIV-UHFFFAOYSA-N 0 1 434.403 4.176 50 0 IIAAMN O=C(CSc1nc(C2CC2)n[nH]1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000011474167 557152252 /nfs/dbraw/zinc/15/22/52/557152252.db2.gz SVXUGOLSOHIXOE-UHFFFAOYSA-N 0 1 425.583 4.343 50 0 IIAAMN O=C(CSc1n[nH]c(C2CC2)n1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000011474167 557152255 /nfs/dbraw/zinc/15/22/55/557152255.db2.gz SVXUGOLSOHIXOE-UHFFFAOYSA-N 0 1 425.583 4.343 50 0 IIAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100934095 557202782 /nfs/dbraw/zinc/20/27/82/557202782.db2.gz FSPQQKSLNXBBCG-BDTNDASRSA-N 0 1 434.879 4.400 50 0 IIAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101114878 557256562 /nfs/dbraw/zinc/25/65/62/557256562.db2.gz RJMNYYGBCXEPKN-VXNXHJTFSA-N 0 1 444.487 4.150 50 0 IIAAMN CCSCC[C@H](C)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000072305338 557283600 /nfs/dbraw/zinc/28/36/00/557283600.db2.gz ODNGNVGNXADKCK-INIZCTEOSA-N 0 1 443.569 4.070 50 0 IIAAMN Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c(C)c1 ZINC000247874909 557373093 /nfs/dbraw/zinc/37/30/93/557373093.db2.gz NOGABQKHFOYBGO-GSPCLOLRSA-N 0 1 428.532 4.434 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000102862114 557402988 /nfs/dbraw/zinc/40/29/88/557402988.db2.gz DDTYIZYWMBBEOU-WXFUMESZSA-N 0 1 428.488 4.363 50 0 IIAAMN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCC[C@H]2CCCC[C@H]21 ZINC000229982075 557834714 /nfs/dbraw/zinc/83/47/14/557834714.db2.gz ZFEWDPAJNNOVCY-DNQXCXABSA-N 0 1 431.580 4.375 50 0 IIAAMN COc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)ccc1OCc1c(C)noc1C ZINC000003410865 562935366 /nfs/dbraw/zinc/93/53/66/562935366.db2.gz QNPXDVDFXOYOCD-HXUWFJFHSA-N 0 1 439.512 4.039 50 0 IIAAMN CC(C)(C)OC[C@@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984482 568623210 /nfs/dbraw/zinc/62/32/10/568623210.db2.gz YPXJQBYYVQCWND-FCHUYYIVSA-N 0 1 432.511 4.136 50 0 IIAAMN Cc1ccc(O)c(C2C=C(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)N=N2)c1 ZINC000334158145 568750829 /nfs/dbraw/zinc/75/08/29/568750829.db2.gz TUEPIRKMQRHYPO-OBGWFSINSA-N 0 1 428.495 4.360 50 0 IIAAMN COc1ccc(-c2ccc(C(=O)[O-])c(N3CCC([N@H+]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000299768077 568756463 /nfs/dbraw/zinc/75/64/63/568756463.db2.gz FSYFCCHJXRMWQU-UHFFFAOYSA-N 0 1 443.547 4.483 50 0 IIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccco2)cc1OC ZINC000263585465 568759136 /nfs/dbraw/zinc/75/91/36/568759136.db2.gz JAJNYFCBUPKERN-ZDUSSCGKSA-N 0 1 434.400 4.217 50 0 biogenic IIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccco2)cc1OC ZINC000263585465 568759137 /nfs/dbraw/zinc/75/91/37/568759137.db2.gz JAJNYFCBUPKERN-ZDUSSCGKSA-N 0 1 434.400 4.217 50 0 biogenic IIAAMN O=S(=O)(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000012812382 568819056 /nfs/dbraw/zinc/81/90/56/568819056.db2.gz OIZYILPRCPTIEL-UHFFFAOYSA-N 0 1 443.838 4.148 50 0 IIAAMN COc1ccccc1-c1cc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)n[nH]1 ZINC000090607578 568889864 /nfs/dbraw/zinc/88/98/64/568889864.db2.gz QALIPJZPSVWKEK-UHFFFAOYSA-N 0 1 446.429 4.183 50 0 IIAAMN Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1C ZINC000245309748 568914267 /nfs/dbraw/zinc/91/42/67/568914267.db2.gz FYLCRYPUYAAHSU-WBADGQHESA-N 0 1 428.532 4.434 50 0 IIAAMN Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000064589616 568935012 /nfs/dbraw/zinc/93/50/12/568935012.db2.gz DBGDOYPDEDQJMU-UHFFFAOYSA-N 0 1 447.510 4.407 50 0 IIAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)c1 ZINC000036098457 568951789 /nfs/dbraw/zinc/95/17/89/568951789.db2.gz RFXXJFMCGHMBMB-HSZRJFAPSA-N 0 1 435.520 4.004 50 0 IIAAMN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102308 568952666 /nfs/dbraw/zinc/95/26/66/568952666.db2.gz NXSWIEPEWREQHE-HSZRJFAPSA-N 0 1 435.520 4.004 50 0 IIAAMN C[C@H](NC(=O)[C@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169678512 568989880 /nfs/dbraw/zinc/98/98/80/568989880.db2.gz DXJUHIVEXNDUNR-NOOLENRPSA-N 0 1 425.576 4.427 50 0 IIAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000036340914 569078566 /nfs/dbraw/zinc/07/85/66/569078566.db2.gz BCRRHBCUZZDLFE-DEOSSOPVSA-N 0 1 435.568 4.422 50 0 IIAAMN CC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340571 569078878 /nfs/dbraw/zinc/07/88/78/569078878.db2.gz PIZDZPRIAKCNSO-DEOSSOPVSA-N 0 1 430.596 4.244 50 0 IIAAMN CC1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341803 569078961 /nfs/dbraw/zinc/07/89/61/569078961.db2.gz VTDLVXUQRPQHCJ-NRFANRHFSA-N 0 1 439.943 4.478 50 0 IIAAMN COc1ccc(C2=NN(C(=O)CN3CCCC[C@@H]3C)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341330 569079396 /nfs/dbraw/zinc/07/93/96/569079396.db2.gz SGFUTCSASPHGSN-SBUREZEXSA-N 0 1 439.531 4.395 50 0 IIAAMN O=S(=O)(N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1)c1c(F)cccc1F ZINC000036390904 569097588 /nfs/dbraw/zinc/09/75/88/569097588.db2.gz BGIZILKRIZGZOM-LJQANCHMSA-N 0 1 431.439 4.173 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000065116118 569107197 /nfs/dbraw/zinc/10/71/97/569107197.db2.gz XXJSRGQCKLMMGE-UHFFFAOYSA-N 0 1 443.525 4.289 50 0 IIAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)c(C)n2CC)o1 ZINC000065186606 569114749 /nfs/dbraw/zinc/11/47/49/569114749.db2.gz QPVDJWWOCCAFPA-UHFFFAOYSA-N 0 1 438.937 4.200 50 0 IIAAMN COc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)cc1 ZINC000065265678 569127142 /nfs/dbraw/zinc/12/71/42/569127142.db2.gz BMTCULZSUQTIAB-SANMLTNESA-N 0 1 441.535 4.011 50 0 biogenic IIAAMN COc1ccc(CC(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016891198 569165693 /nfs/dbraw/zinc/16/56/93/569165693.db2.gz CXFQUJKJPAFMSN-FQRUVTKNSA-N 0 1 449.620 4.367 50 0 IIAAMN CCOC(=O)[C@@](NC(=O)c1ccc(OC)cc1)(Nc1ccccc1Cl)C(F)(F)F ZINC000002275426 569217818 /nfs/dbraw/zinc/21/78/18/569217818.db2.gz NKIRUZDAVCPLQT-SFHVURJKSA-N 0 1 430.810 4.012 50 0 IIAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000027522931 569262746 /nfs/dbraw/zinc/26/27/46/569262746.db2.gz VESKUDXFZRDARF-XZOQPEGZSA-N 0 1 426.472 4.065 50 0 IIAAMN Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c(C)c1 ZINC000002381450 569292609 /nfs/dbraw/zinc/29/26/09/569292609.db2.gz NOGABQKHFOYBGO-BJESRGMDSA-N 0 1 428.532 4.434 50 0 IIAAMN COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1ccc(C(F)(F)F)cc1)=N2 ZINC000012951451 569305205 /nfs/dbraw/zinc/30/52/05/569305205.db2.gz SOUBATUKMJPRFP-UHFFFAOYSA-N 0 1 435.427 4.246 50 0 IIAAMN CCOC(=O)C1C(CN2CCCc3ccccc32)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214423 569356450 /nfs/dbraw/zinc/35/64/50/569356450.db2.gz APJIVZYSOKFTMS-XMMPIXPASA-N 0 1 449.551 4.098 50 0 IIAAMN CCOC(CNC(=O)[C@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1)OCC ZINC000020240951 569357765 /nfs/dbraw/zinc/35/77/65/569357765.db2.gz LZHWWHTWPLCMNG-SFHVURJKSA-N 0 1 449.979 4.031 50 0 IIAAMN C[C@H](NCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 ZINC000096316531 569392745 /nfs/dbraw/zinc/39/27/45/569392745.db2.gz DYUXDNCVYRXHQB-CPJSRVTESA-N 0 1 448.588 4.225 50 0 IIAAMN CCn1c(-c2cc(NC(=O)c3cncc(Br)c3)[nH]n2)cc2cc(OC)ccc21 ZINC000096398566 569399716 /nfs/dbraw/zinc/39/97/16/569399716.db2.gz PJXDMUNRJCUHIM-UHFFFAOYSA-N 0 1 440.301 4.470 50 0 IIAAMN COc1ccc(-c2nc3c(s2)C[N@@H+]([C@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc1OC ZINC000031812677 569457746 /nfs/dbraw/zinc/45/77/46/569457746.db2.gz TUOWSASHWBESQR-QFIPXVFZSA-N 0 1 449.532 4.493 50 0 IIAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc1OC ZINC000031812677 569457747 /nfs/dbraw/zinc/45/77/47/569457747.db2.gz TUOWSASHWBESQR-QFIPXVFZSA-N 0 1 449.532 4.493 50 0 IIAAMN O=C(NC[C@@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000038628479 569464851 /nfs/dbraw/zinc/46/48/51/569464851.db2.gz RTMBATZDKGYUAK-DEOSSOPVSA-N 0 1 449.986 4.416 50 0 IIAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)ccc1O ZINC000008845549 569478783 /nfs/dbraw/zinc/47/87/83/569478783.db2.gz BCNAMVHPRBPTGM-RUZDIDTESA-N 0 1 441.487 4.284 50 0 IIAAMN COc1ccc(C(=O)Nc2nc(C)cs2)cc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000040150872 569493203 /nfs/dbraw/zinc/49/32/03/569493203.db2.gz FFWZYFHPRUFVNX-UHFFFAOYSA-N 0 1 431.539 4.130 50 0 IIAAMN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000040267472 569497366 /nfs/dbraw/zinc/49/73/66/569497366.db2.gz XBGAQAVBESATJA-FQEVSTJZSA-N 0 1 440.887 4.038 50 0 IIAAMN Cc1cc(C)[nH+]c([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(Cc3ccccc3)C2=O)n1 ZINC000040283846 569497954 /nfs/dbraw/zinc/49/79/54/569497954.db2.gz ARIPSCNBIBVUGB-QFIPXVFZSA-N 0 1 439.441 4.253 50 0 IIAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(CC)cc3)cc21 ZINC000040450280 569506275 /nfs/dbraw/zinc/50/62/75/569506275.db2.gz UKZHSAHARRBLDY-UHFFFAOYSA-N 0 1 437.359 4.111 50 0 IIAAMN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000009116156 569502916 /nfs/dbraw/zinc/50/29/16/569502916.db2.gz VRFYFNSZIGHCCU-UHFFFAOYSA-N 0 1 426.338 4.483 50 0 IIAAMN CCC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)CC1CC1 ZINC000245327421 569503673 /nfs/dbraw/zinc/50/36/73/569503673.db2.gz JDZXGQRHJNQYGL-NZQKXSOJSA-N 0 1 442.625 4.126 50 0 IIAAMN CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc21 ZINC000040450215 569506257 /nfs/dbraw/zinc/50/62/57/569506257.db2.gz MDIMYXACSVTTTH-UHFFFAOYSA-N 0 1 443.750 4.121 50 0 IIAAMN CN(C)CCN(C(=O)CCOc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000009151867 569507606 /nfs/dbraw/zinc/50/76/06/569507606.db2.gz ZWQWRMXISKRDMY-UHFFFAOYSA-N 0 1 448.386 4.423 50 0 IIAAMN CCCN1c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3OC)cc2OCC(C)(C)C1=O ZINC000009167655 569509005 /nfs/dbraw/zinc/50/90/05/569509005.db2.gz ZRPILYMVDYWMDL-UHFFFAOYSA-N 0 1 446.569 4.274 50 0 IIAAMN COc1ccc(CN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000009184776 569509973 /nfs/dbraw/zinc/50/99/73/569509973.db2.gz VHHWEAZIRVGLEG-XMMPIXPASA-N 0 1 427.460 4.242 50 0 IIAAMN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(OC(C)C)cc1)N(CCN(C)C)C3=O ZINC000009328266 569522832 /nfs/dbraw/zinc/52/28/32/569522832.db2.gz KSMPGJGSFYFIPD-HSZRJFAPSA-N 0 1 434.536 4.304 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccc(C)cc2)c1 ZINC000009363966 569525925 /nfs/dbraw/zinc/52/59/25/569525925.db2.gz IPHWORITSXKXQZ-UHFFFAOYSA-N 0 1 438.549 4.385 50 0 IIAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000009408921 569530745 /nfs/dbraw/zinc/53/07/45/569530745.db2.gz YVQHLPVPRALHFC-MHECFPHRSA-N 0 1 433.508 4.295 50 0 IIAAMN CCOC(=O)c1n[nH]c(-c2cc(CC)c(O)cc2O)c1-c1nnc(-c2ccccc2)s1 ZINC000009509545 569542561 /nfs/dbraw/zinc/54/25/61/569542561.db2.gz AAVLBPPZLYQIDG-UHFFFAOYSA-N 0 1 436.493 4.413 50 0 IIAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000009548681 569546483 /nfs/dbraw/zinc/54/64/83/569546483.db2.gz CNKPPKXFVLKJAY-UHFFFAOYSA-N 0 1 429.505 4.455 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)N2CCCCC2)cc1 ZINC000009584539 569549373 /nfs/dbraw/zinc/54/93/73/569549373.db2.gz YHUATMWABUOBFI-HSZRJFAPSA-N 0 1 447.535 4.498 50 0 IIAAMN COc1cc(C(=O)N(CCN(C)C)c2nc3c(ccc(C)c3C)s2)cc(OC)c1OC ZINC000009604103 569551876 /nfs/dbraw/zinc/55/18/76/569551876.db2.gz KXQZXVBGNRSYPG-UHFFFAOYSA-N 0 1 443.569 4.147 50 0 IIAAMN COc1cccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000009778857 569567301 /nfs/dbraw/zinc/56/73/01/569567301.db2.gz XOOVAOQPWYJJAA-FGZHOGPDSA-N 0 1 446.890 4.410 50 0 IIAAMN CCCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)c1 ZINC000010233105 569579410 /nfs/dbraw/zinc/57/94/10/569579410.db2.gz VGEFNDKNSWFDRM-HSZRJFAPSA-N 0 1 434.536 4.305 50 0 IIAAMN Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4c5ccccc5ccc4N(C)C3)C2=O)cc1Cl ZINC000009109037 132302993 /nfs/dbraw/zinc/30/29/93/132302993.db2.gz VOUKCSHUPLLTMQ-XMMPIXPASA-N 0 1 433.895 4.063 50 0 IIAAMN CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000012541821 521182713 /nfs/dbraw/zinc/18/27/13/521182713.db2.gz YFPRWRUYRSPJGX-UHFFFAOYSA-N 0 1 438.505 4.197 50 0 IIAAMN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020578024 521397833 /nfs/dbraw/zinc/39/78/33/521397833.db2.gz BKFKQVYGIQFIOC-UHFFFAOYSA-N 0 1 438.855 4.292 50 0 IIAAMN CCCn1c(CSc2nc3ccc(C)cc3[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000021170262 521630605 /nfs/dbraw/zinc/63/06/05/521630605.db2.gz ZIBKBCAAKNDHCK-UHFFFAOYSA-N 0 1 443.598 4.174 50 0 IIAAMN CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2cccc(C(C)=O)c2)CC1)c1ccccc1 ZINC000012302847 523833975 /nfs/dbraw/zinc/83/39/75/523833975.db2.gz SSNRMMIIRZDYQU-VWLOTQADSA-N 0 1 446.551 4.249 50 0 IIAAMN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3ccc(F)cc3F)C2)c(OC)c1 ZINC000012592368 524048075 /nfs/dbraw/zinc/04/80/75/524048075.db2.gz ISNNLAQADRSGQO-QGZVFWFLSA-N 0 1 432.511 4.291 50 0 IIAAMN Cc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(F)cc2)cc1C ZINC000035372582 525072732 /nfs/dbraw/zinc/07/27/32/525072732.db2.gz FQYBXZMXYVJMQF-UHFFFAOYSA-N 0 1 438.572 4.438 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N(C)C)cc1OC ZINC000021807566 525185469 /nfs/dbraw/zinc/18/54/69/525185469.db2.gz KKUZFMKCJJPLBR-JOCHJYFZSA-N 0 1 449.551 4.270 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(COc3ccccc3)cc2)N(C)C)cc1OC ZINC000013145958 525185729 /nfs/dbraw/zinc/18/57/29/525185729.db2.gz FLJKYRXRTRUISG-HSZRJFAPSA-N 0 1 434.536 4.316 50 0 IIAAMN Cc1cc(NC(=O)c2ccc(CN3CCN(C[C@H]4CCCO4)CC3)cc2)ccc1Cl ZINC000022799442 525245947 /nfs/dbraw/zinc/24/59/47/525245947.db2.gz QRUKBPWZZZYIFV-JOCHJYFZSA-N 0 1 427.976 4.197 50 0 IIAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012783540 525463821 /nfs/dbraw/zinc/46/38/21/525463821.db2.gz PPAOWUCDTZFXQX-IBGZPJMESA-N 0 1 429.492 4.038 50 0 IIAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)n1C ZINC000021030315 525569013 /nfs/dbraw/zinc/56/90/13/525569013.db2.gz OBJSILHCFMPRKY-UHFFFAOYSA-N 0 1 437.993 4.277 50 0 IIAAMN Cc1ccc2nc(CCc3cccc(NC(=O)CN4C(=O)COc5ccccc54)c3)[nH]c2c1 ZINC000021886241 526099372 /nfs/dbraw/zinc/09/93/72/526099372.db2.gz KLDGVHVSWAJEEC-UHFFFAOYSA-N 0 1 440.503 4.021 50 0 IIAAMN COc1cccc(N2C(=O)c3ccccc3/C(=C\NC[C@@H](c3ccccc3)N(C)C)C2=O)c1 ZINC000020665318 526143212 /nfs/dbraw/zinc/14/32/12/526143212.db2.gz MKAPJRABARRWGV-NJXRFNICSA-N 0 1 441.531 4.116 50 0 IIAAMN O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021805299 526494562 /nfs/dbraw/zinc/49/45/62/526494562.db2.gz KGWDLEUFPCMUMI-SFHVURJKSA-N 0 1 439.537 4.131 50 0 IIAAMN O=C(CCc1ccncc1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012434628 526625070 /nfs/dbraw/zinc/62/50/70/526625070.db2.gz 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C[C@H](Cn1cncn1)NCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000097102661 556988290 /nfs/dbraw/zinc/98/82/90/556988290.db2.gz TYUNGWBWCYXHIN-HSZRJFAPSA-N 0 1 448.574 4.493 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(F)cc1)=N2 ZINC000045994793 557014859 /nfs/dbraw/zinc/01/48/59/557014859.db2.gz XQKJFEQGCDQHDT-UHFFFAOYSA-N 0 1 446.498 4.099 50 0 IIAAMN Cc1nn(-c2cccc(F)c2)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057708 557029234 /nfs/dbraw/zinc/02/92/34/557029234.db2.gz USJLTJIETPPSJN-INIZCTEOSA-N 0 1 428.261 4.391 50 0 IIAAMN COc1cccc(OC)c1OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022920757 557047320 /nfs/dbraw/zinc/04/73/20/557047320.db2.gz FLWNDNXNAFAHLN-UHFFFAOYSA-N 0 1 432.564 4.490 50 0 IIAAMN Cc1cccc(-c2n[nH]c(SCc3noc(CCC(=O)Nc4ccc(F)cc4)n3)n2)c1 ZINC000033270819 557047854 /nfs/dbraw/zinc/04/78/54/557047854.db2.gz BVZQCHZQGUMSSC-UHFFFAOYSA-N 0 1 438.488 4.166 50 0 IIAAMN Cc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(-c2nnc(C3CC3)[nH]2)c1 ZINC000048265576 557050741 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ADWLDFXLYJEDMV-VXNXHJTFSA-N 0 1 444.487 4.063 50 0 IIAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000101041616 557214999 /nfs/dbraw/zinc/21/49/99/557214999.db2.gz ADWLDFXLYJEDMV-VXNXHJTFSA-N 0 1 444.487 4.063 50 0 IIAAMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2n[nH]c(CCC3CCCC3)n2)c1 ZINC000025608782 557219117 /nfs/dbraw/zinc/21/91/17/557219117.db2.gz MSMLWUOCCPIIPX-LJQANCHMSA-N 0 1 444.601 4.401 50 0 IIAAMN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc(CCC3CCCC3)n[nH]2)c1 ZINC000025608782 557219119 /nfs/dbraw/zinc/21/91/19/557219119.db2.gz MSMLWUOCCPIIPX-LJQANCHMSA-N 0 1 444.601 4.401 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000018062808 557234662 /nfs/dbraw/zinc/23/46/62/557234662.db2.gz ADWLDFXLYJEDMV-SMIHKQSGSA-N 0 1 444.487 4.063 50 0 IIAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018113476 557237851 /nfs/dbraw/zinc/23/78/51/557237851.db2.gz BSHNXEWKJQWCMI-SMIHKQSGSA-N 0 1 444.487 4.150 50 0 IIAAMN COC(=O)C1C(C)=NC(=O)N[C@H]1c1c(OC(=O)C=Cc2ccccc2)ccc2ccccc21 ZINC000033602455 557342349 /nfs/dbraw/zinc/34/23/49/557342349.db2.gz OMGIHEJKPXKYTA-JBDIQEJZSA-N 0 1 442.471 4.260 50 0 IIAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220675484 557364269 /nfs/dbraw/zinc/36/42/69/557364269.db2.gz HAORELBYUZLHQL-AWEZNQCLSA-N 0 1 437.500 4.422 50 0 IIAAMN CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102761293 557385173 /nfs/dbraw/zinc/38/51/73/557385173.db2.gz HQSPYXVGXOZEBV-DNVJHFABSA-N 0 1 432.451 4.276 50 0 IIAAMN CCOc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NCCCOC)[nH]2)cc1 ZINC000004927840 557409006 /nfs/dbraw/zinc/40/90/06/557409006.db2.gz LAFQDVHXHKSMJC-UHFFFAOYSA-N 0 1 425.554 4.387 50 0 IIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccnc4)cs3)cc2)n1 ZINC000000841140 557681763 /nfs/dbraw/zinc/68/17/63/557681763.db2.gz XFUUTASJGNQPSY-UHFFFAOYSA-N 0 1 438.538 4.156 50 0 IIAAMN COc1ccccc1N(C1CCN(C)CC1)S(=O)(=O)c1ccc(SC)c(Cl)c1 ZINC000225694360 557765160 /nfs/dbraw/zinc/76/51/60/557765160.db2.gz PSGWEGQNHIALGE-UHFFFAOYSA-N 0 1 441.018 4.360 50 0 IIAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000008609810 562957958 /nfs/dbraw/zinc/95/79/58/562957958.db2.gz AZVSEOOEHSWCGO-UHFFFAOYSA-N 0 1 444.944 4.207 50 0 IIAAMN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000009493904 562972207 /nfs/dbraw/zinc/97/22/07/562972207.db2.gz BJUNOWCSYLKBKX-UHFFFAOYSA-N 0 1 426.494 4.033 50 0 IIAAMN CCc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000009587346 562973610 /nfs/dbraw/zinc/97/36/10/562973610.db2.gz VRKDKQYIGHMSJY-UHFFFAOYSA-N 0 1 438.549 4.331 50 0 IIAAMN Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCN3CCc4ccccc4C3)cc12 ZINC000020183159 563023995 /nfs/dbraw/zinc/02/39/95/563023995.db2.gz SDCVEQJTOIRVNG-UHFFFAOYSA-N 0 1 445.636 4.488 50 0 IIAAMN Cc1ccccc1C1=NO[C@@H](CN(Cc2cccc(F)c2)C[C@@H](O)COC(C)(C)C)C1 ZINC000104982778 568623167 /nfs/dbraw/zinc/62/31/67/568623167.db2.gz MHHSXSQYTKQNJZ-FGZHOGPDSA-N 0 1 428.548 4.305 50 0 IIAAMN O[C@@H](COCc1ccccc1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983504 568623979 /nfs/dbraw/zinc/62/39/79/568623979.db2.gz FNVKEINNWILHID-CLJLJLNGSA-N 0 1 448.538 4.399 50 0 IIAAMN O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc2ccccc21 ZINC000018992376 568631129 /nfs/dbraw/zinc/63/11/29/568631129.db2.gz NWKAUMDMECDBTO-HXUWFJFHSA-N 0 1 428.469 4.364 50 0 IIAAMN CNC(=O)c1cc(C(=O)c2ccc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)ccn1 ZINC000085393817 568817109 /nfs/dbraw/zinc/81/71/09/568817109.db2.gz SMKOZEPUHOPWMR-UHFFFAOYSA-N 0 1 439.397 4.311 50 0 IIAAMN O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000026319724 568876741 /nfs/dbraw/zinc/87/67/41/568876741.db2.gz YIIFWURMHUXTJJ-UHFFFAOYSA-N 0 1 432.895 4.302 50 0 IIAAMN COc1ccccc1-c1coc2c3c(cc(=O)c-2c1O)OC(=O)C[C@H]3c1ccc(O)cc1 ZINC000524730207 568903824 /nfs/dbraw/zinc/90/38/24/568903824.db2.gz ZTDPKPSBFYBSBL-INIZCTEOSA-N 0 1 430.412 4.321 50 0 biogenic IIAAMN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)cc1 ZINC000036102333 568952714 /nfs/dbraw/zinc/95/27/14/568952714.db2.gz NWAQBNQPCPNEPH-QFIPXVFZSA-N 0 1 435.520 4.174 50 0 IIAAMN CCNc1nc(C)cc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc2)n1 ZINC000064802070 568961668 /nfs/dbraw/zinc/96/16/68/568961668.db2.gz GZWGJOOHUXBJOS-UHFFFAOYSA-N 0 1 427.530 4.078 50 0 IIAAMN COc1cccc(CN(C[C@H](O)Cc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146491 568962731 /nfs/dbraw/zinc/96/27/31/568962731.db2.gz FJISBFYCMXUTRT-AOYPEHQESA-N 0 1 430.548 4.294 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036343829 569079786 /nfs/dbraw/zinc/07/97/86/569079786.db2.gz OQJVNOVWWKSXCW-XMMPIXPASA-N 0 1 439.003 4.272 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC ZINC000036346393 569081210 /nfs/dbraw/zinc/08/12/10/569081210.db2.gz JEJJZUYJSCSXKN-OAQYLSRUSA-N 0 1 427.520 4.331 50 0 IIAAMN CCc1nnc(-c2csc(S(=O)(=O)Nc3ccc(Br)cc3F)c2)o1 ZINC000065098642 569104265 /nfs/dbraw/zinc/10/42/65/569104265.db2.gz PBVBPXHPFJIIFO-UHFFFAOYSA-N 0 1 432.296 4.063 50 0 IIAAMN COc1c2c(cc3c1[C@@H](Cc1ccc(NC(=O)c4ccccc4)cc1)[N@@H+](C)CC3)OCO2 ZINC000524730852 569126200 /nfs/dbraw/zinc/12/62/00/569126200.db2.gz ZLTHZTVAVHVGED-OAQYLSRUSA-N 0 1 430.504 4.448 50 0 biogenic IIAAMN COc1ccc(C(=O)N2CCC[C@]3(C2)Nc2cccnc2N=C3NCc2ccccc2)cc1 ZINC000065265677 569127121 /nfs/dbraw/zinc/12/71/21/569127121.db2.gz BMTCULZSUQTIAB-AREMUKBSSA-N 0 1 441.535 4.011 50 0 biogenic IIAAMN Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000017012372 569170710 /nfs/dbraw/zinc/17/07/10/569170710.db2.gz YRVILSGZYMIVHL-UHFFFAOYSA-N 0 1 427.552 4.015 50 0 IIAAMN Cc1cc(N2CCCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1 ZINC000017013980 569170876 /nfs/dbraw/zinc/17/08/76/569170876.db2.gz RQOHTHWTWZBAQK-UHFFFAOYSA-N 0 1 441.532 4.459 50 0 IIAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc12 ZINC000020153714 569353515 /nfs/dbraw/zinc/35/35/15/569353515.db2.gz WUHRWVTZXWAERM-HGHGUNKESA-N 0 1 425.646 4.406 50 0 IIAAMN CCOC(CNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1)OCC ZINC000020240791 569357811 /nfs/dbraw/zinc/35/78/11/569357811.db2.gz RAEXMCKMVLYRDS-UHFFFAOYSA-N 0 1 449.979 4.031 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N[C@H]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000020331420 569360948 /nfs/dbraw/zinc/36/09/48/569360948.db2.gz KDTGZBQKCQLEIE-YOEHRIQHSA-N 0 1 442.585 4.414 50 0 IIAAMN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000095454892 569368411 /nfs/dbraw/zinc/36/84/11/569368411.db2.gz MXASZZPHVRUHCE-FQEVSTJZSA-N 0 1 430.512 4.077 50 0 IIAAMN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000095454892 569368412 /nfs/dbraw/zinc/36/84/12/569368412.db2.gz MXASZZPHVRUHCE-FQEVSTJZSA-N 0 1 430.512 4.077 50 0 IIAAMN O=C(CCc1nc(CSc2nc(-c3ccco3)n[nH]2)no1)Nc1ccc(Cl)cc1F ZINC000095481951 569374164 /nfs/dbraw/zinc/37/41/64/569374164.db2.gz ARLCWWTUGZTPIF-UHFFFAOYSA-N 0 1 448.867 4.104 50 0 IIAAMN CC(C)([C@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000096011853 569379890 /nfs/dbraw/zinc/37/98/90/569379890.db2.gz RPPJZTQBIPACKW-OAQYLSRUSA-N 0 1 443.494 4.267 50 0 IIAAMN COc1ccc(OC)c([C@@H](CCN2CCN(C)CC2)Oc2cccc(C(F)(F)F)c2)c1 ZINC000096281686 569390052 /nfs/dbraw/zinc/39/00/52/569390052.db2.gz GZOYZXLNVKLCJB-JOCHJYFZSA-N 0 1 438.490 4.480 50 0 IIAAMN C[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000097064079 569403001 /nfs/dbraw/zinc/40/30/01/569403001.db2.gz JJKQSJZZFXVMKC-JOCHJYFZSA-N 0 1 429.564 4.093 50 0 IIAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc(Cl)c1Cl ZINC000031815064 569457957 /nfs/dbraw/zinc/45/79/57/569457957.db2.gz ZVAOUBBYUXRLEC-CYBMUJFWSA-N 0 1 436.686 4.427 50 0 IIAAMN COc1cc(OC)nc(Oc2ccc(NS(=O)(=O)c3ccccc3Cl)c(C)c2)n1 ZINC000004106769 569459080 /nfs/dbraw/zinc/45/90/80/569459080.db2.gz SAVDDZJWEXTXJQ-UHFFFAOYSA-N 0 1 435.889 4.049 50 0 IIAAMN CN1CCN(c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 ZINC000004122560 569460045 /nfs/dbraw/zinc/46/00/45/569460045.db2.gz XUWWNSPLLIASNB-UHFFFAOYSA-N 0 1 445.013 4.433 50 0 IIAAMN O=C(c1cccs1)N1CCc2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2C1 ZINC000038710636 569467860 /nfs/dbraw/zinc/46/78/60/569467860.db2.gz XLKCBNVAOAXGHZ-UHFFFAOYSA-N 0 1 449.557 4.296 50 0 IIAAMN O=C(CSc1ncnc2sccc21)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000008774361 569475339 /nfs/dbraw/zinc/47/53/39/569475339.db2.gz FLKCHPYQPMXKQX-UHFFFAOYSA-N 0 1 433.002 4.218 50 0 IIAAMN Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(F)cc3F)ccc1O2 ZINC000008961484 569491049 /nfs/dbraw/zinc/49/10/49/569491049.db2.gz WURABRQJYYUNTM-UHFFFAOYSA-N 0 1 430.432 4.456 50 0 IIAAMN COc1ccccc1[C@H](CNC(=O)Cc1ccc(Br)cc1)N1CCCCC1 ZINC000040156821 569494174 /nfs/dbraw/zinc/49/41/74/569494174.db2.gz ADBUOGOKNAEHKF-FQEVSTJZSA-N 0 1 431.374 4.344 50 0 IIAAMN COC(=O)c1cc(F)ccc1NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1F ZINC000040284494 569497902 /nfs/dbraw/zinc/49/79/02/569497902.db2.gz WFMSAMABSGJOLK-LJQANCHMSA-N 0 1 446.841 4.308 50 0 IIAAMN CSc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCO)cc1 ZINC000009243700 569514987 /nfs/dbraw/zinc/51/49/87/569514987.db2.gz LPNRYQAVONWYSK-FQEVSTJZSA-N 0 1 429.929 4.004 50 0 IIAAMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009255477 569516607 /nfs/dbraw/zinc/51/66/07/569516607.db2.gz ZLORHBRBHXGMNX-OAQYLSRUSA-N 0 1 444.560 4.014 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccccc2)c1 ZINC000009285160 569519159 /nfs/dbraw/zinc/51/91/59/569519159.db2.gz LFEYVGYHPYWZHK-UHFFFAOYSA-N 0 1 427.482 4.149 50 0 IIAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3OC(F)F)C[C@H]21 ZINC000009310976 569521772 /nfs/dbraw/zinc/52/17/72/569521772.db2.gz BSAGVDZCOCECHE-GOSISDBHSA-N 0 1 429.467 4.262 50 0 IIAAMN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)cc1 ZINC000009324679 569522672 /nfs/dbraw/zinc/52/26/72/569522672.db2.gz MRANOPGWERPXJG-HNNXBMFYSA-N 0 1 447.568 4.293 50 0 IIAAMN CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000009328260 569522780 /nfs/dbraw/zinc/52/27/80/569522780.db2.gz YCOQGTRYVXFBKM-HSZRJFAPSA-N 0 1 434.536 4.305 50 0 IIAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c1 ZINC000009403965 569529541 /nfs/dbraw/zinc/52/95/41/569529541.db2.gz GKFKYCDUIZZYHR-UHFFFAOYSA-N 0 1 427.507 4.176 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3ccsc3)ccc2Cl)cc1 ZINC000009444323 569535752 /nfs/dbraw/zinc/53/57/52/569535752.db2.gz RPMAIFVXTPKJRU-UHFFFAOYSA-N 0 1 436.942 4.392 50 0 IIAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000009490642 569540238 /nfs/dbraw/zinc/54/02/38/569540238.db2.gz YATCJCHSQLLLMH-UHFFFAOYSA-N 0 1 431.304 4.391 50 0 IIAAMN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1c(C)cccc1C(C)C ZINC000009507458 569542013 /nfs/dbraw/zinc/54/20/13/569542013.db2.gz IETPRYVEBNUNSV-UHFFFAOYSA-N 0 1 426.332 4.468 50 0 IIAAMN O=C(CC1(CC2=Nc3ccccc3S(=O)(=O)N2)CCCC1)NCc1ccc(Cl)cc1 ZINC000009529616 569544922 /nfs/dbraw/zinc/54/49/22/569544922.db2.gz NZESYQBQXKRGQP-UHFFFAOYSA-N 0 1 445.972 4.319 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2OC)cc1 ZINC000009540616 569545839 /nfs/dbraw/zinc/54/58/39/569545839.db2.gz CSMXTULSAUSPAZ-UHFFFAOYSA-N 0 1 432.523 4.209 50 0 IIAAMN CCCCN(C)C(=O)[C@H](C(=O)c1cc(Cl)ccc1Cl)n1cc(Cl)ccc1=O ZINC000009601549 569551624 /nfs/dbraw/zinc/55/16/24/569551624.db2.gz IJPFWMWYRNACAD-KRWDZBQOSA-N 0 1 429.731 4.491 50 0 IIAAMN COc1cc(Cl)c(NS(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)s2)c(OC)c1 ZINC000009686866 569560755 /nfs/dbraw/zinc/56/07/55/569560755.db2.gz DWZWEAVMHHGSCJ-UHFFFAOYSA-N 0 1 427.935 4.226 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccc(F)cc2)c1 ZINC000009689968 569560914 /nfs/dbraw/zinc/56/09/14/569560914.db2.gz YOTFMTSXFADWCD-UHFFFAOYSA-N 0 1 445.472 4.288 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)N2CCCC2)cc1 ZINC000009714067 569562725 /nfs/dbraw/zinc/56/27/25/569562725.db2.gz CEYALUSOMUAKNM-QHCPKHFHSA-N 0 1 447.535 4.416 50 0 IIAAMN COc1ccc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(OC)c1 ZINC000009724550 569563727 /nfs/dbraw/zinc/56/37/27/569563727.db2.gz LQRLNUPMKSZYLO-UHFFFAOYSA-N 0 1 434.315 4.226 50 0 IIAAMN Cc1ccc2nc(N3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)[nH]c2c1 ZINC000008599351 132285968 /nfs/dbraw/zinc/28/59/68/132285968.db2.gz MZLKAOWOIKALKR-UHFFFAOYSA-N 0 1 431.584 4.053 50 0 IIAAMN O=C1c2cccc3cccc(c32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000009489607 132319225 /nfs/dbraw/zinc/31/92/25/132319225.db2.gz WBWONSAKKRAKSN-UHFFFAOYSA-N 0 1 433.939 4.302 50 0 IIAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)COc2ccc(Cl)cc2)CC1 ZINC000009561226 132321495 /nfs/dbraw/zinc/32/14/95/132321495.db2.gz XRIFQVUSYSYDTL-UHFFFAOYSA-N 0 1 436.383 4.009 50 0 IIAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nc1Cc1ccccc1 ZINC000009645414 132324768 /nfs/dbraw/zinc/32/47/68/132324768.db2.gz AKNQTRWIRLMUPR-GOSISDBHSA-N 0 1 436.581 4.265 50 0 IIAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000009672424 132325188 /nfs/dbraw/zinc/32/51/88/132325188.db2.gz CHMMATGIWXPDFI-UHFFFAOYSA-N 0 1 447.835 4.359 50 0 IIAAMN 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CCOC(=O)c1c2c(sc1NC(=O)[C@@H](NC[C@H]1CCCO1)c1ccccc1)CCCC2 ZINC000057945524 556749659 /nfs/dbraw/zinc/74/96/59/556749659.db2.gz QWPWUTWXYVHECA-UTKZUKDTSA-N 0 1 442.581 4.252 50 0 IIAAMN O=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1ccc(Sc2ccccn2)cc1 ZINC000058215458 556772392 /nfs/dbraw/zinc/77/23/92/556772392.db2.gz JFRRYBWVQCZRSA-UHFFFAOYSA-N 0 1 445.548 4.194 50 0 IIAAMN Cc1ccc([C@@H](CNC(=O)c2cccnc2SCc2cc(C)on2)N2CCCC2)o1 ZINC000058218458 556773304 /nfs/dbraw/zinc/77/33/04/556773304.db2.gz SCVSYCRXPRSIDL-LJQANCHMSA-N 0 1 426.542 4.139 50 0 IIAAMN Cc1ccc2nc(N3CCC(C(=O)N4CCN(c5cccc(C)c5)[C@@H](C)C4)CC3)[nH]c2c1 ZINC000033070711 556851143 /nfs/dbraw/zinc/85/11/43/556851143.db2.gz XVEDUWZEQNLYAC-FQEVSTJZSA-N 0 1 431.584 4.133 50 0 IIAAMN CCc1nc(-c2ccc(C)c(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)c2)no1 ZINC000033086440 556857024 /nfs/dbraw/zinc/85/70/24/556857024.db2.gz GFQIVHPYEXPTBF-UHFFFAOYSA-N 0 1 437.905 4.079 50 0 IIAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4c(F)cccc4F)n3)[nH]c2c1 ZINC000033270875 557047693 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C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)NCCc1ccccc1 ZINC000024226180 557141686 /nfs/dbraw/zinc/14/16/86/557141686.db2.gz UZCPIYLWXSBPEN-ZDUSSCGKSA-N 0 1 431.359 4.074 50 0 IIAAMN COc1ccc(CN2CCCN(C(=O)c3cccc(NC(=O)c4cccs4)c3)CC2)cc1 ZINC000025081697 557194819 /nfs/dbraw/zinc/19/48/19/557194819.db2.gz PGYVVEZUKSWEKJ-UHFFFAOYSA-N 0 1 449.576 4.357 50 0 IIAAMN CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000011615419 557211584 /nfs/dbraw/zinc/21/15/84/557211584.db2.gz LXYZDUNNJRMHSC-GOSISDBHSA-N 0 1 435.282 4.346 50 0 IIAAMN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1 ZINC000033270893 557328574 /nfs/dbraw/zinc/32/85/74/557328574.db2.gz RNGUQAIPQAKVEF-UHFFFAOYSA-N 0 1 438.488 4.166 50 0 IIAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](C)O ZINC000105003796 557470781 /nfs/dbraw/zinc/47/07/81/557470781.db2.gz UNCAJBSARARORS-PGRDOPGGSA-N 0 1 430.614 4.079 50 0 IIAAMN COc1cccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000226820772 557809438 /nfs/dbraw/zinc/80/94/38/557809438.db2.gz FSPQQKSLNXBBCG-BHDDXSALSA-N 0 1 434.879 4.400 50 0 IIAAMN CC(C)c1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000006077057 562946160 /nfs/dbraw/zinc/94/61/60/562946160.db2.gz RWYDHRZWMMQRHT-UHFFFAOYSA-N 0 1 425.510 4.023 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 ZINC000008686663 562962790 /nfs/dbraw/zinc/96/27/90/562962790.db2.gz QEXWIBSUYZXMOH-UHFFFAOYSA-N 0 1 433.489 4.297 50 0 aggregator IIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4C[C@@H](C)C[C@H](C)C4)ccc3n2)CC1 ZINC000020153573 563023928 /nfs/dbraw/zinc/02/39/28/563023928.db2.gz QVHZVCDVVJVJRX-ROUUACIJSA-N 0 1 425.646 4.360 50 0 IIAAMN CC1CCN(Cc2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2C)CC1 ZINC000026121032 568852247 /nfs/dbraw/zinc/85/22/47/568852247.db2.gz YDCHAXIKTSAOTA-UHFFFAOYSA-N 0 1 426.948 4.476 50 0 IIAAMN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573412 568905446 /nfs/dbraw/zinc/90/54/46/568905446.db2.gz KELYDPDZFFHFEC-JKSUJKDBSA-N 0 1 430.346 4.127 50 0 IIAAMN O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000064557765 568931937 /nfs/dbraw/zinc/93/19/37/568931937.db2.gz WCAKNGYCDJXEOE-LJQANCHMSA-N 0 1 441.892 4.377 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092873 568951654 /nfs/dbraw/zinc/95/16/54/568951654.db2.gz DVBCYDGDKCRHIT-JJRVBVJISA-N 0 1 442.585 4.270 50 0 IIAAMN COc1cccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)c1 ZINC000036098455 568951855 /nfs/dbraw/zinc/95/18/55/568951855.db2.gz RFXXJFMCGHMBMB-QHCPKHFHSA-N 0 1 435.520 4.004 50 0 IIAAMN CC(C)(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146108 568962007 /nfs/dbraw/zinc/96/20/07/568962007.db2.gz YPXJQBYYVQCWND-YADHBBJMSA-N 0 1 432.511 4.136 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146353 568962455 /nfs/dbraw/zinc/96/24/55/568962455.db2.gz DIPUUSKYDCVKJV-PMACEKPBSA-N 0 1 434.939 4.260 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC ZINC000036304571 568994710 /nfs/dbraw/zinc/99/47/10/568994710.db2.gz OPECBSGEDFWDRE-NRFANRHFSA-N 0 1 439.556 4.201 50 0 IIAAMN CC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340573 569079000 /nfs/dbraw/zinc/07/90/00/569079000.db2.gz PIZDZPRIAKCNSO-XMMPIXPASA-N 0 1 430.596 4.244 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2Cl)CC1 ZINC000036343827 569079840 /nfs/dbraw/zinc/07/98/40/569079840.db2.gz OQJVNOVWWKSXCW-DEOSSOPVSA-N 0 1 439.003 4.272 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000036345058 569080439 /nfs/dbraw/zinc/08/04/39/569080439.db2.gz CMEPTFJVCLQOLS-XMMPIXPASA-N 0 1 439.003 4.272 50 0 IIAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)c1 ZINC000065060184 569095855 /nfs/dbraw/zinc/09/58/55/569095855.db2.gz WVCWDFFBHLSRDS-UHFFFAOYSA-N 0 1 432.523 4.105 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000065115999 569106992 /nfs/dbraw/zinc/10/69/92/569106992.db2.gz FLVZUGNYQBPJFR-UHFFFAOYSA-N 0 1 443.525 4.343 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000065116165 569107207 /nfs/dbraw/zinc/10/72/07/569107207.db2.gz YZPRUHCETIORAJ-UHFFFAOYSA-N 0 1 443.525 4.289 50 0 IIAAMN CC(C)Cn1c(=O)cc(O)nc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012972521 569188588 /nfs/dbraw/zinc/18/85/88/569188588.db2.gz FMYYFNBIDGSMKD-UHFFFAOYSA-N 0 1 435.855 4.008 50 0 IIAAMN CCNC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000037441672 569196855 /nfs/dbraw/zinc/19/68/55/569196855.db2.gz SMVNJTZLINTDOY-FQEVSTJZSA-N 0 1 448.489 4.496 50 0 IIAAMN CCCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000002973623 569212997 /nfs/dbraw/zinc/21/29/97/569212997.db2.gz PFXSHLQAFWACQM-UHFFFAOYSA-N 0 1 446.370 4.026 50 0 IIAAMN COc1ccccc1CC(=O)N1CCC(c2noc(-c3cc(-c4cccs4)n[nH]3)n2)CC1 ZINC000253472846 569282814 /nfs/dbraw/zinc/28/28/14/569282814.db2.gz QCNOZTRNOKPESM-UHFFFAOYSA-N 0 1 449.536 4.146 50 0 IIAAMN O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020285789 569359044 /nfs/dbraw/zinc/35/90/44/569359044.db2.gz KBEZVAAJOAYTOB-UHFFFAOYSA-N 0 1 426.442 4.157 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCCC(=O)N4CCC[C@@H](C)C4)c3=O)c2c1 ZINC000020329157 569360794 /nfs/dbraw/zinc/36/07/94/569360794.db2.gz FIVMVPKADUOXRH-OAHLLOKOSA-N 0 1 442.585 4.368 50 0 IIAAMN Cc1csc(NC(=O)C2CCN(CCc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 ZINC000095463345 569370302 /nfs/dbraw/zinc/37/03/02/569370302.db2.gz BSUGOGOHAISHSP-UHFFFAOYSA-N 0 1 435.977 4.159 50 0 IIAAMN O=C(c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)N1CCC=C(F)C1 ZINC000095993434 569378443 /nfs/dbraw/zinc/37/84/43/569378443.db2.gz UKVAEDOJIJCTRA-UHFFFAOYSA-N 0 1 429.300 4.494 50 0 IIAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096102940 569381959 /nfs/dbraw/zinc/38/19/59/569381959.db2.gz GMYCWSZAQYJIQA-UHFFFAOYSA-N 0 1 445.292 4.057 50 0 IIAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1O ZINC000096116104 569383611 /nfs/dbraw/zinc/38/36/11/569383611.db2.gz WPTILOUEFDZEIH-HNNXBMFYSA-N 0 1 430.412 4.321 50 0 biogenic IIAAMN COCCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c1C ZINC000002629027 569411969 /nfs/dbraw/zinc/41/19/69/569411969.db2.gz UECFFGKVWIPLGM-UHFFFAOYSA-N 0 1 449.374 4.274 50 0 IIAAMN CCc1ccc([C@H](NCC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 ZINC000057270682 569430338 /nfs/dbraw/zinc/43/03/38/569430338.db2.gz SZICRIJKCGGZJH-VWLOTQADSA-N 0 1 435.593 4.465 50 0 IIAAMN Cc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 ZINC000032201276 569460695 /nfs/dbraw/zinc/46/06/95/569460695.db2.gz OBUVEAYOWNFZRN-UHFFFAOYSA-N 0 1 425.330 4.110 50 0 IIAAMN Cc1[nH]c(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)nc1Cc1ccccc1 ZINC000008720176 569471541 /nfs/dbraw/zinc/47/15/41/569471541.db2.gz XWZWXVILDQHXEO-KRWDZBQOSA-N 0 1 431.565 4.464 50 0 IIAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)cc1 ZINC000008845153 569478709 /nfs/dbraw/zinc/47/87/09/569478709.db2.gz SIRGFRDQMXDWTO-JOCHJYFZSA-N 0 1 441.915 4.070 50 0 IIAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)c(Cl)c2)N(CCO)C3=O)c1 ZINC000008845519 569478825 /nfs/dbraw/zinc/47/88/25/569478825.db2.gz LRABOACMNRDSLH-LJQANCHMSA-N 0 1 432.307 4.243 50 0 IIAAMN COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)ccc1O ZINC000008845550 569478848 /nfs/dbraw/zinc/47/88/48/569478848.db2.gz BCNAMVHPRBPTGM-VWLOTQADSA-N 0 1 441.487 4.284 50 0 IIAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)c(Cl)c2)N(CCO)C3=O)c1 ZINC000008845520 569478868 /nfs/dbraw/zinc/47/88/68/569478868.db2.gz LRABOACMNRDSLH-IBGZPJMESA-N 0 1 432.307 4.243 50 0 IIAAMN COc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)N2CCCCC2)cc1 ZINC000008916044 569485656 /nfs/dbraw/zinc/48/56/56/569485656.db2.gz MJIZZHCRNXLBLM-NRFANRHFSA-N 0 1 447.373 4.180 50 0 IIAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Br)OCO4)N3)C1 ZINC000008927651 569487278 /nfs/dbraw/zinc/48/72/78/569487278.db2.gz NSRNNAGNOUZOIF-INIZCTEOSA-N 0 1 436.331 4.046 50 0 IIAAMN CCc1ccc(NS(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc1 ZINC000040450601 569506374 /nfs/dbraw/zinc/50/63/74/569506374.db2.gz QYGAPIAQMOAKGR-GFCCVEGCSA-N 0 1 437.359 4.110 50 0 IIAAMN Cc1cc([O-])c2c(C)c(CC(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000009184408 569509925 /nfs/dbraw/zinc/50/99/25/569509925.db2.gz PZNFTRKYAZPBMI-UHFFFAOYSA-N 0 1 448.563 4.076 50 0 IIAAMN CCN(CC)c1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000009285163 569519189 /nfs/dbraw/zinc/51/91/89/569519189.db2.gz UWTLLCYGQGOPIR-UHFFFAOYSA-N 0 1 443.525 4.188 50 0 IIAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408941 569530743 /nfs/dbraw/zinc/53/07/43/569530743.db2.gz KPUFVFBOXMQRCF-MHECFPHRSA-N 0 1 433.508 4.295 50 0 IIAAMN Nn1c(SCc2ccc(Br)cc2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000009487709 569539762 /nfs/dbraw/zinc/53/97/62/569539762.db2.gz BNOINFVYXXCNGR-UHFFFAOYSA-N 0 1 427.331 4.104 50 0 IIAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000009950787 569574392 /nfs/dbraw/zinc/57/43/92/569574392.db2.gz 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COc1ccc(N2Oc3c(O)n(-c4ccc(Cl)cc4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000102701189 557365350 /nfs/dbraw/zinc/36/53/50/557365350.db2.gz BFWHVTSVWUKBED-FSSWDIPSSA-N 0 1 434.879 4.400 50 0 IIAAMN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=S)NC(C)C)N(Cc1cccc(C)c1)CC2 ZINC000103051992 557417028 /nfs/dbraw/zinc/41/70/28/557417028.db2.gz GUGWXKDUQGFROS-MHECFPHRSA-N 0 1 441.641 4.373 50 0 IIAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000103333547 557434067 /nfs/dbraw/zinc/43/40/67/557434067.db2.gz RYGOEUQVJYQQQX-NOZRDPDXSA-N 0 1 426.516 4.145 50 0 IIAAMN O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000104919853 557465828 /nfs/dbraw/zinc/46/58/28/557465828.db2.gz NOLLZUXNQXRROR-AZGAKELHSA-N 0 1 429.539 4.005 50 0 IIAAMN CC(C)(C)c1cnc(CCC(=O)OCc2n[nH]c(Cc3ccccc3Br)n2)o1 ZINC000225391269 557717803 /nfs/dbraw/zinc/71/78/03/557717803.db2.gz GXDLTKPIPFFSGE-UHFFFAOYSA-N 0 1 447.333 4.120 50 0 IIAAMN CC(C)(C)c1cnc(CCC(=O)OCc2nnc(Cc3ccccc3Br)[nH]2)o1 ZINC000225391269 557717806 /nfs/dbraw/zinc/71/78/06/557717806.db2.gz GXDLTKPIPFFSGE-UHFFFAOYSA-N 0 1 447.333 4.120 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N[C@H]4CCCC[C@@H]4C)c3=O)c2c1 ZINC000015936992 563019145 /nfs/dbraw/zinc/01/91/45/563019145.db2.gz OCTAEBMTFXYRGK-BBRMVZONSA-N 0 1 428.558 4.024 50 0 IIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)n1 ZINC000000955277 568645875 /nfs/dbraw/zinc/64/58/75/568645875.db2.gz FBSHMGADGOJNDG-UHFFFAOYSA-N 0 1 443.337 4.206 50 0 IIAAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000001019936 568651264 /nfs/dbraw/zinc/65/12/64/568651264.db2.gz JZYDIGFMOMRZRH-QVJSAIJNSA-N 0 1 447.531 4.330 50 0 IIAAMN COc1ccc([C@@H]2[C@H](CN3CCN(c4ccccc4F)CC3)C(=O)N2c2ccccc2)cc1 ZINC000052525187 568658206 /nfs/dbraw/zinc/65/82/06/568658206.db2.gz GZYMWERPYIBWDE-JYFHCDHNSA-N 0 1 445.538 4.361 50 0 IIAAMN COc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)C[C@H]2OC(=O)Nc1ccc(C)cc1 ZINC000001399332 568785892 /nfs/dbraw/zinc/78/58/92/568785892.db2.gz BUJVQXCEDZBTOO-JKSUJKDBSA-N 0 1 438.402 4.425 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C[C@@H](C)c2ccncc2)ccc1C ZINC000084190135 568796015 /nfs/dbraw/zinc/79/60/15/568796015.db2.gz AOTMWGAOCVBACV-QGZVFWFLSA-N 0 1 439.537 4.332 50 0 IIAAMN COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCCN2[C@@]12C(=O)Nc1c2cc(C)cc1C ZINC000016027303 568864847 /nfs/dbraw/zinc/86/48/47/568864847.db2.gz VPBLXOLTDCARML-READRUSDSA-N 0 1 439.943 4.236 50 0 IIAAMN COc1ccc(N2Oc3c(O)n(-c4ccc(Cl)cc4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000239275137 568910963 /nfs/dbraw/zinc/91/09/63/568910963.db2.gz BFWHVTSVWUKBED-FKBYEOEOSA-N 0 1 434.879 4.400 50 0 IIAAMN COc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557785 568932152 /nfs/dbraw/zinc/93/21/52/568932152.db2.gz PFAAZGKNDWDOCD-FQEVSTJZSA-N 0 1 439.464 4.166 50 0 IIAAMN CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)[N@@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690133 568938586 /nfs/dbraw/zinc/93/85/86/568938586.db2.gz SRKGKCBQIXHYPJ-BIENJYKASA-N 0 1 430.574 4.143 50 0 IIAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2)cc1OC ZINC000036095988 568951643 /nfs/dbraw/zinc/95/16/43/568951643.db2.gz RPIRPYWJKQKOGA-JOCHJYFZSA-N 0 1 425.500 4.285 50 0 IIAAMN COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102306 568952734 /nfs/dbraw/zinc/95/27/34/568952734.db2.gz NXSWIEPEWREQHE-QHCPKHFHSA-N 0 1 435.520 4.004 50 0 IIAAMN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C[C@@H](O)COc2ccccc2)C1 ZINC000169679005 568990150 /nfs/dbraw/zinc/99/01/50/568990150.db2.gz YFCYLQFKSYXUAZ-NOZRDPDXSA-N 0 1 430.548 4.430 50 0 IIAAMN Cc1cccc(Cc2nc(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)n[nH]2)c1 ZINC000064969841 569076206 /nfs/dbraw/zinc/07/62/06/569076206.db2.gz TVBOFBXDRNQEPA-UHFFFAOYSA-N 0 1 438.597 4.273 50 0 IIAAMN CCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)CC)CC2)c1Cc1ccccc1F ZINC000036340839 569078499 /nfs/dbraw/zinc/07/84/99/569078499.db2.gz RJBNOVHUQRPYRC-QFIPXVFZSA-N 0 1 448.586 4.329 50 0 IIAAMN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036344183 569080022 /nfs/dbraw/zinc/08/00/22/569080022.db2.gz KMIMKWUCTJFIOD-HSZRJFAPSA-N 0 1 439.531 4.253 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COC ZINC000036346611 569081361 /nfs/dbraw/zinc/08/13/61/569081361.db2.gz VNXVZEIYYQESOH-FQEVSTJZSA-N 0 1 445.510 4.471 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2C)c1 ZINC000065116218 569107189 /nfs/dbraw/zinc/10/71/89/569107189.db2.gz PSKZFPYNBVFIMC-UHFFFAOYSA-N 0 1 447.488 4.119 50 0 IIAAMN COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CN2CCC(C)CC2)cc1OC ZINC000007446732 569140393 /nfs/dbraw/zinc/14/03/93/569140393.db2.gz IPNGLPSFWFFTJI-IBGZPJMESA-N 0 1 427.570 4.175 50 0 IIAAMN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037210705 569140812 /nfs/dbraw/zinc/14/08/12/569140812.db2.gz VMSCUJJAWUUCAI-OALUTQOASA-N 0 1 440.565 4.127 50 0 IIAAMN O=c1nc2n(nc1-c1ccccc1)C1(CCN(Cc3ccccc3)CC1)Nc1ccccc1-2 ZINC000170620070 569147735 /nfs/dbraw/zinc/14/77/35/569147735.db2.gz NOPYTTRWPHUKRF-UHFFFAOYSA-N 0 1 435.531 4.347 50 0 IIAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000009882208 569149521 /nfs/dbraw/zinc/14/95/21/569149521.db2.gz ZBWLEQVNMCQGIQ-UHFFFAOYSA-N 0 1 449.532 4.175 50 0 IIAAMN O[C@H](COc1cccc2ccccc21)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017201200 569176040 /nfs/dbraw/zinc/17/60/40/569176040.db2.gz JFITTYXWDMGSKS-NRFANRHFSA-N 0 1 430.470 4.421 50 0 IIAAMN COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2)c2c(O)cc(C)oc2=O)cc1O ZINC000253471577 569282675 /nfs/dbraw/zinc/28/26/75/569282675.db2.gz VKIWKGGJGFCFJS-MRXNPFEDSA-N 0 1 429.856 4.182 50 0 IIAAMN CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NS(=O)(=O)c3ccc(C)cc3C)c21 ZINC000002363721 569287832 /nfs/dbraw/zinc/28/78/32/569287832.db2.gz LGEOLXSKIDCYGT-UHFFFAOYSA-N 0 1 430.526 4.090 50 0 IIAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)NCc4ccc(OC)cc4)ccc3n2)CC1 ZINC000020153623 569353574 /nfs/dbraw/zinc/35/35/74/569353574.db2.gz XDVJNALNBMDLHC-UHFFFAOYSA-N 0 1 449.624 4.180 50 0 IIAAMN CCOC(=O)C1C(CN(CC)c2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214558 569356531 /nfs/dbraw/zinc/35/65/31/569356531.db2.gz JLBLATKBONRCTH-HSZRJFAPSA-N 0 1 437.540 4.171 50 0 IIAAMN COc1ccc(CN2CCC(NC(=O)CC3(n4cccc4)CCCCC3)CC2)cc1OC ZINC000095477411 569373264 /nfs/dbraw/zinc/37/32/64/569373264.db2.gz UPTVLAWVPGMZDQ-UHFFFAOYSA-N 0 1 439.600 4.336 50 0 IIAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1O ZINC000096115016 569383057 /nfs/dbraw/zinc/38/30/57/569383057.db2.gz LKNSDIPVTHXBNG-HNNXBMFYSA-N 0 1 446.411 4.026 50 0 biogenic IIAAMN CCn1c(-c2cc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)[nH]n2)cc2ccccc21 ZINC000096398548 569399688 /nfs/dbraw/zinc/39/96/88/569399688.db2.gz SXPQUYHRZIODEJ-UHFFFAOYSA-N 0 1 434.496 4.258 50 0 IIAAMN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000057412388 569433706 /nfs/dbraw/zinc/43/37/06/569433706.db2.gz JYWSWUGPSGAVFE-UHFFFAOYSA-N 0 1 432.933 4.013 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2cccs2)c1 ZINC000031346264 569456141 /nfs/dbraw/zinc/45/61/41/569456141.db2.gz NGHTVPQKJHHBSG-UHFFFAOYSA-N 0 1 430.551 4.138 50 0 IIAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)C1(c2cccc(Cl)c2)CCCC1 ZINC000032243356 569460906 /nfs/dbraw/zinc/46/09/06/569460906.db2.gz QLUAQSCMNUWZSZ-UHFFFAOYSA-N 0 1 426.004 4.480 50 0 IIAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000008705602 569470387 /nfs/dbraw/zinc/47/03/87/569470387.db2.gz ANKHVBGRJHIFFK-CYBMUJFWSA-N 0 1 425.495 4.189 50 0 IIAAMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc(-c3cccs3)n[nH]2)c1 ZINC000008709250 569470729 /nfs/dbraw/zinc/47/07/29/569470729.db2.gz XSFVXURUCKKCTA-HNNXBMFYSA-N 0 1 430.555 4.006 50 0 IIAAMN COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000008770062 569475093 /nfs/dbraw/zinc/47/50/93/569475093.db2.gz DMOQECWMDNFMAS-QGZVFWFLSA-N 0 1 449.551 4.245 50 0 IIAAMN COC(=O)C1C(CSc2nc3ccc(C)cc3[nH]2)=NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008816197 569476746 /nfs/dbraw/zinc/47/67/46/569476746.db2.gz MUDGESLWNVOZBT-HXUWFJFHSA-N 0 1 436.537 4.061 50 0 IIAAMN COC(=O)C1=C(CSc2nc3cc(C)ccc3[nH]2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008816197 569476747 /nfs/dbraw/zinc/47/67/47/569476747.db2.gz MUDGESLWNVOZBT-HXUWFJFHSA-N 0 1 436.537 4.061 50 0 IIAAMN COC(=O)C1=C(CSc2nc3ccc(C)cc3[nH]2)NC(=O)N[C@@H]1c1ccc(C)cc1C ZINC000008816197 569476748 /nfs/dbraw/zinc/47/67/48/569476748.db2.gz MUDGESLWNVOZBT-HXUWFJFHSA-N 0 1 436.537 4.061 50 0 IIAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2cccnc2)c1 ZINC000008845721 569478899 /nfs/dbraw/zinc/47/88/99/569478899.db2.gz CJJRLKPMBMCENQ-DEOSSOPVSA-N 0 1 426.476 4.240 50 0 IIAAMN CC(=O)Nc1cccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000008879895 569481462 /nfs/dbraw/zinc/48/14/62/569481462.db2.gz CXHSBALBVBWKSN-UHFFFAOYSA-N 0 1 444.443 4.142 50 0 biogenic IIAAMN COc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)N2CCCCC2)cc1 ZINC000008916041 569485701 /nfs/dbraw/zinc/48/57/01/569485701.db2.gz MJIZZHCRNXLBLM-OAQYLSRUSA-N 0 1 447.373 4.180 50 0 IIAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1Cl ZINC000040266826 569497279 /nfs/dbraw/zinc/49/72/79/569497279.db2.gz GYZHSRZZRYPDCV-LJQANCHMSA-N 0 1 439.343 4.107 50 0 IIAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)c(Cl)c2)c1 ZINC000040284973 569497957 /nfs/dbraw/zinc/49/79/57/569497957.db2.gz WTDKFAVAIVUUKC-IBGZPJMESA-N 0 1 428.851 4.168 50 0 IIAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(C(C)C)cc2)N(CCO)C3=O)cc1Cl ZINC000009124575 569504378 /nfs/dbraw/zinc/50/43/78/569504378.db2.gz IHAHIXZZETVSLJ-JOCHJYFZSA-N 0 1 425.916 4.405 50 0 IIAAMN CCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN(C)C)cc1 ZINC000009328262 569522846 /nfs/dbraw/zinc/52/28/46/569522846.db2.gz YCOQGTRYVXFBKM-QHCPKHFHSA-N 0 1 434.536 4.305 50 0 IIAAMN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc2ccc(C)cc2[nH]1 ZINC000009349569 569524819 /nfs/dbraw/zinc/52/48/19/569524819.db2.gz XEOGBFQNENGQQB-UHFFFAOYSA-N 0 1 431.539 4.351 50 0 IIAAMN CCCCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)c1 ZINC000009409208 569530943 /nfs/dbraw/zinc/53/09/43/569530943.db2.gz IGHRJCNECFGURO-DEOSSOPVSA-N 0 1 435.524 4.279 50 0 IIAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1c2c(sc1-n1cccc1)CSCC2 ZINC000009449794 569536222 /nfs/dbraw/zinc/53/62/22/569536222.db2.gz YWSJNGFHSXJQRG-QGZVFWFLSA-N 0 1 427.595 4.488 50 0 IIAAMN Cc1ccc(-n2c(=O)c3cn[nH]c3nc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000009490645 569540298 /nfs/dbraw/zinc/54/02/98/569540298.db2.gz AHJUFSTUPNKXNQ-UHFFFAOYSA-N 0 1 439.928 4.110 50 0 IIAAMN COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000009508406 569542320 /nfs/dbraw/zinc/54/23/20/569542320.db2.gz WZMOIQWXJOKURY-UHFFFAOYSA-N 0 1 448.903 4.470 50 0 IIAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3cc4ccccc4oc3=O)sc2c1 ZINC000009603850 569551782 /nfs/dbraw/zinc/55/17/82/569551782.db2.gz MUKDUDCJUWOTCD-UHFFFAOYSA-N 0 1 437.521 4.010 50 0 IIAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)C2CCC(C(C)(C)C)CC2)cc1 ZINC000009637222 569554769 /nfs/dbraw/zinc/55/47/69/569554769.db2.gz SUTFUBZGFAOFDR-UHFFFAOYSA-N 0 1 449.661 4.192 50 0 IIAAMN O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000009666692 569557747 /nfs/dbraw/zinc/55/77/47/569557747.db2.gz GEMHUCABEUMTAQ-QHCPKHFHSA-N 0 1 432.520 4.233 50 0 IIAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c1 ZINC000009685493 569560628 /nfs/dbraw/zinc/56/06/28/569560628.db2.gz HEFNCFKEUNKQPU-UHFFFAOYSA-N 0 1 442.537 4.449 50 0 IIAAMN CC1=Nc2ncnn2[C@@H](c2cc(Br)ccc2F)C1C(=O)OC1CCCCC1 ZINC000009941952 569573966 /nfs/dbraw/zinc/57/39/66/569573966.db2.gz RURARUKYZNRSKH-KRWDZBQOSA-N 0 1 435.297 4.345 50 0 IIAAMN COc1ccc2nc(SCC(=O)Nc3ccccc3C(=O)NCc3ccccc3)[nH]c2c1 ZINC000009952901 569574659 /nfs/dbraw/zinc/57/46/59/569574659.db2.gz COXIHPBDEHNSQT-UHFFFAOYSA-N 0 1 446.532 4.232 50 0 IIAAMN COc1cccc([C@H](CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)N2CCCC2)c1 ZINC000010030569 569577348 /nfs/dbraw/zinc/57/73/48/569577348.db2.gz JJTMMQMRMHWYGZ-VWLOTQADSA-N 0 1 449.551 4.446 50 0 IIAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000078265944 569586605 /nfs/dbraw/zinc/58/66/05/569586605.db2.gz XNHNPQPOZAUXIW-MHECFPHRSA-N 0 1 444.922 4.475 50 0 IIAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000078265941 569586652 /nfs/dbraw/zinc/58/66/52/569586652.db2.gz XNHNPQPOZAUXIW-HOYKHHGWSA-N 0 1 444.922 4.475 50 0 IIAAMN Cc1ccc(CN2CCN(c3ncnc4c3cnn4Cc3ccc(Cl)cc3)CC2)cc1 ZINC000002520452 132254865 /nfs/dbraw/zinc/25/48/65/132254865.db2.gz WKTOSKRHRGHVJE-UHFFFAOYSA-N 0 1 432.959 4.159 50 0 IIAAMN Cn1c2ccc(Cl)cc2c(Cl)c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1=O ZINC000008715803 132291579 /nfs/dbraw/zinc/29/15/79/132291579.db2.gz HMDFGYZGWIKVGA-UHFFFAOYSA-N 0 1 429.307 4.225 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1N1CCCCC1 ZINC000009403513 132314753 /nfs/dbraw/zinc/31/47/53/132314753.db2.gz JKAOSURBHKRRBA-UHFFFAOYSA-N 0 1 443.569 4.225 50 0 IIAAMN CCC(CC)c1nn2c(nc(CSc3nc(-c4cccc(C)c4)n[nH]3)cc2=O)s1 ZINC000020582756 521634682 /nfs/dbraw/zinc/63/46/82/521634682.db2.gz 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4.024 50 0 IIAAMN O=C(c1ccccc1)c1ccc(OCCOCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000022921240 563025827 /nfs/dbraw/zinc/02/58/27/563025827.db2.gz ZSTJHRUCJAHTDK-UHFFFAOYSA-N 0 1 444.575 4.131 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984451 568623045 /nfs/dbraw/zinc/62/30/45/568623045.db2.gz DIPUUSKYDCVKJV-VQTJNVASSA-N 0 1 434.939 4.260 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000001117954 568659873 /nfs/dbraw/zinc/65/98/73/568659873.db2.gz TYYHXAKCCLFSJA-UHFFFAOYSA-N 0 1 439.493 4.343 50 0 IIAAMN CN1CCN(c2ccc(NCc3cccc(NC(=O)c4ccccc4Cl)c3)cn2)CC1 ZINC000083881703 568784320 /nfs/dbraw/zinc/78/43/20/568784320.db2.gz FKZWJTGPTPZWFQ-UHFFFAOYSA-N 0 1 435.959 4.351 50 0 IIAAMN C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@H]1CCCc2ccccc21 ZINC000240333268 568911794 /nfs/dbraw/zinc/91/17/94/568911794.db2.gz FCODSWXMOYDNTN-ICSRJNTNSA-N 0 1 431.458 4.302 50 0 IIAAMN CN(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)[C@H]1CCCc2ccccc21 ZINC000240333268 568911795 /nfs/dbraw/zinc/91/17/95/568911795.db2.gz FCODSWXMOYDNTN-ICSRJNTNSA-N 0 1 431.458 4.302 50 0 IIAAMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000089420111 568924504 /nfs/dbraw/zinc/92/45/04/568924504.db2.gz XTHMAVVGGZBGIR-KSSFIOAISA-N 0 1 441.329 4.365 50 0 IIAAMN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000089420111 568924505 /nfs/dbraw/zinc/92/45/05/568924505.db2.gz XTHMAVVGGZBGIR-KSSFIOAISA-N 0 1 441.329 4.365 50 0 IIAAMN COc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557742 568931833 /nfs/dbraw/zinc/93/18/33/568931833.db2.gz UNKRBEJMIVDFQJ-OAQYLSRUSA-N 0 1 435.501 4.335 50 0 IIAAMN CCNC(=O)N[C@@H](CC)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccc(C)cc1 ZINC000006695782 568952424 /nfs/dbraw/zinc/95/24/24/568952424.db2.gz VKESGOSEXZWSNU-XUZZJYLKSA-N 0 1 425.573 4.209 50 0 IIAAMN O[C@H](COCc1ccccc1)CN(Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146221 568962035 /nfs/dbraw/zinc/96/20/35/568962035.db2.gz VKGQATDSZHLVSF-ZEQRLZLVSA-N 0 1 448.538 4.399 50 0 IIAAMN COc1ccc(C2=NN(C(=O)CN3CCCC[C@H]3C)[C@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341329 569079286 /nfs/dbraw/zinc/07/92/86/569079286.db2.gz SGFUTCSASPHGSN-HXOBKFHXSA-N 0 1 439.531 4.395 50 0 IIAAMN CCC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000036392124 569098230 /nfs/dbraw/zinc/09/82/30/569098230.db2.gz JEAIKYLDUVSQGX-UNMCSNQZSA-N 0 1 425.525 4.017 50 0 IIAAMN CCOc1ccccc1NS(=O)(=O)c1cc(-c2c(CC)noc2NC(C)=O)ccc1C ZINC000065116368 569107269 /nfs/dbraw/zinc/10/72/69/569107269.db2.gz AFIAEICAVRTGOS-UHFFFAOYSA-N 0 1 443.525 4.370 50 0 IIAAMN O=C(Cn1nc(C(F)F)c2c1CCC2)Nc1n[nH]c2nc(C(F)(F)F)cc(C3CC3)c12 ZINC000036613896 569123968 /nfs/dbraw/zinc/12/39/68/569123968.db2.gz KUSZUVHPRYLDMJ-UHFFFAOYSA-N 0 1 440.376 4.116 50 0 IIAAMN COc1ccccc1C(=O)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265680 569127058 /nfs/dbraw/zinc/12/70/58/569127058.db2.gz ORQMCTQZOJRHFU-SANMLTNESA-N 0 1 441.535 4.011 50 0 biogenic IIAAMN Cc1[nH]c(SCC(=O)N[C@H](c2nccn2C)c2ccccc2)nc1Cc1ccccc1 ZINC000014044957 569157514 /nfs/dbraw/zinc/15/75/14/569157514.db2.gz UEIWVUOXUNQAHG-QFIPXVFZSA-N 0 1 431.565 4.040 50 0 IIAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000017012374 569170656 /nfs/dbraw/zinc/17/06/56/569170656.db2.gz LSBKNTYEABOCJJ-UHFFFAOYSA-N 0 1 441.579 4.405 50 0 IIAAMN COc1ccc(OC)c(CN2CCC(c3nc(C)ccc3C(=O)NCC(C)C)CC2)c1 ZINC000037554111 569200334 /nfs/dbraw/zinc/20/03/34/569200334.db2.gz RHUIJJVJJVDXBY-UHFFFAOYSA-N 0 1 425.573 4.173 50 0 IIAAMN O=C(NC([N-]c1ccc(Br)c[nH+]1)(C(F)(F)F)C(F)(F)F)c1ccco1 ZINC000019944209 569332282 /nfs/dbraw/zinc/33/22/82/569332282.db2.gz HDURNPCOIOHBIN-UHFFFAOYSA-N 0 1 432.118 4.100 50 0 IIAAMN Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)cc21 ZINC000020323430 569360332 /nfs/dbraw/zinc/36/03/32/569360332.db2.gz LCQHUZXEWDHRNV-UHFFFAOYSA-N 0 1 442.563 4.227 50 0 IIAAMN O[C@@H](CSc1ccc(Br)cc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020385306 569363036 /nfs/dbraw/zinc/36/30/36/569363036.db2.gz URQSEINTYIXSLY-GOSISDBHSA-N 0 1 441.822 4.378 50 0 IIAAMN Cc1ccccc1OCc1nnc(SCCN2C[C@H]3CC[C@@H](C2)O3)n1-c1ccccc1 ZINC000095460212 569369664 /nfs/dbraw/zinc/36/96/64/569369664.db2.gz TZASCUXHINGYIN-OYRHEFFESA-N 0 1 436.581 4.110 50 0 IIAAMN Cc1nn(-c2ccc(C(=O)N3CCC(CCCN4CCOCC4)CC3)cc2)c(C)c1Cl ZINC000096003217 569379078 /nfs/dbraw/zinc/37/90/78/569379078.db2.gz CUBQBJIWTKMQHU-UHFFFAOYSA-N 0 1 445.007 4.107 50 0 IIAAMN CCN1CCN(c2c(CN(Cc3ccoc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000096281975 569390217 /nfs/dbraw/zinc/39/02/17/569390217.db2.gz IEPHEJITWUGHRK-UHFFFAOYSA-N 0 1 439.579 4.465 50 0 IIAAMN O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000057412391 569433817 /nfs/dbraw/zinc/43/38/17/569433817.db2.gz CEXXYENDIFHZKM-UHFFFAOYSA-N 0 1 444.944 4.157 50 0 IIAAMN CC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000003376838 569448644 /nfs/dbraw/zinc/44/86/44/569448644.db2.gz GKOBKNPNWCKLRZ-UHFFFAOYSA-N 0 1 433.121 4.215 50 0 IIAAMN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032094783 569459796 /nfs/dbraw/zinc/45/97/96/569459796.db2.gz BXTZJTLAPYCSPW-LJQANCHMSA-N 0 1 436.409 4.059 50 0 IIAAMN O=C(CN(Cc1ccc(F)cc1)C1CCCCC1)Nc1ccc(N2CCOCC2)cc1 ZINC000008189324 569462442 /nfs/dbraw/zinc/46/24/42/569462442.db2.gz OVRRRFXOYINUTM-UHFFFAOYSA-N 0 1 425.548 4.436 50 0 IIAAMN Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NCCc3cnc[nH]3)c(=O)oc12 ZINC000008764536 569474612 /nfs/dbraw/zinc/47/46/12/569474612.db2.gz GPZYSNXDSSEGOJ-UHFFFAOYSA-N 0 1 441.487 4.448 50 0 biogenic IIAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)cc1 ZINC000008845353 569478798 /nfs/dbraw/zinc/47/87/98/569478798.db2.gz OPUCTGDZUQCRQM-DEOSSOPVSA-N 0 1 426.476 4.321 50 0 IIAAMN O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008893359 569483576 /nfs/dbraw/zinc/48/35/76/569483576.db2.gz UCJSIXPDEBPXDB-SFHVURJKSA-N 0 1 439.503 4.439 50 0 IIAAMN COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000245279545 569502088 /nfs/dbraw/zinc/50/20/88/569502088.db2.gz HUUSDDMAXNKQPA-ZEQKJWHPSA-N 0 1 446.547 4.130 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)COc2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000245279545 569502089 /nfs/dbraw/zinc/50/20/89/569502089.db2.gz HUUSDDMAXNKQPA-ZEQKJWHPSA-N 0 1 446.547 4.130 50 0 IIAAMN CC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000245330421 569504066 /nfs/dbraw/zinc/50/40/66/569504066.db2.gz YKDCUEZJYOAUCL-NZQKXSOJSA-N 0 1 444.641 4.469 50 0 IIAAMN CCOc1cc(C(=O)OC)cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1OCC ZINC000040478346 569506709 /nfs/dbraw/zinc/50/67/09/569506709.db2.gz AVXDVGHZSLXDTC-UHFFFAOYSA-N 0 1 427.432 4.052 50 0 IIAAMN COc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000009285144 569519153 /nfs/dbraw/zinc/51/91/53/569519153.db2.gz XIWYUJDHIUBVCV-UHFFFAOYSA-N 0 1 427.482 4.149 50 0 IIAAMN CCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@H]2CCCO2)c1 ZINC000009408943 569530789 /nfs/dbraw/zinc/53/07/89/569530789.db2.gz KPUFVFBOXMQRCF-HOYKHHGWSA-N 0 1 433.508 4.295 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC)cc1 ZINC000009562890 569547415 /nfs/dbraw/zinc/54/74/15/569547415.db2.gz PKZLEZWXYGAQKJ-UHFFFAOYSA-N 0 1 446.550 4.137 50 0 IIAAMN CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc(SC)c3)c2)on1 ZINC000009637739 569554844 /nfs/dbraw/zinc/55/48/44/569554844.db2.gz OHLLCPSZTXWPTA-UHFFFAOYSA-N 0 1 448.522 4.050 50 0 IIAAMN COc1cccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000009778887 569567335 /nfs/dbraw/zinc/56/73/35/569567335.db2.gz PZCMAOBVHVRNON-NHCUHLMSSA-N 0 1 432.863 4.101 50 0 IIAAMN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(OC(C)C)c1)N(CCN(C)C)C3=O ZINC000010233107 569579538 /nfs/dbraw/zinc/57/95/38/569579538.db2.gz HPUIRUWQRKUBIZ-QHCPKHFHSA-N 0 1 434.536 4.304 50 0 IIAAMN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(C)nc(N3CCN(C)CC3)c12 ZINC000002911924 132258563 /nfs/dbraw/zinc/25/85/63/132258563.db2.gz YMXIDYBQSMZOJC-UHFFFAOYSA-N 0 1 449.502 4.331 50 0 IIAAMN CCN1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(Cl)c3)n2)CC1 ZINC000009622628 132323814 /nfs/dbraw/zinc/32/38/14/132323814.db2.gz MKNWIAPEJKPMRX-UHFFFAOYSA-N 0 1 433.947 4.354 50 0 IIAAMN Cc1nc2scc(-c3ccccc3)c2c(NCc2ccc(N3CCN(C)CC3)nc2)n1 ZINC000014085384 132355990 /nfs/dbraw/zinc/35/59/90/132355990.db2.gz ASGTVFBMICDIST-UHFFFAOYSA-N 0 1 430.581 4.426 50 0 IIAAMN CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2cccc(OCCO)c2)CC1 ZINC000012301596 520457860 /nfs/dbraw/zinc/45/78/60/520457860.db2.gz IKPKQJPLUKGIPD-UHFFFAOYSA-N 0 1 425.569 4.226 50 0 IIAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cccn2-c2nccs2)CC1 ZINC000012612567 520464078 /nfs/dbraw/zinc/46/40/78/520464078.db2.gz JWSNASALHBYQQA-UHFFFAOYSA-N 0 1 439.581 4.330 50 0 IIAAMN CCN(CC)[C@@H](CNC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000021463542 520833080 /nfs/dbraw/zinc/83/30/80/520833080.db2.gz VEPWEKORIRYGLE-INIZCTEOSA-N 0 1 433.965 4.010 50 0 IIAAMN CCC(=O)OCCN1CCN(CCCN(C(=O)CC)c2ccc(C3CCCC3)cc2)CC1 ZINC000033405156 521232117 /nfs/dbraw/zinc/23/21/17/521232117.db2.gz NGNYKHLRMVIRRA-UHFFFAOYSA-N 0 1 443.632 4.048 50 0 IIAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)nc1 ZINC000012591788 521500035 /nfs/dbraw/zinc/50/00/35/521500035.db2.gz QGCJNFDIYLMBFH-UHFFFAOYSA-N 0 1 437.550 4.233 50 0 IIAAMN CCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020677531 521629186 /nfs/dbraw/zinc/62/91/86/521629186.db2.gz FFTWRNWUBQTAKL-UHFFFAOYSA-N 0 1 425.964 4.099 50 0 IIAAMN CCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000022804460 521629388 /nfs/dbraw/zinc/62/93/88/521629388.db2.gz WRGKCJLXPSYGSC-UHFFFAOYSA-N 0 1 433.600 4.359 50 0 IIAAMN COC(=O)c1cccc(CN(CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843580 522206391 /nfs/dbraw/zinc/20/63/91/522206391.db2.gz IIMWXAKVJLVFSN-QHCPKHFHSA-N 0 1 444.572 4.345 50 0 IIAAMN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000032957648 522272907 /nfs/dbraw/zinc/27/29/07/522272907.db2.gz MTIBWSIEZKCAGV-UHFFFAOYSA-N 0 1 437.308 4.296 50 0 IIAAMN COc1ccc(CN2CCCN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CC2)cc1 ZINC000012928907 524027169 /nfs/dbraw/zinc/02/71/69/524027169.db2.gz HLRYEOLGHYVBRD-UHFFFAOYSA-N 0 1 449.576 4.357 50 0 IIAAMN COc1ccc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1Cn1cncn1 ZINC000012706284 524028050 /nfs/dbraw/zinc/02/80/50/524028050.db2.gz WHUDRYRLXIKDNU-JOCHJYFZSA-N 0 1 448.567 4.217 50 0 IIAAMN CN(C)CCN(C(=O)c1ccc(Br)s1)c1nc2c(cccc2F)s1 ZINC000012226851 524059633 /nfs/dbraw/zinc/05/96/33/524059633.db2.gz XAWJWLGJUSPMND-UHFFFAOYSA-N 0 1 428.352 4.468 50 0 IIAAMN COc1ccccc1C(=O)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012431441 524338098 /nfs/dbraw/zinc/33/80/98/524338098.db2.gz SPSAMLJAEXKTNV-JOCHJYFZSA-N 0 1 440.559 4.368 50 0 IIAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2C)c(OC)c1 ZINC000012557150 524646410 /nfs/dbraw/zinc/64/64/10/524646410.db2.gz JDQQJBKIQJQLIP-UHFFFAOYSA-N 0 1 440.521 4.374 50 0 IIAAMN COc1ccc([C@H](CNC(=O)CSc2nc(C3CC3)n[nH]2)c2c[nH]c3ccccc32)cc1 ZINC000021737314 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50 0 IIAAMN COc1ccc(NC(=O)Cc2ccccc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000015980432 556570927 /nfs/dbraw/zinc/57/09/27/556570927.db2.gz ARVCMSNOTCLCED-UHFFFAOYSA-N 0 1 448.903 4.470 50 0 IIAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 ZINC000016156445 556585740 /nfs/dbraw/zinc/58/57/40/556585740.db2.gz CEVNGYRLZNOVGA-UHFFFAOYSA-N 0 1 446.912 4.410 50 0 IIAAMN O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)N1CCN(c2ccccc2)CC1 ZINC000016489018 556612047 /nfs/dbraw/zinc/61/20/47/556612047.db2.gz SBYHXSNFCNQDFL-UHFFFAOYSA-N 0 1 448.379 4.219 50 0 IIAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 ZINC000097940883 556810518 /nfs/dbraw/zinc/81/05/18/556810518.db2.gz XLLOFIGGDYBJJO-UHFFFAOYSA-N 0 1 442.541 4.022 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1C ZINC000033170612 556886156 /nfs/dbraw/zinc/88/61/56/556886156.db2.gz HRVJRRISBDWZIA-QXMHVHEDSA-N 0 1 441.509 4.230 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)C3(C)CCCCC3)ccc2OC)cc1 ZINC000097102855 556987053 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O=S(=O)(Nc1cccc(Br)c1)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914424 557513813 /nfs/dbraw/zinc/51/38/13/557513813.db2.gz LMULDTSTZJVBMW-UHFFFAOYSA-N 0 1 445.298 4.295 50 0 IIAAMN Cc1ccccc1S(=O)(=O)Nc1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C ZINC000045941166 557549596 /nfs/dbraw/zinc/54/95/96/557549596.db2.gz SZDCAUNRVXZTSW-UHFFFAOYSA-N 0 1 439.562 4.137 50 0 IIAAMN CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(CN(C)C)c1-c1ccccc1 ZINC000004070977 562941425 /nfs/dbraw/zinc/94/14/25/562941425.db2.gz ZABIMHRWORHDFC-UHFFFAOYSA-N 0 1 429.586 4.078 50 0 IIAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008606644 562957090 /nfs/dbraw/zinc/95/70/90/562957090.db2.gz FRMDPIVXECYXCI-DEOSSOPVSA-N 0 1 442.475 4.027 50 0 IIAAMN COc1ccc(-c2ncc([C@@H]3C[C@H]4CN(c5ccccc5)C(=O)[C@]45CCCN35)cn2)cc1 ZINC000015074857 563017566 /nfs/dbraw/zinc/01/75/66/563017566.db2.gz AJEWBFMHNKHYBH-CHZKFRDHSA-N 0 1 426.520 4.095 50 0 IIAAMN CCOC(=O)C1C(CN2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318464 568622620 /nfs/dbraw/zinc/62/26/20/568622620.db2.gz LADIFIXQDWKEHP-RUZDIDTESA-N 0 1 447.579 4.121 50 0 IIAAMN CCOC(=O)C1=C(CN2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318464 568622621 /nfs/dbraw/zinc/62/26/21/568622621.db2.gz LADIFIXQDWKEHP-RUZDIDTESA-N 0 1 447.579 4.121 50 0 IIAAMN COc1cccc(CN(C[C@H](O)COC(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000104983025 568624063 /nfs/dbraw/zinc/62/40/63/568624063.db2.gz OJLKOOAHACFCBL-JTHBVZDNSA-N 0 1 446.975 4.130 50 0 IIAAMN Cc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)cnn1-c1ccc(Br)cc1 ZINC000025332283 568652749 /nfs/dbraw/zinc/65/27/49/568652749.db2.gz AIKJJATXETUQRT-GOSISDBHSA-N 0 1 433.375 4.037 50 0 IIAAMN COCCOc1ccccc1N1CCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000083911929 568785298 /nfs/dbraw/zinc/78/52/98/568785298.db2.gz YFLLEESTPYNNDS-UHFFFAOYSA-N 0 1 433.552 4.016 50 0 IIAAMN O=c1cc(CSc2nc(-c3ccccc3F)n[nH]2)nc2sc(C3CCCCC3)nn21 ZINC000015731929 568814988 /nfs/dbraw/zinc/81/49/88/568814988.db2.gz VWPKPHQFTRVMIR-UHFFFAOYSA-N 0 1 442.545 4.415 50 0 IIAAMN COc1ccc(-c2nnnn2C(C)C)cc1S(=O)(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000001464732 568820193 /nfs/dbraw/zinc/82/01/93/568820193.db2.gz WAQIQALXYVMWIW-UHFFFAOYSA-N 0 1 449.536 4.397 50 0 IIAAMN CCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146152 568846442 /nfs/dbraw/zinc/84/64/42/568846442.db2.gz XIZQFQVXNSMRGN-UHFFFAOYSA-N 0 1 442.468 4.056 50 0 IIAAMN CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000026121322 568852451 /nfs/dbraw/zinc/85/24/51/568852451.db2.gz OPSZHMFHKMOMQK-UHFFFAOYSA-N 0 1 436.556 4.314 50 0 IIAAMN COc1ccc(Br)cc1CN(C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000241965577 568912590 /nfs/dbraw/zinc/91/25/90/568912590.db2.gz UTYSQDNUTFAYOB-UGKGYDQZSA-N 0 1 434.374 4.345 50 0 IIAAMN COc1cccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 ZINC000064557737 568931917 /nfs/dbraw/zinc/93/19/17/568931917.db2.gz DDNDRWAIZGIYFP-OAQYLSRUSA-N 0 1 435.501 4.335 50 0 IIAAMN CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064557869 568931941 /nfs/dbraw/zinc/93/19/41/568931941.db2.gz ZYERDSMHMIDWIE-NRFANRHFSA-N 0 1 435.501 4.417 50 0 IIAAMN Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801909 568961694 /nfs/dbraw/zinc/96/16/94/568961694.db2.gz YOERNDLYHPUMBM-UHFFFAOYSA-N 0 1 429.571 4.381 50 0 IIAAMN CC(C)OC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146124 568962079 /nfs/dbraw/zinc/96/20/79/568962079.db2.gz VDEXVGMLLYYPSC-YADHBBJMSA-N 0 1 434.939 4.260 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccccc3F)=NO2)c1 ZINC000169677429 568989679 /nfs/dbraw/zinc/98/96/79/568989679.db2.gz QIPZYUCOWDXPEF-UPVQGACJSA-N 0 1 448.538 4.433 50 0 IIAAMN Cc1ccc(Cc2nc(CCNS(=O)(=O)c3ccc(C4CCCCC4)cc3)n[nH]2)cc1 ZINC000064969633 569076204 /nfs/dbraw/zinc/07/62/04/569076204.db2.gz CUDDJXBINZQJPS-UHFFFAOYSA-N 0 1 438.597 4.273 50 0 IIAAMN COc1ccc(-c2nnc(-c3cc(S(=O)(=O)Nc4cccnc4)ccc3Cl)o2)cc1 ZINC000064988126 569082789 /nfs/dbraw/zinc/08/27/89/569082789.db2.gz XKAIADKDPUESMQ-UHFFFAOYSA-N 0 1 442.884 4.261 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000065115928 569107047 /nfs/dbraw/zinc/10/70/47/569107047.db2.gz FZMSIVFQKHMPBE-UHFFFAOYSA-N 0 1 449.916 4.380 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000065116177 569107218 /nfs/dbraw/zinc/10/72/18/569107218.db2.gz CKRDAJVGXZZZEU-UHFFFAOYSA-N 0 1 443.525 4.289 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2OC)c1 ZINC000065116381 569107326 /nfs/dbraw/zinc/10/73/26/569107326.db2.gz VVUJLNIUUFQHDN-UHFFFAOYSA-N 0 1 443.525 4.289 50 0 IIAAMN CCCCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nc2sc(C)c(C)c2c1=O ZINC000170605475 569143728 /nfs/dbraw/zinc/14/37/28/569143728.db2.gz MUMHQFMAYNIIGS-UHFFFAOYSA-N 0 1 436.691 4.383 50 0 IIAAMN CCOc1cc(CN2CCC(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)CC2)ccc1O ZINC000170605923 569143914 /nfs/dbraw/zinc/14/39/14/569143914.db2.gz WTDSQDRKVLKWCD-UHFFFAOYSA-N 0 1 440.588 4.014 50 0 IIAAMN COc1ccc([C@@H](NCc2ccc(OC)nc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606805 569144539 /nfs/dbraw/zinc/14/45/39/569144539.db2.gz VBUBCNLMYHSBJS-RBBKRZOGSA-N 0 1 427.545 4.329 50 0 IIAAMN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000014213450 569158180 /nfs/dbraw/zinc/15/81/80/569158180.db2.gz LIKPCUYPZUOYKD-UHFFFAOYSA-N 0 1 444.944 4.157 50 0 IIAAMN CCN(CC)[C@H](CNC(=O)CSc1nc(C)c(Cc2ccccc2)[nH]1)c1ccco1 ZINC000089967807 569169238 /nfs/dbraw/zinc/16/92/38/569169238.db2.gz MDRBZFLSTZOLCS-HXUWFJFHSA-N 0 1 426.586 4.193 50 0 IIAAMN COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)c1C2 ZINC000252497960 569288081 /nfs/dbraw/zinc/28/80/81/569288081.db2.gz QSCZWQBFAOMRMO-IBGZPJMESA-N 0 1 443.507 4.242 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=S)NC2CCCCC2)c1 ZINC000013041597 569308182 /nfs/dbraw/zinc/30/81/82/569308182.db2.gz MFXDXYGFENAWRD-UHFFFAOYSA-N 0 1 433.599 4.424 50 0 IIAAMN CN(C1CCCC1)C(C)(C)C(=O)OCC(=O)Nc1ccc(Br)cc1Cl ZINC000095466532 569370939 /nfs/dbraw/zinc/37/09/39/569370939.db2.gz AYFXSGFQEUHJHD-UHFFFAOYSA-N 0 1 431.758 4.237 50 0 IIAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1O ZINC000096115017 569382974 /nfs/dbraw/zinc/38/29/74/569382974.db2.gz LKNSDIPVTHXBNG-OAHLLOKOSA-N 0 1 446.411 4.026 50 0 biogenic IIAAMN O=c1cc2c(c3occ(-c4ccc(O)cc4)c(O)c1-3)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000096116380 569383592 /nfs/dbraw/zinc/38/35/92/569383592.db2.gz BDKMMHQEDRPGOX-OAHLLOKOSA-N 0 1 444.395 4.041 50 0 biogenic IIAAMN COc1ccc(CN2CCC(NC(=O)c3cc4c(cccc4Cl)[nH]3)CC2)cc1OC ZINC000096116583 569383807 /nfs/dbraw/zinc/38/38/07/569383807.db2.gz SXZAPBWVZHDHPN-UHFFFAOYSA-N 0 1 427.932 4.233 50 0 IIAAMN C[C@@H](NCC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 ZINC000096316530 569392708 /nfs/dbraw/zinc/39/27/08/569392708.db2.gz DYUXDNCVYRXHQB-CJFMBICVSA-N 0 1 448.588 4.225 50 0 IIAAMN CC(C)CN(CC(C)C)C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000002624119 569411550 /nfs/dbraw/zinc/41/15/50/569411550.db2.gz FTFRLOCFPANTKF-UHFFFAOYSA-N 0 1 425.396 4.467 50 0 IIAAMN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000002636884 569413204 /nfs/dbraw/zinc/41/32/04/569413204.db2.gz OLJHVEAMQHZOAK-UHFFFAOYSA-N 0 1 448.932 4.230 50 0 IIAAMN CCN1CCN(c2ccccc2NC(=O)c2cc3ccc(Br)cc3[nH]2)CC1 ZINC000029992290 569440154 /nfs/dbraw/zinc/44/01/54/569440154.db2.gz FHEZXAKZMNKUAR-UHFFFAOYSA-N 0 1 427.346 4.325 50 0 IIAAMN CCOC(=O)C1C(CN(CC)Cc2ccccc2)=NC(=O)N[C@H]1c1cccc(Cl)c1 ZINC000067205056 569464578 /nfs/dbraw/zinc/46/45/78/569464578.db2.gz GUZGBTWNSSQDFH-NRFANRHFSA-N 0 1 427.932 4.033 50 0 IIAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2[nH]nnc2Nc2ccc(Cl)cc2)CC1 ZINC000067284349 569466846 /nfs/dbraw/zinc/46/68/46/569466846.db2.gz FDKKAJLGWNDDMW-UHFFFAOYSA-N 0 1 431.327 4.126 50 0 IIAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCCC[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694585 569470106 /nfs/dbraw/zinc/47/01/06/569470106.db2.gz OSFDMLXZXFHOSK-PGRDOPGGSA-N 0 1 444.318 4.178 50 0 IIAAMN COC(=O)C1C(CSc2nc3cc(C)ccc3[nH]2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008816195 569476755 /nfs/dbraw/zinc/47/67/55/569476755.db2.gz IUXQETMQFAZCIU-HXUWFJFHSA-N 0 1 436.537 4.061 50 0 IIAAMN COC(=O)C1=C(CSc2nc3ccc(C)cc3[nH]2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008816195 569476756 /nfs/dbraw/zinc/47/67/56/569476756.db2.gz IUXQETMQFAZCIU-HXUWFJFHSA-N 0 1 436.537 4.061 50 0 IIAAMN COC(=O)C1C(CSc2nc3ccc(C)cc3[nH]2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008816195 569476757 /nfs/dbraw/zinc/47/67/57/569476757.db2.gz IUXQETMQFAZCIU-HXUWFJFHSA-N 0 1 436.537 4.061 50 0 IIAAMN COC(=O)C1C(CSc2nc3ccccc3s2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000008816410 569476772 /nfs/dbraw/zinc/47/67/72/569476772.db2.gz INOXEDVKZMHYCF-LJQANCHMSA-N 0 1 439.562 4.486 50 0 IIAAMN COC(=O)C1C(CSc2nc3ccc(C)cc3[nH]2)=NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008816198 569476777 /nfs/dbraw/zinc/47/67/77/569476777.db2.gz MUDGESLWNVOZBT-FQEVSTJZSA-N 0 1 436.537 4.061 50 0 IIAAMN COC(=O)C1=C(CSc2nc3cc(C)ccc3[nH]2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008816198 569476778 /nfs/dbraw/zinc/47/67/78/569476778.db2.gz MUDGESLWNVOZBT-FQEVSTJZSA-N 0 1 436.537 4.061 50 0 IIAAMN COC(=O)C1=C(CSc2nc3ccc(C)cc3[nH]2)NC(=O)N[C@H]1c1ccc(C)cc1C ZINC000008816198 569476779 /nfs/dbraw/zinc/47/67/79/569476779.db2.gz MUDGESLWNVOZBT-FQEVSTJZSA-N 0 1 436.537 4.061 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000008840947 569478372 /nfs/dbraw/zinc/47/83/72/569478372.db2.gz FLRWWQZNLHCARP-UHFFFAOYSA-N 0 1 430.570 4.438 50 0 IIAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058994 569484751 /nfs/dbraw/zinc/48/47/51/569484751.db2.gz YNZXIMXBCCNBHV-WMZHIEFXSA-N 0 1 444.560 4.382 50 0 IIAAMN C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)c1csc(-c2ccsc2)n1 ZINC000040092566 569487517 /nfs/dbraw/zinc/48/75/17/569487517.db2.gz IPXXKPDEIRJFHY-QGZVFWFLSA-N 0 1 426.611 4.202 50 0 IIAAMN Cc1occc1C(=O)Nc1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)ccc1F ZINC000040105590 569488297 /nfs/dbraw/zinc/48/82/97/569488297.db2.gz IULLNGMAQNPOTI-GOSISDBHSA-N 0 1 430.505 4.465 50 0 IIAAMN CN(C)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccs1 ZINC000040121658 569489558 /nfs/dbraw/zinc/48/95/58/569489558.db2.gz CZCWXVCSZTYKOU-KRWDZBQOSA-N 0 1 442.507 4.028 50 0 IIAAMN CC(=O)[C@@H]1C(=C(O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000008964528 569491306 /nfs/dbraw/zinc/49/13/06/569491306.db2.gz QJDCMTKAGGWMJW-NZCWTCFWSA-N 0 1 440.524 4.310 50 0 biogenic IIAAMN COc1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000245279927 569502046 /nfs/dbraw/zinc/50/20/46/569502046.db2.gz JXRLMHSLBVGCKH-AZGAKELHSA-N 0 1 448.538 4.433 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000245279927 569502047 /nfs/dbraw/zinc/50/20/47/569502047.db2.gz JXRLMHSLBVGCKH-AZGAKELHSA-N 0 1 448.538 4.433 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NC2CCCCC2)ccc1C ZINC000009137024 569507155 /nfs/dbraw/zinc/50/71/55/569507155.db2.gz NRXFMXFSKBSHLU-UHFFFAOYSA-N 0 1 433.599 4.424 50 0 IIAAMN CN(C)CCN(C(=O)c1ccc(Br)s1)c1nc2ccc(F)cc2s1 ZINC000009151864 569507608 /nfs/dbraw/zinc/50/76/08/569507608.db2.gz BYNVXIWQKJVNIO-UHFFFAOYSA-N 0 1 428.352 4.468 50 0 IIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CCC1 ZINC000009152538 569507804 /nfs/dbraw/zinc/50/78/04/569507804.db2.gz VRMMNZRRROHBGS-CYBMUJFWSA-N 0 1 434.945 4.227 50 0 IIAAMN COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000009344967 569524089 /nfs/dbraw/zinc/52/40/89/569524089.db2.gz PQXSOSQPYYSPCQ-QGZVFWFLSA-N 0 1 449.551 4.245 50 0 IIAAMN CCCCN(C)C(=O)[C@@H](C(=O)c1cc(Cl)ccc1Cl)n1cc(Cl)ccc1=O ZINC000009601548 569551603 /nfs/dbraw/zinc/55/16/03/569551603.db2.gz IJPFWMWYRNACAD-QGZVFWFLSA-N 0 1 429.731 4.491 50 0 IIAAMN CCCCCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)c1 ZINC000009409207 569530921 /nfs/dbraw/zinc/53/09/21/569530921.db2.gz IGHRJCNECFGURO-XMMPIXPASA-N 0 1 435.524 4.279 50 0 IIAAMN CCCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc1 ZINC000009409296 569531032 /nfs/dbraw/zinc/53/10/32/569531032.db2.gz SYCCGLVRBPBTFZ-DEOSSOPVSA-N 0 1 435.524 4.279 50 0 IIAAMN O=c1c2c[nH]nc2nc(SCc2ccccc2F)n1-c1ccc(Br)cc1 ZINC000009495583 569541027 /nfs/dbraw/zinc/54/10/27/569541027.db2.gz GMDYNPFIZUFJPS-UHFFFAOYSA-N 0 1 431.290 4.303 50 0 IIAAMN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(-c2cn3ccc(C)nc3n2)cc1 ZINC000009572181 569547699 /nfs/dbraw/zinc/54/76/99/569547699.db2.gz CJCBPPIUPFCLSU-UHFFFAOYSA-N 0 1 442.928 4.476 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)N2CCCC2)cc1 ZINC000009640817 569555492 /nfs/dbraw/zinc/55/54/92/569555492.db2.gz HTFTYUJXPOEPGS-VWLOTQADSA-N 0 1 430.552 4.325 50 0 IIAAMN COc1ccc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)cc1OC ZINC000009645303 569556071 /nfs/dbraw/zinc/55/60/71/569556071.db2.gz SJZAOTHZEJNLBN-UHFFFAOYSA-N 0 1 434.315 4.226 50 0 IIAAMN Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)n1C ZINC000009685273 569560625 /nfs/dbraw/zinc/56/06/25/569560625.db2.gz QCFCJEPYOBWCGP-UHFFFAOYSA-N 0 1 437.993 4.421 50 0 IIAAMN COc1cc(C(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc(OC)c1OC ZINC000009849717 193907429 /nfs/dbraw/zinc/90/74/29/193907429.db2.gz KPNFGZVXORFWLB-UHFFFAOYSA-N 0 1 438.568 4.197 50 0 IIAAMN O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000008857495 132296369 /nfs/dbraw/zinc/29/63/69/132296369.db2.gz IQRKWFQONWMZEP-UHFFFAOYSA-N 0 1 427.854 4.389 50 0 IIAAMN Cc1ccc(OCCCC(=O)Nc2cc(Br)ccc2N2CCN(C)CC2)cc1 ZINC000009220737 132309509 /nfs/dbraw/zinc/30/95/09/132309509.db2.gz ZOGILCUGVHRUQO-UHFFFAOYSA-N 0 1 446.389 4.307 50 0 IIAAMN C[C@@H](C(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21)N1CCC(Cc2ccccc2)CC1 ZINC000009560318 132321363 /nfs/dbraw/zinc/32/13/63/132321363.db2.gz TXACFSMJJLLCMS-SFHVURJKSA-N 0 1 446.547 4.121 50 0 IIAAMN Cc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000013058965 132343718 /nfs/dbraw/zinc/34/37/18/132343718.db2.gz SDTSWTGMTZMNNV-QGZVFWFLSA-N 0 1 435.490 4.309 50 0 IIAAMN CC(C)N(Cc1cnn(C)c1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012224739 519662575 /nfs/dbraw/zinc/66/25/75/519662575.db2.gz VZSSJGQOECMRQV-UHFFFAOYSA-N 0 1 443.551 4.471 50 0 IIAAMN CC(C)CNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000035907812 519740163 /nfs/dbraw/zinc/74/01/63/519740163.db2.gz LPXDQHXXBPITLN-FYYLOGMGSA-N 0 1 445.529 4.341 50 0 IIAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(OC)cc1)=N2 ZINC000035372487 521584580 /nfs/dbraw/zinc/58/45/80/521584580.db2.gz AYBBVQWNPIXYOE-UHFFFAOYSA-N 0 1 436.581 4.080 50 0 IIAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1)C(c1ccccc1)=N2 ZINC000035372890 521585531 /nfs/dbraw/zinc/58/55/31/521585531.db2.gz TWGRMWALGLXHAL-UHFFFAOYSA-N 0 1 436.581 4.080 50 0 IIAAMN CCN1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)n2)CC1 ZINC000021659572 521676911 /nfs/dbraw/zinc/67/69/11/521676911.db2.gz MTCNUACURYAOJE-UHFFFAOYSA-N 0 1 449.986 4.348 50 0 IIAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(F)cc2Cl)CC1 ZINC000012609883 521698709 /nfs/dbraw/zinc/69/87/09/521698709.db2.gz MLPJQVCMUQOHKN-UHFFFAOYSA-N 0 1 426.319 4.292 50 0 IIAAMN CCc1nc(-c2cc(S(=O)(=O)Nc3cccc(Br)c3)c(C)s2)no1 ZINC000035539349 522142468 /nfs/dbraw/zinc/14/24/68/522142468.db2.gz OQWAUVXWYDZZJU-UHFFFAOYSA-N 0 1 428.333 4.232 50 0 IIAAMN COc1cc(NC(=O)CC[C@@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)cc(OC)c1 ZINC000012714080 522652239 /nfs/dbraw/zinc/65/22/39/522652239.db2.gz MSRNULIQIBVDIP-KRWDZBQOSA-N 0 1 430.520 4.482 50 0 IIAAMN COc1cc(NC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000021174877 522692647 /nfs/dbraw/zinc/69/26/47/522692647.db2.gz KVNPTLWWZDZBFD-UHFFFAOYSA-N 0 1 447.963 4.400 50 0 IIAAMN CN(Cc1ccoc1)Cc1cccc(OC2CCN(C(=O)c3n[nH]c4c3CCCC4)CC2)c1 ZINC000012242629 523476072 /nfs/dbraw/zinc/47/60/72/523476072.db2.gz VXMXKKIZZRALEG-UHFFFAOYSA-N 0 1 448.567 4.197 50 0 IIAAMN COc1ccc(CN2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1Cn1cncn1 ZINC000012706291 524029561 /nfs/dbraw/zinc/02/95/61/524029561.db2.gz WHUDRYRLXIKDNU-QFIPXVFZSA-N 0 1 448.567 4.217 50 0 IIAAMN Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000012548362 524123019 /nfs/dbraw/zinc/12/30/19/524123019.db2.gz IMGDVTMJJQDSIA-HSZRJFAPSA-N 0 1 437.482 4.433 50 0 IIAAMN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nc(-c4cccnc4)n[nH]3)no2)c(C)c1 ZINC000033271048 524280726 /nfs/dbraw/zinc/28/07/26/524280726.db2.gz WDKIMBWBHXIFCJ-UHFFFAOYSA-N 0 1 449.540 4.039 50 0 IIAAMN C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC000012796064 525305354 /nfs/dbraw/zinc/30/53/54/525305354.db2.gz CWNKNHHGRJVXRD-SJCJKPOMSA-N 0 1 425.838 4.297 50 0 IIAAMN COc1ccc([C@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCCC2)cc1 ZINC000012569060 525356097 /nfs/dbraw/zinc/35/60/97/525356097.db2.gz QTOQDOVYMOJRLJ-NRFANRHFSA-N 0 1 431.374 4.344 50 0 IIAAMN C[C@H](C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)N1C(=O)COc2ccccc21 ZINC000021886299 526150276 /nfs/dbraw/zinc/15/02/76/526150276.db2.gz KHGMMWCKEGSIEC-QGZVFWFLSA-N 0 1 440.503 4.101 50 0 IIAAMN O=C(c1ccc(OC2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)cc1)N1CCCC1 ZINC000012304931 526706824 /nfs/dbraw/zinc/70/68/24/526706824.db2.gz NAPZZCPHBINDDF-UHFFFAOYSA-N 0 1 431.536 4.220 50 0 IIAAMN Cc1nc2sc([C@H](c3cccc(C)c3)N3CC[NH+](Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022627047 527207232 /nfs/dbraw/zinc/20/72/32/527207232.db2.gz SSMJMSJHTVKCSI-NRFANRHFSA-N 0 1 433.581 4.020 50 0 IIAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(Br)c1 ZINC000012605852 527245046 /nfs/dbraw/zinc/24/50/46/527245046.db2.gz XIJWVIMXEILGOD-UHFFFAOYSA-N 0 1 446.248 4.454 50 0 IIAAMN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cccn2-c2cccnc2)CC1 ZINC000012303725 527284017 /nfs/dbraw/zinc/28/40/17/527284017.db2.gz VBRQKYINTRJIOJ-UHFFFAOYSA-N 0 1 440.551 4.087 50 0 IIAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@H](C(=O)Nc2ccc(-c3cscn3)cc2)C1 ZINC000012471864 527666088 /nfs/dbraw/zinc/66/60/88/527666088.db2.gz WNDWGJZPJBORCN-INIZCTEOSA-N 0 1 429.977 4.356 50 0 IIAAMN CCCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(O)c(OC)c2)CC1 ZINC000034683267 555818795 /nfs/dbraw/zinc/81/87/95/555818795.db2.gz RPHDVCBYIBWOJP-UHFFFAOYSA-N 0 1 442.556 4.216 50 0 IIAAMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(OC)c1 ZINC000008442272 556177459 /nfs/dbraw/zinc/17/74/59/556177459.db2.gz RCUSGBLXCVEOPJ-UHFFFAOYSA-N 0 1 446.912 4.410 50 0 IIAAMN Cc1ccc(N(C[C@@H](O)CN2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000008731991 556204395 /nfs/dbraw/zinc/20/43/95/556204395.db2.gz MNXIYACIZQNNIN-DEOSSOPVSA-N 0 1 438.593 4.190 50 0 IIAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)c1 ZINC000009243118 556266672 /nfs/dbraw/zinc/26/66/72/556266672.db2.gz OYVJHGHEYHSIPF-JOCHJYFZSA-N 0 1 441.915 4.070 50 0 IIAAMN COc1cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc(OC)c1Br ZINC000032761948 556331643 /nfs/dbraw/zinc/33/16/43/556331643.db2.gz MPRRANYJGDKVTB-AWEZNQCLSA-N 0 1 439.375 4.095 50 0 IIAAMN O=C(c1cc(-c2ccccc2F)n[nH]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2 ZINC000011818982 556361038 /nfs/dbraw/zinc/36/10/38/556361038.db2.gz CRFHLIYXOJMJPC-RUZDIDTESA-N 0 1 436.506 4.483 50 0 IIAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000014142124 556377215 /nfs/dbraw/zinc/37/72/15/556377215.db2.gz ILLFFSGOCYAYSY-UHFFFAOYSA-N 0 1 425.533 4.459 50 0 IIAAMN O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000011935175 556377953 /nfs/dbraw/zinc/37/79/53/556377953.db2.gz HZKMOEMJDXRXKP-HXUWFJFHSA-N 0 1 438.894 4.363 50 0 IIAAMN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4csc(C(C)C)n4)C3)C2)c1OC ZINC000011954058 556380734 /nfs/dbraw/zinc/38/07/34/556380734.db2.gz NIBBKQKNCNGHQP-DEOSSOPVSA-N 0 1 443.613 4.412 50 0 IIAAMN COc1ccccc1[C@@H](C)NCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000014169654 556380966 /nfs/dbraw/zinc/38/09/66/556380966.db2.gz ZWUXYZYQFUKUDD-QGZVFWFLSA-N 0 1 438.549 4.412 50 0 IIAAMN CCC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238434 556400352 /nfs/dbraw/zinc/40/03/52/556400352.db2.gz JEAIKYLDUVSQGX-IFMALSPDSA-N 0 1 425.525 4.017 50 0 IIAAMN Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CCN(CC(C)C)CC3)n2)cc1 ZINC000032579180 556404789 /nfs/dbraw/zinc/40/47/89/556404789.db2.gz NIOZCDKPOCRWGJ-UHFFFAOYSA-N 0 1 434.540 4.038 50 0 IIAAMN CCOc1ccccc1OCCCC(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000014251065 556409012 /nfs/dbraw/zinc/40/90/12/556409012.db2.gz SAKJDLIAMRSUKW-UHFFFAOYSA-N 0 1 445.317 4.431 50 0 IIAAMN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000032820806 556412458 /nfs/dbraw/zinc/41/24/58/556412458.db2.gz UDSPRHRHJISQBE-SFHVURJKSA-N 0 1 435.996 4.068 50 0 IIAAMN CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)cc1 ZINC000012983443 556425636 /nfs/dbraw/zinc/42/56/36/556425636.db2.gz BVVUDVJMZCHSLQ-UHFFFAOYSA-N 0 1 431.315 4.168 50 0 IIAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)n2)cc1 ZINC000030021865 556489440 /nfs/dbraw/zinc/48/94/40/556489440.db2.gz JYTVBKSLFMTYOO-UHFFFAOYSA-N 0 1 446.536 4.274 50 0 IIAAMN O=S(=O)(NC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)c1cccc2cccnc21 ZINC000015062840 556491097 /nfs/dbraw/zinc/49/10/97/556491097.db2.gz DFEUCVZIMKQFMM-SFHVURJKSA-N 0 1 435.549 4.172 50 0 IIAAMN Cc1ccc(C(=O)N2CCC(Oc3ccc(CN(C)Cc4cnn(C)c4)cc3)CC2)s1 ZINC000015070684 556495836 /nfs/dbraw/zinc/49/58/36/556495836.db2.gz WVPQXBDZQUVLDM-UHFFFAOYSA-N 0 1 438.597 4.106 50 0 IIAAMN O=C(NC[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)c1ccc2c(c1)OCO2 ZINC000015077850 556500023 /nfs/dbraw/zinc/50/00/23/556500023.db2.gz KHRXEFUZHQGSHT-QGZVFWFLSA-N 0 1 435.549 4.181 50 0 IIAAMN COc1cc(NC(C)=O)ccc1NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000030819495 556506887 /nfs/dbraw/zinc/50/68/87/556506887.db2.gz GDZDLTBPNWPTLD-UHFFFAOYSA-N 0 1 429.520 4.314 50 0 IIAAMN CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1cc(Cl)ccc1OC)C(F)(F)F ZINC000003103144 556522626 /nfs/dbraw/zinc/52/26/26/556522626.db2.gz LCJVVUMKLOTMQE-GOSISDBHSA-N 0 1 430.810 4.012 50 0 IIAAMN COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000015723543 556545668 /nfs/dbraw/zinc/54/56/68/556545668.db2.gz NRMAIFLGTFKTIN-UHFFFAOYSA-N 0 1 429.520 4.048 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)Cc2c[nH]c3ccccc23)c1 ZINC000032999903 556653473 /nfs/dbraw/zinc/65/34/73/556653473.db2.gz USRYDFNKXGMJRV-UHFFFAOYSA-N 0 1 449.532 4.467 50 0 IIAAMN COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000137817117 556698370 /nfs/dbraw/zinc/69/83/70/556698370.db2.gz PUCZXUVHKHVZFL-RBZQAINGSA-N 0 1 444.487 4.063 50 0 IIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2nc3ccc(F)cc3[nH]2)CC1 ZINC000053523461 556726670 /nfs/dbraw/zinc/72/66/70/556726670.db2.gz GJSORYZFHJWBQO-UHFFFAOYSA-N 0 1 425.504 4.316 50 0 IIAAMN COc1ccccc1CCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055099566 556734628 /nfs/dbraw/zinc/73/46/28/556734628.db2.gz LPXGHNNOETUSMI-QHCPKHFHSA-N 0 1 442.003 4.094 50 0 IIAAMN O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055252563 556738933 /nfs/dbraw/zinc/73/89/33/556738933.db2.gz HMKFSLLMQOKBEB-QHCPKHFHSA-N 0 1 429.967 4.225 50 0 IIAAMN Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000010656876 556755607 /nfs/dbraw/zinc/75/56/07/556755607.db2.gz YEXQKYDSRPSYLK-UHFFFAOYSA-N 0 1 431.926 4.389 50 0 IIAAMN COc1cccc([C@@H](CNC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)N(C)C)c1 ZINC000058880451 556792471 /nfs/dbraw/zinc/79/24/71/556792471.db2.gz XPPNPPNISVSUMB-HXUWFJFHSA-N 0 1 447.461 4.324 50 0 IIAAMN Cc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(N2CCCC2)n1 ZINC000064799737 556827020 /nfs/dbraw/zinc/82/70/20/556827020.db2.gz LQVWCHYKQAISGM-UHFFFAOYSA-N 0 1 427.552 4.015 50 0 IIAAMN Cc1ccc(NC(=O)N2CCN(c3cc(C)nc(N4CCCCC4)n3)CC2)c(Cl)c1 ZINC000065362089 556834028 /nfs/dbraw/zinc/83/40/28/556834028.db2.gz KNIUFDATOOPDOW-UHFFFAOYSA-N 0 1 428.968 4.091 50 0 IIAAMN Cc1ccc2nc(CNC(=O)c3nc(-c4ccc(N5CCCCCC5)cc4)no3)[nH]c2c1 ZINC000033129069 556866114 /nfs/dbraw/zinc/86/61/14/556866114.db2.gz VWOATTRFTMDTEB-UHFFFAOYSA-N 0 1 430.512 4.232 50 0 IIAAMN COc1ccc(CCC2CCN([C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3=O)CC2)cc1 ZINC000019890206 556939288 /nfs/dbraw/zinc/93/92/88/556939288.db2.gz AFXBKLWMMCKJQP-HSZRJFAPSA-N 0 1 440.971 4.321 50 0 IIAAMN Cn1cc(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000020117994 556987110 /nfs/dbraw/zinc/98/71/10/556987110.db2.gz RTIOIJGBDQALHO-FQEVSTJZSA-N 0 1 433.487 4.211 50 0 IIAAMN O[C@H](COC12CC3CC(CC(C3)C1)C2)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023114566 557005639 /nfs/dbraw/zinc/00/56/39/557005639.db2.gz OYSWZDMFMLTMCJ-ZKTHROLGSA-N 0 1 438.534 4.174 50 0 IIAAMN CC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000020325959 557008069 /nfs/dbraw/zinc/00/80/69/557008069.db2.gz NDEAGCKSZUCYJZ-LYBHJNIJSA-N 0 1 445.563 4.483 50 0 IIAAMN CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1-c1nc(C(C)C)no1 ZINC000046020335 557020997 /nfs/dbraw/zinc/02/09/97/557020997.db2.gz YFBYUTCQVIVGKW-UHFFFAOYSA-N 0 1 447.513 4.077 50 0 IIAAMN COc1ccc(-n2nc(C)c3c2NC(=O)CC3=C(O)c2ccc(Br)cc2)cc1 ZINC000046057830 557029222 /nfs/dbraw/zinc/02/92/22/557029222.db2.gz LVDDCEGDYBGVCY-KRWDZBQOSA-N 0 1 440.297 4.261 50 0 IIAAMN O=S(=O)(c1ccccc1)N(C[C@H](O)CN1CCCCC1)c1cc(Cl)ccc1Cl ZINC000006078911 557099356 /nfs/dbraw/zinc/09/93/56/557099356.db2.gz WYOGSECFUCZJIY-QGZVFWFLSA-N 0 1 443.396 4.036 50 0 IIAAMN CC[C@H](NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000023629538 557101510 /nfs/dbraw/zinc/10/15/10/557101510.db2.gz WRHSXBZNTAHEEK-QFIPXVFZSA-N 0 1 429.524 4.402 50 0 IIAAMN CC1CCC(C(=O)NC2CCN(C(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)CC2)CC1 ZINC000049406803 557102205 /nfs/dbraw/zinc/10/22/05/557102205.db2.gz SRQLEONFFVUFHJ-UHFFFAOYSA-N 0 1 428.964 4.277 50 0 IIAAMN CCOc1ccccc1N1CCN(C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000023230374 557119367 /nfs/dbraw/zinc/11/93/67/557119367.db2.gz SGFQGJPJFRMTEQ-RUZDIDTESA-N 0 1 446.591 4.374 50 0 IIAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000017780337 557121549 /nfs/dbraw/zinc/12/15/49/557121549.db2.gz YCFGGOFKEXXIIW-VXNXHJTFSA-N 0 1 428.488 4.363 50 0 IIAAMN C[C@H](NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000024831540 557170656 /nfs/dbraw/zinc/17/06/56/557170656.db2.gz XEABMCAPZPLRPI-YVEFUNNKSA-N 0 1 425.838 4.297 50 0 IIAAMN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000024927345 557180451 /nfs/dbraw/zinc/18/04/51/557180451.db2.gz NPMPVHZIZHKUFW-SBUREZEXSA-N 0 1 428.492 4.083 50 0 IIAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018101277 557236710 /nfs/dbraw/zinc/23/67/10/557236710.db2.gz RJMNYYGBCXEPKN-SMIHKQSGSA-N 0 1 444.487 4.150 50 0 IIAAMN CN1CCN(c2ccc(CNC(=O)NC3(c4ccc(Cl)cc4)CCCCC3)cn2)CC1 ZINC000072271649 557263415 /nfs/dbraw/zinc/26/34/15/557263415.db2.gz FWFHBJLWQVNBCJ-UHFFFAOYSA-N 0 1 442.007 4.146 50 0 IIAAMN Cc1c2cc(Br)ccc2oc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000027662839 557269235 /nfs/dbraw/zinc/26/92/35/557269235.db2.gz OARQXKKFPWQWIE-UHFFFAOYSA-N 0 1 448.405 4.184 50 0 IIAAMN CCOCCN1CCN(C[C@H](C)C(=O)c2ccccc2NC(=O)OC(C)(C)C)C[C@@H]1CC ZINC000225847043 557784681 /nfs/dbraw/zinc/78/46/81/557784681.db2.gz SHTSUYDYNQWHCN-PMACEKPBSA-N 0 1 447.620 4.285 50 0 IIAAMN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000229982069 557834840 /nfs/dbraw/zinc/83/48/40/557834840.db2.gz ZFEWDPAJNNOVCY-BJKOFHAPSA-N 0 1 431.580 4.375 50 0 IIAAMN COCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(OC)cc1 ZINC000008594634 562953043 /nfs/dbraw/zinc/95/30/43/562953043.db2.gz VBXCXTYXAHVIIL-UHFFFAOYSA-N 0 1 441.553 4.006 50 0 IIAAMN CC(C)(C)OC[C@H](O)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984484 568623150 /nfs/dbraw/zinc/62/31/50/568623150.db2.gz YPXJQBYYVQCWND-FGZHOGPDSA-N 0 1 432.511 4.136 50 0 IIAAMN COc1cccc(CN(C[C@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104984789 568623512 /nfs/dbraw/zinc/62/35/12/568623512.db2.gz NCVGVSRNJSODEI-JTHBVZDNSA-N 0 1 444.547 4.006 50 0 IIAAMN CN(C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000048332861 568625649 /nfs/dbraw/zinc/62/56/49/568625649.db2.gz SLGXNWYNRXEQOA-UHFFFAOYSA-N 0 1 438.874 4.250 50 0 IIAAMN COc1cc2c(cc1OC)[C@H](OC(=O)Nc1ccc(C)cc1)C[C@H]2NC(=O)C(F)(F)F ZINC000001399330 568785847 /nfs/dbraw/zinc/78/58/47/568785847.db2.gz BUJVQXCEDZBTOO-HZPDHXFCSA-N 0 1 438.402 4.425 50 0 IIAAMN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000001462215 568819862 /nfs/dbraw/zinc/81/98/62/568819862.db2.gz BDVAUNJGBPNXDO-YCRREMRBSA-N 0 1 449.319 4.236 50 0 IIAAMN CCOC[C@H](O)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983630 568838764 /nfs/dbraw/zinc/83/87/64/568838764.db2.gz DILLGLRMGMRCSI-NHCUHLMSSA-N 0 1 437.367 4.386 50 0 IIAAMN COc1ccccc1-c1coc2c3c(cc(=O)c-2c1O)OC(=O)C[C@@H]3c1cccc(O)c1 ZINC000524729204 568903807 /nfs/dbraw/zinc/90/38/07/568903807.db2.gz IQGCBSHSYIAFDQ-MRXNPFEDSA-N 0 1 430.412 4.321 50 0 biogenic IIAAMN CCC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000241121802 568912101 /nfs/dbraw/zinc/91/21/01/568912101.db2.gz JEAIKYLDUVSQGX-IRLDBZIGSA-N 0 1 425.525 4.017 50 0 IIAAMN COc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064558159 568932140 /nfs/dbraw/zinc/93/21/40/568932140.db2.gz WOCSPRCYWOTTCG-NRFANRHFSA-N 0 1 435.501 4.335 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092872 568951581 /nfs/dbraw/zinc/95/15/81/568951581.db2.gz DVBCYDGDKCRHIT-CKEIUWERSA-N 0 1 442.585 4.270 50 0 IIAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2)cc1OC ZINC000036095986 568951636 /nfs/dbraw/zinc/95/16/36/568951636.db2.gz RPIRPYWJKQKOGA-QFIPXVFZSA-N 0 1 425.500 4.285 50 0 IIAAMN O[C@H](COCc1ccccc1)CN(Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000036146224 568962001 /nfs/dbraw/zinc/96/20/01/568962001.db2.gz VKGQATDSZHLVSF-BJKOFHAPSA-N 0 1 448.538 4.399 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)COC(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146332 568962148 /nfs/dbraw/zinc/96/21/48/568962148.db2.gz OJLKOOAHACFCBL-GGAORHGYSA-N 0 1 446.975 4.130 50 0 IIAAMN COc1cccc(CN(C[C@H](O)COc2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146953 568962751 /nfs/dbraw/zinc/96/27/51/568962751.db2.gz HUUSDDMAXNKQPA-OZXSUGGESA-N 0 1 446.547 4.130 50 0 IIAAMN C[C@H](NC(=O)[C@@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169678510 568989868 /nfs/dbraw/zinc/98/98/68/568989868.db2.gz DXJUHIVEXNDUNR-BBVXACFBSA-N 0 1 425.576 4.427 50 0 IIAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](C)O ZINC000036308880 568995711 /nfs/dbraw/zinc/99/57/11/568995711.db2.gz UNCAJBSARARORS-GCJKJVERSA-N 0 1 430.614 4.079 50 0 IIAAMN Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(C[C@@H](O)Cc3ccccc3)CC2)c1 ZINC000036340295 569078650 /nfs/dbraw/zinc/07/86/50/569078650.db2.gz HGNQYBXJEWPBFX-SANMLTNESA-N 0 1 444.623 4.027 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344525 569080302 /nfs/dbraw/zinc/08/03/02/569080302.db2.gz WGGJCNOBDJWSFE-AREMUKBSSA-N 0 1 432.612 4.235 50 0 IIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065021092 569088679 /nfs/dbraw/zinc/08/86/79/569088679.db2.gz YWIICTXYMRFKFD-UHFFFAOYSA-N 0 1 436.961 4.430 50 0 IIAAMN O=S(=O)(Nc1ccc(Br)cc1F)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098704 569104170 /nfs/dbraw/zinc/10/41/70/569104170.db2.gz USSNPGFAJHMEKF-UHFFFAOYSA-N 0 1 444.307 4.378 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000065115982 569106997 /nfs/dbraw/zinc/10/69/97/569106997.db2.gz LDSRKSPMOIAXLB-UHFFFAOYSA-N 0 1 449.916 4.380 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000065115926 569107051 /nfs/dbraw/zinc/10/70/51/569107051.db2.gz XVOUTICJOKTNAG-UHFFFAOYSA-N 0 1 449.916 4.380 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c1 ZINC000065116206 569107249 /nfs/dbraw/zinc/10/72/49/569107249.db2.gz OCCHIADZMNITDO-UHFFFAOYSA-N 0 1 447.488 4.119 50 0 IIAAMN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000036447031 569111253 /nfs/dbraw/zinc/11/12/53/569111253.db2.gz NJFOKFGMJMJSBQ-CVEARBPZSA-N 0 1 430.346 4.127 50 0 IIAAMN O=C(c1csc(-c2ccc(N3CCCCC3)nc2)n1)N1CCN(C2CCCCC2)CC1 ZINC000065165361 569112982 /nfs/dbraw/zinc/11/29/82/569112982.db2.gz JMZSZAJLVXDSQX-UHFFFAOYSA-N 0 1 439.629 4.286 50 0 IIAAMN COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000010059749 569152311 /nfs/dbraw/zinc/15/23/11/569152311.db2.gz YQNAVMGYJRZGCX-UHFFFAOYSA-N 0 1 444.940 4.388 50 0 IIAAMN CCc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c1 ZINC000013696358 569156694 /nfs/dbraw/zinc/15/66/94/569156694.db2.gz STUMUBCGFQKRSZ-UHFFFAOYSA-N 0 1 428.554 4.138 50 0 IIAAMN COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000089651364 569160673 /nfs/dbraw/zinc/16/06/73/569160673.db2.gz JQTKIEZZINBFTM-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN CC1(CN2CCOCC2)CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000089919464 569167725 /nfs/dbraw/zinc/16/77/25/569167725.db2.gz MYZNGWGOYPYPBB-UHFFFAOYSA-N 0 1 442.987 4.494 50 0 IIAAMN COC(=O)C[C@H](c1cc2ccccc2[nH]c1=O)c1c(O)ccc(C(=O)c2ccccc2)c1O ZINC000253623810 569284562 /nfs/dbraw/zinc/28/45/62/569284562.db2.gz MXJIXFLHOJNBQI-GOSISDBHSA-N 0 1 443.455 4.278 50 0 biogenic IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCC(=O)N[C@H]4CCCc5ccccc54)c3=O)c2c1 ZINC000020330374 569360773 /nfs/dbraw/zinc/36/07/73/569360773.db2.gz XPNKAJBXTMGDGL-SFHVURJKSA-N 0 1 448.548 4.133 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NC4CCCCCC4)c3=O)c2c1 ZINC000020330566 569360799 /nfs/dbraw/zinc/36/07/99/569360799.db2.gz IHVOIBVSEYPUEK-UHFFFAOYSA-N 0 1 428.558 4.168 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)N(C)C4CCCCC4)c3=O)c2c1 ZINC000020330641 569361019 /nfs/dbraw/zinc/36/10/19/569361019.db2.gz RRLGTGXIJOUAKD-UHFFFAOYSA-N 0 1 428.558 4.120 50 0 IIAAMN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)ccc1O ZINC000096115122 569383164 /nfs/dbraw/zinc/38/31/64/569383164.db2.gz YEGUFAVHZFFLEF-HNNXBMFYSA-N 0 1 446.411 4.026 50 0 biogenic IIAAMN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002626265 569411753 /nfs/dbraw/zinc/41/17/53/569411753.db2.gz OMVYITHFMVWLAN-UHFFFAOYSA-N 0 1 444.516 4.126 50 0 IIAAMN CCN(CC)[C@@H](CNC(=O)CCNC(=O)Nc1ccc(OC)cc1)c1ccccc1Cl ZINC000032317724 569461165 /nfs/dbraw/zinc/46/11/65/569461165.db2.gz JPHCKNSPFUQJOC-NRFANRHFSA-N 0 1 446.979 4.060 50 0 IIAAMN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000008388623 569462721 /nfs/dbraw/zinc/46/27/21/569462721.db2.gz CJJGHVZDHLKNKS-HXUWFJFHSA-N 0 1 426.948 4.362 50 0 IIAAMN COc1ccc(-c2cc3ncnc(NCc4ccc(N5CCN(C)CC5)nc4)c3s2)cc1 ZINC000008707025 569470582 /nfs/dbraw/zinc/47/05/82/569470582.db2.gz FLQUWFPHTBOYKZ-UHFFFAOYSA-N 0 1 446.580 4.126 50 0 IIAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000008746819 569473112 /nfs/dbraw/zinc/47/31/12/569473112.db2.gz YCFQYAHFVCBMOI-UHFFFAOYSA-N 0 1 448.474 4.217 50 0 IIAAMN COc1ccc(CN(C)CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OC ZINC000040025004 569482828 /nfs/dbraw/zinc/48/28/28/569482828.db2.gz CJTAULPWTVABRR-UHFFFAOYSA-N 0 1 432.520 4.395 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 ZINC000008977473 569493063 /nfs/dbraw/zinc/49/30/63/569493063.db2.gz LKRJFUJPKMSMMK-UHFFFAOYSA-N 0 1 436.533 4.003 50 0 IIAAMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000040155082 569493828 /nfs/dbraw/zinc/49/38/28/569493828.db2.gz NRSDUWPOSWFSRJ-UHFFFAOYSA-N 0 1 442.450 4.199 50 0 IIAAMN FC(F)(F)c1cccc(N2CC[NH+](C3CCN(CCOc4ccccc4)CC3)CC2)c1 ZINC000245020851 569496981 /nfs/dbraw/zinc/49/69/81/569496981.db2.gz MKEUGGVYUPLJKE-UHFFFAOYSA-N 0 1 433.518 4.371 50 0 IIAAMN Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCCc4cnc[nH]4)c(=O)oc12)CCCC3 ZINC000009060020 569499415 /nfs/dbraw/zinc/49/94/15/569499415.db2.gz CWTBUNILEZXTHY-UHFFFAOYSA-N 0 1 433.508 4.049 50 0 IIAAMN CCOC(=O)C1C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000245257674 569501587 /nfs/dbraw/zinc/50/15/87/569501587.db2.gz CFYSQFVGGMADQS-QPPBQGQZSA-N 0 1 433.552 4.046 50 0 IIAAMN CCOC(=O)C1C(CN2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000245257674 569501588 /nfs/dbraw/zinc/50/15/88/569501588.db2.gz CFYSQFVGGMADQS-QPPBQGQZSA-N 0 1 433.552 4.046 50 0 IIAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(Br)cc2C[C@H]1C ZINC000040450580 569506317 /nfs/dbraw/zinc/50/63/17/569506317.db2.gz NLJAUIHQQYBHNX-SNVBAGLBSA-N 0 1 443.750 4.201 50 0 IIAAMN CCCN1c2cc(NS(=O)(=O)c3cc(C)ccc3OCC)ccc2OCC(C)(C)C1=O ZINC000009172090 569509509 /nfs/dbraw/zinc/50/95/09/569509509.db2.gz BIOHPWQTFHDYJM-UHFFFAOYSA-N 0 1 446.569 4.356 50 0 IIAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000009203202 569511228 /nfs/dbraw/zinc/51/12/28/569511228.db2.gz RQJQAUPALCXWAO-UHFFFAOYSA-N 0 1 449.532 4.175 50 0 IIAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000009220881 569512598 /nfs/dbraw/zinc/51/25/98/569512598.db2.gz QXUBIBRXEZOTOB-LBPRGKRZSA-N 0 1 446.374 4.420 50 0 IIAAMN COc1ccc(-c2n[nH]c(NC(=O)CCCOc3ccc(Cl)c(C)c3)n2)cc1OC ZINC000009254917 569516430 /nfs/dbraw/zinc/51/64/30/569516430.db2.gz FUHZFJBYEJKCHY-UHFFFAOYSA-N 0 1 430.892 4.248 50 0 IIAAMN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000009339460 569523749 /nfs/dbraw/zinc/52/37/49/569523749.db2.gz XGGHHLQKTDBZFE-UHFFFAOYSA-N 0 1 437.230 4.394 50 0 IIAAMN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(Cl)c(Cl)c2)N(CCN(C)C)C1=O ZINC000009348178 569524405 /nfs/dbraw/zinc/52/44/05/569524405.db2.gz YBKSVOMXZOTJPU-LJQANCHMSA-N 0 1 447.318 4.215 50 0 IIAAMN COc1ccc2nc(SCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)[nH]c2c1 ZINC000009467249 569538362 /nfs/dbraw/zinc/53/83/62/569538362.db2.gz MBSKGARGKQGCFI-JOCHJYFZSA-N 0 1 441.553 4.338 50 0 IIAAMN Cc1ccccc1-n1c(=O)c2cn[nH]c2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000009495552 569541082 /nfs/dbraw/zinc/54/10/82/569541082.db2.gz JGWDOVXRZONVED-UHFFFAOYSA-N 0 1 439.928 4.110 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OC)cc1 ZINC000009507376 569542036 /nfs/dbraw/zinc/54/20/36/569542036.db2.gz ILEPPCUHQXKDTC-UHFFFAOYSA-N 0 1 446.912 4.410 50 0 IIAAMN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(ncn(CCN4CCCC4)c3=O)c21 ZINC000009531018 569545093 /nfs/dbraw/zinc/54/50/93/569545093.db2.gz QJVDTUDGSQCMFK-UHFFFAOYSA-N 0 1 425.945 4.126 50 0 IIAAMN COCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)[nH]c1-c1ccc(F)cc1 ZINC000009674163 569559149 /nfs/dbraw/zinc/55/91/49/569559149.db2.gz MLBGGTYEWLHLEL-UHFFFAOYSA-N 0 1 429.517 4.136 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 ZINC000009707421 569561514 /nfs/dbraw/zinc/56/15/14/569561514.db2.gz DUROBABMBXZJCQ-UHFFFAOYSA-N 0 1 449.532 4.120 50 0 IIAAMN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000009707407 569561518 /nfs/dbraw/zinc/56/15/18/569561518.db2.gz KGCIBHSHYBPBIY-UHFFFAOYSA-N 0 1 441.459 4.082 50 0 IIAAMN COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3ccc(SC)cc3)nc21 ZINC000009707985 569561773 /nfs/dbraw/zinc/56/17/73/569561773.db2.gz XTYPUGPPHQECBX-UHFFFAOYSA-N 0 1 431.583 4.244 50 0 IIAAMN CCOC(=O)[C@@H](C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1nc(C)cs1 ZINC000009765217 569566750 /nfs/dbraw/zinc/56/67/50/569566750.db2.gz LQVRXKDNWFLURU-FQEVSTJZSA-N 0 1 438.505 4.268 50 0 IIAAMN CCOC(=O)C(C(=O)COC(=O)c1ccccc1Nc1ccccc1)c1nc(C)cs1 ZINC000009765217 569566751 /nfs/dbraw/zinc/56/67/51/569566751.db2.gz LQVRXKDNWFLURU-FQEVSTJZSA-N 0 1 438.505 4.268 50 0 IIAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000009833283 569570350 /nfs/dbraw/zinc/57/03/50/569570350.db2.gz JVYQWVMVTZENHQ-UHFFFAOYSA-N 0 1 446.319 4.146 50 0 IIAAMN CN(C)CCN(C(=O)COc1ccccc1F)c1nc2c(cccc2C(F)(F)F)s1 ZINC000077108009 569585653 /nfs/dbraw/zinc/58/56/53/569585653.db2.gz BYRHGFKOSXALCQ-UHFFFAOYSA-N 0 1 441.450 4.428 50 0 IIAAMN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN(C)CCC ZINC000035991203 569587793 /nfs/dbraw/zinc/58/77/93/569587793.db2.gz BVKMIEHVOIXSEG-LJQANCHMSA-N 0 1 440.371 4.405 50 0 IIAAMN CN1CCN(c2ccc(NC(=O)c3ccccc3OCCOc3ccccc3)cc2)CC1 ZINC000009671456 132325027 /nfs/dbraw/zinc/32/50/27/132325027.db2.gz SINSXJJSUCRNDK-UHFFFAOYSA-N 0 1 431.536 4.149 50 0 IIAAMN O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000013570363 132350582 /nfs/dbraw/zinc/35/05/82/132350582.db2.gz NIKUGJVITFGFGE-UHFFFAOYSA-N 0 1 426.973 4.038 50 0 IIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(OCC)c2)CC1 ZINC000012507541 520458907 /nfs/dbraw/zinc/45/89/07/520458907.db2.gz GLWDHFPSJNICSX-UHFFFAOYSA-N 0 1 427.541 4.405 50 0 IIAAMN CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2CNCc2ccccc2OC)CC1 ZINC000012212770 520963815 /nfs/dbraw/zinc/96/38/15/520963815.db2.gz DZOBVJOUAGUKDY-UHFFFAOYSA-N 0 1 448.567 4.120 50 0 IIAAMN CCN1CCN(Cc2nc3cc(NC(=O)COc4ccccc4C)ccc3n2C(C)C)CC1 ZINC000020608865 521690039 /nfs/dbraw/zinc/69/00/39/521690039.db2.gz MCWPMKWZMHJFCA-UHFFFAOYSA-N 0 1 449.599 4.081 50 0 IIAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000020739705 522229353 /nfs/dbraw/zinc/22/93/53/522229353.db2.gz GVAKKDMZIAXDEK-IBGZPJMESA-N 0 1 428.851 4.168 50 0 IIAAMN CN(CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCCc2ccccc21 ZINC000022062465 522500219 /nfs/dbraw/zinc/50/02/19/522500219.db2.gz FBMFIILDYXNFBY-GOSISDBHSA-N 0 1 431.330 4.168 50 0 IIAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n[nH]2)cc1 ZINC000021017184 523092454 /nfs/dbraw/zinc/09/24/54/523092454.db2.gz WZERXONGTWPJMU-UHFFFAOYSA-N 0 1 430.430 4.067 50 0 IIAAMN CCn1c(CN[C@@H](C)c2ccccc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012682434 523195794 /nfs/dbraw/zinc/19/57/94/523195794.db2.gz WKWDIIMKCHUTEE-SFHVURJKSA-N 0 1 426.586 4.082 50 0 IIAAMN COc1ccc(-c2nc(CN3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)c(OC)c1 ZINC000012711374 523200543 /nfs/dbraw/zinc/20/05/43/523200543.db2.gz OBISNQFKJDUNJH-SFHVURJKSA-N 0 1 427.545 4.034 50 0 IIAAMN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCCCN(C)C)o2)c1 ZINC000012419271 524119428 /nfs/dbraw/zinc/11/94/28/524119428.db2.gz BXGJKSXHZDMHON-UHFFFAOYSA-N 0 1 433.961 4.500 50 0 IIAAMN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1 ZINC000012579438 524358553 /nfs/dbraw/zinc/35/85/53/524358553.db2.gz AZGNGDMYSUWLRT-UHFFFAOYSA-N 0 1 449.624 4.280 50 0 IIAAMN Cc1cccc(N2CCN(C(=O)CN3CCC(c4nc5ccccc5s4)CC3)CC2)c1 ZINC000012526798 524545033 /nfs/dbraw/zinc/54/50/33/524545033.db2.gz PKQVSAZCWLAUKL-UHFFFAOYSA-N 0 1 434.609 4.133 50 0 IIAAMN Cc1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@H+](CCc2ccccc2)CC3)c1C ZINC000020467803 524602513 /nfs/dbraw/zinc/60/25/13/524602513.db2.gz QUDAIVBMFCCTPM-UHFFFAOYSA-N 0 1 448.592 4.131 50 0 IIAAMN Cc1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@@H+](CCc2ccccc2)CC3)c1C ZINC000020467803 524602524 /nfs/dbraw/zinc/60/25/24/524602524.db2.gz QUDAIVBMFCCTPM-UHFFFAOYSA-N 0 1 448.592 4.131 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H]2C)ccc1N1CCCCC1 ZINC000012536050 524643050 /nfs/dbraw/zinc/64/30/50/524643050.db2.gz YZJUKWVZMNPALU-AEFFLSMTSA-N 0 1 443.569 4.081 50 0 IIAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000012557068 524645924 /nfs/dbraw/zinc/64/59/24/524645924.db2.gz IYPSMGBARXVBST-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1C(=O)N1CCCCC1 ZINC000020989782 525414016 /nfs/dbraw/zinc/41/40/16/525414016.db2.gz DSZZYZFNLJWAQS-UHFFFAOYSA-N 0 1 429.464 4.077 50 0 IIAAMN COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CC[NH+](Cc4cccc5ccccc54)CC3)c2c1 ZINC000020738596 525494264 /nfs/dbraw/zinc/49/42/64/525494264.db2.gz FOQSFQXQVVFSFM-VWLOTQADSA-N 0 1 429.520 4.273 50 0 IIAAMN COc1ccc2c(c1OC)C(=O)O[C@H]2N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020718596 525614397 /nfs/dbraw/zinc/61/43/97/525614397.db2.gz LTPODTGEPHHWDI-AREMUKBSSA-N 0 1 444.531 4.280 50 0 IIAAMN O=C(CCC(F)(F)F)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012225600 526390863 /nfs/dbraw/zinc/39/08/63/526390863.db2.gz QLUVYDFPVMFDEF-IBGZPJMESA-N 0 1 430.486 4.388 50 0 IIAAMN O=C(CCC(F)(F)F)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012225611 526391629 /nfs/dbraw/zinc/39/16/29/526391629.db2.gz QLUVYDFPVMFDEF-LJQANCHMSA-N 0 1 430.486 4.388 50 0 IIAAMN O=C(c1ccnc(Cl)c1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012440145 526844486 /nfs/dbraw/zinc/84/44/86/526844486.db2.gz WGOYJZFSXXCXJY-OAQYLSRUSA-N 0 1 445.966 4.408 50 0 IIAAMN O=C(c1ccnc(Cl)c1)N(C[C@@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012440142 526844724 /nfs/dbraw/zinc/84/47/24/526844724.db2.gz WGOYJZFSXXCXJY-NRFANRHFSA-N 0 1 445.966 4.408 50 0 IIAAMN O=C1NC(=O)[C@](CCCc2ccccc2)(C2CCN(Cc3ccccc3Cl)CC2)N1 ZINC000012130470 527055723 /nfs/dbraw/zinc/05/57/23/527055723.db2.gz NSVVVMICNJGTJN-DEOSSOPVSA-N 0 1 425.960 4.153 50 0 IIAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000021018279 527608912 /nfs/dbraw/zinc/60/89/12/527608912.db2.gz LQIABORTUPIPFY-UHFFFAOYSA-N 0 1 434.971 4.471 50 0 IIAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)n1 ZINC000000682220 555538040 /nfs/dbraw/zinc/53/80/40/555538040.db2.gz YIFIPLFJRRCZMS-UHFFFAOYSA-N 0 1 446.532 4.229 50 0 IIAAMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000001140043 555649431 /nfs/dbraw/zinc/64/94/31/555649431.db2.gz IKGRQVJPQOCQOV-MKMNVTDBSA-N 0 1 427.671 4.415 50 0 IIAAMN COc1ccccc1CCNC(=O)c1ccc(CN2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000034682361 555816416 /nfs/dbraw/zinc/81/64/16/555816416.db2.gz IVBWUYMEHMUTFX-UHFFFAOYSA-N 0 1 443.591 4.298 50 0 IIAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C(c1ccccc1)c1ccccc1 ZINC000002773573 555816797 /nfs/dbraw/zinc/81/67/97/555816797.db2.gz VNSHAEAQBWQFGC-UHFFFAOYSA-N 0 1 444.516 4.048 50 0 IIAAMN COc1ccc(N(C(=O)CC(C)C)C2CCN(Cc3ccc(O)c(OC)c3)CC2)cc1 ZINC000034683215 555818397 /nfs/dbraw/zinc/81/83/97/555818397.db2.gz IGZQNYBCSKWLCI-UHFFFAOYSA-N 0 1 426.557 4.453 50 0 IIAAMN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000034683443 555818776 /nfs/dbraw/zinc/81/87/76/555818776.db2.gz SWCIQDDHIOGOHF-UHFFFAOYSA-N 0 1 431.536 4.410 50 0 IIAAMN Cc1cc(Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)n2ncnc2n1 ZINC000032784305 556349678 /nfs/dbraw/zinc/34/96/78/556349678.db2.gz MCJXBKDJCJSTFL-UHFFFAOYSA-N 0 1 449.323 4.284 50 0 IIAAMN CCn1cc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c(C)n1 ZINC000011814077 556357617 /nfs/dbraw/zinc/35/76/17/556357617.db2.gz NIGFOKNTGDNHGU-UHFFFAOYSA-N 0 1 434.588 4.206 50 0 IIAAMN CC(C)n1cc(C(=O)N(C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)cn1 ZINC000011814672 556357926 /nfs/dbraw/zinc/35/79/26/556357926.db2.gz YVGBYHVRIHXHGI-HSZRJFAPSA-N 0 1 442.579 4.137 50 0 IIAAMN CCn1c(CN2CCC[C@H](C(=O)Nc3ccc(-n4ccnc4C)cc3)C2)nc2ccccc21 ZINC000011819402 556361419 /nfs/dbraw/zinc/36/14/19/556361419.db2.gz HCFJMAKPFKTSKE-FQEVSTJZSA-N 0 1 442.567 4.401 50 0 IIAAMN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)c(C)cc3O)n[nH]1)CCCC2 ZINC000011914588 556376217 /nfs/dbraw/zinc/37/62/17/556376217.db2.gz RDUSHXGFUMSTAS-UHFFFAOYSA-N 0 1 438.553 4.341 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)N2CCCCC2)cc1 ZINC000014183863 556383816 /nfs/dbraw/zinc/38/38/16/556383816.db2.gz WNTUHFMACLZGPD-NRFANRHFSA-N 0 1 439.581 4.087 50 0 IIAAMN COc1cc(CN2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)ccc1O ZINC000012074113 556396731 /nfs/dbraw/zinc/39/67/31/556396731.db2.gz BJILSHXDJVRCMC-UHFFFAOYSA-N 0 1 439.491 4.218 50 0 IIAAMN Cc1nc(CNC(=O)CCN2Cc3ccccc3O[C@H](c3ccccc3F)C2)cs1 ZINC000014879088 556452355 /nfs/dbraw/zinc/45/23/55/556452355.db2.gz WVWJFNLOYFCZJB-QFIPXVFZSA-N 0 1 425.529 4.233 50 0 IIAAMN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCc2ccccc21 ZINC000029486134 556476439 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ZINC000252630539 568926298 /nfs/dbraw/zinc/92/62/98/568926298.db2.gz VBVPQGPZGLEJNH-UHFFFAOYSA-N 0 1 436.451 4.099 50 0 IIAAMN COc1ccc(CN(Cc2ccc(F)cc2)C[C@H](O)COCc2ccco2)cc1OC ZINC000036095997 568951664 /nfs/dbraw/zinc/95/16/64/568951664.db2.gz RMRCHRUAQZHTSP-NRFANRHFSA-N 0 1 429.488 4.016 50 0 IIAAMN CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677191 568989439 /nfs/dbraw/zinc/98/94/39/568989439.db2.gz UAIBOGHGWSUOOW-IRLDBZIGSA-N 0 1 449.492 4.232 50 0 IIAAMN O=C(NCCc1ccccc1)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677784 568989633 /nfs/dbraw/zinc/98/96/33/568989633.db2.gz SMPKGLFKYJDAAJ-BDYUSTAISA-N 0 1 443.566 4.048 50 0 IIAAMN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COC(C)C)C2)cc1 ZINC000169679448 568991096 /nfs/dbraw/zinc/99/10/96/568991096.db2.gz UIFVZWRJBBORRM-FYYLOGMGSA-N 0 1 446.975 4.130 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC ZINC000036304203 568994460 /nfs/dbraw/zinc/99/44/60/568994460.db2.gz KYEVRLVBVFJQAJ-FQEVSTJZSA-N 0 1 445.510 4.471 50 0 IIAAMN COC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCCCC1)Cc1ccccc1 ZINC000036313002 568998145 /nfs/dbraw/zinc/99/81/45/568998145.db2.gz OZVMLMBJPKQGPJ-HSZRJFAPSA-N 0 1 435.568 4.341 50 0 IIAAMN COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036343426 569080360 /nfs/dbraw/zinc/08/03/60/569080360.db2.gz BYBGQRBHVBOVKH-DEOSSOPVSA-N 0 1 435.568 4.422 50 0 IIAAMN COC(=O)c1ccc(COc2coc(CN3CCC(Cc4ccccc4)CC3)cc2=O)o1 ZINC000036365342 569086790 /nfs/dbraw/zinc/08/67/90/569086790.db2.gz SBOSCIGCOAPNSU-UHFFFAOYSA-N 0 1 437.492 4.053 50 0 IIAAMN COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000065115985 569107007 /nfs/dbraw/zinc/10/70/07/569107007.db2.gz SPSMZLFYTNHUMT-UHFFFAOYSA-N 0 1 429.498 4.035 50 0 IIAAMN COc1ccccc1N(C1CCN(C)CC1)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000170617406 569147284 /nfs/dbraw/zinc/14/72/84/569147284.db2.gz XFQJVKOXXIHBIT-UHFFFAOYSA-N 0 1 442.503 4.312 50 0 IIAAMN O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170626253 569148598 /nfs/dbraw/zinc/14/85/98/569148598.db2.gz AFUJLZLMDFSVCU-UHFFFAOYSA-N 0 1 437.253 4.125 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 ZINC000017010239 569170147 /nfs/dbraw/zinc/17/01/47/569170147.db2.gz NRMBLNSUKKPNMI-UHFFFAOYSA-N 0 1 440.521 4.299 50 0 IIAAMN CCNC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000037441674 569196793 /nfs/dbraw/zinc/19/67/93/569196793.db2.gz SMVNJTZLINTDOY-HXUWFJFHSA-N 0 1 448.489 4.496 50 0 IIAAMN CCOC(=O)[C@](NC(=O)c1ccc(OC)cc1)(Nc1ccccc1Cl)C(F)(F)F ZINC000002275425 569217862 /nfs/dbraw/zinc/21/78/62/569217862.db2.gz NKIRUZDAVCPLQT-GOSISDBHSA-N 0 1 430.810 4.012 50 0 IIAAMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC000328591586 569317101 /nfs/dbraw/zinc/31/71/01/569317101.db2.gz ZLKGPEYBIRIWEP-AWEZNQCLSA-N 0 1 437.935 4.122 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)Nc4ccc(F)cc4)c3=O)c2c1 ZINC000020331269 569360981 /nfs/dbraw/zinc/36/09/81/569360981.db2.gz VBZWPMLRQTUJOL-UHFFFAOYSA-N 0 1 440.500 4.497 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)N4C[C@H](C)C[C@@H](C)C4)c3=O)c2c1 ZINC000020331613 569360996 /nfs/dbraw/zinc/36/09/96/569360996.db2.gz STWUSXGWZZIMSJ-HUUCEWRRSA-N 0 1 442.585 4.224 50 0 IIAAMN Cn1c2cc(NS(=O)(=O)c3ccccc3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049232 569406682 /nfs/dbraw/zinc/40/66/82/569406682.db2.gz ALIMVINVULNACS-UHFFFAOYSA-N 0 1 431.583 4.103 50 0 IIAAMN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1C ZINC000002645830 569414097 /nfs/dbraw/zinc/41/40/97/569414097.db2.gz DJRNUBTYGCMECZ-UHFFFAOYSA-N 0 1 448.932 4.230 50 0 IIAAMN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000230156846 569439646 /nfs/dbraw/zinc/43/96/46/569439646.db2.gz OAFCMBTWSKINQK-XCZPVHLTSA-N 0 1 436.559 4.343 50 0 biogenic IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(Cl)cc2)c1 ZINC000003215542 569441827 /nfs/dbraw/zinc/44/18/27/569441827.db2.gz WWJAPMFIFDBYIL-UHFFFAOYSA-N 0 1 444.940 4.388 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)C(C)(C)C)nc2c1 ZINC000003228621 569442270 /nfs/dbraw/zinc/44/22/70/569442270.db2.gz MRGFIKUUWMVJLM-UHFFFAOYSA-N 0 1 434.539 4.345 50 0 IIAAMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)cc1C ZINC000057997128 569444356 /nfs/dbraw/zinc/44/43/56/569444356.db2.gz BPXQWDFFCMMNMR-HXUWFJFHSA-N 0 1 443.613 4.099 50 0 IIAAMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2)cc1C ZINC000057997128 569444357 /nfs/dbraw/zinc/44/43/57/569444357.db2.gz BPXQWDFFCMMNMR-HXUWFJFHSA-N 0 1 443.613 4.099 50 0 IIAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc(Cl)cc1Cl ZINC000031817214 569458026 /nfs/dbraw/zinc/45/80/26/569458026.db2.gz MNTHEHYHSYYMKN-CQSZACIVSA-N 0 1 436.686 4.427 50 0 IIAAMN Cc1ccc2[nH]cc([C@H](C(=O)[O-])[N@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000032093364 569459710 /nfs/dbraw/zinc/45/97/10/569459710.db2.gz LGOHZKLDEZMZMC-HXUWFJFHSA-N 0 1 432.446 4.228 50 0 IIAAMN CCN(CC)[C@H](CNC(=O)CCNC(=O)Nc1ccc(OC)cc1)c1ccccc1Cl ZINC000032317726 569461193 /nfs/dbraw/zinc/46/11/93/569461193.db2.gz JPHCKNSPFUQJOC-OAQYLSRUSA-N 0 1 446.979 4.060 50 0 IIAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)c2[nH]nnc2Nc2cccc(Cl)c2)CC1 ZINC000067284703 569466830 /nfs/dbraw/zinc/46/68/30/569466830.db2.gz ZQXREPVUAUONLP-UHFFFAOYSA-N 0 1 431.327 4.126 50 0 IIAAMN CCOC(=O)c1ccccc1NC(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000008824072 569477157 /nfs/dbraw/zinc/47/71/57/569477157.db2.gz HXOKSCNYPGCRKV-UHFFFAOYSA-N 0 1 446.916 4.041 50 0 IIAAMN CN(C)CCCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000008844638 569478652 /nfs/dbraw/zinc/47/86/52/569478652.db2.gz KJXGXDPEDVNGQD-UHFFFAOYSA-N 0 1 437.924 4.331 50 0 IIAAMN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(C)cc(C)c3O)n[nH]1)CCCC2 ZINC000008845578 569478815 /nfs/dbraw/zinc/47/88/15/569478815.db2.gz JZFQBHNVTALHBM-UHFFFAOYSA-N 0 1 425.510 4.378 50 0 IIAAMN O=C(NC[C@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008894059 569483643 /nfs/dbraw/zinc/48/36/43/569483643.db2.gz CJOXCHFYERPTEF-GOSISDBHSA-N 0 1 439.503 4.439 50 0 IIAAMN COc1cccc(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000245280336 569501993 /nfs/dbraw/zinc/50/19/93/569501993.db2.gz NCVGVSRNJSODEI-FYYLOGMGSA-N 0 1 444.547 4.006 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000245280336 569501994 /nfs/dbraw/zinc/50/19/94/569501994.db2.gz NCVGVSRNJSODEI-FYYLOGMGSA-N 0 1 444.547 4.006 50 0 IIAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1CCO ZINC000009124653 569504374 /nfs/dbraw/zinc/50/43/74/569504374.db2.gz XORCUXPFDRQOOR-XMMPIXPASA-N 0 1 427.460 4.112 50 0 IIAAMN Cc1nnc(SCC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)[nH]1 ZINC000009336144 569523389 /nfs/dbraw/zinc/52/33/89/569523389.db2.gz AGZDEVOYUBTLDD-UHFFFAOYSA-N 0 1 430.537 4.185 50 0 IIAAMN Cc1n[nH]c(SCC(=O)Nc2cc(-c3ccc4c(c3)CCC4)nn2-c2ccccc2)n1 ZINC000009336144 569523390 /nfs/dbraw/zinc/52/33/90/569523390.db2.gz AGZDEVOYUBTLDD-UHFFFAOYSA-N 0 1 430.537 4.185 50 0 IIAAMN Nn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000009541965 569545928 /nfs/dbraw/zinc/54/59/28/569545928.db2.gz JNNXLMUKFVVBQH-UHFFFAOYSA-N 0 1 426.505 4.177 50 0 IIAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccnn1C1CCCC1 ZINC000009608279 569552056 /nfs/dbraw/zinc/55/20/56/569552056.db2.gz RXCZWYSRWQMEIY-UHFFFAOYSA-N 0 1 447.362 4.277 50 0 IIAAMN COc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000009674090 569559081 /nfs/dbraw/zinc/55/90/81/569559081.db2.gz JXSCAWXJVOGXMO-FQEVSTJZSA-N 0 1 437.565 4.448 50 0 IIAAMN Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000009707414 569561510 /nfs/dbraw/zinc/56/15/10/569561510.db2.gz XOWVQACFRFZHLB-UHFFFAOYSA-N 0 1 425.897 4.148 50 0 IIAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000009778861 569567363 /nfs/dbraw/zinc/56/73/63/569567363.db2.gz XOOVAOQPWYJJAA-FCHUYYIVSA-N 0 1 446.890 4.410 50 0 IIAAMN O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000009984027 569576633 /nfs/dbraw/zinc/57/66/33/569576633.db2.gz ZKKLBAVTHKLYAG-UHFFFAOYSA-N 0 1 448.504 4.109 50 0 IIAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc12 ZINC000004907893 132274567 /nfs/dbraw/zinc/27/45/67/132274567.db2.gz WUHRWVTZXWAERM-PLMTUMEDSA-N 0 1 425.646 4.406 50 0 IIAAMN CN1CCN(c2ccc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)cc2)CC1 ZINC000009089953 132302606 /nfs/dbraw/zinc/30/26/06/132302606.db2.gz MKGVJJMKKMCXDG-UHFFFAOYSA-N 0 1 439.515 4.464 50 0 IIAAMN CC(C)c1ccccc1OCC(=O)Nc1cc(Br)ccc1N1CCN(C)CC1 ZINC000009366709 132314487 /nfs/dbraw/zinc/31/44/87/132314487.db2.gz LXTRKRPQLLFTQI-UHFFFAOYSA-N 0 1 446.389 4.342 50 0 IIAAMN CC(=O)c1cccc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)c1 ZINC000012475164 518422527 /nfs/dbraw/zinc/42/25/27/518422527.db2.gz ZXCUIGYLYGVHCJ-UHFFFAOYSA-N 0 1 446.551 4.330 50 0 IIAAMN CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035908038 519714742 /nfs/dbraw/zinc/71/47/42/519714742.db2.gz UAIBOGHGWSUOOW-IFMALSPDSA-N 0 1 449.492 4.232 50 0 IIAAMN CC(C)c1ccc(CNCc2cc(NC(=O)c3ccccn3)cc(C(=O)N(C)C)c2)cc1 ZINC000012450341 519836236 /nfs/dbraw/zinc/83/62/36/519836236.db2.gz VDRWRJIFHMPWNP-UHFFFAOYSA-N 0 1 430.552 4.449 50 0 IIAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(OC)cc4)c3NC(C)(C)C)s2)CC1 ZINC000021703101 519861074 /nfs/dbraw/zinc/86/10/74/519861074.db2.gz GUOIKPJXYPZWIT-UHFFFAOYSA-N 0 1 428.606 4.209 50 0 IIAAMN CC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020677590 519921136 /nfs/dbraw/zinc/92/11/36/519921136.db2.gz YEYYEZRRYXQJHR-UHFFFAOYSA-N 0 1 425.964 4.270 50 0 IIAAMN CCCOc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)nc(C)n1 ZINC000012226430 520314392 /nfs/dbraw/zinc/31/43/92/520314392.db2.gz OKYOGVVMASLOAS-UHFFFAOYSA-N 0 1 434.468 4.396 50 0 IIAAMN CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000012605798 520339821 /nfs/dbraw/zinc/33/98/21/520339821.db2.gz VEKUUDCNYUEFGT-UHFFFAOYSA-N 0 1 428.432 4.180 50 0 IIAAMN CCOc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccccc2)cc1 ZINC000035372963 521064769 /nfs/dbraw/zinc/06/47/69/521064769.db2.gz JNXITZSLCKPBMQ-UHFFFAOYSA-N 0 1 436.581 4.080 50 0 IIAAMN CCC(=O)c1ccc(OC[C@H](O)CN2CCN(Cc3csc4ccccc34)CC2)cc1 ZINC000022018940 521250501 /nfs/dbraw/zinc/25/05/01/521250501.db2.gz FMHHRSQWNMCGIG-OAQYLSRUSA-N 0 1 438.593 4.052 50 0 IIAAMN CCOc1cccc(CN2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1 ZINC000012475581 521337719 /nfs/dbraw/zinc/33/77/19/521337719.db2.gz NOXKLSXKZVNLBF-UHFFFAOYSA-N 0 1 438.568 4.373 50 0 IIAAMN CCCc1cc(=O)oc2c(C)c(O)c(-c3ccc4c(=O)n(-c5ccccc5)nc-4[nH]3)cc12 ZINC000011866516 521349182 /nfs/dbraw/zinc/34/91/82/521349182.db2.gz DXMGMCSXSFYWJQ-UHFFFAOYSA-N 0 1 427.460 4.454 50 0 IIAAMN CCC(CC)c1nn2c(nc(CSc3nc(-c4ccccc4F)n[nH]3)cc2=O)s1 ZINC000020582764 521634527 /nfs/dbraw/zinc/63/45/27/521634527.db2.gz LFRZTNIOCCIFJE-UHFFFAOYSA-N 0 1 430.534 4.271 50 0 IIAAMN CCN1CCN(Cc2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2C)CC1 ZINC000022822189 521689561 /nfs/dbraw/zinc/68/95/61/521689561.db2.gz BYJWELRDPUTIHN-UHFFFAOYSA-N 0 1 433.600 4.261 50 0 IIAAMN CC[C@H](NC(=O)c1cn(Cc2ccccc2C(F)(F)F)nn1)c1nc2ccc(C)cc2[nH]1 ZINC000012433958 522548562 /nfs/dbraw/zinc/54/85/62/522548562.db2.gz MIAQDLDTHWYHGA-INIZCTEOSA-N 0 1 442.445 4.411 50 0 IIAAMN COc1ccc(-c2csc(NC(=O)CSc3nc(CCSC)c(C)[nH]3)n2)cc1 ZINC000012372050 523168073 /nfs/dbraw/zinc/16/80/73/523168073.db2.gz AUBURKDXYKXGFN-UHFFFAOYSA-N 0 1 434.612 4.487 50 0 IIAAMN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012326048 523220357 /nfs/dbraw/zinc/22/03/57/523220357.db2.gz KPIQYQXKBIHFIB-QGZVFWFLSA-N 0 1 434.367 4.303 50 0 IIAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC000012523092 523925787 /nfs/dbraw/zinc/92/57/87/523925787.db2.gz QMMDCUVQJZZSNM-UHFFFAOYSA-N 0 1 442.922 4.457 50 0 IIAAMN CCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@@H+]([C@@H](C)c2ccccc2)CC3)cc1 ZINC000020467797 523974153 /nfs/dbraw/zinc/97/41/53/523974153.db2.gz SXRMZFHVKYFOMZ-KRWDZBQOSA-N 0 1 448.592 4.182 50 0 IIAAMN CCc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)C[N@H+]([C@@H](C)c2ccccc2)CC3)cc1 ZINC000020467797 523974159 /nfs/dbraw/zinc/97/41/59/523974159.db2.gz SXRMZFHVKYFOMZ-KRWDZBQOSA-N 0 1 448.592 4.182 50 0 IIAAMN CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ncccc3C)ccc2OC)cc1 ZINC000012521033 523996427 /nfs/dbraw/zinc/99/64/27/523996427.db2.gz XEGOGVNEHSOMCJ-UHFFFAOYSA-N 0 1 425.510 4.014 50 0 IIAAMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000012816185 524662575 /nfs/dbraw/zinc/66/25/75/524662575.db2.gz ZJTGJRKAHWYGHB-UHFFFAOYSA-N 0 1 434.473 4.155 50 0 IIAAMN Cc1cc(NC(=O)c2ccc(CN3CCN(C[C@@H]4CCCO4)CC3)cc2)ccc1Cl ZINC000022799435 525245810 /nfs/dbraw/zinc/24/58/10/525245810.db2.gz QRUKBPWZZZYIFV-QFIPXVFZSA-N 0 1 427.976 4.197 50 0 IIAAMN Cc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc3nccnc32)cc1C ZINC000022735931 525327181 /nfs/dbraw/zinc/32/71/81/525327181.db2.gz AKCCARWDBZMUAP-UHFFFAOYSA-N 0 1 425.540 4.102 50 0 IIAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(C)n1C 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IIAAMN Cc1cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc(N2CCCCC2)n1 ZINC000065365641 556836264 /nfs/dbraw/zinc/83/62/64/556836264.db2.gz PNDIJUGOCAUZMN-UHFFFAOYSA-N 0 1 430.556 4.283 50 0 IIAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3c(F)cccc3Cl)cc2)n1 ZINC000019645366 556839885 /nfs/dbraw/zinc/83/98/85/556839885.db2.gz HXILRNPMHVNGOS-MDZDMXLPSA-N 0 1 446.891 4.030 50 0 IIAAMN CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000067622668 556845038 /nfs/dbraw/zinc/84/50/38/556845038.db2.gz YQQAYQCJOKOFCM-UHFFFAOYSA-N 0 1 430.961 4.322 50 0 IIAAMN Cc1ccccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(C(=O)[O-])c1 ZINC000033078823 556854020 /nfs/dbraw/zinc/85/40/20/556854020.db2.gz YVBOEYFXKRATER-UHFFFAOYSA-N 0 1 447.510 4.407 50 0 IIAAMN CCCN1CCN(C(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccc(C)cc32)CC1 ZINC000033106362 556858952 /nfs/dbraw/zinc/85/89/52/556858952.db2.gz PBXXNRHZDCJNOK-UHFFFAOYSA-N 0 1 430.552 4.336 50 0 IIAAMN O[C@H](Cn1ccc2ccccc21)CN1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000019834446 556927576 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557145911 /nfs/dbraw/zinc/14/59/11/557145911.db2.gz PUWDVRTXLVCXEQ-UHFFFAOYSA-N 0 1 443.613 4.143 50 0 IIAAMN CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000000790957 557194203 /nfs/dbraw/zinc/19/42/03/557194203.db2.gz CKNHMUUCKMEWHB-UHFFFAOYSA-N 0 1 425.510 4.023 50 0 IIAAMN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025146263 557196826 /nfs/dbraw/zinc/19/68/26/557196826.db2.gz LXZOOERVIODCFM-FYYLOGMGSA-N 0 1 428.517 4.272 50 0 IIAAMN Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])C(C(=O)c1ccccc1)=NN2c1ccccc1 ZINC000100892239 557198567 /nfs/dbraw/zinc/19/85/67/557198567.db2.gz SDQDUDLLPQLWKJ-IRLDBZIGSA-N 0 1 443.890 4.266 50 0 IIAAMN COc1cccc([C@@H](CNC(=O)c2ccc(OCc3ccccc3)c(OC)c2)N(C)C)c1 ZINC000018016962 557214227 /nfs/dbraw/zinc/21/42/27/557214227.db2.gz JXNQTZGEVKBIDV-HSZRJFAPSA-N 0 1 434.536 4.316 50 0 IIAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCOC(C)C)c1 ZINC000027749172 557273116 /nfs/dbraw/zinc/27/31/16/557273116.db2.gz 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CCOc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2cccnc2)ccc1O ZINC000008606643 562957111 /nfs/dbraw/zinc/95/71/11/562957111.db2.gz FRMDPIVXECYXCI-XMMPIXPASA-N 0 1 442.475 4.027 50 0 IIAAMN Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)n1C ZINC000008608162 562957441 /nfs/dbraw/zinc/95/74/41/562957441.db2.gz ULOQTQVRNCIGPR-UHFFFAOYSA-N 0 1 437.993 4.277 50 0 IIAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NC4CCC(C)CC4)c3=O)c2c1 ZINC000015936989 563019141 /nfs/dbraw/zinc/01/91/41/563019141.db2.gz OGMDUKPHWLUUOH-UHFFFAOYSA-N 0 1 428.558 4.024 50 0 IIAAMN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2nc(-c3ccccc3)n[nH]2)n1 ZINC000015962408 563020535 /nfs/dbraw/zinc/02/05/35/563020535.db2.gz XURYBRJRUKYXKT-AREMUKBSSA-N 0 1 448.530 4.373 50 0 IIAAMN Cc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COC(C)C)C2)cc1 ZINC000104985085 568623613 /nfs/dbraw/zinc/62/36/13/568623613.db2.gz QVHFCVVXVMGGMB-DHIUTWEWSA-N 0 1 430.976 4.430 50 0 IIAAMN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCCCN(C)C)cc1 ZINC000003274991 568744800 /nfs/dbraw/zinc/74/48/00/568744800.db2.gz MERLTOQFSCISTG-UHFFFAOYSA-N 0 1 433.961 4.500 50 0 IIAAMN Cc1nn(C)c(C)c1[C@@H](C)N(C)Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O ZINC000299778588 568756999 /nfs/dbraw/zinc/75/69/99/568756999.db2.gz QNBFCKGEDVOHHG-QGZVFWFLSA-N 0 1 433.531 4.127 50 0 IIAAMN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000015773681 568823123 /nfs/dbraw/zinc/82/31/23/568823123.db2.gz LFPZLMUOQLKHJJ-HSZRJFAPSA-N 0 1 439.987 4.036 50 0 IIAAMN CCOc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n[nH]3)s2)cc1 ZINC000085664812 568833927 /nfs/dbraw/zinc/83/39/27/568833927.db2.gz GUEMSHLQVHOYEN-UHFFFAOYSA-N 0 1 431.461 4.381 50 0 IIAAMN O=C1C(O)=C(S(=O)(=O)c2ccccc2)[C@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000064557767 568931894 /nfs/dbraw/zinc/93/18/94/568931894.db2.gz WCAKNGYCDJXEOE-IBGZPJMESA-N 0 1 441.892 4.377 50 0 IIAAMN CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064557868 568932004 /nfs/dbraw/zinc/93/20/04/568932004.db2.gz 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Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](C)O)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340279 569078640 /nfs/dbraw/zinc/07/86/40/569078640.db2.gz MQYYNTZXTBRQIQ-SFHVURJKSA-N 0 1 436.987 4.199 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344542 569080241 /nfs/dbraw/zinc/08/02/41/569080241.db2.gz VKCAWUUEAQDDBX-DEOSSOPVSA-N 0 1 439.003 4.272 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344640 569080252 /nfs/dbraw/zinc/08/02/52/569080252.db2.gz REQYEGTZUHDCOV-SANMLTNESA-N 0 1 432.612 4.235 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COC ZINC000036346612 569081318 /nfs/dbraw/zinc/08/13/18/569081318.db2.gz VNXVZEIYYQESOH-HXUWFJFHSA-N 0 1 445.510 4.471 50 0 IIAAMN COC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346646 569081436 /nfs/dbraw/zinc/08/14/36/569081436.db2.gz CFNGMVSIQILMIM-OAQYLSRUSA-N 0 1 445.510 4.469 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000065116101 569107158 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IIAAMN Cc1ccc(-c2nc(-c3ccccc3)[nH]c2S(=O)(=O)CC(=O)Nc2ccccc2)cc1 ZINC000020328844 569360857 /nfs/dbraw/zinc/36/08/57/569360857.db2.gz BLNMWUAAICOQFC-UHFFFAOYSA-N 0 1 431.517 4.465 50 0 IIAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)n[nH]2)c(OC)c1 ZINC000057477171 569435822 /nfs/dbraw/zinc/43/58/22/569435822.db2.gz UGEZLLMPTVBHAT-UHFFFAOYSA-N 0 1 440.931 4.018 50 0 IIAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(F)cc1 ZINC000003238222 569442521 /nfs/dbraw/zinc/44/25/21/569442521.db2.gz TWQAHELWFCCJMV-UHFFFAOYSA-N 0 1 445.443 4.114 50 0 IIAAMN O=C(CC1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cc(Cl)cc(Cl)c1 ZINC000031812656 569457806 /nfs/dbraw/zinc/45/78/06/569457806.db2.gz IJXIUSLHEAXFLW-AWEZNQCLSA-N 0 1 436.686 4.427 50 0 IIAAMN O=C(c1cc(S(=O)(=O)c2ccccc2)c2nc3ccccc3n2c1)c1ccccc1O ZINC000008941461 569488634 /nfs/dbraw/zinc/48/86/34/569488634.db2.gz YGLWKDHFWHZUBA-UHFFFAOYSA-N 0 1 428.469 4.257 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccccc2F)c1 ZINC000008965487 569491429 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IIAAMN NC(=O)c1cccc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)c1 ZINC000069926097 569523965 /nfs/dbraw/zinc/52/39/65/569523965.db2.gz JEXMDLSOOLMSBS-DEOSSOPVSA-N 0 1 434.584 4.474 50 0 IIAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(Br)c1 ZINC000009409054 569530767 /nfs/dbraw/zinc/53/07/67/569530767.db2.gz LASAYSJIFNDHNA-FQEVSTJZSA-N 0 1 442.313 4.127 50 0 IIAAMN CCCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000009408942 569530769 /nfs/dbraw/zinc/53/07/69/569530769.db2.gz KPUFVFBOXMQRCF-UUOWRZLLSA-N 0 1 433.508 4.295 50 0 IIAAMN CCc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Cl ZINC000009490623 569540280 /nfs/dbraw/zinc/54/02/80/569540280.db2.gz BTRAYQTURZAJCA-UHFFFAOYSA-N 0 1 439.928 4.055 50 0 IIAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000009630885 569553728 /nfs/dbraw/zinc/55/37/28/569553728.db2.gz CDUUGBNIPAXPDE-UHFFFAOYSA-N 0 1 446.488 4.322 50 0 IIAAMN COc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009637599 569554814 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ZINC000020560318 520510920 /nfs/dbraw/zinc/51/09/20/520510920.db2.gz CFYSQFVGGMADQS-XUZZJYLKSA-N 0 1 433.552 4.046 50 0 IIAAMN CCOC(=O)C1=C(CN2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560318 520510929 /nfs/dbraw/zinc/51/09/29/520510929.db2.gz CFYSQFVGGMADQS-XUZZJYLKSA-N 0 1 433.552 4.046 50 0 IIAAMN CCN(CC)[C@H](CNC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000021463544 520862861 /nfs/dbraw/zinc/86/28/61/520862861.db2.gz VEPWEKORIRYGLE-MRXNPFEDSA-N 0 1 433.965 4.010 50 0 IIAAMN COc1cc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)ccc1OCC(C)C ZINC000012638251 521931694 /nfs/dbraw/zinc/93/16/94/521931694.db2.gz HJGXJZSHWPVOSG-YRNVUSSQSA-N 0 1 437.584 4.442 50 0 IIAAMN CN(CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CCCc2ccccc21 ZINC000022062467 522498932 /nfs/dbraw/zinc/49/89/32/522498932.db2.gz FBMFIILDYXNFBY-SFHVURJKSA-N 0 1 431.330 4.168 50 0 IIAAMN CCc1nc2sc(C(=O)NC[C@H](c3cccc(OC)c3)N3CCCC3)c(C)c2c(C)n1 ZINC000012763799 522533845 /nfs/dbraw/zinc/53/38/45/522533845.db2.gz 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CN(Cc1nc(-c2cccs2)no1)C(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000067622984 556845008 /nfs/dbraw/zinc/84/50/08/556845008.db2.gz ASRLXYAHTLSRIN-UHFFFAOYSA-N 0 1 430.961 4.322 50 0 IIAAMN CCc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccc(Br)cc4[nH]3)C2)cc1 ZINC000033071381 556852060 /nfs/dbraw/zinc/85/20/60/556852060.db2.gz QMJSRRUACBZOIE-QGZVFWFLSA-N 0 1 441.373 4.421 50 0 IIAAMN Brc1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCOCC2)cc1 ZINC000019832392 556927442 /nfs/dbraw/zinc/92/74/42/556927442.db2.gz PMTANRWPSSFWQC-UHFFFAOYSA-N 0 1 439.357 4.441 50 0 IIAAMN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cccc(OCCO)c2)CC1 ZINC000076922242 556993850 /nfs/dbraw/zinc/99/38/50/556993850.db2.gz ZSAPRSNDJHDJGN-UHFFFAOYSA-N 0 1 431.960 4.099 50 0 IIAAMN Cc1nn(-c2ccc(F)cc2)c2c1C(=C(O)c1ccc(Br)cc1)CC(=O)N2 ZINC000046057656 557029101 /nfs/dbraw/zinc/02/91/01/557029101.db2.gz NGSQCWPIBNPZHB-MRXNPFEDSA-N 0 1 428.261 4.391 50 0 IIAAMN CCOc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000017307958 557054209 /nfs/dbraw/zinc/05/42/09/557054209.db2.gz SJIUTNFCKMTDNY-UHFFFAOYSA-N 0 1 431.901 4.187 50 0 IIAAMN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000033299283 557077585 /nfs/dbraw/zinc/07/75/85/557077585.db2.gz NEJQJTICEGZUTE-UHFFFAOYSA-N 0 1 446.428 4.302 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccn3)ccc2Cl)cc1 ZINC000024928751 557180920 /nfs/dbraw/zinc/18/09/20/557180920.db2.gz AEUUGOBHPRWMRG-UHFFFAOYSA-N 0 1 431.901 4.187 50 0 IIAAMN COc1ccccc1[C@@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)N1CCCC1 ZINC000011603399 557208113 /nfs/dbraw/zinc/20/81/13/557208113.db2.gz PLVAQSVGZSDUGT-JOCHJYFZSA-N 0 1 448.567 4.006 50 0 IIAAMN O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cccn2-c2nccs2)CC1 ZINC000014962372 557227883 /nfs/dbraw/zinc/22/78/83/557227883.db2.gz SBCHXPYHNRBBSS-UHFFFAOYSA-N 0 1 446.580 4.149 50 0 IIAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018032083 557230711 /nfs/dbraw/zinc/23/07/11/557230711.db2.gz OJWSVBCPLATMAB-VSKRKVRLSA-N 0 1 434.879 4.400 50 0 IIAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CCc2c(C)nc(SC)nc2C)CC1 ZINC000026368045 557239749 /nfs/dbraw/zinc/23/97/49/557239749.db2.gz MKMKVWAVKRASOE-UHFFFAOYSA-N 0 1 448.036 4.182 50 0 IIAAMN CCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101197188 557263331 /nfs/dbraw/zinc/26/33/31/557263331.db2.gz NGTLWSVKRQPSLZ-VXNXHJTFSA-N 0 1 428.488 4.445 50 0 IIAAMN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(OC(F)(F)F)c1 ZINC000031721686 557291911 /nfs/dbraw/zinc/29/19/11/557291911.db2.gz RECYEROKGGZYSX-UHFFFAOYSA-N 0 1 449.472 4.102 50 0 IIAAMN CCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2s1 ZINC000033007544 557320610 /nfs/dbraw/zinc/32/06/10/557320610.db2.gz OASDADJFCMGYOH-UHFFFAOYSA-N 0 1 425.919 4.108 50 0 IIAAMN COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000102728369 557370672 /nfs/dbraw/zinc/37/06/72/557370672.db2.gz ADWLDFXLYJEDMV-WXFUMESZSA-N 0 1 444.487 4.063 50 0 IIAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102757999 557384251 /nfs/dbraw/zinc/38/42/51/557384251.db2.gz BSHNXEWKJQWCMI-WXFUMESZSA-N 0 1 444.487 4.150 50 0 IIAAMN CCc1cccc(NS(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c1 ZINC000040450679 557734376 /nfs/dbraw/zinc/73/43/76/557734376.db2.gz KGBRCOKPNGOBPE-LBPRGKRZSA-N 0 1 437.359 4.110 50 0 IIAAMN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014071074 557836971 /nfs/dbraw/zinc/83/69/71/557836971.db2.gz HWAHFMOOZCAWFA-IAGOWNOFSA-N 0 1 434.565 4.240 50 0 IIAAMN COc1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC ZINC000008593891 562952914 /nfs/dbraw/zinc/95/29/14/562952914.db2.gz VZAHLDHTYKUMKV-UHFFFAOYSA-N 0 1 447.963 4.400 50 0 IIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccco2)cc1OC ZINC000263585464 568759083 /nfs/dbraw/zinc/75/90/83/568759083.db2.gz JAJNYFCBUPKERN-CYBMUJFWSA-N 0 1 434.400 4.217 50 0 biogenic IIAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccco2)cc1OC ZINC000263585464 568759085 /nfs/dbraw/zinc/75/90/85/568759085.db2.gz JAJNYFCBUPKERN-CYBMUJFWSA-N 0 1 434.400 4.217 50 0 biogenic IIAAMN N=C1Nc2nc3ccccc3n2[C@@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1 ZINC000084544631 568798805 /nfs/dbraw/zinc/79/88/05/568798805.db2.gz RSXWDBZGKXFOPT-NRFANRHFSA-N 0 1 425.521 4.106 50 0 IIAAMN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1c[nH]c2ccccc2c1=O ZINC000084585405 568799024 /nfs/dbraw/zinc/79/90/24/568799024.db2.gz OVYNKHKMROJRLK-UHFFFAOYSA-N 0 1 431.319 4.313 50 0 IIAAMN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000015773683 568823062 /nfs/dbraw/zinc/82/30/62/568823062.db2.gz LFPZLMUOQLKHJJ-QHCPKHFHSA-N 0 1 439.987 4.036 50 0 IIAAMN COc1ccc([C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247920585 568837727 /nfs/dbraw/zinc/83/77/27/568837727.db2.gz HEIHNEJRGMHETE-HOFKKMOUSA-N 0 1 447.554 4.494 50 0 IIAAMN COc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557784 568932056 /nfs/dbraw/zinc/93/20/56/568932056.db2.gz PFAAZGKNDWDOCD-HXUWFJFHSA-N 0 1 439.464 4.166 50 0 IIAAMN CCCN1CCN(c2nn3c(nc(-c4ccc(O)cc4)c3NC3CCCC3)s2)CC1 ZINC000064746070 568949299 /nfs/dbraw/zinc/94/92/99/568949299.db2.gz GYQVXOOOSABFNH-UHFFFAOYSA-N 0 1 426.590 4.050 50 0 IIAAMN COc1cc(Nc2ncccc2S(=O)(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000064757555 568951977 /nfs/dbraw/zinc/95/19/77/568951977.db2.gz JEXLNJQJPLCGEH-UHFFFAOYSA-N 0 1 443.525 4.269 50 0 IIAAMN CC(C)CNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccccc3)C[C@@H]12 ZINC000169677373 568989754 /nfs/dbraw/zinc/98/97/54/568989754.db2.gz LPXDQHXXBPITLN-GMAHTHKFSA-N 0 1 445.529 4.341 50 0 IIAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000036340915 569078767 /nfs/dbraw/zinc/07/87/67/569078767.db2.gz BCRRHBCUZZDLFE-XMMPIXPASA-N 0 1 435.568 4.422 50 0 IIAAMN CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)Nc2ccccc2CC)c1 ZINC000065116124 569107129 /nfs/dbraw/zinc/10/71/29/569107129.db2.gz QCGVOXRBCDGILL-UHFFFAOYSA-N 0 1 443.525 4.234 50 0 IIAAMN COc1ccccc1C(=O)N1CCC[C@]2(C1)Nc1cccnc1N=C2NCc1ccccc1 ZINC000065265679 569127110 /nfs/dbraw/zinc/12/71/10/569127110.db2.gz ORQMCTQZOJRHFU-AREMUKBSSA-N 0 1 441.535 4.011 50 0 biogenic IIAAMN CN(C(=O)OC(C)(C)C)[C@]1(c2ccccc2Cl)CCCC[C@@H]1NCc1nncn1C ZINC000170606812 569144562 /nfs/dbraw/zinc/14/45/62/569144562.db2.gz CBIBEWORTBLNID-AVRDEDQJSA-N 0 1 433.984 4.263 50 0 IIAAMN CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)cc2)c(=O)[nH]1 ZINC000016847662 569164008 /nfs/dbraw/zinc/16/40/08/569164008.db2.gz WNRGOGQRBSEDPL-UHFFFAOYSA-N 0 1 447.543 4.479 50 0 IIAAMN O=C(COc1ccc(Oc2ccccn2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000170648572 569189497 /nfs/dbraw/zinc/18/94/97/569189497.db2.gz WAMJSVCMHYDYDO-UHFFFAOYSA-N 0 1 435.499 4.173 50 0 IIAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000027522935 569262722 /nfs/dbraw/zinc/26/27/22/569262722.db2.gz VESKUDXFZRDARF-GOTSBHOMSA-N 0 1 426.472 4.065 50 0 IIAAMN CCc1ccc(CNC(=S)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1 ZINC000020153857 569353572 /nfs/dbraw/zinc/35/35/72/569353572.db2.gz ZXNYWHOHRZNEOA-UHFFFAOYSA-N 0 1 433.625 4.344 50 0 IIAAMN O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000095454962 569368534 /nfs/dbraw/zinc/36/85/34/569368534.db2.gz HPACXWBHKVDFCG-KRWDZBQOSA-N 0 1 449.515 4.422 50 0 IIAAMN O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000095454962 569368535 /nfs/dbraw/zinc/36/85/35/569368535.db2.gz HPACXWBHKVDFCG-KRWDZBQOSA-N 0 1 449.515 4.422 50 0 IIAAMN O=C(Nc1nnc(CCN2CCc3ccccc3C2)s1)c1ccccc1Br ZINC000095481379 569374069 /nfs/dbraw/zinc/37/40/69/569374069.db2.gz ADPFFUNMDSIZPS-UHFFFAOYSA-N 0 1 443.370 4.154 50 0 IIAAMN COCCn1c(C)cc(C(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)c1C ZINC000002662182 569416262 /nfs/dbraw/zinc/41/62/62/569416262.db2.gz NHIHQNNNIWBKKG-UHFFFAOYSA-N 0 1 434.949 4.173 50 0 IIAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000057222767 569430141 /nfs/dbraw/zinc/43/01/41/569430141.db2.gz LIBZIUGUSBPARX-UHFFFAOYSA-N 0 1 447.510 4.187 50 0 IIAAMN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000057352384 569431334 /nfs/dbraw/zinc/43/13/34/569431334.db2.gz SSNRPVXEYWQFEG-KRWDZBQOSA-N 0 1 437.490 4.493 50 0 IIAAMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc(F)cc2)ccc1F ZINC000003239781 569442536 /nfs/dbraw/zinc/44/25/36/569442536.db2.gz CORYXYFDJNBTKY-UHFFFAOYSA-N 0 1 445.443 4.114 50 0 IIAAMN CCCOc1ccc([C@@H]2NC(=O)N=C(C)C2C(=O)OC(C(F)(F)F)C(F)(F)F)cc1 ZINC000004065736 569458552 /nfs/dbraw/zinc/45/85/52/569458552.db2.gz DBKQOQITEVFLQJ-ZDUSSCGKSA-N 0 1 440.340 4.140 50 0 IIAAMN O=C(CN1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1ccccc1-c1ccccc1 ZINC000008694527 569470051 /nfs/dbraw/zinc/47/00/51/569470051.db2.gz YBXBWLRGXDTBCI-UHFFFAOYSA-N 0 1 444.564 4.344 50 0 IIAAMN CCCOc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 ZINC000008717602 569471120 /nfs/dbraw/zinc/47/11/20/569471120.db2.gz BZVVZMSBGYYWRO-QGZVFWFLSA-N 0 1 435.322 4.070 50 0 IIAAMN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c1C ZINC000008726659 569472304 /nfs/dbraw/zinc/47/23/04/569472304.db2.gz ADUDRVKTSZNHQG-UHFFFAOYSA-N 0 1 433.331 4.357 50 0 IIAAMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCCN2[C@]12C(=O)Nc1c2cc(C)cc1C ZINC000008876829 569481112 /nfs/dbraw/zinc/48/11/12/569481112.db2.gz VPBLXOLTDCARML-GXYVPTEVSA-N 0 1 439.943 4.236 50 0 biogenic IIAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000040058991 569484723 /nfs/dbraw/zinc/48/47/23/569484723.db2.gz YNZXIMXBCCNBHV-XXBNENTESA-N 0 1 444.560 4.382 50 0 IIAAMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c(OC)c1 ZINC000008961306 569491004 /nfs/dbraw/zinc/49/10/04/569491004.db2.gz DOQXZPMCMXVJHV-UHFFFAOYSA-N 0 1 440.477 4.171 50 0 IIAAMN COC(=O)c1ccccc1NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(Cl)c1 ZINC000040283346 569497822 /nfs/dbraw/zinc/49/78/22/569497822.db2.gz ZYJNMSVFFSCADL-IBGZPJMESA-N 0 1 428.851 4.168 50 0 IIAAMN CC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000245330420 569504093 /nfs/dbraw/zinc/50/40/93/569504093.db2.gz YKDCUEZJYOAUCL-NFBKMPQASA-N 0 1 444.641 4.469 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2OC)cc1 ZINC000009127990 569505340 /nfs/dbraw/zinc/50/53/40/569505340.db2.gz UHHUYLNUSLLISV-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN CCc1ccccc1NS(=O)(=O)c1cc2c(cc1Br)C[C@@H](C)N2C(C)=O ZINC000040450599 569506319 /nfs/dbraw/zinc/50/63/19/569506319.db2.gz ULDKMZGXSNNYEC-GFCCVEGCSA-N 0 1 437.359 4.110 50 0 IIAAMN COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3c(F)cccc3F)nc21 ZINC000009452404 569536501 /nfs/dbraw/zinc/53/65/01/569536501.db2.gz FVUBWMGEKZHZKV-UHFFFAOYSA-N 0 1 425.888 4.445 50 0 IIAAMN CC(C)Cn1c(=O)cc(O)nc1SCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000009465791 569538057 /nfs/dbraw/zinc/53/80/57/569538057.db2.gz PYKQJVZAKAAAFF-UHFFFAOYSA-N 0 1 436.748 4.296 50 0 IIAAMN COc1ccc([C@@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)N2CCCC2)cc1 ZINC000009714070 569562685 /nfs/dbraw/zinc/56/26/85/569562685.db2.gz CEYALUSOMUAKNM-HSZRJFAPSA-N 0 1 447.535 4.416 50 0 IIAAMN CCOc1ccc(-c2cnc(NCc3cc(OC)c(OC)c(OC)c3)n2CCOC)cc1 ZINC000009720964 569563303 /nfs/dbraw/zinc/56/33/03/569563303.db2.gz HHPWIDYSNFHPDP-UHFFFAOYSA-N 0 1 441.528 4.233 50 0 IIAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000009778200 569567257 /nfs/dbraw/zinc/56/72/57/569567257.db2.gz LWTYDHBKAHHIGJ-FGZHOGPDSA-N 0 1 446.890 4.491 50 0 IIAAMN COc1cccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000009778848 569567276 /nfs/dbraw/zinc/56/72/76/569567276.db2.gz XOOVAOQPWYJJAA-YADHBBJMSA-N 0 1 446.890 4.410 50 0 IIAAMN COc1cccc([C@@H](CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)N2CCCC2)c1 ZINC000010030571 569577318 /nfs/dbraw/zinc/57/73/18/569577318.db2.gz JJTMMQMRMHWYGZ-RUZDIDTESA-N 0 1 449.551 4.446 50 0 IIAAMN Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccc(Br)cc3)c(O)c12 ZINC000010166810 569578333 /nfs/dbraw/zinc/57/83/33/569578333.db2.gz FMXIGGCTMBMDQO-UHFFFAOYSA-N 0 1 437.297 4.345 50 0 IIAAMN C[C@H](C(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21)N1CCC(Cc2ccccc2)CC1 ZINC000009560319 132321339 /nfs/dbraw/zinc/32/13/39/132321339.db2.gz TXACFSMJJLLCMS-GOSISDBHSA-N 0 1 446.547 4.121 50 0 IIAAMN Cc1ccc(C)c(N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)CC2)c1 ZINC000009727111 132327786 /nfs/dbraw/zinc/32/77/86/132327786.db2.gz WXSUSLSPKLUMFM-UHFFFAOYSA-N 0 1 439.357 4.418 50 0 IIAAMN CCOC(=O)C1CCN([C@@H](c2c(C)[nH]c3ccc(NC(C)=O)cc32)c2ccccn2)CC1 ZINC000021805628 520579613 /nfs/dbraw/zinc/57/96/13/520579613.db2.gz KIHJAPJLZRPECC-XMMPIXPASA-N 0 1 434.540 4.194 50 0 IIAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)ccc2Cl)cc1 ZINC000012605877 521131158 /nfs/dbraw/zinc/13/11/58/521131158.db2.gz DVXSKRAHUWAKCT-UHFFFAOYSA-N 0 1 435.889 4.088 50 0 IIAAMN CCOc1cccc(CN2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)c1 ZINC000012206508 521335797 /nfs/dbraw/zinc/33/57/97/521335797.db2.gz KHVAFWHRUXCQQD-UHFFFAOYSA-N 0 1 446.975 4.158 50 0 IIAAMN CCN1CCN(Cc2nc3cc(NC(=O)COc4ccc(C)cc4)ccc3n2C(C)C)CC1 ZINC000020608860 521689911 /nfs/dbraw/zinc/68/99/11/521689911.db2.gz OZFBUYKFXNCEKA-UHFFFAOYSA-N 0 1 449.599 4.081 50 0 IIAAMN COC(=O)c1ccc(-c2nc(CN(CCO)CC34CC5CC(CC(C5)C3)C4)c(C)o2)cc1 ZINC000012588416 521928051 /nfs/dbraw/zinc/92/80/51/521928051.db2.gz ZTUBPTYKUPMLIG-UHFFFAOYSA-N 0 1 438.568 4.447 50 0 IIAAMN CCc1nc2sc(C(=O)NC[C@@H](c3cccc(OC)c3)N3CCCC3)c(C)c2c(C)n1 ZINC000012763804 522533685 /nfs/dbraw/zinc/53/36/85/522533685.db2.gz GHHBHPYGRCMBHD-IBGZPJMESA-N 0 1 438.597 4.446 50 0 IIAAMN COCc1ccc(CN2CCC(n3nccc3NC(=O)Nc3ccccc3OC)CC2)o1 ZINC000020907294 522971127 /nfs/dbraw/zinc/97/11/27/522971127.db2.gz XMZULHRPIVBWKM-UHFFFAOYSA-N 0 1 439.516 4.112 50 0 IIAAMN CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000020678159 523190820 /nfs/dbraw/zinc/19/08/20/523190820.db2.gz JBCJCZSKAYYUDN-UHFFFAOYSA-N 0 1 443.551 4.219 50 0 IIAAMN CCn1ncc(CN2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)c1C ZINC000012701958 523691953 /nfs/dbraw/zinc/69/19/53/523691953.db2.gz JYQDEZQKBHRIBO-UHFFFAOYSA-N 0 1 425.512 4.028 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(F)cc1)=N2 ZINC000035372816 523788381 /nfs/dbraw/zinc/78/83/81/523788381.db2.gz FKRULEOPDLKVGR-UHFFFAOYSA-N 0 1 444.963 4.474 50 0 IIAAMN C[C@H](CCc1ccco1)NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000012893196 524255785 /nfs/dbraw/zinc/25/57/85/524255785.db2.gz JSLOZLIEIVYOTJ-MRXNPFEDSA-N 0 1 433.460 4.275 50 0 biogenic IIAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCc3sccc3[C@@H]2C)c1 ZINC000012561135 524644744 /nfs/dbraw/zinc/64/47/44/524644744.db2.gz QUKJOJWBHLNOJW-HNNXBMFYSA-N 0 1 442.562 4.317 50 0 IIAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCCOC(C)C)cc1 ZINC000021148649 525276983 /nfs/dbraw/zinc/27/69/83/525276983.db2.gz CCJLHXDVVCPKTN-XMMPIXPASA-N 0 1 435.524 4.460 50 0 IIAAMN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000012598779 525409506 /nfs/dbraw/zinc/40/95/06/525409506.db2.gz ALCLWRIVYOZOHR-OAQYLSRUSA-N 0 1 439.947 4.485 50 0 IIAAMN Cc1c(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cnn1C ZINC000012577761 525706691 /nfs/dbraw/zinc/70/66/91/525706691.db2.gz FQNZXUPDQUTSBB-UHFFFAOYSA-N 0 1 430.980 4.098 50 0 IIAAMN C[C@@H](Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)N1CCCC1 ZINC000012556935 525708724 /nfs/dbraw/zinc/70/87/24/525708724.db2.gz OTNDFLYNWFOQNZ-CYBMUJFWSA-N 0 1 442.368 4.217 50 0 IIAAMN Cc1ccc(-c2cc(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)n[nH]2)cc1C ZINC000020531693 525720619 /nfs/dbraw/zinc/72/06/19/525720619.db2.gz SCZPVWXETUHPQT-UHFFFAOYSA-N 0 1 438.959 4.184 50 0 IIAAMN COc1cccc(N2C(=O)c3ccccc3/C(=C\NC[C@H](c3cccs3)N(C)C)C2=O)c1 ZINC000020664575 526142058 /nfs/dbraw/zinc/14/20/58/526142058.db2.gz GUPSYCXHTUQPLE-ONQWYEKWSA-N 0 1 447.560 4.177 50 0 IIAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(n2c3ncccc3nc2[C@@H]2CCCO2)CC1 ZINC000012218602 526589766 /nfs/dbraw/zinc/58/97/66/526589766.db2.gz DVLKZWDKSILKFL-QFIPXVFZSA-N 0 1 442.523 4.150 50 0 IIAAMN O=C(CN1CCN(Cc2cccc3ccccc32)CC1)Nc1ccccc1Br ZINC000022799306 526775455 /nfs/dbraw/zinc/77/54/55/526775455.db2.gz NPINJODLEVPWNF-UHFFFAOYSA-N 0 1 438.369 4.359 50 0 IIAAMN O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3ccccc3Cl)CC2)N1 ZINC000012130464 527052780 /nfs/dbraw/zinc/05/27/80/527052780.db2.gz NSVVVMICNJGTJN-XMMPIXPASA-N 0 1 425.960 4.153 50 0 IIAAMN Cc1nc2cc(NS(=O)(=O)c3cc(Br)ccc3Br)ccc2o1 ZINC000012536095 527129544 /nfs/dbraw/zinc/12/95/44/527129544.db2.gz WUOFYZCZJHTAPW-UHFFFAOYSA-N 0 1 446.120 4.462 50 0 IIAAMN O=S(=O)(Nc1ccc(F)c(F)c1)c1cc(Br)ccc1Br ZINC000012927390 527248604 /nfs/dbraw/zinc/24/86/04/527248604.db2.gz CXIIHPHPYWXVBS-UHFFFAOYSA-N 0 1 427.064 4.291 50 0 IIAAMN O=C(Nc1ccnn1C1CCN(Cc2cccn2-c2cccnc2)CC1)c1ccccc1 ZINC000012308382 527460875 /nfs/dbraw/zinc/46/08/75/527460875.db2.gz VMSOBDFBFGLGNM-UHFFFAOYSA-N 0 1 426.524 4.158 50 0 IIAAMN O=C(Nc1ccnn1C1CCN(Cc2cccn2-c2ccccn2)CC1)c1cccc(F)c1 ZINC000012436244 527461516 /nfs/dbraw/zinc/46/15/16/527461516.db2.gz PRPOKTBBIGITKV-UHFFFAOYSA-N 0 1 444.514 4.297 50 0 IIAAMN O=C(NCC1CCN(Cc2ccc(Cl)cc2)CC1)c1[nH]nc2c1COc1ccccc1-2 ZINC000015772910 527609445 /nfs/dbraw/zinc/60/94/45/527609445.db2.gz WKWPGGUBSOIZTK-UHFFFAOYSA-N 0 1 436.943 4.265 50 0 IIAAMN CCSc1nnc2c(n1)O[C@H](C(=O)c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000000684206 555539176 /nfs/dbraw/zinc/53/91/76/555539176.db2.gz BENGCJLOKDDYFR-GOSISDBHSA-N 0 1 443.326 4.426 50 0 IIAAMN O=C(c1ccncc1)N(c1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000956448 555590378 /nfs/dbraw/zinc/59/03/78/555590378.db2.gz IHGWCJCNTAZUQS-IBGZPJMESA-N 0 1 440.286 4.367 50 0 IIAAMN O=C(c1ccncc1)N(c1cccc(Cl)c1)C1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000956448 555590382 /nfs/dbraw/zinc/59/03/82/555590382.db2.gz IHGWCJCNTAZUQS-IBGZPJMESA-N 0 1 440.286 4.367 50 0 IIAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 ZINC000001049325 555612467 /nfs/dbraw/zinc/61/24/67/555612467.db2.gz PDOJCEVDHJRVMJ-UHFFFAOYSA-N 0 1 428.941 4.422 50 0 IIAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000034676427 555794318 /nfs/dbraw/zinc/79/43/18/555794318.db2.gz UJAJOGVVEJGMHI-OAQYLSRUSA-N 0 1 431.502 4.441 50 0 IIAAMN CN1CCN(c2nc(-c3cccs3)ccc2C(=O)NCc2cccc(Cl)c2)CC1 ZINC000011968291 556382095 /nfs/dbraw/zinc/38/20/95/556382095.db2.gz BHBDLTIOBWPTOZ-UHFFFAOYSA-N 0 1 426.973 4.145 50 0 IIAAMN COc1ccc2cc(CN(C)Cc3cc(=O)n4cc(Br)ccc4n3)ccc2c1 ZINC000014200841 556391497 /nfs/dbraw/zinc/39/14/97/556391497.db2.gz PCACYGAXINZAQY-UHFFFAOYSA-N 0 1 438.325 4.251 50 0 IIAAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc4c(cc(C)cc4C)s3)n2)cc1 ZINC000012974749 556420539 /nfs/dbraw/zinc/42/05/39/556420539.db2.gz AHWNBPQPLJEQHN-UHFFFAOYSA-N 0 1 425.539 4.438 50 0 IIAAMN CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccc(OC)cc4)n[nH]3)sc2c1 ZINC000013028772 556441617 /nfs/dbraw/zinc/44/16/17/556441617.db2.gz QAPRZJGMDYIEBA-UHFFFAOYSA-N 0 1 441.538 4.220 50 0 IIAAMN COc1ccc([C@H]2CCCCCN2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000029156006 556468962 /nfs/dbraw/zinc/46/89/62/556468962.db2.gz YZBIHHBXEZEMGW-HSZRJFAPSA-N 0 1 438.568 4.214 50 0 IIAAMN COCCNC(=O)c1ccc(OC2CCN(Cc3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000015069155 556494607 /nfs/dbraw/zinc/49/46/07/556494607.db2.gz JNAUUYFOKYEASP-UHFFFAOYSA-N 0 1 437.367 4.413 50 0 IIAAMN COc1cc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000032899233 556524902 /nfs/dbraw/zinc/52/49/02/556524902.db2.gz QDWMLDFRPUJHQS-HDICACEKSA-N 0 1 446.975 4.157 50 0 IIAAMN CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(Cc2ccccc2OC(F)F)C1 ZINC000013594287 556531693 /nfs/dbraw/zinc/53/16/93/556531693.db2.gz YUYJVZYZSCLFPA-IBGZPJMESA-N 0 1 431.527 4.376 50 0 IIAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000016625200 556618710 /nfs/dbraw/zinc/61/87/10/556618710.db2.gz JDQBTCHABZHYEP-UHFFFAOYSA-N 0 1 440.974 4.107 50 0 IIAAMN CCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000011914094 556673665 /nfs/dbraw/zinc/67/36/65/556673665.db2.gz BKDIKCBWNNOTIE-JOCHJYFZSA-N 0 1 437.496 4.072 50 0 IIAAMN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n[nH]2)cc1 ZINC000072331252 556730116 /nfs/dbraw/zinc/73/01/16/556730116.db2.gz YZGKRKJMWZRZPN-UHFFFAOYSA-N 0 1 446.551 4.421 50 0 IIAAMN O=C(CCc1nc2ccccc2s1)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055119413 556735325 /nfs/dbraw/zinc/73/53/25/556735325.db2.gz YGVKLWKHZQWFHX-OAQYLSRUSA-N 0 1 434.609 4.042 50 0 IIAAMN CCc1nc(COc2ccccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000058326416 556781008 /nfs/dbraw/zinc/78/10/08/556781008.db2.gz SXLDLRRMNHDODH-UHFFFAOYSA-N 0 1 428.297 4.319 50 0 IIAAMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000058393660 556785153 /nfs/dbraw/zinc/78/51/53/556785153.db2.gz MZMJQDXUOTUTKU-UHFFFAOYSA-N 0 1 449.020 4.375 50 0 IIAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000097940891 556810640 /nfs/dbraw/zinc/81/06/40/556810640.db2.gz IHKBMPWHOQRRSG-UHFFFAOYSA-N 0 1 448.932 4.058 50 0 IIAAMN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000097940840 556811518 /nfs/dbraw/zinc/81/15/18/556811518.db2.gz RVLYCEYNABWUQW-UHFFFAOYSA-N 0 1 442.541 4.138 50 0 IIAAMN Cc1ccc(CNC(=O)C2CCN(c3nc4ccc(Br)cc4[nH]3)CC2)cc1 ZINC000033071232 556851505 /nfs/dbraw/zinc/85/15/05/556851505.db2.gz ORCIRKGFUQLVSB-UHFFFAOYSA-N 0 1 427.346 4.167 50 0 IIAAMN Cc1ccc(CCNC(=O)C2CCN(c3nc4ccc(Br)cc4[nH]3)CC2)cc1 ZINC000033071239 556851638 /nfs/dbraw/zinc/85/16/38/556851638.db2.gz FGSOPTBAJHMHES-UHFFFAOYSA-N 0 1 441.373 4.209 50 0 IIAAMN Cc1ccccc1NC(=O)Nc1ccnn1C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000019740400 556880370 /nfs/dbraw/zinc/88/03/70/556880370.db2.gz SELBNHKMIZURNK-UHFFFAOYSA-N 0 1 433.512 4.401 50 0 IIAAMN Cc1cccc(CN2CCN(Cc3ccc(N(C)c4ccccc4)cc3)C[C@@H]2CCO)n1 ZINC000019865858 556934496 /nfs/dbraw/zinc/93/44/96/556934496.db2.gz RVLIKOJDOZDJCK-MHZLTWQESA-N 0 1 430.596 4.227 50 0 IIAAMN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1CNCCC(=O)Nc1ccncc1 ZINC000097001937 557014022 /nfs/dbraw/zinc/01/40/22/557014022.db2.gz HPSGDKUXIYCKDH-UHFFFAOYSA-N 0 1 437.853 4.366 50 0 IIAAMN Cc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000032946894 557036695 /nfs/dbraw/zinc/03/66/95/557036695.db2.gz UAUORMTTWSYRCY-UHFFFAOYSA-N 0 1 447.510 4.407 50 0 IIAAMN CCN1CCN(Cc2nn(-c3cccc(C(F)(F)F)c3)c(N)c2-c2ccccc2)CC1 ZINC000022920630 557047349 /nfs/dbraw/zinc/04/73/49/557047349.db2.gz PIVZXSFDJXYCIU-UHFFFAOYSA-N 0 1 429.490 4.278 50 0 IIAAMN O=C(/C=C\c1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000033332872 557117880 /nfs/dbraw/zinc/11/78/80/557117880.db2.gz IEBZGBIRUMIYIB-KTKRTIGZSA-N 0 1 449.319 4.236 50 0 IIAAMN O=C(CCc1nc(-c2ccccc2)no1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023936319 557126500 /nfs/dbraw/zinc/12/65/00/557126500.db2.gz WGYXQLBLWQTAES-UHFFFAOYSA-N 0 1 426.520 4.167 50 0 IIAAMN COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000017886434 557127209 /nfs/dbraw/zinc/12/72/09/557127209.db2.gz QCAPIHXQUSPMAK-SMIHKQSGSA-N 0 1 444.487 4.063 50 0 IIAAMN C[C@@H](NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1 ZINC000024831545 557170598 /nfs/dbraw/zinc/17/05/98/557170598.db2.gz XEABMCAPZPLRPI-PXAZEXFGSA-N 0 1 425.838 4.297 50 0 IIAAMN COc1ccccc1[C@@H](CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)N1CCCC1 ZINC000018011588 557199657 /nfs/dbraw/zinc/19/96/57/557199657.db2.gz VPXLVBCCEVSBDG-OAQYLSRUSA-N 0 1 433.508 4.107 50 0 IIAAMN CCCOCCCNC(=O)c1cc(N2CCN(Cc3ccccc3)CC2)nc2ccccc21 ZINC000023326969 557313198 /nfs/dbraw/zinc/31/31/98/557313198.db2.gz KKZJRQWZPNBXSO-UHFFFAOYSA-N 0 1 446.595 4.104 50 0 IIAAMN CC(C)(C)c1ccc(CN2CCN(c3cc(-c4ccccc4)nc4ncnn43)CC2)cc1 ZINC000023449680 557356521 /nfs/dbraw/zinc/35/65/21/557356521.db2.gz IIYBPRIAHYEDME-UHFFFAOYSA-N 0 1 426.568 4.411 50 0 IIAAMN CC(C)n1nccc1NC(=O)[C@@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023468046 557361574 /nfs/dbraw/zinc/36/15/74/557361574.db2.gz UPZLVSFFGZDKCL-OAQYLSRUSA-N 0 1 431.584 4.198 50 0 IIAAMN O=C1C2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl ZINC000102896187 557405363 /nfs/dbraw/zinc/40/53/63/557405363.db2.gz XJTDVSXZTNHNDM-ZFWWWQNUSA-N 0 1 429.181 4.305 50 0 IIAAMN CCOC(=O)C(=C([O-])CSc1nnc(-c2cccc(Cl)c2)o1)c1nc(C)cs1 ZINC000103034978 557416017 /nfs/dbraw/zinc/41/60/17/557416017.db2.gz JDAIOZDSEHTIDV-CQSZACIVSA-N 0 1 437.930 4.163 50 0 IIAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccncc2)cc1 ZINC000008606651 562957060 /nfs/dbraw/zinc/95/70/60/562957060.db2.gz URHWTNDSYYXVEK-XMMPIXPASA-N 0 1 426.476 4.321 50 0 IIAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000011843307 562979483 /nfs/dbraw/zinc/97/94/83/562979483.db2.gz AUXAXBSHUVEHHK-UHFFFAOYSA-N 0 1 425.525 4.088 50 0 IIAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000025147151 568641312 /nfs/dbraw/zinc/64/13/12/568641312.db2.gz XLMCPCXYAKWJQY-UHFFFAOYSA-N 0 1 427.482 4.149 50 0 IIAAMN O=C(/C=C/c1ccco1)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000003296233 568745379 /nfs/dbraw/zinc/74/53/79/568745379.db2.gz VQVDBYMXDPKLLW-ONEGZZNKSA-N 0 1 446.120 4.037 50 0 IIAAMN COc1cc2c(cc1OC)[C@@H](OC(=O)Nc1ccc(C)cc1)C[C@@H]2NC(=O)C(F)(F)F ZINC000001399331 568785949 /nfs/dbraw/zinc/78/59/49/568785949.db2.gz BUJVQXCEDZBTOO-HOTGVXAUSA-N 0 1 438.402 4.425 50 0 IIAAMN O=C(Nc1ccccc1F)C(=Cc1cc(-c2cccnc2)[nH]n1)C(=O)Nc1ccccc1F ZINC000084506018 568798366 /nfs/dbraw/zinc/79/83/66/568798366.db2.gz XYMKLAYOEOTKAU-UHFFFAOYSA-N 0 1 445.429 4.411 50 0 IIAAMN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000040090759 568896583 /nfs/dbraw/zinc/89/65/83/568896583.db2.gz QVRRSCUMVMNNNX-IYJBSMEOSA-N 0 1 437.971 4.199 50 0 IIAAMN COc1ccccc1-c1coc2c3c(cc(=O)c-2c1O)OC(=O)C[C@H]3c1cccc(O)c1 ZINC000524729203 568903938 /nfs/dbraw/zinc/90/39/38/568903938.db2.gz IQGCBSHSYIAFDQ-INIZCTEOSA-N 0 1 430.412 4.321 50 0 biogenic IIAAMN CCOc1ccccc1C(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000089270091 568909991 /nfs/dbraw/zinc/90/99/91/568909991.db2.gz FLZUEHKRUSYBLE-UHFFFAOYSA-N 0 1 435.490 4.046 50 0 IIAAMN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c1 ZINC000245312849 568914720 /nfs/dbraw/zinc/91/47/20/568914720.db2.gz XXAKPPYKBYUAGJ-GSPCLOLRSA-N 0 1 428.532 4.434 50 0 IIAAMN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@H](O)COc3ccccc3)n2)cc1 ZINC000036147592 568962510 /nfs/dbraw/zinc/96/25/10/568962510.db2.gz SNXWKEXLHJSYGH-NRFANRHFSA-N 0 1 433.508 4.123 50 0 IIAAMN COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CCN(Cc4ccc(F)cc4)C[C@@H]23)c1 ZINC000169677783 568989703 /nfs/dbraw/zinc/98/97/03/568989703.db2.gz HKHRVFDJYYDLOV-AHWVRZQESA-N 0 1 445.538 4.336 50 0 IIAAMN Cc1ccc(C)c(Cc2c(C)nc(C)nc2N2CCN(C[C@H](O)Cc3ccccc3)CC2)c1 ZINC000036340294 569078642 /nfs/dbraw/zinc/07/86/42/569078642.db2.gz HGNQYBXJEWPBFX-AREMUKBSSA-N 0 1 444.623 4.027 50 0 IIAAMN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCC(C)CC2)c(OC)c1 ZINC000036343386 569080487 /nfs/dbraw/zinc/08/04/87/569080487.db2.gz KVGDPNNCHPOAFS-DEOSSOPVSA-N 0 1 435.568 4.422 50 0 IIAAMN Cc1nnc2c(Oc3ccc(NS(=O)(=O)c4ccccc4F)cc3)nc3ccccc3n12 ZINC000065096440 569103561 /nfs/dbraw/zinc/10/35/61/569103561.db2.gz URTBALBWMPNESS-UHFFFAOYSA-N 0 1 449.467 4.318 50 0 IIAAMN CC(=O)Nc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)ccc1O ZINC000009996226 569151437 /nfs/dbraw/zinc/15/14/37/569151437.db2.gz MVYVICHKPVRPGT-UHFFFAOYSA-N 0 1 447.520 4.400 50 0 IIAAMN Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1 ZINC000017013976 569170734 /nfs/dbraw/zinc/17/07/34/569170734.db2.gz VUBPBTGLMRZMSW-UHFFFAOYSA-N 0 1 427.505 4.069 50 0 IIAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000012983935 569305881 /nfs/dbraw/zinc/30/58/81/569305881.db2.gz SJCIWRRWYVRBIL-UHFFFAOYSA-N 0 1 443.532 4.133 50 0 IIAAMN CCOC(=O)C1C(CN(Cc2ccco2)C2CCCCC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020284077 569358907 /nfs/dbraw/zinc/35/89/07/569358907.db2.gz HJDYSJLIBXYCGH-HSZRJFAPSA-N 0 1 437.540 4.286 50 0 IIAAMN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000096003218 569379075 /nfs/dbraw/zinc/37/90/75/569379075.db2.gz MMVKERSDOLKLFR-UHFFFAOYSA-N 0 1 449.954 4.407 50 0 IIAAMN O=C(NCc1ccc(F)cc1)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000096457210 569400785 /nfs/dbraw/zinc/40/07/85/569400785.db2.gz FUUKPPZRNLTKLV-AZGAKELHSA-N 0 1 447.529 4.144 50 0 IIAAMN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000057536243 569439495 /nfs/dbraw/zinc/43/94/95/569439495.db2.gz ZFEWDPAJNNOVCY-RPWUZVMVSA-N 0 1 431.580 4.375 50 0 IIAAMN CCCOc1ccc([C@H]2NC(=O)N=C(C)C2C(=O)OC(C(F)(F)F)C(F)(F)F)cc1 ZINC000004065734 569458572 /nfs/dbraw/zinc/45/85/72/569458572.db2.gz DBKQOQITEVFLQJ-CYBMUJFWSA-N 0 1 440.340 4.140 50 0 IIAAMN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032094781 569459760 /nfs/dbraw/zinc/45/97/60/569459760.db2.gz BXTZJTLAPYCSPW-IBGZPJMESA-N 0 1 436.409 4.059 50 0 IIAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000008861464 569480014 /nfs/dbraw/zinc/48/00/14/569480014.db2.gz XKKRHUBAWXNQJO-UHFFFAOYSA-N 0 1 435.137 4.329 50 0 IIAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008918605 569486317 /nfs/dbraw/zinc/48/63/17/569486317.db2.gz WTJYADYSJSWCDT-JPYYHWIRSA-N 0 1 438.483 4.150 50 0 biogenic IIAAMN CC(=O)[C@@H]1C(C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008918605 569486318 /nfs/dbraw/zinc/48/63/18/569486318.db2.gz WTJYADYSJSWCDT-JPYYHWIRSA-N 0 1 438.483 4.150 50 0 biogenic IIAAMN Cc1occc1C(=O)Nc1cc(NC(=O)NC[C@@H](c2cccs2)N(C)C)ccc1F ZINC000040105589 569488290 /nfs/dbraw/zinc/48/82/90/569488290.db2.gz IULLNGMAQNPOTI-SFHVURJKSA-N 0 1 430.505 4.465 50 0 IIAAMN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000040115217 569489220 /nfs/dbraw/zinc/48/92/20/569489220.db2.gz WBSHFLCTKCYRPC-INIZCTEOSA-N 0 1 448.850 4.277 50 0 IIAAMN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1)(Nc1nc2ccccc2s1)C(F)(F)F ZINC000008974240 569492903 /nfs/dbraw/zinc/49/29/03/569492903.db2.gz CAQNQCRVOOFREX-QGZVFWFLSA-N 0 1 443.834 4.223 50 0 IIAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3cccc(Cl)c3)c(Br)cc2C[C@@H]1C ZINC000040450581 569506358 /nfs/dbraw/zinc/50/63/58/569506358.db2.gz NLJAUIHQQYBHNX-JTQLQIEISA-N 0 1 443.750 4.201 50 0 IIAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(Cl)c2)N(CCCO)C3=O)cc1Cl ZINC000009243106 569514805 /nfs/dbraw/zinc/51/48/05/569514805.db2.gz NFJGMKHSRWMFQE-HXUWFJFHSA-N 0 1 432.307 4.325 50 0 IIAAMN COCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(Br)cc1 ZINC000009243303 569514829 /nfs/dbraw/zinc/51/48/29/569514829.db2.gz GJRYGRPQFHOEMA-HXUWFJFHSA-N 0 1 442.313 4.127 50 0 IIAAMN COc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3ccccc3OC(F)F)C[C@@H]21 ZINC000009310975 569521808 /nfs/dbraw/zinc/52/18/08/569521808.db2.gz BSAGVDZCOCECHE-SFHVURJKSA-N 0 1 429.467 4.262 50 0 IIAAMN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(Cl)c(Cl)c2)N(CCN(C)C)C1=O ZINC000009348179 569524452 /nfs/dbraw/zinc/52/44/52/569524452.db2.gz YBKSVOMXZOTJPU-IBGZPJMESA-N 0 1 447.318 4.215 50 0 IIAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000009490636 569540276 /nfs/dbraw/zinc/54/02/76/569540276.db2.gz NHCBAXCMCVMISM-UHFFFAOYSA-N 0 1 446.319 4.146 50 0 IIAAMN CCN(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccccc1Cl ZINC000009536180 569545536 /nfs/dbraw/zinc/54/55/36/569545536.db2.gz XKKKPDRIWWKYJO-KUHUBIRLSA-N 0 1 430.936 4.264 50 0 IIAAMN COCCNC(=O)CSc1[nH]c(-c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000009674144 569559101 /nfs/dbraw/zinc/55/91/01/569559101.db2.gz JJLDFSNNQFYZLR-UHFFFAOYSA-N 0 1 446.370 4.361 50 0 IIAAMN COCCCNC(=O)CSc1nc(-c2cccc(OC)c2)[nH]c1-c1ccc(OC)cc1 ZINC000009674173 569559173 /nfs/dbraw/zinc/55/91/73/569559173.db2.gz XTZWRBVXKHLIRM-UHFFFAOYSA-N 0 1 441.553 4.006 50 0 IIAAMN COc1ccccc1Nc1c2cc(NC(=O)CN3CCOCC3)ccc2nc2c1CCCC2 ZINC000009777113 569567194 /nfs/dbraw/zinc/56/71/94/569567194.db2.gz KWZFDJSSDZHDEC-UHFFFAOYSA-N 0 1 446.551 4.137 50 0 IIAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000009778236 569567241 /nfs/dbraw/zinc/56/72/41/569567241.db2.gz BIMOQOBYTNXUNX-YADHBBJMSA-N 0 1 446.890 4.491 50 0 IIAAMN COc1cccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)cc2C)c1 ZINC000009913325 569573323 /nfs/dbraw/zinc/57/33/23/569573323.db2.gz ZOUUQMLLPPYPOD-XZOQPEGZSA-N 0 1 426.472 4.065 50 0 IIAAMN CCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000009942125 569574006 /nfs/dbraw/zinc/57/40/06/569574006.db2.gz ZVYVJONUIGRXOJ-UHFFFAOYSA-N 0 1 436.556 4.458 50 0 IIAAMN Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(O)c12 ZINC000010166817 569578291 /nfs/dbraw/zinc/57/82/91/569578291.db2.gz VLYKNUVMIHHQCI-UHFFFAOYSA-N 0 1 442.397 4.482 50 0 IIAAMN COc1cc(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(OC)cc1C ZINC000010274185 569580352 /nfs/dbraw/zinc/58/03/52/569580352.db2.gz RZISELOFCQWXDR-UHFFFAOYSA-N 0 1 437.521 4.436 50 0 IIAAMN Cc1cc(C)n(CCN2CCCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)n1 ZINC000077196857 569586190 /nfs/dbraw/zinc/58/61/90/569586190.db2.gz PBCYRBNHZHNAAA-UHFFFAOYSA-N 0 1 429.008 4.200 50 0 IIAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=S)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc12 ZINC000004907883 132274589 /nfs/dbraw/zinc/27/45/89/132274589.db2.gz WUHRWVTZXWAERM-DJPFJPOOSA-N 0 1 425.646 4.406 50 0 IIAAMN O=C(c1cccs1)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000008608651 132287585 /nfs/dbraw/zinc/28/75/85/132287585.db2.gz YEPSXRPIMPALPZ-UHFFFAOYSA-N 0 1 434.489 4.420 50 0 IIAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000009908008 132331603 /nfs/dbraw/zinc/33/16/03/132331603.db2.gz NVWYBWXSUMGMJB-UHFFFAOYSA-N 0 1 436.339 4.174 50 0 IIAAMN Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccccc2N2CCN(C)CC2)n1 ZINC000009983125 132333472 /nfs/dbraw/zinc/33/34/72/132333472.db2.gz VNUXLFWTPXDOBU-UHFFFAOYSA-N 0 1 447.608 4.390 50 0 IIAAMN O=C(c1cccs1)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 ZINC000011787101 132339682 /nfs/dbraw/zinc/33/96/82/132339682.db2.gz JEISBWNCXMMFAP-UHFFFAOYSA-N 0 1 433.577 4.105 50 0 IIAAMN CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(CC)CC2)cc1 ZINC000013838378 132354910 /nfs/dbraw/zinc/35/49/10/132354910.db2.gz SBZUDCXOWKVUGX-UHFFFAOYSA-N 0 1 439.556 4.046 50 0 IIAAMN CCOC(=O)C1CCN(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000012140158 520577861 /nfs/dbraw/zinc/57/78/61/520577861.db2.gz OQFBPFAKZYIRQI-ULCRDSCMSA-N 0 1 441.612 4.169 50 0 IIAAMN CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cccn3-c3ccccn3)CC2)[C@H]1OC ZINC000012151830 521182892 /nfs/dbraw/zinc/18/28/92/521182892.db2.gz HJWBZSRCUSQUCN-FTJBHMTQSA-N 0 1 444.579 4.002 50 0 IIAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020678005 521629284 /nfs/dbraw/zinc/62/92/84/521629284.db2.gz IVGOGKFZKBTCHV-UHFFFAOYSA-N 0 1 439.991 4.490 50 0 IIAAMN CCN1CCN(c2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)CC1 ZINC000012549153 521699941 /nfs/dbraw/zinc/69/99/41/521699941.db2.gz RTQPFSSFQQWBRJ-UHFFFAOYSA-N 0 1 447.558 4.284 50 0 IIAAMN COc1cc(-c2n[nH]cc2CN(C)Cc2nc3ccc(Cl)cc3[nH]2)cc(OC)c1OC ZINC000012302004 521900769 /nfs/dbraw/zinc/90/07/69/521900769.db2.gz ONYAPSFNDMSXBQ-UHFFFAOYSA-N 0 1 441.919 4.264 50 0 IIAAMN CCc1nc(-c2csc(S(=O)(=O)Nc3ccc(Br)cc3F)c2)no1 ZINC000021702082 522153222 /nfs/dbraw/zinc/15/32/22/522153222.db2.gz OHYGWRXBKZURQB-UHFFFAOYSA-N 0 1 432.296 4.063 50 0 IIAAMN CCc1nc2sc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCC3)c(C)c2c(C)n1 ZINC000012909079 522535223 /nfs/dbraw/zinc/53/52/23/522535223.db2.gz FQYSZQFDXXTZJS-LJQANCHMSA-N 0 1 438.597 4.446 50 0 IIAAMN CCn1cc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)cn1 ZINC000012316745 523368429 /nfs/dbraw/zinc/36/84/29/523368429.db2.gz SJOLDLOIVRGCCX-UHFFFAOYSA-N 0 1 428.540 4.297 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(F)cc1)=N2 ZINC000035372785 523786561 /nfs/dbraw/zinc/78/65/61/523786561.db2.gz OZPFUEAWQIVNNS-UHFFFAOYSA-N 0 1 446.498 4.099 50 0 IIAAMN COCCNC(=O)c1ccc(OC2CCN(C/C=C/c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000012746932 523926466 /nfs/dbraw/zinc/92/64/66/523926466.db2.gz BQWLIMMRHHJFHW-NSCUHMNNSA-N 0 1 446.950 4.412 50 0 IIAAMN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)c(OC)c1 ZINC000012716298 524048347 /nfs/dbraw/zinc/04/83/47/524048347.db2.gz VVQHLAYSHQSJDG-HXUWFJFHSA-N 0 1 438.568 4.215 50 0 IIAAMN COc1ccccc1-c1cn2c(C(=O)N(C)Cc3n[nH]c4c3CCCCC4)csc2n1 ZINC000012314069 524273587 /nfs/dbraw/zinc/27/35/87/524273587.db2.gz RLOOTWBYSDWZTD-UHFFFAOYSA-N 0 1 435.553 4.336 50 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CCc1nc(SCc2noc(CCC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)n2)n[nH]1 ZINC000033270858 557047786 /nfs/dbraw/zinc/04/77/86/557047786.db2.gz CEXSVBIKJWTFJN-UHFFFAOYSA-N 0 1 446.536 4.185 50 0 IIAAMN CCc1n[nH]c(SCc2noc(CCC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)n2)n1 ZINC000033270858 557047789 /nfs/dbraw/zinc/04/77/89/557047789.db2.gz CEXSVBIKJWTFJN-UHFFFAOYSA-N 0 1 446.536 4.185 50 0 IIAAMN COc1ccc(NC(=O)CCc2nc(CSc3nc4ccc(Cl)cc4[nH]3)no2)cc1 ZINC000033270995 557048604 /nfs/dbraw/zinc/04/86/04/557048604.db2.gz RUIJESMKVCIIDF-UHFFFAOYSA-N 0 1 443.916 4.472 50 0 IIAAMN Cc1cccn2c(=O)cc(CN(C)[C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)nc12 ZINC000022969717 557055195 /nfs/dbraw/zinc/05/51/95/557055195.db2.gz ILIWKDIWZNFNPE-IBGZPJMESA-N 0 1 426.520 4.448 50 0 IIAAMN O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1 ZINC000023339700 557085560 /nfs/dbraw/zinc/08/55/60/557085560.db2.gz LBSKZTXUDXMPBZ-FQEVSTJZSA-N 0 1 447.604 4.326 50 0 IIAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)sc(C)c2-c2n[nH]c(C)c2C)c1 ZINC000033306723 557086111 /nfs/dbraw/zinc/08/61/11/557086111.db2.gz KTZQWUOCKJGABQ-UHFFFAOYSA-N 0 1 433.555 4.349 50 0 IIAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000017783693 557122270 /nfs/dbraw/zinc/12/22/70/557122270.db2.gz RHSRUBXZYIKUKT-VXNXHJTFSA-N 0 1 428.488 4.363 50 0 IIAAMN Cc1sc2nc(CN3CCOCC3)nc(Sc3nc4ccc(C)cc4[nH]3)c2c1C ZINC000023983201 557129665 /nfs/dbraw/zinc/12/96/65/557129665.db2.gz QNKFZFPMTLYMDZ-UHFFFAOYSA-N 0 1 425.583 4.476 50 0 IIAAMN CCN(CC)[C@@H](CNC(=O)CSc1nnc(NCc2ccccc2)s1)c1ccco1 ZINC000024852334 557174285 /nfs/dbraw/zinc/17/42/85/557174285.db2.gz WHNMMTMSRPKPBF-KRWDZBQOSA-N 0 1 445.614 4.035 50 0 IIAAMN O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000024887243 557177039 /nfs/dbraw/zinc/17/70/39/557177039.db2.gz ZMYQNQGAOLSSBC-UHFFFAOYSA-N 0 1 436.468 4.269 50 0 IIAAMN COc1ccccc1[C@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)N1CCCC1 ZINC000011603401 557208072 /nfs/dbraw/zinc/20/80/72/557208072.db2.gz PLVAQSVGZSDUGT-QFIPXVFZSA-N 0 1 448.567 4.006 50 0 IIAAMN Cc1c(C(=O)Nn2cnc3scc(-c4ccccc4)c3c2=O)cnn1-c1ccccc1F ZINC000026260297 557238436 /nfs/dbraw/zinc/23/84/36/557238436.db2.gz AWNKPRQRDLAZES-UHFFFAOYSA-N 0 1 445.479 4.142 50 0 IIAAMN O=C([C@@H](c1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCCC1 ZINC000014077706 557300537 /nfs/dbraw/zinc/30/05/37/557300537.db2.gz GNSOOBUSHOLPIK-JOCHJYFZSA-N 0 1 446.517 4.366 50 0 IIAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(=O)NC3CCCC3)n2)cc1 ZINC000014166810 557313239 /nfs/dbraw/zinc/31/32/39/557313239.db2.gz LDCRXDCPXOCSOJ-UHFFFAOYSA-N 0 1 435.553 4.183 50 0 IIAAMN COCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126255 557324654 /nfs/dbraw/zinc/32/46/54/557324654.db2.gz APXDTBDKPTZLLT-UHFFFAOYSA-N 0 1 436.943 4.300 50 0 IIAAMN COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126255 557324657 /nfs/dbraw/zinc/32/46/57/557324657.db2.gz APXDTBDKPTZLLT-UHFFFAOYSA-N 0 1 436.943 4.300 50 0 IIAAMN COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102706714 557366966 /nfs/dbraw/zinc/36/69/66/557366966.db2.gz RHSRUBXZYIKUKT-RBZQAINGSA-N 0 1 428.488 4.363 50 0 IIAAMN COc1ccc(-c2n[nH]c(SCC(=O)c3ccc(OC)c(Br)c3)n2)cc1 ZINC000008587533 562950348 /nfs/dbraw/zinc/95/03/48/562950348.db2.gz OJAHWELPLUCKAZ-UHFFFAOYSA-N 0 1 434.315 4.226 50 0 IIAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000001099430 568659019 /nfs/dbraw/zinc/65/90/19/568659019.db2.gz IFLFLCXYCIZPSR-UHFFFAOYSA-N 0 1 427.482 4.149 50 0 IIAAMN CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000032538551 568812756 /nfs/dbraw/zinc/81/27/56/568812756.db2.gz XNXXXWJYKZRVEA-OAHLLOKOSA-N 0 1 434.993 4.201 50 0 IIAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000015730522 568814188 /nfs/dbraw/zinc/81/41/88/568814188.db2.gz DJSKCTOREYDKMA-CYBMUJFWSA-N 0 1 436.555 4.108 50 0 IIAAMN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3cc(C)ccc3NC(C)=O)ccc2s1 ZINC000015870428 568851564 /nfs/dbraw/zinc/85/15/64/568851564.db2.gz NMFMLQVQJNCGOG-UHFFFAOYSA-N 0 1 446.554 4.103 50 0 IIAAMN COc1ccccc1-c1coc2c3c(cc(=O)c-2c1O)OC(=O)C[C@@H]3c1ccc(O)cc1 ZINC000524730208 568903943 /nfs/dbraw/zinc/90/39/43/568903943.db2.gz ZTDPKPSBFYBSBL-MRXNPFEDSA-N 0 1 430.412 4.321 50 0 biogenic IIAAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(CCCc2ccccc2)C1=O ZINC000016534106 568920576 /nfs/dbraw/zinc/92/05/76/568920576.db2.gz QNIRQKMEXQNRRS-ZHZULCJRSA-N 0 1 436.899 4.065 50 0 IIAAMN CCOC(=O)[C@@H]1CCC[N@H+]([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Cl)c2)C1 ZINC000016690067 568938538 /nfs/dbraw/zinc/93/85/38/568938538.db2.gz UKTKRCWHPLYNAO-PBHICJAKSA-N 0 1 448.976 4.077 50 0 IIAAMN CCCN1CCN(C(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000064677246 568944050 /nfs/dbraw/zinc/94/40/50/568944050.db2.gz QAYVYPICDXWJCP-UHFFFAOYSA-N 0 1 428.989 4.486 50 0 IIAAMN COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COC(C)C)C2)cc1 ZINC000036146214 568962021 /nfs/dbraw/zinc/96/20/21/568962021.db2.gz UIFVZWRJBBORRM-GMAHTHKFSA-N 0 1 446.975 4.130 50 0 IIAAMN CC(C)OC[C@@H](O)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146126 568962260 /nfs/dbraw/zinc/96/22/60/568962260.db2.gz VDEXVGMLLYYPSC-VXKWHMMOSA-N 0 1 434.939 4.260 50 0 IIAAMN Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@@H](O)COc3ccccc3)n2)cc1 ZINC000036147595 568962494 /nfs/dbraw/zinc/96/24/94/568962494.db2.gz SNXWKEXLHJSYGH-OAQYLSRUSA-N 0 1 433.508 4.123 50 0 IIAAMN CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677192 568989414 /nfs/dbraw/zinc/98/94/14/568989414.db2.gz UAIBOGHGWSUOOW-UNMCSNQZSA-N 0 1 449.492 4.232 50 0 IIAAMN CCC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036309377 568995916 /nfs/dbraw/zinc/99/59/16/568995916.db2.gz MHHOBLVUYIZPRQ-UNMCSNQZSA-N 0 1 444.641 4.353 50 0 IIAAMN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc21 ZINC000064951945 568997119 /nfs/dbraw/zinc/99/71/19/568997119.db2.gz HDWOUIUIXKXNKS-UHFFFAOYSA-N 0 1 430.473 4.355 50 0 IIAAMN CC1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341804 569078929 /nfs/dbraw/zinc/07/89/29/569078929.db2.gz VTDLVXUQRPQHCJ-OAQYLSRUSA-N 0 1 439.943 4.478 50 0 IIAAMN COC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346645 569081445 /nfs/dbraw/zinc/08/14/45/569081445.db2.gz CFNGMVSIQILMIM-NRFANRHFSA-N 0 1 445.510 4.469 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc(-c3nnc(-c4ccccc4)o3)ccc2OC)cc1 ZINC000064988090 569082809 /nfs/dbraw/zinc/08/28/09/569082809.db2.gz IDWZIKYXCFJCPA-UHFFFAOYSA-N 0 1 437.477 4.222 50 0 IIAAMN CCCN1c2ccc(C(=O)N3CCN(CC(C)C)CC3)cc2Sc2ncccc2C1=O ZINC000065241399 569121011 /nfs/dbraw/zinc/12/10/11/569121011.db2.gz HDDSASVUJONYRP-UHFFFAOYSA-N 0 1 438.597 4.017 50 0 IIAAMN Cc1cc(NC(=O)CC(C)(C)C)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[nH]2)n1 ZINC000016847656 569164103 /nfs/dbraw/zinc/16/41/03/569164103.db2.gz DRSGDGIAGXSYAC-UHFFFAOYSA-N 0 1 433.516 4.007 50 0 IIAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NCCCc1ccccc1 ZINC000089830674 569165610 /nfs/dbraw/zinc/16/56/10/569165610.db2.gz RRWQQCHQVAKZMF-UHFFFAOYSA-N 0 1 427.592 4.143 50 0 IIAAMN COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)cc1 ZINC000016891204 569165789 /nfs/dbraw/zinc/16/57/89/569165789.db2.gz CXFQUJKJPAFMSN-IBVKSMDESA-N 0 1 449.620 4.367 50 0 IIAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 ZINC000017010264 569170232 /nfs/dbraw/zinc/17/02/32/569170232.db2.gz GSGVYHIEWCBPFZ-UHFFFAOYSA-N 0 1 440.521 4.299 50 0 IIAAMN CCCCNC(=O)CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S ZINC000002973791 569213021 /nfs/dbraw/zinc/21/30/21/569213021.db2.gz SGJICFGKLLQPPU-UHFFFAOYSA-N 0 1 426.380 4.298 50 0 IIAAMN COc1cccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)c1 ZINC000027522933 569262757 /nfs/dbraw/zinc/26/27/57/569262757.db2.gz VESKUDXFZRDARF-PKTZIBPZSA-N 0 1 426.472 4.065 50 0 IIAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)N1CCCC(C)(C)C1 ZINC000002309841 569272226 /nfs/dbraw/zinc/27/22/26/569272226.db2.gz SMACRVBEYMLSPN-LBPRGKRZSA-N 0 1 436.350 4.166 50 0 IIAAMN COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)c1C2 ZINC000252497961 569288028 /nfs/dbraw/zinc/28/80/28/569288028.db2.gz QSCZWQBFAOMRMO-LJQANCHMSA-N 0 1 443.507 4.242 50 0 IIAAMN CCOc1ccc(C(=O)Nc2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)cc1 ZINC000078878770 569320035 /nfs/dbraw/zinc/32/00/35/569320035.db2.gz VNQGXLKOFMVJPC-UHFFFAOYSA-N 0 1 437.500 4.147 50 0 IIAAMN CCOc1ccc(C(=O)Nc2ccc(-c3nc(CNC(=O)OC(C)(C)C)n[nH]3)cc2)cc1 ZINC000078878770 569320036 /nfs/dbraw/zinc/32/00/36/569320036.db2.gz VNQGXLKOFMVJPC-UHFFFAOYSA-N 0 1 437.500 4.147 50 0 IIAAMN Cn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000019830626 569330199 /nfs/dbraw/zinc/33/01/99/569330199.db2.gz ZZQMVMKYDPIZIC-UHFFFAOYSA-N 0 1 439.563 4.143 50 0 IIAAMN O[C@H](CSc1ccc(Br)cc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020385312 569362985 /nfs/dbraw/zinc/36/29/85/569362985.db2.gz URQSEINTYIXSLY-SFHVURJKSA-N 0 1 441.822 4.378 50 0 IIAAMN O=C(c1cccnc1Oc1cccnc1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000095993295 569378361 /nfs/dbraw/zinc/37/83/61/569378361.db2.gz YHPWWEHHOWOVDZ-GOSISDBHSA-N 0 1 426.480 4.074 50 0 IIAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)/C=C/c2ccco2)c1 ZINC000057222744 569430074 /nfs/dbraw/zinc/43/00/74/569430074.db2.gz IHJGJLBIYNHDJL-ZRDIBKRKSA-N 0 1 445.519 4.040 50 0 IIAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(F)c2)c1 ZINC000057222811 569430176 /nfs/dbraw/zinc/43/01/76/569430176.db2.gz ITRYKYBYLVYZSE-UHFFFAOYSA-N 0 1 447.510 4.187 50 0 IIAAMN CCc1cccc(CC)c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000003265252 569443373 /nfs/dbraw/zinc/44/33/73/569443373.db2.gz SYYCBZUIKAKULS-UHFFFAOYSA-N 0 1 441.582 4.211 50 0 IIAAMN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032095029 569459861 /nfs/dbraw/zinc/45/98/61/569459861.db2.gz CRTRCUVLTFEXFJ-FQEVSTJZSA-N 0 1 432.446 4.228 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)N2CCCC2)cc1 ZINC000008707910 569470606 /nfs/dbraw/zinc/47/06/06/569470606.db2.gz BOVOZWZKCPXOPN-QFIPXVFZSA-N 0 1 433.508 4.107 50 0 IIAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000008845569 569478852 /nfs/dbraw/zinc/47/88/52/569478852.db2.gz HYRFREULVYQHQU-HSZRJFAPSA-N 0 1 431.448 4.143 50 0 IIAAMN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000008881145 569482899 /nfs/dbraw/zinc/48/28/99/569482899.db2.gz MIDLPEMOZTUROH-AREMUKBSSA-N 0 1 441.575 4.437 50 0 IIAAMN O=C(NC[C@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008893366 569483557 /nfs/dbraw/zinc/48/35/57/569483557.db2.gz UCJSIXPDEBPXDB-GOSISDBHSA-N 0 1 439.503 4.439 50 0 IIAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961475 569491098 /nfs/dbraw/zinc/49/10/98/569491098.db2.gz DKAIIUVBKDKSLS-UHFFFAOYSA-N 0 1 438.505 4.495 50 0 IIAAMN CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1nc2ccc(OCC)cc2s1)C(F)(F)F ZINC000008997062 569495893 /nfs/dbraw/zinc/49/58/93/569495893.db2.gz MMUKUAVSOPTWAW-GOSISDBHSA-N 0 1 447.479 4.091 50 0 IIAAMN CC1(C)[C@H](OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000244942675 569496470 /nfs/dbraw/zinc/49/64/70/569496470.db2.gz CUOSKCZUEOACLV-DEXHYYOUSA-N 0 1 440.550 4.420 50 0 IIAAMN CC(=O)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000009086408 569500593 /nfs/dbraw/zinc/50/05/93/569500593.db2.gz RQHUNEUQRSPJPB-HQQJGFCBSA-N 0 1 434.495 4.249 50 0 IIAAMN COc1cccc(CN(C[C@@H](O)Cc2ccccc2)C[C@H]2CC(c3ccccc3F)=NO2)c1 ZINC000245280445 569502159 /nfs/dbraw/zinc/50/21/59/569502159.db2.gz QIPZYUCOWDXPEF-LADGPHEKSA-N 0 1 448.538 4.433 50 0 IIAAMN Nc1c(NC(=O)N2CCN(C3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccc(F)cc1 ZINC000040426310 569503001 /nfs/dbraw/zinc/50/30/01/569503001.db2.gz VLXDMQDSEHWTRW-UHFFFAOYSA-N 0 1 448.546 4.353 50 0 IIAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)OCC(C)C)ccc1N1CCCC1 ZINC000009157191 569508389 /nfs/dbraw/zinc/50/83/89/569508389.db2.gz CUSUEJIBQMTXCY-UHFFFAOYSA-N 0 1 447.557 4.301 50 0 IIAAMN CCCN1c2ccc(NS(=O)(=O)c3cc(C)ccc3OCC)cc2OCC(C)(C)C1=O ZINC000009167737 569509078 /nfs/dbraw/zinc/50/90/78/569509078.db2.gz NDAMPUBPNWXWMZ-UHFFFAOYSA-N 0 1 446.569 4.356 50 0 IIAAMN CC(=O)[C@@H]1C(=C(O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3ccccc3N21 ZINC000009193790 569510906 /nfs/dbraw/zinc/51/09/06/569510906.db2.gz OJNVTMSOKHBJLS-KALPRAJFSA-N 0 1 449.510 4.034 50 0 IIAAMN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(OC(C)C)cc1)N(CCN(C)C)C3=O ZINC000009328264 569522792 /nfs/dbraw/zinc/52/27/92/569522792.db2.gz KSMPGJGSFYFIPD-QHCPKHFHSA-N 0 1 434.536 4.304 50 0 IIAAMN COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009409037 569530777 /nfs/dbraw/zinc/53/07/77/569530777.db2.gz JWNUJBLHEWFXFD-XMMPIXPASA-N 0 1 435.524 4.399 50 0 IIAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000009408988 569530833 /nfs/dbraw/zinc/53/08/33/569530833.db2.gz PTLRKAVCZOHVCP-QHCPKHFHSA-N 0 1 431.448 4.225 50 0 IIAAMN COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000009409038 569530835 /nfs/dbraw/zinc/53/08/35/569530835.db2.gz JWNUJBLHEWFXFD-DEOSSOPVSA-N 0 1 435.524 4.399 50 0 IIAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccco2)ccc1O ZINC000009408987 569530849 /nfs/dbraw/zinc/53/08/49/569530849.db2.gz PTLRKAVCZOHVCP-HSZRJFAPSA-N 0 1 431.448 4.225 50 0 IIAAMN COc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)c(OC)c1 ZINC000009685365 569560648 /nfs/dbraw/zinc/56/06/48/569560648.db2.gz JEZMAADUPUKXBI-UHFFFAOYSA-N 0 1 442.537 4.449 50 0 IIAAMN CCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3F)s2)on1 ZINC000009688966 569560879 /nfs/dbraw/zinc/56/08/79/569560879.db2.gz NZKBIFBHWJCWLH-UHFFFAOYSA-N 0 1 430.866 4.173 50 0 IIAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009767280 569566916 /nfs/dbraw/zinc/56/69/16/569566916.db2.gz XPFHNQXAXTXSSS-HSZRJFAPSA-N 0 1 441.535 4.153 50 0 IIAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000078265938 569586620 /nfs/dbraw/zinc/58/66/20/569586620.db2.gz XNHNPQPOZAUXIW-KOSHJBKYSA-N 0 1 444.922 4.475 50 0 IIAAMN CC(C)CN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21 ZINC000008840822 132295903 /nfs/dbraw/zinc/29/59/03/132295903.db2.gz JJEJZIOKUSNSAR-UHFFFAOYSA-N 0 1 437.359 4.185 50 0 IIAAMN Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000011853296 132340580 /nfs/dbraw/zinc/34/05/80/132340580.db2.gz FIXFPKYCCGUKJU-UHFFFAOYSA-N 0 1 438.959 4.246 50 0 IIAAMN CC(=O)c1cccc(NC(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000012892406 518429847 /nfs/dbraw/zinc/42/98/47/518429847.db2.gz FJVJNRVEMYIXSC-UHFFFAOYSA-N 0 1 429.428 4.386 50 0 biogenic IIAAMN CC(C)Cn1c(CNC(=O)c2[nH]nc3c2CCC3)nnc1SCc1ccccc1Cl ZINC000012100113 519486665 /nfs/dbraw/zinc/48/66/65/519486665.db2.gz RRHQIAVSYTVJGJ-UHFFFAOYSA-N 0 1 444.992 4.022 50 0 IIAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000012522626 521698770 /nfs/dbraw/zinc/69/87/70/521698770.db2.gz QQTZYUKTELCTDF-GOSISDBHSA-N 0 1 440.975 4.012 50 0 IIAAMN COc1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)ccc1O ZINC000012465863 522368696 /nfs/dbraw/zinc/36/86/96/522368696.db2.gz TVAXJVDWRUONRQ-UHFFFAOYSA-N 0 1 440.931 4.340 50 0 IIAAMN COc1cc(NC(=O)NCC2CCN(Cc3cccc(Cl)c3)CC2)cc(OC)c1OC ZINC000021175018 522692886 /nfs/dbraw/zinc/69/28/86/522692886.db2.gz GPYYLAYMHOGMLF-UHFFFAOYSA-N 0 1 447.963 4.400 50 0 IIAAMN COc1cc2cc(CNCc3cccnc3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000012190332 523059577 /nfs/dbraw/zinc/05/95/77/523059577.db2.gz WTSNEMHBPQUNJT-UHFFFAOYSA-N 0 1 429.520 4.060 50 0 IIAAMN CCn1c(CN[C@H](C)c2cccs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000012547191 523196309 /nfs/dbraw/zinc/19/63/09/523196309.db2.gz VFHMYXXRMWZXLV-MRXNPFEDSA-N 0 1 432.615 4.143 50 0 IIAAMN CCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000012135719 523691808 /nfs/dbraw/zinc/69/18/08/523691808.db2.gz RCJHFWWHMXNDNW-UHFFFAOYSA-N 0 1 449.620 4.223 50 0 IIAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccccc1)=N2 ZINC000035372705 523786621 /nfs/dbraw/zinc/78/66/21/523786621.db2.gz JCLBOFCFKJXOPL-UHFFFAOYSA-N 0 1 444.963 4.474 50 0 IIAAMN CCc1ccc(-c2cc(C(=O)Nc3sc(Nc4ccc(C)cc4)nc3C(N)=O)[nH]n2)cc1 ZINC000021943496 523852938 /nfs/dbraw/zinc/85/29/38/523852938.db2.gz ACOWWBUALGKUFW-UHFFFAOYSA-N 0 1 446.536 4.499 50 0 IIAAMN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)c(OC)c1 ZINC000012440755 524048219 /nfs/dbraw/zinc/04/82/19/524048219.db2.gz ZCOANTGMPCLEBU-KRWDZBQOSA-N 0 1 432.511 4.291 50 0 IIAAMN Cc1ccc(C)c(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022595932 524179556 /nfs/dbraw/zinc/17/95/56/524179556.db2.gz DPYFJHYNWKIXFC-SANMLTNESA-N 0 1 430.592 4.450 50 0 IIAAMN COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc(OC)c(OC)c3)nc21 ZINC000012345211 524187965 /nfs/dbraw/zinc/18/79/65/524187965.db2.gz XLKWXHZUDDVQQG-UHFFFAOYSA-N 0 1 449.960 4.184 50 0 IIAAMN COc1ccccc1CNC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012304387 524482695 /nfs/dbraw/zinc/48/26/95/524482695.db2.gz KGLLBGOUNHXQQA-UHFFFAOYSA-N 0 1 431.536 4.064 50 0 IIAAMN Cc1cccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000022467419 524755252 /nfs/dbraw/zinc/75/52/52/524755252.db2.gz KUEMTKKUVLZVIY-SANMLTNESA-N 0 1 430.592 4.450 50 0 IIAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000023399565 524880297 /nfs/dbraw/zinc/88/02/97/524880297.db2.gz XOVWLAVEGBMARQ-UHFFFAOYSA-N 0 1 427.482 4.149 50 0 IIAAMN Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012789190 525787005 /nfs/dbraw/zinc/78/70/05/525787005.db2.gz AMLFNAWPGHQWGU-OAQYLSRUSA-N 0 1 435.597 4.260 50 0 IIAAMN Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN2CCC(O)(c3cccnc3)CC2)o1 ZINC000020868215 525839808 /nfs/dbraw/zinc/83/98/08/525839808.db2.gz SKDFPOMKAOMQRT-UHFFFAOYSA-N 0 1 432.499 4.458 50 0 IIAAMN O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012557169 526492884 /nfs/dbraw/zinc/49/28/84/526492884.db2.gz XWFBNJNPZGUXIB-DEOSSOPVSA-N 0 1 449.576 4.054 50 0 IIAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 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YVDRJRMZPPGEPF-UHFFFAOYSA-N 0 1 433.947 4.083 50 0 IIAAMN CN1CCN(c2ccccc2NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)CC1 ZINC000009236263 536424478 /nfs/dbraw/zinc/42/44/78/536424478.db2.gz RSMGQILAHRAPBK-UHFFFAOYSA-N 0 1 439.515 4.464 50 0 IIAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1Oc1ccccc1 ZINC000000917392 555583743 /nfs/dbraw/zinc/58/37/43/555583743.db2.gz XHOKLZASWGDNPO-UHFFFAOYSA-N 0 1 446.488 4.322 50 0 IIAAMN COc1ccc(-c2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1 ZINC000001040941 555609636 /nfs/dbraw/zinc/60/96/36/555609636.db2.gz XIZCOFUFUSTGRL-UHFFFAOYSA-N 0 1 432.505 4.202 50 0 IIAAMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000001073051 555622277 /nfs/dbraw/zinc/62/22/77/555622277.db2.gz TUGNYSWWNSCOAW-UHFFFAOYSA-N 0 1 426.494 4.065 50 0 IIAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(Br)c3)C2)CC1 ZINC000034676425 555794391 /nfs/dbraw/zinc/79/43/91/555794391.db2.gz OBURLRVQIODQMX-OAQYLSRUSA-N 0 1 442.401 4.184 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)C1CCCCC1 ZINC000034831205 555912261 /nfs/dbraw/zinc/91/22/61/555912261.db2.gz XAOJKYXHEHHTPQ-UHFFFAOYSA-N 0 1 437.632 4.251 50 0 IIAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)c1ccccc1C ZINC000034831208 555912264 /nfs/dbraw/zinc/91/22/64/555912264.db2.gz BCSIETZNLOZFHX-UHFFFAOYSA-N 0 1 445.611 4.293 50 0 IIAAMN CC(C)[C@@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc2c(c1)OCCCO2 ZINC000014066571 556359152 /nfs/dbraw/zinc/35/91/52/556359152.db2.gz JCNHBOUGKUMTMU-LJQANCHMSA-N 0 1 444.582 4.300 50 0 IIAAMN COc1cccc(OCc2cc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)no2)c1 ZINC000011818994 556360969 /nfs/dbraw/zinc/36/09/69/556360969.db2.gz VAUMHTPATODDGA-UHFFFAOYSA-N 0 1 426.860 4.064 50 0 IIAAMN CCn1cc(CN2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)c(C)n1 ZINC000011910867 556374941 /nfs/dbraw/zinc/37/49/41/556374941.db2.gz XFHNBPSMKVDRNU-DEOSSOPVSA-N 0 1 434.628 4.442 50 0 IIAAMN COc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)N2CCCC2)cc1 ZINC000014141767 556376744 /nfs/dbraw/zinc/37/67/44/556376744.db2.gz VJFSPGPJIVWQAO-VWLOTQADSA-N 0 1 446.595 4.432 50 0 IIAAMN COc1ccc(F)c(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c1 ZINC000011934609 556377532 /nfs/dbraw/zinc/37/75/32/556377532.db2.gz XZAPMQXCUSVKMN-UHFFFAOYSA-N 0 1 426.467 4.259 50 0 IIAAMN CN(CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC000027906659 556434974 /nfs/dbraw/zinc/43/49/74/556434974.db2.gz FCODSWXMOYDNTN-UYAOXDASSA-N 0 1 431.458 4.302 50 0 IIAAMN CCCCOc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1 ZINC000028287448 556447957 /nfs/dbraw/zinc/44/79/57/556447957.db2.gz VFYJOKMZSDQWIG-HSZRJFAPSA-N 0 1 429.992 4.237 50 0 IIAAMN Cc1ccc(-c2nsc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)n2)s1 ZINC000028291175 556449754 /nfs/dbraw/zinc/44/97/54/556449754.db2.gz VQELTGCSFGUDHF-UHFFFAOYSA-N 0 1 426.479 4.254 50 0 IIAAMN O=C(COc1ccc(Cl)cc1Br)NC[C@@H](c1ccco1)N1CCCC1 ZINC000013101303 556460510 /nfs/dbraw/zinc/46/05/10/556460510.db2.gz XEIKLIBXIDFFRZ-HNNXBMFYSA-N 0 1 427.726 4.028 50 0 IIAAMN COc1ccc(Br)cc1/C=C/C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000029938956 556487047 /nfs/dbraw/zinc/48/70/47/556487047.db2.gz MYHODZKYHLJXFC-HKMNZKMDSA-N 0 1 433.346 4.407 50 0 IIAAMN O=C(NC[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1)c1ccc2c(c1)OCO2 ZINC000015077847 556499832 /nfs/dbraw/zinc/49/98/32/556499832.db2.gz KHRXEFUZHQGSHT-KRWDZBQOSA-N 0 1 435.549 4.181 50 0 IIAAMN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N=[S@@](C)(=O)c1ccccc1 ZINC000013466249 556507218 /nfs/dbraw/zinc/50/72/18/556507218.db2.gz JNPRESHTVBSTHN-NDEPHWFRSA-N 0 1 433.942 4.475 50 0 IIAAMN Cc1cc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)ccc1N1CCN(C)CC1 ZINC000032882296 556509069 /nfs/dbraw/zinc/50/90/69/556509069.db2.gz ZGYFRCQMPDDZBN-UHFFFAOYSA-N 0 1 440.494 4.251 50 0 IIAAMN COc1cc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccccc1Cl ZINC000032899230 556524568 /nfs/dbraw/zinc/52/45/68/556524568.db2.gz BWCYRTWFHFKYHP-HDICACEKSA-N 0 1 446.975 4.157 50 0 IIAAMN COc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccc(Cl)cc1 ZINC000032899235 556528253 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CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)n[nH]2)cc1 ZINC000072331243 556730071 /nfs/dbraw/zinc/73/00/71/556730071.db2.gz ZYLNZQDUTGLSCP-UHFFFAOYSA-N 0 1 434.540 4.227 50 0 IIAAMN FC(F)(F)c1cccc(Cc2noc(CN3CCCN(Cc4cccs4)CC3)n2)c1 ZINC000019339787 556739765 /nfs/dbraw/zinc/73/97/65/556739765.db2.gz NGQJSKCQEBGWIG-UHFFFAOYSA-N 0 1 436.503 4.449 50 0 IIAAMN O=C1c2cccc(N3CCN(Cc4ccccc4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000055343344 556740435 /nfs/dbraw/zinc/74/04/35/556740435.db2.gz ZVFZCLQAGROYNB-UHFFFAOYSA-N 0 1 445.950 4.458 50 0 IIAAMN O=C(COc1coc(CN2CCCCCC2)cc1=O)Nc1cc(Cl)ccc1Cl ZINC000072403861 556829748 /nfs/dbraw/zinc/82/97/48/556829748.db2.gz RFLJNJSLIXVPTH-UHFFFAOYSA-N 0 1 425.312 4.340 50 0 IIAAMN Cc1ccc(CCNC(=O)[C@@H]2CCCN(c3nc4ccc(Br)cc4[nH]3)C2)cc1 ZINC000033071292 556851555 /nfs/dbraw/zinc/85/15/55/556851555.db2.gz KLNICUFKGBEVCI-QGZVFWFLSA-N 0 1 441.373 4.209 50 0 IIAAMN O=C(CCN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000019853081 556930896 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50 0 IIAAMN O=C(NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1)c1ccccc1Cl ZINC000049406823 557102307 /nfs/dbraw/zinc/10/23/07/557102307.db2.gz ITUBKSNJXDHUJR-UHFFFAOYSA-N 0 1 443.334 4.418 50 0 IIAAMN COc1ccc([C@H](C)NCC(=O)N(Cc2ccco2)CC(F)(F)F)cc1Br ZINC000049609527 557115520 /nfs/dbraw/zinc/11/55/20/557115520.db2.gz MJSUEQPVFDKLGN-LBPRGKRZSA-N 0 1 449.267 4.292 50 0 IIAAMN COc1ccc([C@@H](C)NCC(=O)N(Cc2ccco2)CC(F)(F)F)cc1Br ZINC000049609529 557115543 /nfs/dbraw/zinc/11/55/43/557115543.db2.gz MJSUEQPVFDKLGN-GFCCVEGCSA-N 0 1 449.267 4.292 50 0 IIAAMN O=S(=O)(Nc1ccccc1-c1nnnn1C1CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000024843466 557173920 /nfs/dbraw/zinc/17/39/20/557173920.db2.gz AGJDWQZFBFKLEO-UHFFFAOYSA-N 0 1 443.838 4.148 50 0 IIAAMN COc1ccc(CCN(C)C(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1OC ZINC000000778816 557173888 /nfs/dbraw/zinc/17/38/88/557173888.db2.gz GASUXNHQYFWJHS-UHFFFAOYSA-N 0 1 430.976 4.270 50 0 IIAAMN C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000024927353 557180356 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O=C(NCc1ccc(F)cc1)[C@@H]1Cc2ccccc2N2CCN(Cc3ccccc3)C[C@H]12 ZINC000104919849 557465493 /nfs/dbraw/zinc/46/54/93/557465493.db2.gz NOLLZUXNQXRROR-AOYPEHQESA-N 0 1 429.539 4.005 50 0 IIAAMN O=C1NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000025185486 557529306 /nfs/dbraw/zinc/52/93/06/557529306.db2.gz LCOURZMLVBPXSP-UTKZUKDTSA-N 0 1 429.398 4.340 50 0 IIAAMN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000106920879 557533331 /nfs/dbraw/zinc/53/33/31/557533331.db2.gz VGTHDNVHMOVQIF-TZIWHRDSSA-N 0 1 447.501 4.489 50 0 IIAAMN CCc1ccccc1NS(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O ZINC000040450598 557734360 /nfs/dbraw/zinc/73/43/60/557734360.db2.gz ULDKMZGXSNNYEC-LBPRGKRZSA-N 0 1 437.359 4.110 50 0 IIAAMN COc1ccccc1[C@@H]1c2ccc3ccccc3c2Oc2ncn(CCN(C)C)c(=N)c21 ZINC000009348284 562969444 /nfs/dbraw/zinc/96/94/44/562969444.db2.gz CSKLCXHKHIKWDL-JOCHJYFZSA-N 0 1 426.520 4.372 50 0 IIAAMN O[C@H](COCc1ccccc1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 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COc1cccc(CN(C[C@@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146436 568962849 /nfs/dbraw/zinc/96/28/49/568962849.db2.gz NCVGVSRNJSODEI-GGAORHGYSA-N 0 1 444.547 4.006 50 0 IIAAMN Cc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](C)O)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340278 569078804 /nfs/dbraw/zinc/07/88/04/569078804.db2.gz MQYYNTZXTBRQIQ-GOSISDBHSA-N 0 1 436.987 4.199 50 0 IIAAMN COc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 ZINC000036341336 569079351 /nfs/dbraw/zinc/07/93/51/569079351.db2.gz GKSLXANXORRLRD-HSZRJFAPSA-N 0 1 439.531 4.253 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344641 569080316 /nfs/dbraw/zinc/08/03/16/569080316.db2.gz REQYEGTZUHDCOV-AREMUKBSSA-N 0 1 432.612 4.235 50 0 IIAAMN CCN1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000036345057 569080437 /nfs/dbraw/zinc/08/04/37/569080437.db2.gz CMEPTFJVCLQOLS-DEOSSOPVSA-N 0 1 439.003 4.272 50 0 IIAAMN COC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C 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