smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000002830563 845008250 /nfs/dbraw/zinc/00/82/50/845008250.db2.gz USWNLAVTSKNYBL-LDADJPATSA-N 0 1 420.852 4.164 50 10 HICAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c3c(cccc31)CC2 ZINC000004471022 845058413 /nfs/dbraw/zinc/05/84/13/845058413.db2.gz AAFZZNKNWZDMEB-ATVHPVEESA-N 0 1 418.905 4.423 50 10 HICAMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S ZINC000000658325 132230150 /nfs/dbraw/zinc/23/01/50/132230150.db2.gz FNRCSSQSANSDET-SFQUDFHCSA-N 0 1 406.438 4.225 50 10 HICAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc12 ZINC000001013584 132235031 /nfs/dbraw/zinc/23/50/31/132235031.db2.gz NOBALLHARBCBCB-GHRIWEEISA-N 0 1 420.465 4.209 50 10 HICAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(F)cc1 ZINC000004738979 132286391 /nfs/dbraw/zinc/28/63/91/132286391.db2.gz JIJUXJMTEZVDEU-RIYZIHGNSA-N 0 1 405.248 4.260 50 10 HICAMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000001125571 535963786 /nfs/dbraw/zinc/96/37/86/535963786.db2.gz YIBAEHKHSMKOCQ-UKTHLTGXSA-N 0 1 422.337 4.263 50 10 HICAMN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000000657214 537042170 /nfs/dbraw/zinc/04/21/70/537042170.db2.gz OOTBKODRYZDGRO-LDADJPATSA-N 0 1 422.893 4.333 50 10 HICAMN [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Nc2cc(-c3cccs3)nn2C2=[NH+]CCN21 ZINC000001048827 557158200 /nfs/dbraw/zinc/15/82/00/557158200.db2.gz VLDUZAGOIFYBEX-MRXNPFEDSA-N 0 1 406.298 4.268 50 10 HICAMN CCc1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1-c1ccccc1 ZINC000001135072 557200892 /nfs/dbraw/zinc/20/08/92/557200892.db2.gz IBUKSKNTQZURAG-UHFFFAOYSA-N 0 1 401.513 4.132 50 10 HICAMN Oc1cc2c(cc1CN1CCN(C(c3ccccc3)c3ccccc3)CC1)OCO2 ZINC000022038480 558459545 /nfs/dbraw/zinc/45/95/45/558459545.db2.gz IAARJVYIQRFKLF-UHFFFAOYSA-N 0 1 402.494 4.028 50 10 HICAMN CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000015684893 558748929 /nfs/dbraw/zinc/74/89/29/558748929.db2.gz LTLFPXYAISHPAS-GDNBJRDFSA-N 0 1 402.453 4.105 50 10 HICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc32)CC1 ZINC000020412387 568605552 /nfs/dbraw/zinc/60/55/52/568605552.db2.gz XUUKASPAEYYEMH-UHFFFAOYSA-N 0 1 412.917 4.265 50 10 HICAMN O=c1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c2cc(O)c([O-])cc2o1 ZINC000095466763 568624418 /nfs/dbraw/zinc/62/44/18/568624418.db2.gz JARCLXHEVKXKEJ-FQEVSTJZSA-N 0 1 423.490 4.002 50 10 HICAMN O=c1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c2cc(O)c([O-])cc2o1 ZINC000095466763 568624419 /nfs/dbraw/zinc/62/44/19/568624419.db2.gz JARCLXHEVKXKEJ-FQEVSTJZSA-N 0 1 423.490 4.002 50 10 HICAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc2c(c1)CCC2 ZINC000017248859 569276891 /nfs/dbraw/zinc/27/68/91/569276891.db2.gz AGKMMAWNUZTNRF-ZHZULCJRSA-N 0 1 413.502 4.072 50 10 HICAMN COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(OC)cc2O)C3)cc1 ZINC000055182616 849984173 /nfs/dbraw/zinc/98/41/73/849984173.db2.gz ATQNAFOIDVQMMB-UHFFFAOYSA-N 0 1 421.493 4.480 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000002305220 132252150 /nfs/dbraw/zinc/25/21/50/132252150.db2.gz XWLCVNNIXPMFGJ-DEDYPNTBSA-N 0 1 419.481 4.065 50 10 HICAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000019828023 558291285 /nfs/dbraw/zinc/29/12/85/558291285.db2.gz PKNQLGYLXMWDBN-NDENLUEZSA-N 0 1 404.445 4.448 50 10 HICAMN COCc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC ZINC000012200968 558351211 /nfs/dbraw/zinc/35/12/11/558351211.db2.gz FDHJZFNMLYGOOZ-CQSZACIVSA-N 0 1 401.457 4.465 50 10 HICAMN COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)c2=O)cc1 ZINC000020437799 558363198 /nfs/dbraw/zinc/36/31/98/558363198.db2.gz YLDNFHXYLOOKQP-HNNXBMFYSA-N 0 1 423.465 4.309 50 10 HICAMN O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000012594115 558436864 /nfs/dbraw/zinc/43/68/64/558436864.db2.gz ZXDWZVWVDAQQTK-UHFFFAOYSA-N 0 1 424.932 4.260 50 10 HICAMN CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000033332296 559063137 /nfs/dbraw/zinc/06/31/37/559063137.db2.gz OWLPWLUYXOMLTC-PTNGSMBKSA-N 0 1 403.891 4.451 50 10 HICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc32)CC1 ZINC000020605111 568636284 /nfs/dbraw/zinc/63/62/84/568636284.db2.gz SNLNXRWFKVKCEJ-UHFFFAOYSA-N 0 1 412.917 4.265 50 10 HICAMN CCOCc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c([O-])c2ncccc12 ZINC000058085642 568883867 /nfs/dbraw/zinc/88/38/67/568883867.db2.gz RCWQGUWRZNLNNX-UHFFFAOYSA-N 0 1 411.933 4.453 50 10 HICAMN CCCCc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000085879460 569009800 /nfs/dbraw/zinc/00/98/00/569009800.db2.gz FCORHIQRAZOCJR-UHFFFAOYSA-N 0 1 423.509 4.417 50 10 HICAMN CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3Cl)N3CCCCC3)ccc21 ZINC000013007724 569406656 /nfs/dbraw/zinc/40/66/56/569406656.db2.gz QGZGDWWGQKPRGO-OAQYLSRUSA-N 0 1 415.940 4.428 50 10 HICAMN Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000001146345 845002792 /nfs/dbraw/zinc/00/27/92/845002792.db2.gz RKBCYDQRTWTZLM-LICLKQGHSA-N 0 1 420.450 4.365 50 10 HICAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Cl ZINC000002958252 132260531 /nfs/dbraw/zinc/26/05/31/132260531.db2.gz QUZCDTRMAZRGHD-XNTDXEJSSA-N 0 1 414.914 4.187 50 10 HICAMN CCN1C(=O)/C(=C\N2CCN(C(c3ccccc3)c3ccccc3)CC2)SC1=S ZINC000019831762 558291760 /nfs/dbraw/zinc/29/17/60/558291760.db2.gz PRFXCLRQMQTTLQ-LVZFUZTISA-N 0 1 423.607 4.115 50 10 HICAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000022239200 558471450 /nfs/dbraw/zinc/47/14/50/558471450.db2.gz KRISLZBPZQUQSR-QSJINSDNSA-N 0 1 403.290 4.381 50 10 HICAMN Cc1ccc(-c2noc([C@H](C)N3CCN(Cc4cc(C)c(C)cc4O)CC3)n2)cc1 ZINC000058789419 558930311 /nfs/dbraw/zinc/93/03/11/558930311.db2.gz KPVZRZAWDDWFNB-IBGZPJMESA-N 0 1 406.530 4.246 50 10 HICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Br ZINC000102580637 560816850 /nfs/dbraw/zinc/81/68/50/560816850.db2.gz FXOAPYHPGQZTJR-GXDHUFHOSA-N 0 1 401.220 4.076 50 10 HICAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1)CCCC3 ZINC000012324744 568471863 /nfs/dbraw/zinc/47/18/63/568471863.db2.gz AJOMTVRFNFPICQ-LJQANCHMSA-N 0 1 417.509 4.191 50 10 HICAMN O=C1C[C@H](c2ccccc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115790 568695630 /nfs/dbraw/zinc/69/56/30/568695630.db2.gz YNFPWWWLNRXODL-OAHLLOKOSA-N 0 1 400.386 4.312 50 10 HICAMN O=C1C[C@@H](c2ccsc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096116391 568695720 /nfs/dbraw/zinc/69/57/20/568695720.db2.gz QOPCCTJOAOLGFR-ZDUSSCGKSA-N 0 1 406.415 4.374 50 10 HICAMN O=C1C[C@@H](c2ccsc2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096116391 568695722 /nfs/dbraw/zinc/69/57/22/568695722.db2.gz QOPCCTJOAOLGFR-ZDUSSCGKSA-N 0 1 406.415 4.374 50 10 HICAMN COC(=O)C[C@H](CC(C)C)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096220926 568704931 /nfs/dbraw/zinc/70/49/31/568704931.db2.gz HFGBAMKFULJEDN-AWEZNQCLSA-N 0 1 412.438 4.270 50 10 HICAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000001162526 568775584 /nfs/dbraw/zinc/77/55/84/568775584.db2.gz UEKZEZIDXAYVFH-SFQUDFHCSA-N 0 1 406.825 4.262 50 10 HICAMN COc1ccc([C@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)N(C)C)cc1OC ZINC000006510046 569062057 /nfs/dbraw/zinc/06/20/57/569062057.db2.gz XVHZXNMUKXOVBN-QFIPXVFZSA-N 0 1 421.541 4.144 50 10 HICAMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002386564 569392112 /nfs/dbraw/zinc/39/21/12/569392112.db2.gz UJPFGEXOYHJRMP-MOSHPQCFSA-N 0 1 409.461 4.028 50 10 HICAMN CCn1cc(C=C2C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000033314242 848134649 /nfs/dbraw/zinc/13/46/49/848134649.db2.gz MEZRQZVJBJMURX-VBKFSLOCSA-N 0 1 405.479 4.341 50 10 HICAMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)cc1 ZINC000004470358 132277416 /nfs/dbraw/zinc/27/74/16/132277416.db2.gz AGFGXOMLKJFWSA-PDGQHHTCSA-N 0 1 406.438 4.225 50 10 HICAMN Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)c1C ZINC000009262827 132337782 /nfs/dbraw/zinc/33/77/82/132337782.db2.gz NLUXDKOBCDUEAU-HKWRFOASSA-N 0 1 419.550 4.125 50 10 HICAMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000001023544 535441114 /nfs/dbraw/zinc/44/11/14/535441114.db2.gz IBHDAJMKZGXGPT-XMHGGMMESA-N 0 1 402.475 4.070 50 10 HICAMN COc1ccccc1NC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000011788474 558276724 /nfs/dbraw/zinc/27/67/24/558276724.db2.gz YFFANZUYHUMGKU-QGZVFWFLSA-N 0 1 400.906 4.295 50 10 HICAMN CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S ZINC000004473867 558599181 /nfs/dbraw/zinc/59/91/81/558599181.db2.gz HRNVRYHTEGTSSJ-AQTBWJFISA-N 0 1 420.465 4.479 50 10 HICAMN Cc1ccc(N2NC(=O)/C(=C/c3cccc(OC(=O)c4cccs4)c3)C2=O)cc1C ZINC000013939966 558603985 /nfs/dbraw/zinc/60/39/85/558603985.db2.gz VTQURKNYPLCNAI-UYRXBGFRSA-N 0 1 418.474 4.046 50 10 HICAMN COc1ccc(N2CCN([C@H]3CCCN(C(=O)CCC4CCCCC4)C3)CC2)cc1 ZINC000055197407 558875451 /nfs/dbraw/zinc/87/54/51/558875451.db2.gz WOHZWNYSPZMABW-QHCPKHFHSA-N 0 1 413.606 4.169 50 10 HICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1Br ZINC000100542619 559136313 /nfs/dbraw/zinc/13/63/13/559136313.db2.gz FXOAPYHPGQZTJR-UVTDQMKNSA-N 0 1 401.220 4.076 50 10 HICAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cc(C)cc(C)c4)c(C)oc32)CC1 ZINC000019794050 569430022 /nfs/dbraw/zinc/43/00/22/569430022.db2.gz ULGBXNOQOJCDBH-UHFFFAOYSA-N 0 1 422.525 4.354 50 10 HICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 ZINC000015659353 846082868 /nfs/dbraw/zinc/08/28/68/846082868.db2.gz XQHFMPRGQICYNV-PDGQHHTCSA-N 0 1 422.893 4.333 50 10 HICAMN COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3cc(Cl)ccc3[O-])C1)CC2 ZINC000020515466 846385023 /nfs/dbraw/zinc/38/50/23/846385023.db2.gz SODDJWMBFIJEFX-FQEVSTJZSA-N 0 1 416.949 4.086 50 10 HICAMN COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C1)CC2 ZINC000020515466 846385039 /nfs/dbraw/zinc/38/50/39/846385039.db2.gz SODDJWMBFIJEFX-FQEVSTJZSA-N 0 1 416.949 4.086 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000000654577 132230146 /nfs/dbraw/zinc/23/01/46/132230146.db2.gz WLRPNPGELJMVKF-DEDYPNTBSA-N 0 1 407.539 4.360 50 10 HICAMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001198123 132241900 /nfs/dbraw/zinc/24/19/00/132241900.db2.gz HSUMJMMJYSAGLB-QGOAFFKASA-N 0 1 413.930 4.018 50 10 HICAMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc21 ZINC000002138441 132248947 /nfs/dbraw/zinc/24/89/47/132248947.db2.gz VFIDUZVEDJFMQX-LDADJPATSA-N 0 1 403.507 4.109 50 10 HICAMN CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000009111311 132335949 /nfs/dbraw/zinc/33/59/49/132335949.db2.gz PBFBPNDVGVSFDV-LICLKQGHSA-N 0 1 409.898 4.146 50 10 HICAMN CCc1ccccc1N1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)NC1=S ZINC000009165258 132336873 /nfs/dbraw/zinc/33/68/73/132336873.db2.gz KFXTUMUIMPJGGS-VKAVYKQESA-N 0 1 409.511 4.075 50 10 HICAMN CCc1cccc2c(C=C3C(=O)NC(=S)N(c4cccc(OC)c4)C3=O)c[nH]c21 ZINC000020232535 558350496 /nfs/dbraw/zinc/35/04/96/558350496.db2.gz SEZOXEVGCJWDFB-ZDLGFXPLSA-N 0 1 405.479 4.411 50 10 HICAMN [O-]c1c([C@@H](c2cccs2)[NH+]2CCN(c3ccccn3)CC2)ccc2cccnc21 ZINC000013060046 558509684 /nfs/dbraw/zinc/50/96/84/558509684.db2.gz UUDVBJQQIBBGAH-QFIPXVFZSA-N 0 1 402.523 4.309 50 10 HICAMN O=C(Oc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1)c1ccccc1Cl ZINC000013844649 558597485 /nfs/dbraw/zinc/59/74/85/558597485.db2.gz VWQWHMUCHXLLOR-XMHGGMMESA-N 0 1 418.836 4.021 50 10 HICAMN Cc1cnc(C)c(-c2ccc([O-])c(C[NH+]3CCN(c4cccc(C)c4C)CC3)c2)n1 ZINC000014883564 558676990 /nfs/dbraw/zinc/67/69/90/558676990.db2.gz XXUWHSXQNLGRMR-UHFFFAOYSA-N 0 1 402.542 4.405 50 10 HICAMN Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)cc2)cc1 ZINC000015013881 558701187 /nfs/dbraw/zinc/70/11/87/558701187.db2.gz YPYYRZCSTJQKSX-JCMHNJIXSA-N 0 1 418.493 4.369 50 10 HICAMN COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000016266023 558781950 /nfs/dbraw/zinc/78/19/50/558781950.db2.gz NSJMDXPGECLQOW-VGOFMYFVSA-N 0 1 422.871 4.368 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000017299991 558826737 /nfs/dbraw/zinc/82/67/37/558826737.db2.gz NTWPUWWGFNXFAG-KGENOOAVSA-N 0 1 405.498 4.197 50 10 HICAMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000017299968 558826754 /nfs/dbraw/zinc/82/67/54/558826754.db2.gz ASTBSELZCRNDBJ-CXDFQFJYSA-N 0 1 408.523 4.312 50 10 HICAMN O=C(Nc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1)c1ccccc1Cl ZINC000058300410 558917742 /nfs/dbraw/zinc/91/77/42/558917742.db2.gz NSLDARUWKHNDLD-XMHGGMMESA-N 0 1 417.852 4.054 50 10 HICAMN CCOC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000096558401 558972148 /nfs/dbraw/zinc/97/21/48/558972148.db2.gz MAQWKQNDWKHZOP-VBKFSLOCSA-N 0 1 419.462 4.016 50 10 HICAMN COc1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC ZINC000033625092 559223104 /nfs/dbraw/zinc/22/31/04/559223104.db2.gz OLGACXGFLDOYPL-MLPAPPSSSA-N 0 1 420.849 4.168 50 10 HICAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000001184166 560727710 /nfs/dbraw/zinc/72/77/10/560727710.db2.gz UYFRFILOIGBPKK-DHZHZOJOSA-N 0 1 411.697 4.478 50 10 HICAMN COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCCC[C@@H]3C)c2=O)cc1 ZINC000020438252 568607132 /nfs/dbraw/zinc/60/71/32/568607132.db2.gz AFOPQVHOZUHMNI-HNNXBMFYSA-N 0 1 423.465 4.452 50 10 HICAMN CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S ZINC000001013887 568763175 /nfs/dbraw/zinc/76/31/75/568763175.db2.gz MDAUPIXQOKIYTM-WTKPLQERSA-N 0 1 423.151 4.138 50 10 HICAMN Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000003364477 568888674 /nfs/dbraw/zinc/88/86/74/568888674.db2.gz YSUAFCSMZSCLRM-UHFFFAOYSA-N 0 1 421.448 4.042 50 10 aggregator HICAMN COc1ccc(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2=O)c(OC)c1 ZINC000004084765 568939935 /nfs/dbraw/zinc/93/99/35/568939935.db2.gz NTPUMNWZUGNZKA-OAHLLOKOSA-N 0 1 409.482 4.415 50 10 biogenic HICAMN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1C ZINC000008386641 568996381 /nfs/dbraw/zinc/99/63/81/568996381.db2.gz DBYXBFVAYGGSNC-MHWRWJLKSA-N 0 1 415.247 4.384 50 10 HICAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1C ZINC000008386641 568996383 /nfs/dbraw/zinc/99/63/83/568996383.db2.gz DBYXBFVAYGGSNC-MHWRWJLKSA-N 0 1 415.247 4.384 50 10 HICAMN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCc3ccccc3C2)cc1 ZINC000035349257 569033425 /nfs/dbraw/zinc/03/34/25/569033425.db2.gz NPOVIXRADCMFTO-RUZDIDTESA-N 0 1 417.528 4.421 50 10 HICAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000015659378 846082838 /nfs/dbraw/zinc/08/28/38/846082838.db2.gz AGBCGQCXIFMODP-RNEAAXAUSA-N 0 1 413.842 4.476 50 10 HICAMN Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S ZINC000000693690 132231062 /nfs/dbraw/zinc/23/10/62/132231062.db2.gz NZIDSZOAEQUYDR-QGOAFFKASA-N 0 1 421.909 4.270 50 10 HICAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc12 ZINC000001122099 536598109 /nfs/dbraw/zinc/59/81/09/536598109.db2.gz KPKUQHQWCYEICH-DEDYPNTBSA-N 0 1 416.502 4.297 50 10 HICAMN COc1ccc(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2=O)cc1OC ZINC000004353848 558439446 /nfs/dbraw/zinc/43/94/46/558439446.db2.gz PTGPSLGKLLBYRZ-OAHLLOKOSA-N 0 1 409.482 4.415 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1 ZINC000013550310 558538972 /nfs/dbraw/zinc/53/89/72/558538972.db2.gz KCCKQRQKOINBCZ-XSFVSMFZSA-N 0 1 415.518 4.234 50 10 HICAMN COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000016195099 558777808 /nfs/dbraw/zinc/77/78/08/558777808.db2.gz VYXPNIBNIDZLNF-ZSOIEALJSA-N 0 1 422.871 4.368 50 10 HICAMN Cc1ccc(-c2noc([C@@H](C)N3CCN(Cc4cc(C)c(C)cc4O)CC3)n2)cc1 ZINC000058789418 558930333 /nfs/dbraw/zinc/93/03/33/558930333.db2.gz KPVZRZAWDDWFNB-LJQANCHMSA-N 0 1 406.530 4.246 50 10 HICAMN CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CC)CC)o3)C(=O)NC2=S)cc1 ZINC000000646060 568457219 /nfs/dbraw/zinc/45/72/19/568457219.db2.gz YRTALDARKFGUGI-LGMDPLHJSA-N 0 1 413.499 4.196 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1C ZINC000016212306 846138563 /nfs/dbraw/zinc/13/85/63/846138563.db2.gz FBKRNUIZZDRCFZ-KGENOOAVSA-N 0 1 413.477 4.065 50 10 HICAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000001219745 132242884 /nfs/dbraw/zinc/24/28/84/132242884.db2.gz PAYGURWHPGSGLN-ZROIWOOFSA-N 0 1 421.305 4.223 50 10 HICAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3CC)C2=O)cc1Cl ZINC000004738861 132286388 /nfs/dbraw/zinc/28/63/88/132286388.db2.gz IKJHAZARHMGLEE-RVDMUPIBSA-N 0 1 414.914 4.132 50 10 HICAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000004783803 559062883 /nfs/dbraw/zinc/06/28/83/559062883.db2.gz GJIQZAJEVZGNSC-RCCKNPSSSA-N 0 1 404.466 4.060 50 10 HICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O ZINC000095920199 559088961 /nfs/dbraw/zinc/08/89/61/559088961.db2.gz SPMDFJBQFFQJLF-LDADJPATSA-N 0 1 407.520 4.288 50 10 HICAMN COc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C ZINC000033441651 559193060 /nfs/dbraw/zinc/19/30/60/559193060.db2.gz YVPPSKWSHCMFRL-PDGQHHTCSA-N 0 1 419.437 4.198 50 10 HICAMN O=C1C[C@H](c2ccc(O)cc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096116143 568695494 /nfs/dbraw/zinc/69/54/94/568695494.db2.gz HDIYPROSHKVPOW-OAHLLOKOSA-N 0 1 416.385 4.018 50 10 HICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2ccc(O)cc2)CC(=O)O1 ZINC000096116143 568695497 /nfs/dbraw/zinc/69/54/97/568695497.db2.gz HDIYPROSHKVPOW-OAHLLOKOSA-N 0 1 416.385 4.018 50 10 HICAMN O=C1C[C@@H](c2ccccc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115789 568695645 /nfs/dbraw/zinc/69/56/45/568695645.db2.gz YNFPWWWLNRXODL-HNNXBMFYSA-N 0 1 400.386 4.312 50 10 HICAMN CN(C)c1ccc([C@@H]2NC[C@@H](CSc3ncnc4sc5c(c43)CCC5)O2)cc1 ZINC000057646731 568857014 /nfs/dbraw/zinc/85/70/14/568857014.db2.gz JMXLDEDCVSHXAT-HNAYVOBHSA-N 0 1 412.584 4.025 50 10 HICAMN CN(C)c1ccc([C@@H]2NC[C@H](COc3ccc(Br)cc3Cl)O2)cc1 ZINC000057645760 568857044 /nfs/dbraw/zinc/85/70/44/568857044.db2.gz SFVAUENTLGIKHT-CRAIPNDOSA-N 0 1 411.727 4.235 50 10 HICAMN CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccccc23)C1=O ZINC000001254878 568908970 /nfs/dbraw/zinc/90/89/70/568908970.db2.gz ZASWJSXUVCWTRB-GHRIWEEISA-N 0 1 421.428 4.181 50 10 HICAMN O=c1c(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc2cccc3c2n1CCC3 ZINC000217793649 568912895 /nfs/dbraw/zinc/91/28/95/568912895.db2.gz QYEOGYCMHUWNES-UHFFFAOYSA-N 0 1 424.416 4.197 50 10 HICAMN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)N2CCc3ccccc3C2)cc1 ZINC000035349255 569033402 /nfs/dbraw/zinc/03/34/02/569033402.db2.gz DLRAVCGCUPTEEQ-RUZDIDTESA-N 0 1 417.528 4.421 50 10 HICAMN O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000002138309 569287579 /nfs/dbraw/zinc/28/75/79/569287579.db2.gz CYJMCQSXXUBGRZ-SFQUDFHCSA-N 0 1 409.239 4.171 50 10 HICAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001163847 845002872 /nfs/dbraw/zinc/00/28/72/845002872.db2.gz YHJLTGSNBDQKMH-SFQUDFHCSA-N 0 1 417.377 4.357 50 10 HICAMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc12 ZINC000022107472 846531897 /nfs/dbraw/zinc/53/18/97/846531897.db2.gz ZJDHPEBOXAFHNJ-WQRHYEAKSA-N 0 1 422.893 4.333 50 10 HICAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000001193930 132241372 /nfs/dbraw/zinc/24/13/72/132241372.db2.gz CIOFDKKWAGKXNJ-RIYZIHGNSA-N 0 1 421.305 4.223 50 10 HICAMN COc1cccc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c1OC(C)C ZINC000033333132 132788752 /nfs/dbraw/zinc/78/87/52/132788752.db2.gz YAURVHOLBKCTLV-VBKFSLOCSA-N 0 1 410.495 4.462 50 10 HICAMN O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000000680532 557055649 /nfs/dbraw/zinc/05/56/49/557055649.db2.gz OPNOKMCPQWTTTB-MOSHPQCFSA-N 0 1 406.388 4.005 50 10 HICAMN CCC(=O)N(c1cccc(OC)c1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000034683458 557386607 /nfs/dbraw/zinc/38/66/07/557386607.db2.gz GVCKWQXNULNHRR-UHFFFAOYSA-N 0 1 402.922 4.462 50 10 HICAMN CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(CO)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000020215623 558348106 /nfs/dbraw/zinc/34/81/06/558348106.db2.gz WMNMKQZXAYJQET-KFYHQIPESA-N 0 1 404.558 4.365 50 10 HICAMN CCOc1ccccc1N1CC[NH+](Cc2cc(-c3cccc(OC)n3)ccc2[O-])CC1 ZINC000055119049 558873027 /nfs/dbraw/zinc/87/30/27/558873027.db2.gz ORGSEBJHEXZWFS-UHFFFAOYSA-N 0 1 419.525 4.184 50 10 HICAMN Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000023234580 560554150 /nfs/dbraw/zinc/55/41/50/560554150.db2.gz AOEVSLLGKYBNSB-UHFFFAOYSA-N 0 1 417.465 4.235 50 10 HICAMN CCOC(=O)c1c2c(ccc([O-])c2C[NH+](C)C)n(CC)c1-c1ccc(OC(C)=O)cc1 ZINC000003154757 560750016 /nfs/dbraw/zinc/75/00/16/560750016.db2.gz GVFVDLPTEOYBGD-UHFFFAOYSA-N 0 1 424.497 4.197 50 10 HICAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000000653706 568459831 /nfs/dbraw/zinc/45/98/31/568459831.db2.gz CXPAHVAZQAEBIG-WZUFQYTHSA-N 0 1 421.261 4.394 50 10 HICAMN CCCc1cc(=O)oc2cc(C)c(C3=NN[C@@H](c4ccc(N(C)C)cc4)C3)c(O)c12 ZINC000012296778 568462352 /nfs/dbraw/zinc/46/23/52/568462352.db2.gz HIIRRRGWDQXUEH-GOSISDBHSA-N 0 1 405.498 4.264 50 10 HICAMN CN1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2[O-])CC1 ZINC000021486623 568704221 /nfs/dbraw/zinc/70/42/21/568704221.db2.gz VBMWOSHZIVCIKC-FQEVSTJZSA-N 0 1 401.432 4.296 50 10 HICAMN COc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C ZINC000001260426 568909207 /nfs/dbraw/zinc/90/92/07/568909207.db2.gz YVPPSKWSHCMFRL-LDADJPATSA-N 0 1 419.437 4.198 50 10 HICAMN O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccccc1Cl ZINC000001214492 845002984 /nfs/dbraw/zinc/00/29/84/845002984.db2.gz ZTCTZKDKZNPIJX-VLVOFSMPSA-N 0 1 403.663 4.120 50 10 HICAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)cc1 ZINC000000658328 132230110 /nfs/dbraw/zinc/23/01/10/132230110.db2.gz AGFGXOMLKJFWSA-LDADJPATSA-N 0 1 406.438 4.225 50 10 HICAMN COc1ccccc1N1CC[NH+](Cc2cc(COC(C)C)c3cccnc3c2[O-])CC1 ZINC000006804068 132317766 /nfs/dbraw/zinc/31/77/66/132317766.db2.gz UTOXUOBGCLQCNH-UHFFFAOYSA-N 0 1 421.541 4.196 50 10 HICAMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000000981370 519778294 /nfs/dbraw/zinc/77/82/94/519778294.db2.gz DOYAXDBVTLDCCV-OVCLIPMQSA-N 0 1 418.877 4.098 50 10 HICAMN COc1ccc(N2CCN(CCCNc3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000026761314 536696056 /nfs/dbraw/zinc/69/60/56/536696056.db2.gz VGCIQIQNQMOZQG-UHFFFAOYSA-N 0 1 417.513 4.009 50 10 HICAMN COc1ccccc1NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1[O-])CC2 ZINC000011788473 558276646 /nfs/dbraw/zinc/27/66/46/558276646.db2.gz YFFANZUYHUMGKU-KRWDZBQOSA-N 0 1 400.906 4.295 50 10 HICAMN COc1ccc(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2=O)cc1OC ZINC000004353850 558439477 /nfs/dbraw/zinc/43/94/77/558439477.db2.gz PTGPSLGKLLBYRZ-HNNXBMFYSA-N 0 1 409.482 4.415 50 10 HICAMN CCc1nc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n[nH]1 ZINC000022186842 558465480 /nfs/dbraw/zinc/46/54/80/558465480.db2.gz PZPKDZXXQZOHPS-UHFFFAOYSA-N 0 1 406.458 4.351 50 10 HICAMN CCc1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1 ZINC000022186842 558465483 /nfs/dbraw/zinc/46/54/83/558465483.db2.gz PZPKDZXXQZOHPS-UHFFFAOYSA-N 0 1 406.458 4.351 50 10 HICAMN O=S(=O)([N-]c1cccc(N2CCC([NH2+]C3CCCC3)CC2)c1)c1ccc(F)cc1 ZINC000299801957 558843264 /nfs/dbraw/zinc/84/32/64/558843264.db2.gz ZHUFBSQZNDWMHS-UHFFFAOYSA-N 0 1 417.550 4.128 50 10 HICAMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000000665211 568460144 /nfs/dbraw/zinc/46/01/44/568460144.db2.gz NTWPUWWGFNXFAG-STZFKDTASA-N 0 1 405.498 4.197 50 10 HICAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000038160977 568569836 /nfs/dbraw/zinc/56/98/36/568569836.db2.gz CCWOEKKEQDLVMY-ZROIWOOFSA-N 0 1 402.859 4.116 50 10 HICAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc21 ZINC000019938608 568585890 /nfs/dbraw/zinc/58/58/90/568585890.db2.gz PDDVWHNZUGPPBD-OAHLLOKOSA-N 0 1 407.466 4.311 50 10 HICAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc32)C1 ZINC000019938606 568585930 /nfs/dbraw/zinc/58/59/30/568585930.db2.gz OWAOHIRVBHJHCD-OAHLLOKOSA-N 0 1 407.466 4.169 50 10 HICAMN [O-]c1c([C@H](c2ccccn2)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc2cccnc21 ZINC000020192730 568593581 /nfs/dbraw/zinc/59/35/81/568593581.db2.gz FZCNGNCIVMTVKL-XMMPIXPASA-N 0 1 414.484 4.386 50 10 HICAMN C[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1cc(Br)ccc1[O-] ZINC000095469450 568625555 /nfs/dbraw/zinc/62/55/55/568625555.db2.gz YTNCMMNDPHJNIA-CQSZACIVSA-N 0 1 403.320 4.128 50 10 HICAMN O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c(O)cc(-c4ccc(O)c(O)c4)oc2-3)O1 ZINC000096116376 568695867 /nfs/dbraw/zinc/69/58/67/568695867.db2.gz DYTQWCZBJXFFJM-LBPRGKRZSA-N 0 1 422.414 4.079 50 10 HICAMN O=C(Nc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1)c1ccccc1Cl ZINC000096316161 568725697 /nfs/dbraw/zinc/72/56/97/568725697.db2.gz NSLDARUWKHNDLD-RGEXLXHISA-N 0 1 417.852 4.054 50 10 HICAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4n3C)c(=O)oc21 ZINC000004136455 568945598 /nfs/dbraw/zinc/94/55/98/568945598.db2.gz YUTUOAUIMNVUPQ-HNNXBMFYSA-N 0 1 403.482 4.427 50 10 HICAMN CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000016693106 569070719 /nfs/dbraw/zinc/07/07/19/569070719.db2.gz IBHDAJMKZGXGPT-RGEXLXHISA-N 0 1 402.475 4.070 50 10 HICAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000006654899 569082872 /nfs/dbraw/zinc/08/28/72/569082872.db2.gz IGGGUAJDSOCMRB-HNNXBMFYSA-N 0 1 408.321 4.023 50 10 HICAMN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(CO)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000006712223 569097329 /nfs/dbraw/zinc/09/73/29/569097329.db2.gz WMNMKQZXAYJQET-BYFMOXHQSA-N 0 1 404.558 4.365 50 10 HICAMN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cc3c(cc1O)OCO3)CC2 ZINC000007141725 569226240 /nfs/dbraw/zinc/22/62/40/569226240.db2.gz QQRFBWMKJHUEBE-RUZDIDTESA-N 0 1 419.477 4.286 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000001176722 132240370 /nfs/dbraw/zinc/24/03/70/132240370.db2.gz RUNAILPEPUDURC-UDWIEESQSA-N 0 1 419.481 4.065 50 10 HICAMN Cc1cc(C(O)=CSc2nc(=O)c3c[nH]nc3[nH]2)c(C)n1-c1ccc(C)c(C)c1 ZINC000024747066 558609707 /nfs/dbraw/zinc/60/97/07/558609707.db2.gz RDCVVUZZUASNMU-UHFFFAOYSA-N 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COc1ccccc1-c1c2oc3c(ccc(O)c3O)c2nc2c1c(=O)[nH]n2C(C)C ZINC000085879403 569009869 /nfs/dbraw/zinc/00/98/69/569009869.db2.gz IJNANVHBMMWMAC-UHFFFAOYSA-N 0 1 405.410 4.292 50 10 HICAMN COc1ccc(N2CCN(Cc3cc(=O)oc4c5ccccc5ccc34)CC2)cc1 ZINC000054105925 569057480 /nfs/dbraw/zinc/05/74/80/569057480.db2.gz HMRYPIZHYSCOHL-UHFFFAOYSA-N 0 1 400.478 4.277 50 10 aggregator HICAMN CN(C)CCCNc1cc(NC2CCCCC2)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000006661737 569085363 /nfs/dbraw/zinc/08/53/63/569085363.db2.gz VPEHQUZLVMAHAQ-UHFFFAOYSA-N 0 1 420.557 4.152 50 10 HICAMN Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000006908780 845222635 /nfs/dbraw/zinc/22/26/35/845222635.db2.gz GTCGRLNZCUCCEP-UKTHLTGXSA-N 0 1 406.294 4.046 50 10 HICAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCCCC2)cc1 ZINC000009161402 132228356 /nfs/dbraw/zinc/22/83/56/132228356.db2.gz PDCYCBGUYLOKRU-SDXDJHTJSA-N 0 1 423.513 4.037 50 10 HICAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000001257829 132243316 /nfs/dbraw/zinc/24/33/16/132243316.db2.gz XWLCVNNIXPMFGJ-MOSHPQCFSA-N 0 1 419.481 4.476 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccccc1 ZINC000009259220 132337661 /nfs/dbraw/zinc/33/76/61/132337661.db2.gz XUSMIAVJGHJBNX-UDWIEESQSA-N 0 1 419.481 4.065 50 10 HICAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000013370500 558531019 /nfs/dbraw/zinc/53/10/19/558531019.db2.gz RQIVJGXUVUNLEA-WQRHYEAKSA-N 0 1 410.836 4.485 50 10 HICAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000015946328 558763422 /nfs/dbraw/zinc/76/34/22/558763422.db2.gz KPFZHCRSYUKOSP-INIZCTEOSA-N 0 1 422.348 4.412 50 10 HICAMN CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(O)c1 ZINC000017122636 558823048 /nfs/dbraw/zinc/82/30/48/558823048.db2.gz JJJOZUZKEHTAJV-PTNGSMBKSA-N 0 1 413.474 4.049 50 10 HICAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c1 ZINC000058369892 558922682 /nfs/dbraw/zinc/92/26/82/558922682.db2.gz XRBFIFICBXWHMR-UHFFFAOYSA-N 0 1 412.511 4.154 50 10 HICAMN CN1CCN(c2ccc(CNC(=O)c3cc4cn(C5CCCC5)cc4s3)cc2)CC1 ZINC000097138260 558996553 /nfs/dbraw/zinc/99/65/53/558996553.db2.gz XOGKUCYCJRSADW-UHFFFAOYSA-N 0 1 422.598 4.500 50 10 HICAMN COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000033441562 559193090 /nfs/dbraw/zinc/19/30/90/559193090.db2.gz AINPFCVIYHJKNA-UNOMPAQXSA-N 0 1 411.527 4.040 50 10 HICAMN CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000100793602 559267576 /nfs/dbraw/zinc/26/75/76/559267576.db2.gz GKLFNXCHRXJHCM-XSFVSMFZSA-N 0 1 420.513 4.037 50 10 HICAMN COC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)sc2c1CC[C@H](C)C2 ZINC000044827079 560897428 /nfs/dbraw/zinc/89/74/28/560897428.db2.gz OWTVTROZBMOCGL-VLURKWGBSA-N 0 1 409.511 4.378 50 10 HICAMN CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OCC)c1 ZINC000020176133 568592638 /nfs/dbraw/zinc/59/26/38/568592638.db2.gz PATKLQVDJAVBIY-PDGQHHTCSA-N 0 1 410.495 4.464 50 10 HICAMN O=C1C[C@H](c2cccc(O)c2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096115152 568694548 /nfs/dbraw/zinc/69/45/48/568694548.db2.gz LBZWKJLHMQJINP-OAHLLOKOSA-N 0 1 416.385 4.018 50 10 HICAMN CN(C)c1ccc([C@@H]2NC[C@H](CSc3ncnc4sc5c(c43)CCC5)O2)cc1 ZINC000057646725 568856975 /nfs/dbraw/zinc/85/69/75/568856975.db2.gz JMXLDEDCVSHXAT-DNVCBOLYSA-N 0 1 412.584 4.025 50 10 HICAMN O=C(c1cc2ccccc2c(C[N@H+]2CCC[C@H]2c2cccs2)c1[O-])N1CCOCC1 ZINC000008314779 568989811 /nfs/dbraw/zinc/98/98/11/568989811.db2.gz QQCQWJQKVLTMTO-NRFANRHFSA-N 0 1 422.550 4.416 50 10 HICAMN COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccccc2)cc1OC ZINC000006199438 569031566 /nfs/dbraw/zinc/03/15/66/569031566.db2.gz FSSVEMKIAPRSTM-UHFFFAOYSA-N 0 1 411.479 4.044 50 10 HICAMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000006978576 569192577 /nfs/dbraw/zinc/19/25/77/569192577.db2.gz BAPJNCDYXAJULO-UHFFFAOYSA-N 0 1 422.598 4.200 50 10 HICAMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S ZINC000004470356 132277482 /nfs/dbraw/zinc/27/74/82/132277482.db2.gz FNRCSSQSANSDET-ATVHPVEESA-N 0 1 406.438 4.225 50 10 HICAMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)NC2=S)c(C)c1 ZINC000009805585 132343542 /nfs/dbraw/zinc/34/35/42/132343542.db2.gz AWRZKLWZQUGSNP-CPNJWEJPSA-N 0 1 419.481 4.065 50 10 HICAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1 ZINC000013532907 558537037 /nfs/dbraw/zinc/53/70/37/558537037.db2.gz NZUZATUYJGLCBX-ZHZULCJRSA-N 0 1 404.853 4.380 50 10 HICAMN COc1cccc(-c2ccc([O-])c(C[NH+]3CCN(c4cc(C)ccc4C)CC3)c2)n1 ZINC000023367846 558552805 /nfs/dbraw/zinc/55/28/05/558552805.db2.gz DVGRADGMKTZFSF-UHFFFAOYSA-N 0 1 403.526 4.402 50 10 HICAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3cccs3)C2=O)c(C)n1-c1ccccc1 ZINC000013712271 558576657 /nfs/dbraw/zinc/57/66/57/558576657.db2.gz OKCXVQGHRZGCAH-UNOMPAQXSA-N 0 1 405.479 4.022 50 10 HICAMN CC(C)n1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cn1 ZINC000095477598 568631323 /nfs/dbraw/zinc/63/13/23/568631323.db2.gz GXHJZRXWMMTPQN-UHFFFAOYSA-N 0 1 407.430 4.473 50 10 HICAMN O=C1C[C@@H](c2ccc(O)cc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096116142 568695404 /nfs/dbraw/zinc/69/54/04/568695404.db2.gz HDIYPROSHKVPOW-HNNXBMFYSA-N 0 1 416.385 4.018 50 10 HICAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2ccc(O)cc2)CC(=O)O1 ZINC000096116142 568695406 /nfs/dbraw/zinc/69/54/06/568695406.db2.gz HDIYPROSHKVPOW-HNNXBMFYSA-N 0 1 416.385 4.018 50 10 HICAMN O=C1C[C@H](c2ccsc2)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000096116392 568695895 /nfs/dbraw/zinc/69/58/95/568695895.db2.gz QOPCCTJOAOLGFR-CYBMUJFWSA-N 0 1 406.415 4.374 50 10 HICAMN O=C1C[C@H](c2ccsc2)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096116392 568695898 /nfs/dbraw/zinc/69/58/98/568695898.db2.gz QOPCCTJOAOLGFR-CYBMUJFWSA-N 0 1 406.415 4.374 50 10 HICAMN CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC ZINC000015822207 569010764 /nfs/dbraw/zinc/01/07/64/569010764.db2.gz MFBZKSMCDVXJTE-YVLHZVERSA-N 0 1 414.889 4.216 50 10 HICAMN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nc(C(C)C)n[nH]3)c2C)cc1 ZINC000006477125 569058726 /nfs/dbraw/zinc/05/87/26/569058726.db2.gz JXDJLKYHBGQOHB-UHFFFAOYSA-N 0 1 412.515 4.097 50 10 HICAMN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(C(C)C)n3)c2C)cc1 ZINC000006477125 569058727 /nfs/dbraw/zinc/05/87/27/569058727.db2.gz JXDJLKYHBGQOHB-UHFFFAOYSA-N 0 1 412.515 4.097 50 10 HICAMN Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@H+](C)C[C@@H]1CCCN2CCCC[C@H]12)CCCC3 ZINC000524731847 569212409 /nfs/dbraw/zinc/21/24/09/569212409.db2.gz MLGRFMUBLHDUBI-PGRDOPGGSA-N 0 1 424.585 4.382 50 10 HICAMN Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@@H+](C)C[C@@H]1CCCN2CCCC[C@H]12)CCCC3 ZINC000524731847 569212410 /nfs/dbraw/zinc/21/24/10/569212410.db2.gz MLGRFMUBLHDUBI-PGRDOPGGSA-N 0 1 424.585 4.382 50 10 HICAMN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 ZINC000006431644 132311105 /nfs/dbraw/zinc/31/11/05/132311105.db2.gz RYUDHCXEPBULBB-UYRXBGFRSA-N 0 1 421.909 4.270 50 10 HICAMN CC(C)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000000667054 535346365 /nfs/dbraw/zinc/34/63/65/535346365.db2.gz WKFWQQOICPDNJP-GZTJUZNOSA-N 0 1 421.497 4.268 50 10 HICAMN Cc1sc(=NC=C2C(=O)OC(C)(C)OC2=O)[nH]c1-c1ccc(Br)cc1 ZINC000002543495 557355709 /nfs/dbraw/zinc/35/57/09/557355709.db2.gz MFVRKGKCTXWGSE-UHFFFAOYSA-N 0 1 423.288 4.013 50 10 HICAMN CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000013549363 558538725 /nfs/dbraw/zinc/53/87/25/558538725.db2.gz LTLFPXYAISHPAS-XNTDXEJSSA-N 0 1 402.453 4.105 50 10 HICAMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000014521662 558655384 /nfs/dbraw/zinc/65/53/84/558655384.db2.gz WIOVCWBHGVHNHR-UHFFFAOYSA-N 0 1 423.948 4.147 50 10 HICAMN CSc1ccc2c(c1)[C@@H](N1CCN(CCCO)CC1)Cc1ccc(F)cc1S2 ZINC000033824214 558771474 /nfs/dbraw/zinc/77/14/74/558771474.db2.gz LPFRDGDSDQFNIT-FQEVSTJZSA-N 0 1 418.603 4.296 50 10 HICAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101114489 560786897 /nfs/dbraw/zinc/78/68/97/560786897.db2.gz WRCLDXAKDDFFGL-GXDHUFHOSA-N 0 1 401.220 4.076 50 10 HICAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000016676185 560861200 /nfs/dbraw/zinc/86/12/00/560861200.db2.gz PNIUADITKIMPKT-KPKJPENVSA-N 0 1 411.697 4.478 50 10 HICAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1 ZINC000001180270 568822058 /nfs/dbraw/zinc/82/20/58/568822058.db2.gz ISWLGSMSNRYAEB-UKTHLTGXSA-N 0 1 421.305 4.142 50 10 HICAMN COc1ccc(OC)c(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@@H](C)C4)c3oc2=O)c1 ZINC000004084797 568940004 /nfs/dbraw/zinc/94/00/04/568940004.db2.gz LKFROINAGXQJQQ-OAHLLOKOSA-N 0 1 409.482 4.415 50 10 biogenic HICAMN COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000009044288 571215335 /nfs/dbraw/zinc/21/53/35/571215335.db2.gz RNDOXKJFAXTNED-GHRIWEEISA-N 0 1 421.453 4.147 50 10 HICAMN COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3cc(Cl)ccc3[O-])C1)CC2 ZINC000020515462 846385561 /nfs/dbraw/zinc/38/55/61/846385561.db2.gz SODDJWMBFIJEFX-HXUWFJFHSA-N 0 1 416.949 4.086 50 10 HICAMN COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C1)CC2 ZINC000020515462 846385570 /nfs/dbraw/zinc/38/55/70/846385570.db2.gz SODDJWMBFIJEFX-HXUWFJFHSA-N 0 1 416.949 4.086 50 10 HICAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000022239146 846547735 /nfs/dbraw/zinc/54/77/35/846547735.db2.gz RUTIPDFXMDYVQW-APSNUPSMSA-N 0 1 421.305 4.223 50 10 HICAMN Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=C1C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000038167121 848177085 /nfs/dbraw/zinc/17/70/85/848177085.db2.gz VJKWWIJZALRJLR-ZROIWOOFSA-N 0 1 424.413 4.195 50 10 HICAMN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(OC)cc2O)C3)c1 ZINC000064157909 851837547 /nfs/dbraw/zinc/83/75/47/851837547.db2.gz CYJBRLQTNSYXKU-UHFFFAOYSA-N 0 1 421.493 4.480 50 10 HICAMN Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1 ZINC000000658334 132230159 /nfs/dbraw/zinc/23/01/59/132230159.db2.gz YNQIMWDSIUPEFL-LDADJPATSA-N 0 1 406.438 4.225 50 10 HICAMN CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000000664895 132230269 /nfs/dbraw/zinc/23/02/69/132230269.db2.gz ASTBSELZCRNDBJ-YZYPPFLQSA-N 0 1 408.523 4.312 50 10 HICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000009259408 132337718 /nfs/dbraw/zinc/33/77/18/132337718.db2.gz BRVBJPFLLZNNRB-ATVHPVEESA-N 0 1 424.478 4.401 50 10 HICAMN COc1ccc(-n2cccc2C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000017250017 132465483 /nfs/dbraw/zinc/46/54/83/132465483.db2.gz USWFEBWWWJSMGP-UYRXBGFRSA-N 0 1 421.453 4.297 50 10 HICAMN CCOc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1CO ZINC000012090245 558324021 /nfs/dbraw/zinc/32/40/21/558324021.db2.gz LEWKJIBUJYNJGY-AWEZNQCLSA-N 0 1 401.457 4.201 50 10 HICAMN COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000013659350 558559585 /nfs/dbraw/zinc/55/95/85/558559585.db2.gz GXNZLBHSYDKCJY-KRWDZBQOSA-N 0 1 416.949 4.363 50 10 HICAMN COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000013659350 558559586 /nfs/dbraw/zinc/55/95/86/558559586.db2.gz GXNZLBHSYDKCJY-KRWDZBQOSA-N 0 1 416.949 4.363 50 10 HICAMN COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000013659354 558559598 /nfs/dbraw/zinc/55/95/98/558559598.db2.gz GXNZLBHSYDKCJY-QGZVFWFLSA-N 0 1 416.949 4.363 50 10 HICAMN COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)c1 ZINC000013659354 558559600 /nfs/dbraw/zinc/55/96/00/558559600.db2.gz GXNZLBHSYDKCJY-QGZVFWFLSA-N 0 1 416.949 4.363 50 10 HICAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(CCc2ccccc2)C1=O ZINC000001087594 560568063 /nfs/dbraw/zinc/56/80/63/560568063.db2.gz ODFIHOPQCXMTTA-RGEXLXHISA-N 0 1 421.547 4.330 50 10 HICAMN Oc1c([C@@H](c2ccccn2)N2CCN(c3ccccc3F)CC2)ccc2cccnc21 ZINC000020192737 568593716 /nfs/dbraw/zinc/59/37/16/568593716.db2.gz JWBZBEGBWBYWNB-DEOSSOPVSA-N 0 1 414.484 4.386 50 10 HICAMN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000083330023 568914934 /nfs/dbraw/zinc/91/49/34/568914934.db2.gz PKNQLGYLXMWDBN-UDWIEESQSA-N 0 1 404.445 4.448 50 10 HICAMN O=C(c1cc2ccccc2c(C[N@H+]2CCC[C@@H]2c2cccs2)c1[O-])N1CCOCC1 ZINC000008314776 568989853 /nfs/dbraw/zinc/98/98/53/568989853.db2.gz QQCQWJQKVLTMTO-OAQYLSRUSA-N 0 1 422.550 4.416 50 10 HICAMN COc1cccc(CN2CC=C(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000064818014 569101239 /nfs/dbraw/zinc/10/12/39/569101239.db2.gz UMDNVTINVPYTAJ-UHFFFAOYSA-N 0 1 419.569 4.134 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1C1CCCC1 ZINC000000654259 132230171 /nfs/dbraw/zinc/23/01/71/132230171.db2.gz ANMRKKPINAKGHJ-CPNJWEJPSA-N 0 1 407.539 4.360 50 10 HICAMN CCc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 ZINC000004620688 132280299 /nfs/dbraw/zinc/28/02/99/132280299.db2.gz NIYSAPJIYBBENI-PGMHBOJBSA-N 0 1 419.550 4.071 50 10 HICAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1C1CCCC1 ZINC000004738852 132286307 /nfs/dbraw/zinc/28/63/07/132286307.db2.gz ANMRKKPINAKGHJ-UYRXBGFRSA-N 0 1 407.539 4.360 50 10 HICAMN CCOc1ccc(N2C(=O)C(=Cc3ccc(N(CC)CC)o3)C(=O)NC2=S)cc1 ZINC000008914955 132334101 /nfs/dbraw/zinc/33/41/01/132334101.db2.gz YRTALDARKFGUGI-GHRIWEEISA-N 0 1 413.499 4.196 50 10 HICAMN CC(C)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000000667028 535347201 /nfs/dbraw/zinc/34/72/01/535347201.db2.gz AOYGGTQPIDNWRL-YBFXNURJSA-N 0 1 421.497 4.268 50 10 HICAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1C ZINC000033332245 559063122 /nfs/dbraw/zinc/06/31/22/559063122.db2.gz QITZTSSMMPGLDL-STZFKDTASA-N 0 1 414.461 4.044 50 10 HICAMN CCOC(=O)c1c2c(sc1N=Cc1c(C)[nH]n(-c3ccc(C)cc3)c1=O)CCC2 ZINC000100604754 559136958 /nfs/dbraw/zinc/13/69/58/559136958.db2.gz BEWQELAAOPSETJ-SFQUDFHCSA-N 0 1 409.511 4.440 50 10 HICAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C)C3)c2=O)cc1OC ZINC000004064809 568937519 /nfs/dbraw/zinc/93/75/19/568937519.db2.gz UANRRQZZKNTIAU-HNNXBMFYSA-N 0 1 409.482 4.415 50 10 biogenic HICAMN O=C(CCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)NCc1ccc(F)cc1 ZINC000011873234 845839028 /nfs/dbraw/zinc/83/90/28/845839028.db2.gz VBDHDHOODWPIHJ-UHFFFAOYSA-N 0 1 404.913 4.493 50 10 HICAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)c(C)c1 ZINC000000664866 132230275 /nfs/dbraw/zinc/23/02/75/132230275.db2.gz WYPYFGJDSTTYGU-NBVRZTHBSA-N 0 1 423.538 4.108 50 10 HICAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000001147700 132239146 /nfs/dbraw/zinc/23/91/46/132239146.db2.gz SMBFPXUQQMPNOG-RCCKNPSSSA-N 0 1 414.486 4.097 50 10 HICAMN CCn1cc(C=C2C(=O)NC(=S)N(c3cccc(OC)c3)C2=O)c2ccccc21 ZINC000002195151 132249241 /nfs/dbraw/zinc/24/92/41/132249241.db2.gz AJHKTBXUDXKQLV-WOJGMQOQSA-N 0 1 405.479 4.341 50 10 HICAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1C ZINC000000640791 557032641 /nfs/dbraw/zinc/03/26/41/557032641.db2.gz QITZTSSMMPGLDL-KGENOOAVSA-N 0 1 414.461 4.044 50 10 HICAMN Cc1cc(O)c(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C ZINC000013097729 558513827 /nfs/dbraw/zinc/51/38/27/558513827.db2.gz YECAEDMJYDNKBY-UHFFFAOYSA-N 0 1 409.408 4.258 50 10 HICAMN COc1cc(C)c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1C(C)C ZINC000016267882 558782468 /nfs/dbraw/zinc/78/24/68/558782468.db2.gz PEDTUDZDEJIZSU-WJDWOHSUSA-N 0 1 412.486 4.097 50 10 HICAMN CCOc1cc(N(CC)CC)ccc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000005393289 560583161 /nfs/dbraw/zinc/58/31/61/560583161.db2.gz ZNBDTPJMYXVGQH-UYRXBGFRSA-N 0 1 413.905 4.046 50 10 HICAMN COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCCC[C@H]3C)c2=O)cc1 ZINC000020438256 568607229 /nfs/dbraw/zinc/60/72/29/568607229.db2.gz AFOPQVHOZUHMNI-OAHLLOKOSA-N 0 1 423.465 4.452 50 10 HICAMN COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000334163501 568764137 /nfs/dbraw/zinc/76/41/37/568764137.db2.gz VDRGPSOCYDOOOH-PDGQHHTCSA-N 0 1 423.266 4.072 50 10 HICAMN COc1ccc(N2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)CC2)cc1 ZINC000054105948 569057510 /nfs/dbraw/zinc/05/75/10/569057510.db2.gz KIZGKKTWCCXTRD-UHFFFAOYSA-N 0 1 400.478 4.277 50 10 aggregator HICAMN COc1ccc(-c2cc3n(n2)CCCN(Cc2ccc(N(C)C)cc2)C3)cc1OC ZINC000065270400 569214050 /nfs/dbraw/zinc/21/40/50/569214050.db2.gz CAQCZDPEGVGMKO-UHFFFAOYSA-N 0 1 406.530 4.039 50 10 HICAMN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000037342266 569261298 /nfs/dbraw/zinc/26/12/98/569261298.db2.gz LKQHIGVTVXATLB-CXUHLZMHSA-N 0 1 416.480 4.332 50 10 HICAMN O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000001178846 845003048 /nfs/dbraw/zinc/00/30/48/845003048.db2.gz CYMMKJJSFDUJLM-WCSRMQSCSA-N 0 1 416.289 4.306 50 10 HICAMN COc1ccc(O)c(CN2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)c1 ZINC000055120381 849974587 /nfs/dbraw/zinc/97/45/87/849974587.db2.gz BQQMQQWCQGWDFC-UHFFFAOYSA-N 0 1 421.493 4.480 50 10 HICAMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 ZINC000002156382 132248980 /nfs/dbraw/zinc/24/89/80/132248980.db2.gz IUVWHVRJGQOOAW-CPNJWEJPSA-N 0 1 421.909 4.270 50 10 HICAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Cl ZINC000012363838 132359043 /nfs/dbraw/zinc/35/90/43/132359043.db2.gz QUZCDTRMAZRGHD-GDNBJRDFSA-N 0 1 414.914 4.187 50 10 HICAMN CCN(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000000677911 520275031 /nfs/dbraw/zinc/27/50/31/520275031.db2.gz QNENGVLZCZIQBH-HMMYKYKNSA-N 0 1 415.518 4.127 50 10 HICAMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1C(C)C ZINC000001185430 536557793 /nfs/dbraw/zinc/55/77/93/536557793.db2.gz PEDTUDZDEJIZSU-LFIBNONCSA-N 0 1 412.486 4.097 50 10 HICAMN Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1Cl ZINC000013943656 558605353 /nfs/dbraw/zinc/60/53/53/558605353.db2.gz CUQGNPQIUROKMN-YBEGLDIGSA-N 0 1 410.813 4.163 50 10 HICAMN COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000015011434 558700602 /nfs/dbraw/zinc/70/06/02/558700602.db2.gz PVXVYUCGACTAGE-VGOFMYFVSA-N 0 1 422.871 4.368 50 10 HICAMN CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(O)c1 ZINC000017160793 558824397 /nfs/dbraw/zinc/82/43/97/558824397.db2.gz HVTYHINGSHOUQG-BOPFTXTBSA-N 0 1 413.474 4.049 50 10 HICAMN [O-]c1ccc(-c2cnccn2)cc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000064057982 558961978 /nfs/dbraw/zinc/96/19/78/558961978.db2.gz JXACFOQHHGJNTN-UHFFFAOYSA-N 0 1 414.431 4.190 50 10 HICAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000100147686 559130587 /nfs/dbraw/zinc/13/05/87/559130587.db2.gz FCABZFMHXOWHAP-ODLFYWEKSA-N 0 1 410.836 4.485 50 10 HICAMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000100535514 559220371 /nfs/dbraw/zinc/22/03/71/559220371.db2.gz CWBQSGUNYIRMAD-STZFKDTASA-N 0 1 421.456 4.489 50 10 HICAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O ZINC000034221874 560589964 /nfs/dbraw/zinc/58/99/64/560589964.db2.gz CKOCMBIKZFNGHT-WDZFZDKYSA-N 0 1 423.277 4.379 50 10 HICAMN COc1cc(C)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1C(C)C ZINC000016182808 560859356 /nfs/dbraw/zinc/85/93/56/560859356.db2.gz KHSJRJNOAQEFAP-WQRHYEAKSA-N 0 1 412.486 4.097 50 10 HICAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1 ZINC000000842300 568689005 /nfs/dbraw/zinc/68/90/05/568689005.db2.gz FVXOJSQMTXOPJQ-MOSHPQCFSA-N 0 1 404.853 4.380 50 10 HICAMN COC(=O)C[C@@H](CC(C)C)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096220927 568704946 /nfs/dbraw/zinc/70/49/46/568704946.db2.gz HFGBAMKFULJEDN-CQSZACIVSA-N 0 1 412.438 4.270 50 10 HICAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C ZINC000096234380 568708417 /nfs/dbraw/zinc/70/84/17/568708417.db2.gz PNEDSBONFXAIRZ-MDWZMJQESA-N 0 1 421.305 4.142 50 10 HICAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(N2Cc3ccccc3C2)cc1 ZINC000004087185 568940805 /nfs/dbraw/zinc/94/08/05/568940805.db2.gz DNWGDSPPQASCDH-HMAPJEAMSA-N 0 1 415.493 4.001 50 10 HICAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1ccc2c(c1)OCO2 ZINC000085875462 569009519 /nfs/dbraw/zinc/00/95/19/569009519.db2.gz OHIQKDGDZQYALN-UHFFFAOYSA-N 0 1 419.393 4.012 50 10 HICAMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000027532438 569367677 /nfs/dbraw/zinc/36/76/77/569367677.db2.gz JBJOZIBDPWMTBH-UHFFFAOYSA-N 0 1 421.236 4.171 50 10 HICAMN CCN1C(=O)NC(=O)C(=Cc2cn(CCCOc3ccccc3)c3ccccc23)C1=O ZINC000002315181 569373073 /nfs/dbraw/zinc/37/30/73/569373073.db2.gz VRADQDSIIPLQFW-HMMYKYKNSA-N 0 1 417.465 4.432 50 10 HICAMN O=C1NN(c2ccccc2)C(=O)C1=Cc1cccc(OCCOc2ccccc2)c1 ZINC000008914866 571150683 /nfs/dbraw/zinc/15/06/83/571150683.db2.gz VKQKIHBNYJJKRS-XLNRJJMWSA-N 0 1 400.434 4.446 50 10 HICAMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 ZINC000002878703 845009697 /nfs/dbraw/zinc/00/96/97/845009697.db2.gz JSISJXVZLPWIMO-OQLLNIDSSA-N 0 1 421.305 4.223 50 10 HICAMN CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)ccc3O)C(=O)NC2=S)cc1 ZINC000000759593 132232497 /nfs/dbraw/zinc/23/24/97/132232497.db2.gz HYBZSKQMHGBUQO-XNTDXEJSSA-N 0 1 402.859 4.116 50 10 HICAMN COCCn1c(C)cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000002316127 132252628 /nfs/dbraw/zinc/25/26/28/132252628.db2.gz AINPFCVIYHJKNA-XDHOZWIPSA-N 0 1 411.527 4.040 50 10 HICAMN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)c1 ZINC000004724067 132285894 /nfs/dbraw/zinc/28/58/94/132285894.db2.gz XEEDAYRAAFLNRF-RGEXLXHISA-N 0 1 423.538 4.108 50 10 HICAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc2ccccc2c1 ZINC000009493463 132340446 /nfs/dbraw/zinc/34/04/46/132340446.db2.gz VUWVULGNVSSYKO-CJLVFECKSA-N 0 1 423.497 4.462 50 10 HICAMN CN1CCCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)N3CCCCC3)ccc21 ZINC000009137424 536397549 /nfs/dbraw/zinc/39/75/49/536397549.db2.gz XLHNSJBSIZAYCH-JOCHJYFZSA-N 0 1 413.512 4.304 50 10 HICAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1C ZINC000016266413 558782335 /nfs/dbraw/zinc/78/23/35/558782335.db2.gz HWYLXZZIGXZJPY-UYRXBGFRSA-N 0 1 418.474 4.046 50 10 HICAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNNc1cccc2ccccc21 ZINC000017058700 558813545 /nfs/dbraw/zinc/81/35/45/558813545.db2.gz BVHVTZZZXUHZIO-XDJHFCHBSA-N 0 1 404.470 4.449 50 10 HICAMN COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CCC4CCCCC4)C3)CC2)cc1 ZINC000055197402 558875593 /nfs/dbraw/zinc/87/55/93/558875593.db2.gz WOHZWNYSPZMABW-HSZRJFAPSA-N 0 1 413.606 4.169 50 10 HICAMN COc1ccc(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2=O)c(OC)c1 ZINC000004084766 568939895 /nfs/dbraw/zinc/93/98/95/568939895.db2.gz NTPUMNWZUGNZKA-HNNXBMFYSA-N 0 1 409.482 4.415 50 10 biogenic HICAMN COc1ccc(OC)c(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@H](C)C4)c3oc2=O)c1 ZINC000004084801 568939919 /nfs/dbraw/zinc/93/99/19/568939919.db2.gz LKFROINAGXQJQQ-HNNXBMFYSA-N 0 1 409.482 4.415 50 10 biogenic HICAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(C)c2O)N3)C1 ZINC000008927632 571160319 /nfs/dbraw/zinc/16/03/19/571160319.db2.gz FUWOKHNVSJZXKJ-MRXNPFEDSA-N 0 1 422.348 4.332 50 10 HICAMN O=C(Oc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1)c1ccccc1Cl ZINC000001118780 845002613 /nfs/dbraw/zinc/00/26/13/845002613.db2.gz QEWJKGOYYFGPFM-XMHGGMMESA-N 0 1 418.836 4.021 50 10 HICAMN Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 ZINC000009259365 132337734 /nfs/dbraw/zinc/33/77/34/132337734.db2.gz IUVWHVRJGQOOAW-UYRXBGFRSA-N 0 1 421.909 4.270 50 10 HICAMN CN(C)c1ccc(CN(Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000032593893 522174987 /nfs/dbraw/zinc/17/49/87/522174987.db2.gz SECRSKSATBESLL-OAQYLSRUSA-N 0 1 414.933 4.441 50 10 HICAMN CN(C)c1ccc(CN(Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000032593894 522177742 /nfs/dbraw/zinc/17/77/42/522177742.db2.gz SECRSKSATBESLL-NRFANRHFSA-N 0 1 414.933 4.441 50 10 HICAMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1C(C)C ZINC000001053432 536557646 /nfs/dbraw/zinc/55/76/46/536557646.db2.gz KHSJRJNOAQEFAP-WOJGMQOQSA-N 0 1 412.486 4.097 50 10 HICAMN CCn1c(C)cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C ZINC000015013381 558701182 /nfs/dbraw/zinc/70/11/82/558701182.db2.gz YIBAEHKHSMKOCQ-LCYFTJDESA-N 0 1 422.337 4.263 50 10 HICAMN O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000015769275 558752292 /nfs/dbraw/zinc/75/22/92/558752292.db2.gz ABMMUPQRDQISKP-LDADJPATSA-N 0 1 417.377 4.357 50 10 HICAMN CSc1ccc2c(c1)[C@H](N1CCN(CCCO)CC1)Cc1ccc(F)cc1S2 ZINC000033824213 558771532 /nfs/dbraw/zinc/77/15/32/558771532.db2.gz LPFRDGDSDQFNIT-HXUWFJFHSA-N 0 1 418.603 4.296 50 10 HICAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000006654910 568457074 /nfs/dbraw/zinc/45/70/74/568457074.db2.gz IGGGUAJDSOCMRB-OAHLLOKOSA-N 0 1 408.321 4.023 50 10 HICAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1ccccc1)CC(=O)O2 ZINC000096114636 568694256 /nfs/dbraw/zinc/69/42/56/568694256.db2.gz SJLGTZXETFNQGR-CQSZACIVSA-N 0 1 416.385 4.018 50 10 HICAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1C ZINC000096234384 568708373 /nfs/dbraw/zinc/70/83/73/568708373.db2.gz DUFUMWMCWRBOCC-GIDUJCDVSA-N 0 1 421.305 4.142 50 10 HICAMN O=C1NC(=O)C(=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)N1 ZINC000685944348 568722628 /nfs/dbraw/zinc/72/26/28/568722628.db2.gz DWCCUTZGQVXEHL-UHFFFAOYSA-N 0 1 422.444 4.110 50 10 HICAMN O=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c21 ZINC000004106873 568943448 /nfs/dbraw/zinc/94/34/48/568943448.db2.gz OFFHIRHTJUWKNF-UHFFFAOYSA-N 0 1 414.280 4.461 50 10 HICAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2cc(-c3nc4ccccc4n3C)c(=O)oc21 ZINC000004136453 568945384 /nfs/dbraw/zinc/94/53/84/568945384.db2.gz YUTUOAUIMNVUPQ-OAHLLOKOSA-N 0 1 403.482 4.427 50 10 HICAMN CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc12 ZINC000016689341 569070674 /nfs/dbraw/zinc/07/06/74/569070674.db2.gz NOBALLHARBCBCB-LGMDPLHJSA-N 0 1 420.465 4.209 50 10 HICAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000001195034 132241488 /nfs/dbraw/zinc/24/14/88/132241488.db2.gz VGJFEDZBOZBKJF-RCCKNPSSSA-N 0 1 414.486 4.097 50 10 HICAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000009171553 132336799 /nfs/dbraw/zinc/33/67/99/132336799.db2.gz FKRWZUSLCQXBSZ-VBKFSLOCSA-N 0 1 415.902 4.166 50 10 HICAMN COc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc54)[nH]n3)CC2)cc1 ZINC000044838795 524418315 /nfs/dbraw/zinc/41/83/15/524418315.db2.gz DEEAYOZALDOKSX-UHFFFAOYSA-N 0 1 412.493 4.201 50 10 HICAMN CCOc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1CO ZINC000012090248 558323868 /nfs/dbraw/zinc/32/38/68/558323868.db2.gz LEWKJIBUJYNJGY-CQSZACIVSA-N 0 1 401.457 4.201 50 10 HICAMN CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000015013462 558701211 /nfs/dbraw/zinc/70/12/11/558701211.db2.gz ASTBSELZCRNDBJ-UEIJICEPSA-N 0 1 408.523 4.312 50 10 HICAMN Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)c2ccccc21 ZINC000013576311 558844047 /nfs/dbraw/zinc/84/40/47/558844047.db2.gz BHIZKVMHZFTRFU-UYRXBGFRSA-N 0 1 411.486 4.163 50 10 HICAMN Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000004783819 559062855 /nfs/dbraw/zinc/06/28/55/559062855.db2.gz CTASRWCGDXERGZ-RCCKNPSSSA-N 0 1 418.493 4.369 50 10 HICAMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 ZINC000015800184 560857051 /nfs/dbraw/zinc/85/70/51/560857051.db2.gz LTJDZDKGPQIWSH-YVLHZVERSA-N 0 1 421.365 4.259 50 10 HICAMN Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc(N(C)C)cc2)C1)CCCC3 ZINC000012324743 568471933 /nfs/dbraw/zinc/47/19/33/568471933.db2.gz AJOMTVRFNFPICQ-IBGZPJMESA-N 0 1 417.509 4.191 50 10 HICAMN Cn1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCC2)cn1 ZINC000095472835 568628032 /nfs/dbraw/zinc/62/80/32/568628032.db2.gz DNSBTOUJULOUAB-UHFFFAOYSA-N 0 1 419.441 4.353 50 10 HICAMN COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 ZINC000057281400 568825961 /nfs/dbraw/zinc/82/59/61/568825961.db2.gz OTHZWGBOUMCETI-UHFFFAOYSA-N 0 1 401.510 4.270 50 10 HICAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000019828037 569430936 /nfs/dbraw/zinc/43/09/36/569430936.db2.gz FCABZFMHXOWHAP-YBFXNURJSA-N 0 1 410.836 4.485 50 10 HICAMN CCOc1cccc2c1OC1(CCN(C)CC1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 ZINC000010214521 571296769 /nfs/dbraw/zinc/29/67/69/571296769.db2.gz HQYDBTZHTWQEJY-FQEVSTJZSA-N 0 1 407.514 4.065 50 10 HICAMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000001133495 132238578 /nfs/dbraw/zinc/23/85/78/132238578.db2.gz BXTNLAKNMOGZBX-CPNJWEJPSA-N 0 1 419.481 4.065 50 10 HICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000001151563 132239293 /nfs/dbraw/zinc/23/92/93/132239293.db2.gz KKGFDHADCNMZHY-GZTJUZNOSA-N 0 1 410.401 4.056 50 10 HICAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000001194990 132241394 /nfs/dbraw/zinc/24/13/94/132241394.db2.gz CDCCCLRBBMZLPE-KGENOOAVSA-N 0 1 415.518 4.234 50 10 HICAMN COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000001199073 132241851 /nfs/dbraw/zinc/24/18/51/132241851.db2.gz TZBFQDLBLIOJCH-NTUHNPAUSA-N 0 1 421.305 4.142 50 10 HICAMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)c1C ZINC000004738845 132286338 /nfs/dbraw/zinc/28/63/38/132286338.db2.gz NLUXDKOBCDUEAU-HMMYKYKNSA-N 0 1 419.550 4.125 50 10 HICAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccnc1 ZINC000009009814 132334941 /nfs/dbraw/zinc/33/49/41/132334941.db2.gz WISOJRVDPMKGJR-VXLYETTFSA-N 0 1 420.469 4.300 50 10 HICAMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 ZINC000001071801 523417514 /nfs/dbraw/zinc/41/75/14/523417514.db2.gz XQHFMPRGQICYNV-LDADJPATSA-N 0 1 422.893 4.333 50 10 HICAMN CC(C)c1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2 ZINC000022459325 558490476 /nfs/dbraw/zinc/49/04/76/558490476.db2.gz XDBMBHVYXPBOPL-OAQYLSRUSA-N 0 1 400.563 4.307 50 10 HICAMN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000000687003 560725164 /nfs/dbraw/zinc/72/51/64/560725164.db2.gz HZSSTQZPXVEYEQ-XSFVSMFZSA-N 0 1 404.853 4.380 50 10 HICAMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)C1 ZINC000028890941 568812749 /nfs/dbraw/zinc/81/27/49/568812749.db2.gz KYUGURSNTALVRM-SFHVURJKSA-N 0 1 421.493 4.249 50 10 HICAMN CCc1cc(C)cc(OCCn2cc(C=C3C(=O)NC(=O)NC3=O)c3ccccc32)c1 ZINC000001213478 568831337 /nfs/dbraw/zinc/83/13/37/568831337.db2.gz MWKXWENLVDCOGR-UHFFFAOYSA-N 0 1 417.465 4.181 50 10 HICAMN COc1cccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)c1 ZINC000085877882 569009680 /nfs/dbraw/zinc/00/96/80/569009680.db2.gz NEUILVCAUCOYAY-UHFFFAOYSA-N 0 1 405.410 4.292 50 10 HICAMN Cc1nc2cc(NC=C3C(=O)N(c4ccc(Br)cc4)N=C3C)ccc2[nH]1 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CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)C1 ZINC000028890937 568812644 /nfs/dbraw/zinc/81/26/44/568812644.db2.gz KYUGURSNTALVRM-GOSISDBHSA-N 0 1 421.493 4.249 50 10 HICAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5n4C)c(=O)oc32)C1 ZINC000001293766 568913010 /nfs/dbraw/zinc/91/30/10/568913010.db2.gz VDZQHKHXEHZGGY-HNNXBMFYSA-N 0 1 403.482 4.284 50 10 biogenic HICAMN O=C(NN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S)c1cccs1 ZINC000010079031 569253218 /nfs/dbraw/zinc/25/32/18/569253218.db2.gz LSOCXJGSFYWPPZ-XYOKQWHBSA-N 0 1 414.455 4.313 50 10 HICAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013477242 569255709 /nfs/dbraw/zinc/25/57/09/569255709.db2.gz UWLMKDHRUMHXBT-PDGQHHTCSA-N 0 1 403.404 4.013 50 10 HICAMN Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000001773967 557286176 /nfs/dbraw/zinc/28/61/76/557286176.db2.gz HDBYUUGEVDWEPC-UHFFFAOYSA-N 0 1 411.866 4.225 50 10 HICAMN COC(=O)c1ccc(Oc2coc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)c2=O)cc1 ZINC000020437795 558363141 /nfs/dbraw/zinc/36/31/41/558363141.db2.gz YLDNFHXYLOOKQP-OAHLLOKOSA-N 0 1 423.465 4.309 50 10 HICAMN Cc1ccc(COc2ccccc2/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000015013882 558701160 /nfs/dbraw/zinc/70/11/60/558701160.db2.gz CTASRWCGDXERGZ-QNGOZBTKSA-N 0 1 418.493 4.369 50 10 HICAMN COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1O ZINC000004555305 558724309 /nfs/dbraw/zinc/72/43/09/558724309.db2.gz CUBNNJHRZZYMMS-KRWDZBQOSA-N 0 1 407.923 4.311 50 10 HICAMN CN(C)c1ccc([C@H]2NC[C@H](COc3ccc(Br)cc3Cl)O2)cc1 ZINC000057645763 558889514 /nfs/dbraw/zinc/88/95/14/558889514.db2.gz SFVAUENTLGIKHT-QAPCUYQASA-N 0 1 411.727 4.235 50 10 HICAMN COC(=O)c1ccc(NC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc1 ZINC000100423072 559135073 /nfs/dbraw/zinc/13/50/73/559135073.db2.gz TURCANMSSXWWJC-PDGQHHTCSA-N 0 1 406.467 4.192 50 10 HICAMN Oc1c([C@H](c2ccccn2)N2CCN(c3ccccc3F)CC2)ccc2cccnc21 ZINC000020192735 568593750 /nfs/dbraw/zinc/59/37/50/568593750.db2.gz JWBZBEGBWBYWNB-XMMPIXPASA-N 0 1 414.484 4.386 50 10 HICAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1ccccc1)CC(=O)O2 ZINC000096114635 568694288 /nfs/dbraw/zinc/69/42/88/568694288.db2.gz SJLGTZXETFNQGR-AWEZNQCLSA-N 0 1 416.385 4.018 50 10 HICAMN CN1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2[O-])CC1 ZINC000021486625 568704065 /nfs/dbraw/zinc/70/40/65/568704065.db2.gz VBMWOSHZIVCIKC-HXUWFJFHSA-N 0 1 401.432 4.296 50 10 HICAMN COc1ccc([C@@H](CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)N(C)C)cc1OC ZINC000006510047 569062043 /nfs/dbraw/zinc/06/20/43/569062043.db2.gz XVHZXNMUKXOVBN-JOCHJYFZSA-N 0 1 421.541 4.144 50 10 HICAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc21 ZINC000019938609 569064201 /nfs/dbraw/zinc/06/42/01/569064201.db2.gz PDDVWHNZUGPPBD-HNNXBMFYSA-N 0 1 407.466 4.311 50 10 HICAMN COc1ccc2ccccc2c1C=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000016975889 569270006 /nfs/dbraw/zinc/27/00/06/569270006.db2.gz 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CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c1O ZINC000015011111 558700582 /nfs/dbraw/zinc/70/05/82/558700582.db2.gz ITWPPNUYLYVVFW-YBEGLDIGSA-N 0 1 422.528 4.481 50 10 HICAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000015012824 558701057 /nfs/dbraw/zinc/70/10/57/558701057.db2.gz KKGFDHADCNMZHY-BOPFTXTBSA-N 0 1 410.401 4.056 50 10 HICAMN CCOC(=O)c1c2c(sc1N=Cc1c(C)[nH]n(-c3ccc(C)cc3)c1=O)CCC2 ZINC000103433367 559155823 /nfs/dbraw/zinc/15/58/23/559155823.db2.gz BEWQELAAOPSETJ-ATVHPVEESA-N 0 1 409.511 4.440 50 10 HICAMN COC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)sc2c1CC[C@@H](C)C2 ZINC000044827076 560897410 /nfs/dbraw/zinc/89/74/10/560897410.db2.gz OWTVTROZBMOCGL-LVLBFHFTSA-N 0 1 409.511 4.378 50 10 HICAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(-c4nc5ccccc5n4C)c(=O)oc32)C1 ZINC000001293767 568912999 /nfs/dbraw/zinc/91/29/99/568912999.db2.gz VDZQHKHXEHZGGY-OAHLLOKOSA-N 0 1 403.482 4.284 50 10 biogenic HICAMN COc1ccc(-c2coc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C)C3)c2=O)cc1OC ZINC000004064806 568937632 /nfs/dbraw/zinc/93/76/32/568937632.db2.gz UANRRQZZKNTIAU-OAHLLOKOSA-N 0 1 409.482 4.415 50 10 biogenic HICAMN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCc3ccccc3C2)cc1 ZINC000035349258 569033389 /nfs/dbraw/zinc/03/33/89/569033389.db2.gz NPOVIXRADCMFTO-VWLOTQADSA-N 0 1 417.528 4.421 50 10 HICAMN CCOc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000001302063 845004537 /nfs/dbraw/zinc/00/45/37/845004537.db2.gz AKWWHGBYRDAZQB-LDADJPATSA-N 0 1 405.479 4.249 50 10 HICAMN CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(O)c1 ZINC000001249524 132243331 /nfs/dbraw/zinc/24/33/31/132243331.db2.gz HVTYHINGSHOUQG-GZTJUZNOSA-N 0 1 413.474 4.049 50 10 HICAMN CN1CCN(c2ccccc2/C=C2\CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000044124223 523927330 /nfs/dbraw/zinc/92/73/30/523927330.db2.gz VILVQZDPIFCZSB-FBMGVBCBSA-N 0 1 415.459 4.278 50 10 HICAMN Cc1cccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000033149452 524152677 /nfs/dbraw/zinc/15/26/77/524152677.db2.gz HLZGLWHZUBSLRK-XNTDXEJSSA-N 0 1 401.285 4.429 50 10 HICAMN CCCN1CCN(c2cc(NC(C)C)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737947 534932424 /nfs/dbraw/zinc/93/24/24/534932424.db2.gz IPHHJUPLYTVHPM-UHFFFAOYSA-N 0 1 404.514 4.392 50 10 HICAMN COc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000002373833 536658282 /nfs/dbraw/zinc/65/82/82/536658282.db2.gz IQWOADPEBNULID-XDHOZWIPSA-N 0 1 419.506 4.062 50 10 HICAMN [O-]c1c(Cl)cc(Cl)cc1[C@H]1Nc2cc(-c3cccs3)nn2C2=[NH+]CCN21 ZINC000001048826 557158175 /nfs/dbraw/zinc/15/81/75/557158175.db2.gz VLDUZAGOIFYBEX-INIZCTEOSA-N 0 1 406.298 4.268 50 10 HICAMN COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc([N+](=O)[O-])c1O ZINC000015011109 558700530 /nfs/dbraw/zinc/70/05/30/558700530.db2.gz ZKAQYWGBFQWNGI-GDNBJRDFSA-N 0 1 408.501 4.091 50 10 HICAMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000022184927 558864340 /nfs/dbraw/zinc/86/43/40/558864340.db2.gz PAYGURWHPGSGLN-NTEUORMPSA-N 0 1 421.305 4.223 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CC[NH+](CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000004820024 132289443 /nfs/dbraw/zinc/28/94/43/132289443.db2.gz ALZPOUVKNKMCJR-RCCKNPSSSA-N 0 1 420.513 4.235 50 10 HICAMN CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(CO)[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000020215622 558348100 /nfs/dbraw/zinc/34/81/00/558348100.db2.gz WMNMKQZXAYJQET-NRLPKAJVSA-N 0 1 404.558 4.365 50 10 HICAMN [O-]c1c([C@H](c2cccs2)[NH+]2CCN(c3ccccn3)CC2)ccc2cccnc21 ZINC000013060044 558509716 /nfs/dbraw/zinc/50/97/16/558509716.db2.gz UUDVBJQQIBBGAH-JOCHJYFZSA-N 0 1 402.523 4.309 50 10 HICAMN CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000027551223 558674793 /nfs/dbraw/zinc/67/47/93/558674793.db2.gz HZKXXUCSIYAZRI-WJDWOHSUSA-N 0 1 404.297 4.301 50 10 HICAMN COc1cccc(-c2ccc(O)c(CN3CCN(c4ccccc4Cl)CC3)c2)n1 ZINC000014980436 558691156 /nfs/dbraw/zinc/69/11/56/558691156.db2.gz JFWDGDXPNFQEBH-UHFFFAOYSA-N 0 1 409.917 4.438 50 10 HICAMN CCc1ccccc1NC(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000055327447 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422.871 4.368 50 10 HICAMN