smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000218188410 568476143 /nfs/dbraw/zinc/47/61/43/568476143.db2.gz BJOCDESJOCJFCS-FQEVSTJZSA-N 0 0 409.482 4.992 50 70 HJIARN CC(C)[C@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C(C)C ZINC000218263939 568477050 /nfs/dbraw/zinc/47/70/50/568477050.db2.gz WQBQGJNFNYRQCH-NRFANRHFSA-N 0 0 402.498 4.586 50 70 HJIARN CC(C)[C@H](NC(=O)c1cn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C(C)C ZINC000218291887 568477784 /nfs/dbraw/zinc/47/77/84/568477784.db2.gz PUQRDFNMEJLLRU-QFIPXVFZSA-N 0 0 416.525 4.596 50 70 HJIARN O=C(c1nc2ccccc2s1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217798259 568912785 /nfs/dbraw/zinc/91/27/85/568912785.db2.gz HEOAVBFCRGXFRV-CQSZACIVSA-N 0 0 422.485 4.580 50 70 HJIARN CC(C)[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nc2ccccc2n1C(C)C ZINC000218276253 568477352 /nfs/dbraw/zinc/47/73/52/568477352.db2.gz NJIMMZHVLHAALC-NRFANRHFSA-N 0 0 402.502 4.529 50 70 HJIARN CCCc1cc(-c2nc(C)c(C(=O)N3CCO[C@H](c4ccccc4)C3)s2)ccn1 ZINC000218284241 568477438 /nfs/dbraw/zinc/47/74/38/568477438.db2.gz GISIJSJELYRGDA-FQEVSTJZSA-N 0 0 407.539 4.680 50 70 HJIARN CSCC[C@H](NC(=O)CCCc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000218312682 568478219 /nfs/dbraw/zinc/47/82/19/568478219.db2.gz GJVPZLIQJZXNOI-NRFANRHFSA-N 0 0 420.582 4.988 50 70 HJIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1nc(C)sc1-c1ccccc1 ZINC000218534564 568481498 /nfs/dbraw/zinc/48/14/98/568481498.db2.gz DAKOUYDEURIWDB-HNNXBMFYSA-N 0 0 420.538 4.606 50 70 HJIARN Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)CC2=O)cc1C ZINC000217493584 568885505 /nfs/dbraw/zinc/88/55/05/568885505.db2.gz FSOYBCLDPMCHSA-LEWJYISDSA-N 0 0 408.517 4.592 50 70 HJIARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)cc1OC ZINC000218010584 568922608 /nfs/dbraw/zinc/92/26/08/568922608.db2.gz OYHIGHMHRGDRTH-KRWDZBQOSA-N 0 0 422.477 4.813 50 70 biogenic HJIARN C[SiH](C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[SiH](C)C ZINC000169816110 569013281 /nfs/dbraw/zinc/01/32/81/569013281.db2.gz APNOJODNCBYYLL-UHFFFAOYSA-N 0 0 418.370 4.850 50 70 HJIARN O=C(c1nc2ccccc2s1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000217798179 568912806 /nfs/dbraw/zinc/91/28/06/568912806.db2.gz HEOAVBFCRGXFRV-AWEZNQCLSA-N 0 0 422.485 4.580 50 70 HJIARN Cn1nc(CN(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCCC2)cc1C1CC1 ZINC000217900370 568918628 /nfs/dbraw/zinc/91/86/28/568918628.db2.gz VLGUDVRWIDEWIQ-UHFFFAOYSA-N 0 0 407.436 4.781 50 70 HJIARN Cn1c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc2ccc(Cl)cc21 ZINC000218159808 568475917 /nfs/dbraw/zinc/47/59/17/568475917.db2.gz GZYGSPXVXKAKED-UHFFFAOYSA-N 0 0 403.309 4.609 50 70 HJIARN CC(C)C[C@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 ZINC000218268538 568477107 /nfs/dbraw/zinc/47/71/07/568477107.db2.gz GWQWXMZFSUBMPR-FQEVSTJZSA-N 0 0 410.587 4.880 50 70 HJIARN O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217662927 568903706 /nfs/dbraw/zinc/90/37/06/568903706.db2.gz VZAQWNXNDYFKEK-XMMPIXPASA-N 0 0 422.532 4.941 50 70 HJIARN CC[C@H](C)[C@H](NC(=O)C1(c2ccc(OC)cc2)CCOCC1)c1nc2ccccc2[nH]1 ZINC000217886856 568918181 /nfs/dbraw/zinc/91/81/81/568918181.db2.gz IBNFVIAQJZNQJP-JTSKRJEESA-N 0 0 421.541 4.523 50 70 biogenic HJIARN CC(C)[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1nc2ccccc2n1C ZINC000218513481 568481200 /nfs/dbraw/zinc/48/12/00/568481200.db2.gz UIKZUPYNYKGLFT-NRFANRHFSA-N 0 0 404.539 4.753 50 70 HJIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000218188352 568476128 /nfs/dbraw/zinc/47/61/28/568476128.db2.gz BJOCDESJOCJFCS-HXUWFJFHSA-N 0 0 409.482 4.992 50 70 HJIARN CSCC[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2n1C ZINC000218191203 568476208 /nfs/dbraw/zinc/47/62/08/568476208.db2.gz OFXDHGZLUFXKHV-IBGZPJMESA-N 0 0 406.555 4.529 50 70 HJIARN CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2n1C(C)C ZINC000218210895 568476361 /nfs/dbraw/zinc/47/63/61/568476361.db2.gz BHRVFYRQXXWTBF-NRFANRHFSA-N 0 0 402.502 4.529 50 70 HJIARN COc1cc2c(cc1OC)CN(C(=O)CCn1c3ccccc3c3c1CCCC3)CC2 ZINC000217890508 568474251 /nfs/dbraw/zinc/47/42/51/568474251.db2.gz AOZJOTUXVNESHB-UHFFFAOYSA-N 0 0 418.537 4.512 50 70 biogenic HJIARN CC(C)n1c(CCCNC(=O)c2cnc3c(Cl)cccc3c2O)nc2ccccc21 ZINC000218344148 568478837 /nfs/dbraw/zinc/47/88/37/568478837.db2.gz BCGMOGRSSMTHFZ-UHFFFAOYSA-N 0 0 422.916 4.887 50 70 HJIARN C[C@@](O)(CNC(=O)COc1ccc(Cl)cc1Cl)c1cc2ccccc2s1 ZINC000217505503 568886377 /nfs/dbraw/zinc/88/63/77/568886377.db2.gz DKRIYSUZYGHHGW-LJQANCHMSA-N 0 0 410.322 4.611 50 70 HJIARN O=C(NCCn1ccc(-c2ccsc2)n1)NC(c1ccccc1)c1ccccc1 ZINC000217891075 568918116 /nfs/dbraw/zinc/91/81/16/568918116.db2.gz TTYOLUNKFZNFED-UHFFFAOYSA-N 0 0 402.523 4.700 50 70 HJIARN COc1ccc(C(=O)c2cc3cccnc3s2)cc1NC(=O)c1cccnc1Cl ZINC000218198026 568476210 /nfs/dbraw/zinc/47/62/10/568476210.db2.gz RKQNZXHIXHIFLV-UHFFFAOYSA-N 0 0 423.881 4.837 50 70 HJIARN CC(C)[C@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2n1C ZINC000218263461 568477100 /nfs/dbraw/zinc/47/71/00/568477100.db2.gz HGBKPRKFHOQTKS-NRFANRHFSA-N 0 0 410.587 4.501 50 70 HJIARN COC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1c(O)cc(C)oc1=O ZINC000218532244 568880578 /nfs/dbraw/zinc/88/05/78/568880578.db2.gz OHZUZIDUQZANFJ-OAHLLOKOSA-N 0 0 416.514 4.649 50 70 HJIARN Cn1nc(CN(Cc2ccco2)C(=O)C2(c3cccs3)CCCC2)c2c1CCC2 ZINC000217905030 568919005 /nfs/dbraw/zinc/91/90/05/568919005.db2.gz KWLNXAZXEKPAJV-UHFFFAOYSA-N 0 0 409.555 4.604 50 70 HJIARN COCCn1cc(CCCC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21 ZINC000218011082 568922584 /nfs/dbraw/zinc/92/25/84/568922584.db2.gz IKKQDJSWMIKQHP-QHCPKHFHSA-N 0 0 405.542 4.759 50 70 biogenic HJIARN CC(C)[C@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1nc2ccccc2n1C(C)C ZINC000218354125 568929852 /nfs/dbraw/zinc/92/98/52/568929852.db2.gz VBHXPPDWLSVOIV-QHCPKHFHSA-N 0 0 416.525 4.596 50 70 HJIARN COc1cccc2c1ccn2CCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2n1C ZINC000218493624 568480938 /nfs/dbraw/zinc/48/09/38/568480938.db2.gz CWFBADUODNLEKQ-FQEVSTJZSA-N 0 0 418.541 4.830 50 70 HJIARN O=C(N1CC[C@H](n2cc(-c3ccccc3)nn2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000217657607 568903451 /nfs/dbraw/zinc/90/34/51/568903451.db2.gz MKVFUPYCLSEWFC-NRFANRHFSA-N 0 0 420.944 4.884 50 70 HJIARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1 ZINC000217972163 568921828 /nfs/dbraw/zinc/92/18/28/568921828.db2.gz PTBJCDHDGPTNSW-INIZCTEOSA-N 0 0 406.434 4.524 50 70 biogenic HJIARN CC(C)n1cc(CCCC(=O)Nc2ccc(Cn3cncn3)cc2)c2ccccc21 ZINC000218136653 568926245 /nfs/dbraw/zinc/92/62/45/568926245.db2.gz UXZCAGFIHIVNCQ-UHFFFAOYSA-N 0 0 401.514 4.823 50 70 HJIARN CC(C)C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2n1C ZINC000218352773 568478907 /nfs/dbraw/zinc/47/89/07/568478907.db2.gz FRWDOQFGIMTMCA-NRFANRHFSA-N 0 0 405.542 4.525 50 70 HJIARN CC(C)[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc2ccccc2n1C ZINC000218389876 568479597 /nfs/dbraw/zinc/47/95/97/568479597.db2.gz JFKFIMWUOSGATM-QHCPKHFHSA-N 0 0 402.498 4.674 50 70 HJIARN CCCc1cc(-c2nc(C)c(C(=O)N3CCO[C@@H](c4ccccc4)C3)s2)ccn1 ZINC000218284299 568477401 /nfs/dbraw/zinc/47/74/01/568477401.db2.gz GISIJSJELYRGDA-HXUWFJFHSA-N 0 0 407.539 4.680 50 70 HJIARN CC(C)C[C@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2n1C ZINC000218332497 568478594 /nfs/dbraw/zinc/47/85/94/568478594.db2.gz MBVWILJDPSHUSS-FQEVSTJZSA-N 0 0 424.614 4.891 50 70 HJIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccccc1C(F)(F)F ZINC000217877378 568917292 /nfs/dbraw/zinc/91/72/92/568917292.db2.gz AJLVDTTZICAITL-UHFFFAOYSA-N 0 0 405.445 4.938 50 70 HJIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000218231534 568476735 /nfs/dbraw/zinc/47/67/35/568476735.db2.gz YDAGDZAVTLYKOP-HXUWFJFHSA-N 0 0 403.434 4.611 50 70 HJIARN CC[C@H](C)[C@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 ZINC000218357887 568479218 /nfs/dbraw/zinc/47/92/18/568479218.db2.gz AMDHYBMSWXTRSE-UWJYYQICSA-N 0 0 410.587 4.880 50 70 HJIARN O=C(N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000217657530 568903441 /nfs/dbraw/zinc/90/34/41/568903441.db2.gz MKVFUPYCLSEWFC-OAQYLSRUSA-N 0 0 420.944 4.884 50 70 HJIARN COc1ccc(C2(C(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)CCOCC2)cc1 ZINC000217661030 568903618 /nfs/dbraw/zinc/90/36/18/568903618.db2.gz UJRAFMCQBSAJTK-QFIPXVFZSA-N 0 0 421.541 4.523 50 70 biogenic HJIARN O=C(CCn1ccc2ccc(Br)cc21)N1CCCC[C@H]1c1cccnc1 ZINC000218021225 568923457 /nfs/dbraw/zinc/92/34/57/568923457.db2.gz BQIHOJFZGZXMFF-IBGZPJMESA-N 0 0 412.331 4.943 50 70 biogenic HJIARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217505318 568886275 /nfs/dbraw/zinc/88/62/75/568886275.db2.gz IEFPKIXZCZANRE-NRFANRHFSA-N 0 0 403.931 4.736 50 70 HJIARN Cn1nc(CN(Cc2ccco2)C(=O)C2(c3cccs3)CCCC2)cc1C1CC1 ZINC000217896200 568918698 /nfs/dbraw/zinc/91/86/98/568918698.db2.gz DDNJRPVFRMHKBE-UHFFFAOYSA-N 0 0 409.555 4.993 50 70 HJIARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCc1cn(C)c2ccccc12 ZINC000218123830 569039132 /nfs/dbraw/zinc/03/91/32/569039132.db2.gz QQPJKLLXIMOLFJ-QFIPXVFZSA-N 0 0 401.510 4.795 50 70 biogenic HJIARN COc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)nn1 ZINC000217652407 568903430 /nfs/dbraw/zinc/90/34/30/568903430.db2.gz ZNBYPOFTVPMZIC-UHFFFAOYSA-N 0 0 406.442 4.667 50 70 HJIARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)ccc1O ZINC000217979442 568921852 /nfs/dbraw/zinc/92/18/52/568921852.db2.gz TUKCTBHPLJNKCR-INIZCTEOSA-N 0 0 408.450 4.510 50 70 biogenic HJIARN COc1cccc2c1ccn2CCC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000218222608 568476487 /nfs/dbraw/zinc/47/64/87/568476487.db2.gz MIULNFTXLMESJN-FQEVSTJZSA-N 0 0 404.514 4.820 50 70 HJIARN CC(C)[C@H](NC(=O)c1cc(=O)[nH]c2ccccc21)c1nc2ccccc2n1C(C)C ZINC000218259417 568476968 /nfs/dbraw/zinc/47/69/68/568476968.db2.gz ZOFYMIDLASMUAP-QFIPXVFZSA-N 0 0 402.498 4.586 50 70 HJIARN O=C(CSc1ccc(F)cc1)NCCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217878675 568917528 /nfs/dbraw/zinc/91/75/28/568917528.db2.gz UHJWHYBXLHPEEQ-UHFFFAOYSA-N 0 0 401.532 4.537 50 70 HJIARN COc1ccc(CCNC(=O)c2sc(Br)nc2-c2ccccc2)cc1 ZINC000218444785 568865504 /nfs/dbraw/zinc/86/55/04/568865504.db2.gz WPADWEZOKBACDR-UHFFFAOYSA-N 0 0 417.328 4.554 50 70 HJIARN COC(=O)C[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1c(O)cc(C)oc1=O ZINC000218532320 568880687 /nfs/dbraw/zinc/88/06/87/568880687.db2.gz OHZUZIDUQZANFJ-HNNXBMFYSA-N 0 0 416.514 4.649 50 70 HJIARN C[C@](O)(CNC(=O)COc1ccc(Cl)cc1Cl)c1cc2ccccc2s1 ZINC000217505589 568886388 /nfs/dbraw/zinc/88/63/88/568886388.db2.gz DKRIYSUZYGHHGW-IBGZPJMESA-N 0 0 410.322 4.611 50 70 HJIARN Cn1nc(CN(C(=O)COc2ccc(Cl)cc2Cl)C2CCCC2)c2c1CCC2 ZINC000217909110 568919024 /nfs/dbraw/zinc/91/90/24/568919024.db2.gz VDSISMZOJDTPHT-UHFFFAOYSA-N 0 0 422.356 4.566 50 70 HJIARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1 ZINC000217972245 568921773 /nfs/dbraw/zinc/92/17/73/568921773.db2.gz PTBJCDHDGPTNSW-MRXNPFEDSA-N 0 0 406.434 4.524 50 70 biogenic HJIARN COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)ccc1O ZINC000217979518 568921793 /nfs/dbraw/zinc/92/17/93/568921793.db2.gz TUKCTBHPLJNKCR-MRXNPFEDSA-N 0 0 408.450 4.510 50 70 biogenic HJIARN COc1ccc2c(ccn2CCC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)c1 ZINC000218256922 568476954 /nfs/dbraw/zinc/47/69/54/568476954.db2.gz RPFZGEHRJHVRFH-NRFANRHFSA-N 0 0 404.514 4.820 50 70 HJIARN Cn1nc(CN(Cc2ccco2)C(=O)c2cccc(C(F)(F)F)c2)cc1C1CC1 ZINC000217894603 568918660 /nfs/dbraw/zinc/91/86/60/568918660.db2.gz KBKOGIOXJBBEMV-UHFFFAOYSA-N 0 0 403.404 4.752 50 70 HJIARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)cc1OC ZINC000218010673 568922599 /nfs/dbraw/zinc/92/25/99/568922599.db2.gz OYHIGHMHRGDRTH-QGZVFWFLSA-N 0 0 422.477 4.813 50 70 biogenic HJIARN CCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCCC[C@H]3c3cccnc3)ccc12 ZINC000218017903 568923384 /nfs/dbraw/zinc/92/33/84/568923384.db2.gz YZOVYGDJSCDLBX-NRFANRHFSA-N 0 0 420.509 4.582 50 70 biogenic HJIARN Cn1cc(CCCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc21 ZINC000218393341 568479703 /nfs/dbraw/zinc/47/97/03/568479703.db2.gz TYZYLRHMORRUNY-UHFFFAOYSA-N 0 0 400.526 4.784 50 70 HJIARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217505389 568886399 /nfs/dbraw/zinc/88/63/99/568886399.db2.gz IEFPKIXZCZANRE-OAQYLSRUSA-N 0 0 403.931 4.736 50 70 HJIARN CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCCC[C@H]3c3cccnc3)c12 ZINC000218015262 568923477 /nfs/dbraw/zinc/92/34/77/568923477.db2.gz KMZMQGMPHOIKKD-FQEVSTJZSA-N 0 0 420.509 4.582 50 70 biogenic HJIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000218231605 568476752 /nfs/dbraw/zinc/47/67/52/568476752.db2.gz YDAGDZAVTLYKOP-FQEVSTJZSA-N 0 0 403.434 4.611 50 70 HJIARN O=C(CC1(n2cccc2)CCOCC1)NCCC(c1ccccc1)c1ccccc1 ZINC000218245067 568928715 /nfs/dbraw/zinc/92/87/15/568928715.db2.gz WDUPCZOOEROMCL-UHFFFAOYSA-N 0 0 402.538 4.722 50 70 HJIARN CC(C)[C@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2n1C(C)C ZINC000218229935 568476595 /nfs/dbraw/zinc/47/65/95/568476595.db2.gz CXVYQIYFMASRLK-NRFANRHFSA-N 0 0 402.502 4.529 50 70 HJIARN COc1ccc(C(=O)c2cc3cccnc3s2)cc1NC(=O)c1ccc(Cl)nc1 ZINC000218368338 568479255 /nfs/dbraw/zinc/47/92/55/568479255.db2.gz MEQMDDZXFBSUJR-UHFFFAOYSA-N 0 0 423.881 4.837 50 70 HJIARN COc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(F)c(Br)c1 ZINC000217645295 568901605 /nfs/dbraw/zinc/90/16/05/568901605.db2.gz TZDHZDLQNGRGID-MRXNPFEDSA-N 0 0 411.296 4.876 50 70 HJIARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 ZINC000217830648 568914732 /nfs/dbraw/zinc/91/47/32/568914732.db2.gz WIIPKGDYSKFNFQ-CQSZACIVSA-N 0 0 401.919 4.855 50 70 HJIARN Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)CC2=O)cc1C ZINC000217493672 568885468 /nfs/dbraw/zinc/88/54/68/568885468.db2.gz FSOYBCLDPMCHSA-SFTDATJTSA-N 0 0 408.517 4.592 50 70 HJIARN Cc1nc2sc([C@H](c3cccc(OC(F)F)c3)[N@@H+](C)C3CCCCC3)c([O-])n2n1 ZINC000218557552 568937453 /nfs/dbraw/zinc/93/74/53/568937453.db2.gz PNIGDTKCJFFPDB-INIZCTEOSA-N 0 0 422.501 4.760 50 70 HJIARN O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCc2c3ccccc3[nH]c2C1 ZINC000217979345 569039135 /nfs/dbraw/zinc/03/91/35/569039135.db2.gz OZNPUGJDCFKXMC-UHFFFAOYSA-N 0 0 412.518 4.672 50 70 biogenic HJIARN Cc1noc(-c2c3c(sc2NC(=O)C2(c4cccs4)CCCC2)COCC3)n1 ZINC000217964940 568921434 /nfs/dbraw/zinc/92/14/34/568921434.db2.gz LSJXTHBQXDHUQV-UHFFFAOYSA-N 0 0 415.540 4.691 50 70 HJIARN Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)[N@@H+](C)C3CCCCC3)c([O-])n2n1 ZINC000218557629 568937423 /nfs/dbraw/zinc/93/74/23/568937423.db2.gz PNIGDTKCJFFPDB-MRXNPFEDSA-N 0 0 422.501 4.760 50 70 HJIARN O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217663003 568903686 /nfs/dbraw/zinc/90/36/86/568903686.db2.gz VZAQWNXNDYFKEK-DEOSSOPVSA-N 0 0 422.532 4.941 50 70 HJIARN CSCC[C@H](NC(=O)c1cc(C(C)C)nc2onc(C)c21)c1nc2ccccc2[nH]1 ZINC000218596938 568482279 /nfs/dbraw/zinc/48/22/79/568482279.db2.gz WTJANUHNUAZAJW-KRWDZBQOSA-N 0 0 423.542 4.755 50 70 HJIARN Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)CC2=O)cc1C ZINC000217493820 568885560 /nfs/dbraw/zinc/88/55/60/568885560.db2.gz FSOYBCLDPMCHSA-RTWAWAEBSA-N 0 0 408.517 4.592 50 70 HJIARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 ZINC000217830580 568914693 /nfs/dbraw/zinc/91/46/93/568914693.db2.gz WIIPKGDYSKFNFQ-AWEZNQCLSA-N 0 0 401.919 4.855 50 70 HJIARN Cn1nc(CN(C(=O)c2ccccc2Br)C2CCCC2)cc1C1CC1 ZINC000217898704 568918658 /nfs/dbraw/zinc/91/86/58/568918658.db2.gz NEHOQWYJNSQIED-UHFFFAOYSA-N 0 0 402.336 4.645 50 70 HJIARN Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)CC2=O)cc1C ZINC000217493749 568885478 /nfs/dbraw/zinc/88/54/78/568885478.db2.gz FSOYBCLDPMCHSA-NHCUHLMSSA-N 0 0 408.517 4.592 50 70 HJIARN COc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(F)c(Br)c1 ZINC000217645395 568901609 /nfs/dbraw/zinc/90/16/09/568901609.db2.gz TZDHZDLQNGRGID-INIZCTEOSA-N 0 0 411.296 4.876 50 70 HJIARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCc1cn(C)c2ccccc12 ZINC000218123914 569039141 /nfs/dbraw/zinc/03/91/41/569039141.db2.gz QQPJKLLXIMOLFJ-JOCHJYFZSA-N 0 0 401.510 4.795 50 70 biogenic HJIARN