smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@@H]4C3)cnc2Cl)c1 ZINC001164419423 718907446 /nfs/dbraw/zinc/90/74/46/718907446.db2.gz AHOHYMRYQBMBAA-SCLBCKFNSA-N 0 0 423.847 4.860 20 5 HJBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cnc1Cl ZINC001164774869 721057872 /nfs/dbraw/zinc/05/78/72/721057872.db2.gz YVBKJLJVCQYALZ-HNAYVOBHSA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)nc1Cl ZINC001164771567 721058566 /nfs/dbraw/zinc/05/85/66/721058566.db2.gz MUPKNACXPKJGNE-DNVCBOLYSA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)nc1Cl ZINC001164771565 721058715 /nfs/dbraw/zinc/05/87/15/721058715.db2.gz MUPKNACXPKJGNE-BEFAXECRSA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)c1 ZINC001164764108 721058539 /nfs/dbraw/zinc/05/85/39/721058539.db2.gz BHFQRKHTQRAHRG-BEFAXECRSA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)nc1Cl ZINC001164771570 721058528 /nfs/dbraw/zinc/05/85/28/721058528.db2.gz MUPKNACXPKJGNE-KXBFYZLASA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cnc1Cl ZINC001164774867 721057929 /nfs/dbraw/zinc/05/79/29/721057929.db2.gz YVBKJLJVCQYALZ-BEFAXECRSA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC(F)(F)[C@H]4C3)cnc2Cl)c1 ZINC001164411075 718872369 /nfs/dbraw/zinc/87/23/69/718872369.db2.gz MABPNIMQJBKWSZ-NHYWBVRUSA-N 0 0 415.774 4.947 20 5 HJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4CCCO[C@@H]4C3)cnc2Cl)c1 ZINC001164419422 718906792 /nfs/dbraw/zinc/90/67/92/718906792.db2.gz AHOHYMRYQBMBAA-FZKQIMNGSA-N 0 0 423.847 4.860 20 5 HJBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)c1 ZINC001164764113 721058830 /nfs/dbraw/zinc/05/88/30/721058830.db2.gz BHFQRKHTQRAHRG-KXBFYZLASA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4CC(F)(F)[C@@H]4C3)cnc2Cl)c1 ZINC001164411074 718872532 /nfs/dbraw/zinc/87/25/32/718872532.db2.gz MABPNIMQJBKWSZ-IAQYHMDHSA-N 0 0 415.774 4.947 20 5 HJBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)c1 ZINC001164764109 721058666 /nfs/dbraw/zinc/05/86/66/721058666.db2.gz BHFQRKHTQRAHRG-DNVCBOLYSA-N 0 0 423.847 4.731 20 5 HJBDRN Cc1cc(CN(C)C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)n(C)n1 ZINC001165051402 721990911 /nfs/dbraw/zinc/99/09/11/721990911.db2.gz QAFINGTWBPXPRA-UHFFFAOYSA-N 0 0 421.835 4.533 20 5 HJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CCn4cccc4C3)cnc2Cl)c1 ZINC001165051301 721992101 /nfs/dbraw/zinc/99/21/01/721992101.db2.gz GYJQEJXAZZESRF-UHFFFAOYSA-N 0 0 404.804 4.677 20 5 HJBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cnc1Cl ZINC001164774868 721058013 /nfs/dbraw/zinc/05/80/13/721058013.db2.gz YVBKJLJVCQYALZ-DNVCBOLYSA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)c1 ZINC001164764111 721058495 /nfs/dbraw/zinc/05/84/95/721058495.db2.gz BHFQRKHTQRAHRG-HNAYVOBHSA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@H]4[C@H](CC4(F)F)C3)cnc2Cl)c1 ZINC001164411073 718872509 /nfs/dbraw/zinc/87/25/09/718872509.db2.gz MABPNIMQJBKWSZ-ABAIWWIYSA-N 0 0 415.774 4.947 20 5 HJBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)nc1Cl ZINC001164771569 721058489 /nfs/dbraw/zinc/05/84/89/721058489.db2.gz MUPKNACXPKJGNE-HNAYVOBHSA-N 0 0 423.847 4.731 20 5 HJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@H]4C3)cnc2Cl)c1 ZINC001164419424 718907238 /nfs/dbraw/zinc/90/72/38/718907238.db2.gz AHOHYMRYQBMBAA-UGSOOPFHSA-N 0 0 423.847 4.860 20 5 HJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3C[C@@H]4CC(F)(F)[C@@H]4C3)cnc2Cl)c1 ZINC001164411076 718872437 /nfs/dbraw/zinc/87/24/37/718872437.db2.gz MABPNIMQJBKWSZ-XHDPSFHLSA-N 0 0 415.774 4.947 20 5 HJBDRN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4CCCO[C@H]4C3)cnc2Cl)c1 ZINC001164419420 718907546 /nfs/dbraw/zinc/90/75/46/718907546.db2.gz AHOHYMRYQBMBAA-ACJLOTCBSA-N 0 0 423.847 4.860 20 5 HJBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)cnc1Cl ZINC001164774871 721058039 /nfs/dbraw/zinc/05/80/39/721058039.db2.gz YVBKJLJVCQYALZ-KXBFYZLASA-N 0 0 423.847 4.731 20 5 HJBDRN