smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2c(NCc3ccc(N4CC[NH+](C)CC4)cc3)cc[nH+]c12 ZINC001167437635 931299296 /nfs/dbraw/zinc/29/92/96/931299296.db2.gz WPKIRDOKQVKOBX-UHFFFAOYSA-N 2 2 362.477 3.607 20 10 FHCDLP CC[C@@H](c1ccccc1O)[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000377640511 941864854 /nfs/dbraw/zinc/86/48/54/941864854.db2.gz BKJSAUPZHGITTB-NRFANRHFSA-N 2 2 353.510 3.877 20 10 FHCDLP CC[C@@H](c1ccccc1O)[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000377640511 941864857 /nfs/dbraw/zinc/86/48/57/941864857.db2.gz BKJSAUPZHGITTB-NRFANRHFSA-N 2 2 353.510 3.877 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(O)c1C ZINC000363855878 942861192 /nfs/dbraw/zinc/86/11/92/942861192.db2.gz BHBXXQPZKSWBPY-QUCCMNQESA-N 2 2 353.510 3.967 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(O)c1C ZINC000363855878 942861197 /nfs/dbraw/zinc/86/11/97/942861197.db2.gz BHBXXQPZKSWBPY-QUCCMNQESA-N 2 2 353.510 3.967 20 10 FHCDLP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)ccc1O ZINC000278960860 948340557 /nfs/dbraw/zinc/34/05/57/948340557.db2.gz MIRIKHMVJUEICC-IUODEOHRSA-N 2 2 364.287 3.655 20 10 FHCDLP CC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1O ZINC000274789856 928355851 /nfs/dbraw/zinc/35/58/51/928355851.db2.gz RHUKWMKMGHFHBY-IBGZPJMESA-N 2 2 354.498 3.881 20 10 FHCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000278793680 940025399 /nfs/dbraw/zinc/02/53/99/940025399.db2.gz QMMATKAQOHPQDA-GOPGUHFVSA-N 2 2 373.324 3.727 20 10 FHCDLP Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000273358130 942939737 /nfs/dbraw/zinc/93/97/37/942939737.db2.gz DFEABIXMXRZTQO-MRXNPFEDSA-N 2 2 354.498 3.799 20 10 FHCDLP CN1CCCc2cc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)ccc21 ZINC000272654124 943194480 /nfs/dbraw/zinc/19/44/80/943194480.db2.gz FTHUACYZSLNXLZ-UHFFFAOYSA-N 2 2 355.448 3.575 20 10 FHCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Br)c2O)C[C@H]1C ZINC000781907148 944108416 /nfs/dbraw/zinc/10/84/16/944108416.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 2 2 355.320 3.768 20 10 FHCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)cc(Br)c2O)C[C@H]1C ZINC000781907148 944108424 /nfs/dbraw/zinc/10/84/24/944108424.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 2 2 355.320 3.768 20 10 FHCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)cc(Br)c2O)C[C@H]1C ZINC000781907148 944108428 /nfs/dbraw/zinc/10/84/28/944108428.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 2 2 355.320 3.768 20 10 FHCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)cc(Br)c2O)C[C@H]1C ZINC000781907148 944108434 /nfs/dbraw/zinc/10/84/34/944108434.db2.gz DIYXSRORLJRCSQ-HIFRSBDPSA-N 2 2 355.320 3.768 20 10 FHCDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCSc3nccs3)CC2)cc1 ZINC000181773728 942611949 /nfs/dbraw/zinc/61/19/49/942611949.db2.gz JHMAPQWOIFUBJG-UHFFFAOYSA-N 2 2 372.563 3.751 20 10 FHCDLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1O ZINC000273449282 942959432 /nfs/dbraw/zinc/95/94/32/942959432.db2.gz FRXRFBYWCNLISE-CQSZACIVSA-N 2 2 358.461 3.630 20 10 FHCDLP CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCc1cc[nH+]c(N)c1)N=[N+]=[N-] ZINC001167612340 936087901 /nfs/dbraw/zinc/08/79/01/936087901.db2.gz BAVIMMHWDKVPCW-DHDCSXOGSA-N 2 2 367.413 3.502 20 10 FHCDLP C[N@H+](Cc1cc(Cl)ccc1O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377924173 942073470 /nfs/dbraw/zinc/07/34/70/942073470.db2.gz RQSCTSKRKOPYSG-UHFFFAOYSA-N 2 2 359.901 3.580 20 10 FHCDLP Cc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(O)c1 ZINC000273545345 942982073 /nfs/dbraw/zinc/98/20/73/942982073.db2.gz ZEJODDLRDACEKO-MRXNPFEDSA-N 2 2 354.498 3.799 20 10 FHCDLP C[NH+]1CCN(c2ccc(CNc3cc(-c4ccncc4)cc[nH+]3)cc2)CC1 ZINC001167426870 930949570 /nfs/dbraw/zinc/94/95/70/930949570.db2.gz MJCVCJULGHRGCX-UHFFFAOYSA-N 2 2 359.477 3.508 20 10 FHCDLP CCCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(CCC)[nH+]1 ZINC001167430995 931030928 /nfs/dbraw/zinc/03/09/28/931030928.db2.gz AQCGFOBQWYPSMQ-UHFFFAOYSA-N 2 2 367.541 3.746 20 10 FHCDLP COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c(O)c1OC ZINC000894491128 945801052 /nfs/dbraw/zinc/80/10/52/945801052.db2.gz VNYIWEBXNFWPBZ-UHFFFAOYSA-N 2 2 370.493 3.506 20 10 FHCDLP COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c(O)c1OC ZINC000894491128 945801060 /nfs/dbraw/zinc/80/10/60/945801060.db2.gz VNYIWEBXNFWPBZ-UHFFFAOYSA-N 2 2 370.493 3.506 20 10 FHCDLP Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000273358127 942939603 /nfs/dbraw/zinc/93/96/03/942939603.db2.gz DFEABIXMXRZTQO-INIZCTEOSA-N 2 2 354.498 3.799 20 10 FHCDLP c1ccc(N2CCC([NH2+]Cc3ccc(N4CCCCC4)cc3)CC2)[nH+]c1 ZINC000078969035 932562205 /nfs/dbraw/zinc/56/22/05/932562205.db2.gz LXHVYNUMXHKHAT-UHFFFAOYSA-N 2 2 350.510 3.831 20 10 FHCDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cc(C)c(C)cc3O)[C@H](C)C2)s1 ZINC000363528662 938966864 /nfs/dbraw/zinc/96/68/64/938966864.db2.gz QNEDRWQGVQIZOU-BEFAXECRSA-N 2 2 359.539 3.774 20 10 FHCDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cc(C)c(C)cc3O)[C@H](C)C2)s1 ZINC000363528662 938966865 /nfs/dbraw/zinc/96/68/65/938966865.db2.gz QNEDRWQGVQIZOU-BEFAXECRSA-N 2 2 359.539 3.774 20 10 FHCDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1O ZINC000273465295 942964158 /nfs/dbraw/zinc/96/41/58/942964158.db2.gz DQEBJGYXFTZCRX-LBPRGKRZSA-N 2 2 353.304 3.822 20 10 FHCDLP COc1cc(C)cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1O ZINC000894603479 944297664 /nfs/dbraw/zinc/29/76/64/944297664.db2.gz YHLBITWRUQOVMR-UHFFFAOYSA-N 2 2 372.431 3.604 20 10 FHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccsc3)CC2)cc1 ZINC000178423280 946229652 /nfs/dbraw/zinc/22/96/52/946229652.db2.gz NETCQXLBGVIXSQ-QGZVFWFLSA-N 2 2 359.539 3.620 20 10 FHCDLP CC[C@@H](c1ccccc1O)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000377689580 941903961 /nfs/dbraw/zinc/90/39/61/941903961.db2.gz BKCKSSDFGXBBBX-NBHGPNQESA-N 2 2 356.514 3.592 20 10 FHCDLP CC[C@@H](c1ccccc1O)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000377689580 941903964 /nfs/dbraw/zinc/90/39/64/941903964.db2.gz BKCKSSDFGXBBBX-NBHGPNQESA-N 2 2 356.514 3.592 20 10 FHCDLP CC[C@@H](c1ccccc1O)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377689580 941903967 /nfs/dbraw/zinc/90/39/67/941903967.db2.gz BKCKSSDFGXBBBX-NBHGPNQESA-N 2 2 356.514 3.592 20 10 FHCDLP CC[C@@H](c1ccccc1O)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000377689580 941903969 /nfs/dbraw/zinc/90/39/69/941903969.db2.gz BKCKSSDFGXBBBX-NBHGPNQESA-N 2 2 356.514 3.592 20 10 FHCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015704 942117586 /nfs/dbraw/zinc/11/75/86/942117586.db2.gz GMSMZEYFWVMUAO-LPHOPBHVSA-N 2 2 374.912 3.987 20 10 FHCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015704 942117589 /nfs/dbraw/zinc/11/75/89/942117589.db2.gz GMSMZEYFWVMUAO-LPHOPBHVSA-N 2 2 374.912 3.987 20 10 FHCDLP Oc1cc(F)c(F)cc1C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001279106004 928358382 /nfs/dbraw/zinc/35/83/82/928358382.db2.gz GQDIILKDTHVTLI-VQTJNVASSA-N 2 2 361.436 3.723 20 10 FHCDLP CC[C@H](c1ccccc1O)[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000377640512 941864754 /nfs/dbraw/zinc/86/47/54/941864754.db2.gz BKJSAUPZHGITTB-OAQYLSRUSA-N 2 2 353.510 3.877 20 10 FHCDLP CC[C@H](c1ccccc1O)[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000377640512 941864756 /nfs/dbraw/zinc/86/47/56/941864756.db2.gz BKJSAUPZHGITTB-OAQYLSRUSA-N 2 2 353.510 3.877 20 10 FHCDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@H](C)C2)s1 ZINC000377790476 941990369 /nfs/dbraw/zinc/99/03/69/941990369.db2.gz KJALLWDNRCNFJU-FOIQADDNSA-N 2 2 358.555 3.518 20 10 FHCDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@H](C)C2)s1 ZINC000377790476 941990373 /nfs/dbraw/zinc/99/03/73/941990373.db2.gz KJALLWDNRCNFJU-FOIQADDNSA-N 2 2 358.555 3.518 20 10 FHCDLP CN1CCCc2cc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000181628396 942584968 /nfs/dbraw/zinc/58/49/68/942584968.db2.gz OGGHQAYIJNIJAB-UHFFFAOYSA-N 2 2 374.532 3.695 20 10 FHCDLP CC[C@H](c1ccccc1O)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000377689579 941904140 /nfs/dbraw/zinc/90/41/40/941904140.db2.gz BKCKSSDFGXBBBX-LDQXTDLNSA-N 2 2 356.514 3.592 20 10 FHCDLP CC[C@H](c1ccccc1O)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000377689579 941904145 /nfs/dbraw/zinc/90/41/45/941904145.db2.gz BKCKSSDFGXBBBX-LDQXTDLNSA-N 2 2 356.514 3.592 20 10 FHCDLP CC[C@H](c1ccccc1O)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377689579 941904146 /nfs/dbraw/zinc/90/41/46/941904146.db2.gz BKCKSSDFGXBBBX-LDQXTDLNSA-N 2 2 356.514 3.592 20 10 FHCDLP CC[C@H](c1ccccc1O)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000377689579 941904150 /nfs/dbraw/zinc/90/41/50/941904150.db2.gz BKCKSSDFGXBBBX-LDQXTDLNSA-N 2 2 356.514 3.592 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015671 942109701 /nfs/dbraw/zinc/10/97/01/942109701.db2.gz GGEBSKPZLKSQSZ-PZJWPPBQSA-N 2 2 368.521 3.951 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015671 942109707 /nfs/dbraw/zinc/10/97/07/942109707.db2.gz GGEBSKPZLKSQSZ-PZJWPPBQSA-N 2 2 368.521 3.951 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(O)c1C ZINC000363855880 942860852 /nfs/dbraw/zinc/86/08/52/942860852.db2.gz BHBXXQPZKSWBPY-UYAOXDASSA-N 2 2 353.510 3.967 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(O)c1C ZINC000363855880 942860860 /nfs/dbraw/zinc/86/08/60/942860860.db2.gz BHBXXQPZKSWBPY-UYAOXDASSA-N 2 2 353.510 3.967 20 10 FHCDLP C[NH+]1CCN(c2ccc(CNc3cc4cc(F)ccc4c[nH+]3)cc2)CC1 ZINC001167426575 930949588 /nfs/dbraw/zinc/94/95/88/930949588.db2.gz KRIFPFHLZCCAHW-UHFFFAOYSA-N 2 2 350.441 3.738 20 10 FHCDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@@H](C)C2)s1 ZINC000377790479 941990742 /nfs/dbraw/zinc/99/07/42/941990742.db2.gz KJALLWDNRCNFJU-YWZLYKJASA-N 2 2 358.555 3.518 20 10 FHCDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@@H](C)C2)s1 ZINC000377790479 941990746 /nfs/dbraw/zinc/99/07/46/941990746.db2.gz KJALLWDNRCNFJU-YWZLYKJASA-N 2 2 358.555 3.518 20 10 FHCDLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cc3O)CC2)cs1 ZINC000363860725 942877921 /nfs/dbraw/zinc/87/79/21/942877921.db2.gz GVZLIODHDIYNAC-ZDUSSCGKSA-N 2 2 363.502 3.859 20 10 FHCDLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(Cl)c3O)[nH+]c2)CC1 ZINC000271788138 943050897 /nfs/dbraw/zinc/05/08/97/943050897.db2.gz GAKAIZMAXSIQOO-UHFFFAOYSA-N 2 2 360.889 3.583 20 10 FHCDLP CC(=O)c1cc(F)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1O ZINC000783031702 941783172 /nfs/dbraw/zinc/78/31/72/941783172.db2.gz VXLCRCVWSAIYQE-UHFFFAOYSA-N 2 2 359.445 3.623 20 10 FHCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015709 942126816 /nfs/dbraw/zinc/12/68/16/942126816.db2.gz GMSMZEYFWVMUAO-VQIMIIECSA-N 2 2 374.912 3.987 20 10 FHCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015709 942126822 /nfs/dbraw/zinc/12/68/22/942126822.db2.gz GMSMZEYFWVMUAO-VQIMIIECSA-N 2 2 374.912 3.987 20 10 FHCDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)c1 ZINC000729468469 944559356 /nfs/dbraw/zinc/55/93/56/944559356.db2.gz SSPHXIQGOQEFRD-UHFFFAOYSA-N 2 2 355.482 3.550 20 10 FHCDLP C[N@H+](CCC[NH2+]Cc1c(O)cccc1Br)Cc1ccccc1 ZINC000706861293 931796256 /nfs/dbraw/zinc/79/62/56/931796256.db2.gz CVTREYWCRGGESX-UHFFFAOYSA-N 2 2 363.299 3.766 20 10 FHCDLP C[N@@H+](CCC[NH2+]Cc1c(O)cccc1Br)Cc1ccccc1 ZINC000706861293 931796262 /nfs/dbraw/zinc/79/62/62/931796262.db2.gz CVTREYWCRGGESX-UHFFFAOYSA-N 2 2 363.299 3.766 20 10 FHCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000278793688 940025886 /nfs/dbraw/zinc/02/58/86/940025886.db2.gz QMMATKAQOHPQDA-YMRXKLBXSA-N 2 2 373.324 3.727 20 10 FHCDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(Br)ccc1O ZINC000273460882 942961954 /nfs/dbraw/zinc/96/19/54/942961954.db2.gz CPDVEFCNZUNSIF-GFCCVEGCSA-N 2 2 353.304 3.822 20 10 FHCDLP CC[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)ccc1O ZINC000278960859 948340391 /nfs/dbraw/zinc/34/03/91/948340391.db2.gz MIRIKHMVJUEICC-DOMZBBRYSA-N 2 2 364.287 3.655 20 10 FHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccsc3)CC2)cc1 ZINC000178423272 934086914 /nfs/dbraw/zinc/08/69/14/934086914.db2.gz NETCQXLBGVIXSQ-KRWDZBQOSA-N 2 2 359.539 3.620 20 10 FHCDLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(F)cc3O)CC2)cs1 ZINC000363860724 942877582 /nfs/dbraw/zinc/87/75/82/942877582.db2.gz GVZLIODHDIYNAC-CYBMUJFWSA-N 2 2 363.502 3.859 20 10 FHCDLP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)ccc1O ZINC000278960861 948340347 /nfs/dbraw/zinc/34/03/47/948340347.db2.gz MIRIKHMVJUEICC-SWLSCSKDSA-N 2 2 364.287 3.655 20 10 FHCDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(F)c(F)cc1O)Cc1ccccc12 ZINC001279106094 928646305 /nfs/dbraw/zinc/64/63/05/928646305.db2.gz HJQGLFFXCZKASC-UHFFFAOYSA-N 2 2 358.432 3.650 20 10 FHCDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(F)c(F)cc1O)Cc1ccccc12 ZINC001279106094 928646311 /nfs/dbraw/zinc/64/63/11/928646311.db2.gz HJQGLFFXCZKASC-UHFFFAOYSA-N 2 2 358.432 3.650 20 10 FHCDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC000181486115 942555696 /nfs/dbraw/zinc/55/56/96/942555696.db2.gz AFVCKTATHOMQRM-UHFFFAOYSA-N 2 2 374.532 3.913 20 10 FHCDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1O ZINC000363862793 942879943 /nfs/dbraw/zinc/87/99/43/942879943.db2.gz ZEYJVWRAUCFFNS-WCFLWFBJSA-N 2 2 357.267 3.571 20 10 FHCDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1O ZINC000363862793 942879951 /nfs/dbraw/zinc/87/99/51/942879951.db2.gz ZEYJVWRAUCFFNS-WCFLWFBJSA-N 2 2 357.267 3.571 20 10 FHCDLP COc1cc(C)cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)c1O ZINC000894307520 943419840 /nfs/dbraw/zinc/41/98/40/943419840.db2.gz JLMSRGIXDMWEJY-GOSISDBHSA-N 2 2 351.450 3.516 20 10 FHCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000278793683 940025308 /nfs/dbraw/zinc/02/53/08/940025308.db2.gz QMMATKAQOHPQDA-JECHBYEQSA-N 2 2 373.324 3.727 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(O)c1C ZINC000363855876 942861073 /nfs/dbraw/zinc/86/10/73/942861073.db2.gz BHBXXQPZKSWBPY-ICSRJNTNSA-N 2 2 353.510 3.967 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(O)c1C ZINC000363855876 942861078 /nfs/dbraw/zinc/86/10/78/942861078.db2.gz BHBXXQPZKSWBPY-ICSRJNTNSA-N 2 2 353.510 3.967 20 10 FHCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1O ZINC000363862792 942880105 /nfs/dbraw/zinc/88/01/05/942880105.db2.gz ZEYJVWRAUCFFNS-UHTWSYAYSA-N 2 2 357.267 3.571 20 10 FHCDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1O ZINC000363862792 942880107 /nfs/dbraw/zinc/88/01/07/942880107.db2.gz ZEYJVWRAUCFFNS-UHTWSYAYSA-N 2 2 357.267 3.571 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(O)c1C ZINC000273417949 942952113 /nfs/dbraw/zinc/95/21/13/942952113.db2.gz RGFMSNKNDBOGRP-SFHVURJKSA-N 2 2 354.494 3.692 20 10 FHCDLP CC[C@@H](c1ccccc1O)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377902572 942061477 /nfs/dbraw/zinc/06/14/77/942061477.db2.gz FRNXYUPBAFSZAR-NRFANRHFSA-N 2 2 353.510 3.877 20 10 FHCDLP CC[C@@H](c1ccccc1O)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377902572 942061480 /nfs/dbraw/zinc/06/14/80/942061480.db2.gz FRNXYUPBAFSZAR-NRFANRHFSA-N 2 2 353.510 3.877 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015669 942108727 /nfs/dbraw/zinc/10/87/27/942108727.db2.gz GGEBSKPZLKSQSZ-FPOVZHCZSA-N 2 2 368.521 3.951 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015669 942108728 /nfs/dbraw/zinc/10/87/28/942108728.db2.gz GGEBSKPZLKSQSZ-FPOVZHCZSA-N 2 2 368.521 3.951 20 10 FHCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015706 942119093 /nfs/dbraw/zinc/11/90/93/942119093.db2.gz GMSMZEYFWVMUAO-QFBILLFUSA-N 2 2 374.912 3.987 20 10 FHCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015706 942119097 /nfs/dbraw/zinc/11/90/97/942119097.db2.gz GMSMZEYFWVMUAO-QFBILLFUSA-N 2 2 374.912 3.987 20 10 FHCDLP COc1cc(C)cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1O ZINC000894307524 943419822 /nfs/dbraw/zinc/41/98/22/943419822.db2.gz JLMSRGIXDMWEJY-SFHVURJKSA-N 2 2 351.450 3.516 20 10 FHCDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162918661 947860182 /nfs/dbraw/zinc/86/01/82/947860182.db2.gz UKJULGJQXKKBAT-QGZVFWFLSA-N 2 2 372.488 3.600 20 10 FHCDLP COc1cccc2[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC001167426205 930949072 /nfs/dbraw/zinc/94/90/72/930949072.db2.gz BLKYXNFHGIVFJH-UHFFFAOYSA-N 2 2 362.477 3.607 20 10 FHCDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1O ZINC000363862791 942880174 /nfs/dbraw/zinc/88/01/74/942880174.db2.gz ZEYJVWRAUCFFNS-DRZSPHRISA-N 2 2 357.267 3.571 20 10 FHCDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)cc(F)c1O ZINC000363862791 942880177 /nfs/dbraw/zinc/88/01/77/942880177.db2.gz ZEYJVWRAUCFFNS-DRZSPHRISA-N 2 2 357.267 3.571 20 10 FHCDLP CC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1O ZINC000274789860 928355974 /nfs/dbraw/zinc/35/59/74/928355974.db2.gz RHUKWMKMGHFHBY-LJQANCHMSA-N 2 2 354.498 3.881 20 10 FHCDLP C[NH+]1CCN(c2ccc(CNc3[nH+]ccc4cc(F)ccc43)cc2)CC1 ZINC001167427048 930951024 /nfs/dbraw/zinc/95/10/24/930951024.db2.gz VLZFPCKAAKAPNQ-UHFFFAOYSA-N 2 2 350.441 3.738 20 10 FHCDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@H](C)C2)s1 ZINC000377790478 941990429 /nfs/dbraw/zinc/99/04/29/941990429.db2.gz KJALLWDNRCNFJU-QRWLVFNGSA-N 2 2 358.555 3.518 20 10 FHCDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@H](C)C2)s1 ZINC000377790478 941990436 /nfs/dbraw/zinc/99/04/36/941990436.db2.gz KJALLWDNRCNFJU-QRWLVFNGSA-N 2 2 358.555 3.518 20 10 FHCDLP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(O)cc1Br ZINC001279823326 944957371 /nfs/dbraw/zinc/95/73/71/944957371.db2.gz HBVGPHBVKDNSAP-SFHVURJKSA-N 2 2 367.331 3.771 20 10 FHCDLP Cc1cc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)cc1Br ZINC001279823326 944957375 /nfs/dbraw/zinc/95/73/75/944957375.db2.gz HBVGPHBVKDNSAP-SFHVURJKSA-N 2 2 367.331 3.771 20 10 FHCDLP Cc1cc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)cc1Br ZINC001279823326 944957378 /nfs/dbraw/zinc/95/73/78/944957378.db2.gz HBVGPHBVKDNSAP-SFHVURJKSA-N 2 2 367.331 3.771 20 10 FHCDLP Cc1cc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)cc1Br ZINC001279823326 944957383 /nfs/dbraw/zinc/95/73/83/944957383.db2.gz HBVGPHBVKDNSAP-SFHVURJKSA-N 2 2 367.331 3.771 20 10 FHCDLP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)ccc1O ZINC000278960862 948340201 /nfs/dbraw/zinc/34/02/01/948340201.db2.gz MIRIKHMVJUEICC-WFASDCNBSA-N 2 2 364.287 3.655 20 10 FHCDLP CC[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1O ZINC000364357157 944446558 /nfs/dbraw/zinc/44/65/58/944446558.db2.gz CVLDVCQVGXJUIN-OAQYLSRUSA-N 3 2 359.558 3.629 20 10 FHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cccs3)CC2)cc1 ZINC000162807297 945909003 /nfs/dbraw/zinc/90/90/03/945909003.db2.gz OIBUWDCGMSMYTG-KRWDZBQOSA-N 2 2 359.539 3.620 20 10 FHCDLP COc1cc(Cl)cc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)c1O ZINC000359962564 132375935 /nfs/dbraw/zinc/37/59/35/132375935.db2.gz VNBDWJJZZMXULG-UHFFFAOYSA-N 2 2 361.873 3.550 20 10 FHCDLP COc1cc(Cl)cc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)c1O ZINC000359962564 132375936 /nfs/dbraw/zinc/37/59/36/132375936.db2.gz VNBDWJJZZMXULG-UHFFFAOYSA-N 2 2 361.873 3.550 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015661 942102472 /nfs/dbraw/zinc/10/24/72/942102472.db2.gz GGEBSKPZLKSQSZ-CTNGQTDRSA-N 2 2 368.521 3.951 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015661 942102477 /nfs/dbraw/zinc/10/24/77/942102477.db2.gz GGEBSKPZLKSQSZ-CTNGQTDRSA-N 2 2 368.521 3.951 20 10 FHCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1O ZINC000363862790 942880069 /nfs/dbraw/zinc/88/00/69/942880069.db2.gz ZEYJVWRAUCFFNS-CYZMBNFOSA-N 2 2 357.267 3.571 20 10 FHCDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)cc(F)c1O ZINC000363862790 942880070 /nfs/dbraw/zinc/88/00/70/942880070.db2.gz ZEYJVWRAUCFFNS-CYZMBNFOSA-N 2 2 357.267 3.571 20 10 FHCDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(Br)ccc1O ZINC000273460883 942962275 /nfs/dbraw/zinc/96/22/75/942962275.db2.gz CPDVEFCNZUNSIF-LBPRGKRZSA-N 2 2 353.304 3.822 20 10 FHCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cccs3)CC2)cc1 ZINC000162807412 945910236 /nfs/dbraw/zinc/91/02/36/945910236.db2.gz OIBUWDCGMSMYTG-QGZVFWFLSA-N 2 2 359.539 3.620 20 10 FHCDLP Cc1cc(O)c(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c(Cl)c1 ZINC000840882901 946433961 /nfs/dbraw/zinc/43/39/61/946433961.db2.gz BWEPPOGSTUFZIA-INIZCTEOSA-N 2 2 374.912 3.865 20 10 FHCDLP Cc1cc(O)c(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(Cl)c1 ZINC000840882901 946433968 /nfs/dbraw/zinc/43/39/68/946433968.db2.gz BWEPPOGSTUFZIA-INIZCTEOSA-N 2 2 374.912 3.865 20 10 FHCDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000162918547 947860077 /nfs/dbraw/zinc/86/00/77/947860077.db2.gz UKJULGJQXKKBAT-KRWDZBQOSA-N 2 2 372.488 3.600 20 10 FHCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015701 942120732 /nfs/dbraw/zinc/12/07/32/942120732.db2.gz GMSMZEYFWVMUAO-APWZRJJASA-N 2 2 374.912 3.987 20 10 FHCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(Cl)ccc1O ZINC000760015701 942120737 /nfs/dbraw/zinc/12/07/37/942120737.db2.gz GMSMZEYFWVMUAO-APWZRJJASA-N 2 2 374.912 3.987 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(O)c1C ZINC000363855871 942861102 /nfs/dbraw/zinc/86/11/02/942861102.db2.gz BHBXXQPZKSWBPY-AZUAARDMSA-N 2 2 353.510 3.967 20 10 FHCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(O)c1C ZINC000363855871 942861106 /nfs/dbraw/zinc/86/11/06/942861106.db2.gz BHBXXQPZKSWBPY-AZUAARDMSA-N 2 2 353.510 3.967 20 10 FHCDLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(F)cc1O ZINC000273449280 942959343 /nfs/dbraw/zinc/95/93/43/942959343.db2.gz FRXRFBYWCNLISE-AWEZNQCLSA-N 2 2 358.461 3.630 20 10 FHCDLP CC[N@@H+](Cc1cc(OC)c(C)cc1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160321565 929786230 /nfs/dbraw/zinc/78/62/30/929786230.db2.gz RXCPRAGFJFUTBP-UHFFFAOYSA-N 2 2 369.509 3.843 20 10 FHCDLP CC[N@H+](Cc1cc(OC)c(C)cc1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160321565 929786233 /nfs/dbraw/zinc/78/62/33/929786233.db2.gz RXCPRAGFJFUTBP-UHFFFAOYSA-N 2 2 369.509 3.843 20 10 FHCDLP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]cc1C(F)(F)F ZINC001167427026 930951069 /nfs/dbraw/zinc/95/10/69/930951069.db2.gz ULNCXRLJASCSEZ-UHFFFAOYSA-N 2 2 364.415 3.773 20 10 FHCDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@@H](C)C2)s1 ZINC000377790477 941990613 /nfs/dbraw/zinc/99/06/13/941990613.db2.gz KJALLWDNRCNFJU-MGPUTAFESA-N 2 2 358.555 3.518 20 10 FHCDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@@H](C)C2)s1 ZINC000377790477 941990616 /nfs/dbraw/zinc/99/06/16/941990616.db2.gz KJALLWDNRCNFJU-MGPUTAFESA-N 2 2 358.555 3.518 20 10 FHCDLP CC[C@H](c1ccccc1O)[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377902576 942061343 /nfs/dbraw/zinc/06/13/43/942061343.db2.gz FRNXYUPBAFSZAR-OAQYLSRUSA-N 2 2 353.510 3.877 20 10 FHCDLP CC[C@H](c1ccccc1O)[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377902576 942061347 /nfs/dbraw/zinc/06/13/47/942061347.db2.gz FRNXYUPBAFSZAR-OAQYLSRUSA-N 2 2 353.510 3.877 20 10 FHCDLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000045094653 935606641 /nfs/dbraw/zinc/60/66/41/935606641.db2.gz RYPDXBVTTUWUNZ-HNNXBMFYSA-N 2 2 352.276 3.872 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(O)c1C ZINC000273417945 942952440 /nfs/dbraw/zinc/95/24/40/942952440.db2.gz RGFMSNKNDBOGRP-GOSISDBHSA-N 2 2 354.494 3.692 20 10 FHCDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185047261 943087996 /nfs/dbraw/zinc/08/79/96/943087996.db2.gz CZQOUBVPLIFRGS-KRWDZBQOSA-N 2 2 371.500 3.520 20 10 FHCDLP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185047261 943088005 /nfs/dbraw/zinc/08/80/05/943088005.db2.gz CZQOUBVPLIFRGS-KRWDZBQOSA-N 2 2 371.500 3.520 20 10 FHCDLP Cc1cc(O)c(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(Cl)c1 ZINC000840882902 946434089 /nfs/dbraw/zinc/43/40/89/946434089.db2.gz BWEPPOGSTUFZIA-MRXNPFEDSA-N 2 2 374.912 3.865 20 10 FHCDLP Cc1cc(O)c(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(Cl)c1 ZINC000840882902 946434100 /nfs/dbraw/zinc/43/41/00/946434100.db2.gz BWEPPOGSTUFZIA-MRXNPFEDSA-N 2 2 374.912 3.865 20 10 FHCDLP COc1ccc(N2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000162872664 948815322 /nfs/dbraw/zinc/81/53/22/948815322.db2.gz OOANWENDPKGAGB-UHFFFAOYSA-N 2 2 354.498 3.541 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015673 942111029 /nfs/dbraw/zinc/11/10/29/942111029.db2.gz GGEBSKPZLKSQSZ-TZIWHRDSSA-N 2 2 368.521 3.951 20 10 FHCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1C ZINC000760015673 942111033 /nfs/dbraw/zinc/11/10/33/942111033.db2.gz GGEBSKPZLKSQSZ-TZIWHRDSSA-N 2 2 368.521 3.951 20 10 FHCDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Br)cc1O ZINC000273465292 942964218 /nfs/dbraw/zinc/96/42/18/942964218.db2.gz DQEBJGYXFTZCRX-GFCCVEGCSA-N 2 2 353.304 3.822 20 10 FHCDLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc(F)ccc1O ZINC000273534414 942979847 /nfs/dbraw/zinc/97/98/47/942979847.db2.gz WZLOJIWXIUEQOR-AWEZNQCLSA-N 2 2 358.461 3.630 20 10 FHCDLP Cc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(O)c1 ZINC000273545342 942982021 /nfs/dbraw/zinc/98/20/21/942982021.db2.gz ZEJODDLRDACEKO-INIZCTEOSA-N 2 2 354.498 3.799 20 10 FHCDLP COc1ccc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)[nH+]cc2c1 ZINC001167427054 930950495 /nfs/dbraw/zinc/95/04/95/930950495.db2.gz VUFWRGFNKSKBAF-UHFFFAOYSA-N 2 2 362.477 3.607 20 10 FHCDLP COc1ccc2ccc(O)c(C[NH+]3CCN(c4cc(C)cc[nH+]4)CC3)c2c1 ZINC000165875220 941163474 /nfs/dbraw/zinc/16/34/74/941163474.db2.gz ASKPSZJDVQXPBN-UHFFFAOYSA-N 2 2 363.461 3.580 20 10 FHCDLP CC[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1O ZINC000364357153 944446709 /nfs/dbraw/zinc/44/67/09/944446709.db2.gz CVLDVCQVGXJUIN-NRFANRHFSA-N 3 2 359.558 3.629 20 10 FHCDLP COc1cc(C)cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1O ZINC000894310579 943879821 /nfs/dbraw/zinc/87/98/21/943879821.db2.gz ULNGUQOWFTVCJK-UHFFFAOYSA-N 2 2 369.509 3.534 20 10 FHCDLP C[NH+](C)CC1CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC000708210980 937163365 /nfs/dbraw/zinc/16/33/65/937163365.db2.gz JLLUJLZDFPFIIE-UHFFFAOYSA-N 2 2 361.711 3.582 20 10 FHCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000278793685 940025506 /nfs/dbraw/zinc/02/55/06/940025506.db2.gz QMMATKAQOHPQDA-MZPVMMEZSA-N 2 2 373.324 3.727 20 10 FHCDLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc(F)ccc1O ZINC000273534420 942980242 /nfs/dbraw/zinc/98/02/42/942980242.db2.gz WZLOJIWXIUEQOR-CQSZACIVSA-N 2 2 358.461 3.630 20 10 FHCDLP