smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@H]2CCCO[C@@H]21 ZINC001164656600 719325475 /nfs/dbraw/zinc/32/54/75/719325475.db2.gz YJKSFLITROAOJE-HSMVNMDESA-N -1 3 432.924 2.864 20 0 IFADHM O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164845264 720740604 /nfs/dbraw/zinc/74/06/04/720740604.db2.gz YNMZIDDBBHPEPA-UHFFFAOYSA-N -1 3 426.855 2.622 20 0 IFADHM O=C(N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164953028 722000979 /nfs/dbraw/zinc/00/09/79/722000979.db2.gz VUGQEMULZPMVKA-JQEORGNBSA-N -1 3 447.920 2.586 20 0 IFADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NCCc1ccc(Cl)cc1 ZINC000009597753 562973777 /nfs/dbraw/zinc/97/37/77/562973777.db2.gz BIRAQRQSBWGQAN-UHFFFAOYSA-N -1 3 437.768 2.801 20 0 IFADHM O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@@H]2CCCO[C@H]12 ZINC001164656602 719325298 /nfs/dbraw/zinc/32/52/98/719325298.db2.gz YJKSFLITROAOJE-OZVIIMIRSA-N -1 3 432.924 2.864 20 0 IFADHM O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@H]2CCCO[C@H]21 ZINC001164656603 719325453 /nfs/dbraw/zinc/32/54/53/719325453.db2.gz YJKSFLITROAOJE-XHBSWPGZSA-N -1 3 432.924 2.864 20 0 IFADHM O=S(=O)(c1ccccc1)N1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C1 ZINC001164874200 721308443 /nfs/dbraw/zinc/30/84/43/721308443.db2.gz BJOLPZIFHMGXEH-VXGBXAGGSA-N -1 3 446.932 2.721 20 0 IFADHM O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]21)NC1CCC1 ZINC001164933410 721896799 /nfs/dbraw/zinc/89/67/99/721896799.db2.gz LPDKDJLFPSDCPP-UHTWSYAYSA-N -1 3 432.924 2.864 20 0 IFADHM Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001164949543 721953153 /nfs/dbraw/zinc/95/31/53/721953153.db2.gz URMIKHZWECQXMX-QWHCGFSZSA-N -1 3 431.896 2.658 20 0 IFADHM O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C1 ZINC001164882080 721350514 /nfs/dbraw/zinc/35/05/14/721350514.db2.gz BXWRPYMGUMWSEX-KGLIPLIRSA-N -1 3 440.903 2.941 20 0 IFADHM Cc1noc(C)c1CN1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001164949531 721953215 /nfs/dbraw/zinc/95/32/15/721953215.db2.gz URMIKHZWECQXMX-CHWSQXEVSA-N -1 3 431.896 2.658 20 0 IFADHM O=C(N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164953026 722000934 /nfs/dbraw/zinc/00/09/34/722000934.db2.gz VUGQEMULZPMVKA-DVYJOKAKSA-N -1 3 447.920 2.586 20 0 IFADHM O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164959781 722034262 /nfs/dbraw/zinc/03/42/62/722034262.db2.gz RVZNCOMRGLXXKY-PXAZEXFGSA-N -1 3 425.892 2.891 20 0 IFADHM CS(=O)(=O)N1CCCC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164892838 721376708 /nfs/dbraw/zinc/37/67/08/721376708.db2.gz TVYKKMOESIAWMV-AWEZNQCLSA-N -1 3 426.942 2.748 20 0 IFADHM O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001165022241 721784560 /nfs/dbraw/zinc/78/45/60/721784560.db2.gz QQQHZNKFNBUMMA-MRXNPFEDSA-N -1 3 426.880 2.777 20 0 IFADHM CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2c2ccccc21 ZINC001164974041 722090395 /nfs/dbraw/zinc/09/03/95/722090395.db2.gz LYLMZIPQGPOXMW-PWSUYJOCSA-N -1 3 446.932 2.963 20 0 IFADHM O=C(c1ccccc1)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C1 ZINC001164882079 721350444 /nfs/dbraw/zinc/35/04/44/721350444.db2.gz BXWRPYMGUMWSEX-KBPBESRZSA-N -1 3 440.903 2.941 20 0 IFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001164791702 721474854 /nfs/dbraw/zinc/47/48/54/721474854.db2.gz XRKKTEJBZJOFSB-UHFFFAOYSA-N -1 3 438.895 2.973 20 0 IFADHM O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]21)NC1CCC1 ZINC001164933409 721896812 /nfs/dbraw/zinc/89/68/12/721896812.db2.gz LPDKDJLFPSDCPP-RTXFEEFZSA-N -1 3 432.924 2.864 20 0 IFADHM COC(=O)c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000035023261 522166430 /nfs/dbraw/zinc/16/64/30/522166430.db2.gz IBMSVYIXYROWOT-VCBZYWHSSA-N -1 3 438.427 2.742 20 0 IFADHM O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C[C@@H]2CCCO[C@@H]12 ZINC001164656601 719325383 /nfs/dbraw/zinc/32/53/83/719325383.db2.gz YJKSFLITROAOJE-HWWQOWPSSA-N -1 3 432.924 2.864 20 0 IFADHM O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164728206 720501937 /nfs/dbraw/zinc/50/19/37/720501937.db2.gz OCHQQBKBABRMSM-GUYCJALGSA-N -1 3 441.891 2.983 20 0 IFADHM O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164728205 720502029 /nfs/dbraw/zinc/50/20/29/720502029.db2.gz OCHQQBKBABRMSM-DYVFJYSZSA-N -1 3 441.891 2.983 20 0 IFADHM O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C1 ZINC001164882082 721350675 /nfs/dbraw/zinc/35/06/75/721350675.db2.gz BXWRPYMGUMWSEX-ZIAGYGMSSA-N -1 3 440.903 2.941 20 0 IFADHM O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164959783 722034361 /nfs/dbraw/zinc/03/43/61/722034361.db2.gz RVZNCOMRGLXXKY-SJCJKPOMSA-N -1 3 425.892 2.891 20 0 IFADHM CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2c2ccccc21 ZINC001164974037 722090444 /nfs/dbraw/zinc/09/04/44/722090444.db2.gz LYLMZIPQGPOXMW-JQWIXIFHSA-N -1 3 446.932 2.963 20 0 IFADHM COCCO[C@@H]1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]1Cc1cnn(C)c1 ZINC001165000852 722224281 /nfs/dbraw/zinc/22/42/81/722224281.db2.gz VBFULSFBKOBRHT-CHWSQXEVSA-N -1 3 433.912 2.550 20 0 IFADHM CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164724995 720315541 /nfs/dbraw/zinc/31/55/41/720315541.db2.gz UQWURFYCJYEDCW-LBPRGKRZSA-N -1 3 430.912 2.981 20 0 IFADHM O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164728204 720501915 /nfs/dbraw/zinc/50/19/15/720501915.db2.gz OCHQQBKBABRMSM-CXAGYDPISA-N -1 3 441.891 2.983 20 0 IFADHM O=C(c1ccccc1)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C1 ZINC001164882081 721350758 /nfs/dbraw/zinc/35/07/58/721350758.db2.gz BXWRPYMGUMWSEX-UONOGXRCSA-N -1 3 440.903 2.941 20 0 IFADHM O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21)NC1CCC1 ZINC001164933411 721896745 /nfs/dbraw/zinc/89/67/45/721896745.db2.gz LPDKDJLFPSDCPP-WXHSDQCUSA-N -1 3 432.924 2.864 20 0 IFADHM O=C(N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164953029 722001142 /nfs/dbraw/zinc/00/11/42/722001142.db2.gz VUGQEMULZPMVKA-ZDSQKVDBSA-N -1 3 447.920 2.586 20 0 IFADHM Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001164805956 721606445 /nfs/dbraw/zinc/60/64/45/721606445.db2.gz PZKBXQKOYLOCGV-QGZVFWFLSA-N -1 3 442.923 2.806 20 0 IFADHM O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164959787 722034395 /nfs/dbraw/zinc/03/43/95/722034395.db2.gz RVZNCOMRGLXXKY-YVEFUNNKSA-N -1 3 425.892 2.891 20 0 IFADHM CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21 ZINC001164969197 722080789 /nfs/dbraw/zinc/08/07/89/722080789.db2.gz IHYAAAGQYQJNOH-RDBSUJKOSA-N -1 3 442.923 2.676 20 0 IFADHM O=S(=O)(c1ccccc1)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C1 ZINC001164874188 721308602 /nfs/dbraw/zinc/30/86/02/721308602.db2.gz BJOLPZIFHMGXEH-RYUDHWBXSA-N -1 3 446.932 2.721 20 0 IFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001164905165 721580364 /nfs/dbraw/zinc/58/03/64/721580364.db2.gz UAMVXIQDKIVUGS-MRXNPFEDSA-N -1 3 428.896 2.629 20 0 IFADHM O=C(Nc1cccnc1)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164728207 720501738 /nfs/dbraw/zinc/50/17/38/720501738.db2.gz OCHQQBKBABRMSM-SUMWQHHRSA-N -1 3 441.891 2.983 20 0 IFADHM O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001164760999 721255110 /nfs/dbraw/zinc/25/51/10/721255110.db2.gz GVIZLBFQSNQAAK-RAIGVLPGSA-N -1 3 444.891 2.572 20 0 IFADHM O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001164760995 721255432 /nfs/dbraw/zinc/25/54/32/721255432.db2.gz GVIZLBFQSNQAAK-CYZMBNFOSA-N -1 3 444.891 2.572 20 0 IFADHM O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001164761001 721255691 /nfs/dbraw/zinc/25/56/91/721255691.db2.gz GVIZLBFQSNQAAK-WCFLWFBJSA-N -1 3 444.891 2.572 20 0 IFADHM Cn1ccc(CN2CCOCC23CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)CC3)n1 ZINC001164936805 721907489 /nfs/dbraw/zinc/90/74/89/721907489.db2.gz XAYNXLYVAYKVAV-UHFFFAOYSA-N -1 3 444.939 2.569 20 0 IFADHM CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21 ZINC001164969195 722080895 /nfs/dbraw/zinc/08/08/95/722080895.db2.gz IHYAAAGQYQJNOH-IHRRRGAJSA-N -1 3 442.923 2.676 20 0 IFADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Br)C(C)C ZINC000035154509 563089420 /nfs/dbraw/zinc/08/94/20/563089420.db2.gz RPURKZBJRZNJIY-NSHDSACASA-N -1 3 429.130 2.688 20 0 IFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164687409 719685775 /nfs/dbraw/zinc/68/57/75/719685775.db2.gz SOERITJDAGEQEF-UHFFFAOYSA-N -1 3 439.879 2.592 20 0 IFADHM CS(=O)(=O)N1CCCC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164892839 721376471 /nfs/dbraw/zinc/37/64/71/721376471.db2.gz TVYKKMOESIAWMV-CQSZACIVSA-N -1 3 426.942 2.748 20 0 IFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001164905164 721580521 /nfs/dbraw/zinc/58/05/21/721580521.db2.gz UAMVXIQDKIVUGS-INIZCTEOSA-N -1 3 428.896 2.629 20 0 IFADHM Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001164949552 721953183 /nfs/dbraw/zinc/95/31/83/721953183.db2.gz URMIKHZWECQXMX-STQMWFEESA-N -1 3 431.896 2.658 20 0 IFADHM CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2c2ccccc21 ZINC001164974045 722090327 /nfs/dbraw/zinc/09/03/27/722090327.db2.gz LYLMZIPQGPOXMW-ZYHUDNBSSA-N -1 3 446.932 2.963 20 0 IFADHM Cc1cc(Br)ccc1NC(=O)CC[N-]S(=O)(=O)c1cccc2nonc21 ZINC000003665271 562937617 /nfs/dbraw/zinc/93/76/17/562937617.db2.gz JVRVWFCVGXYFRZ-UHFFFAOYSA-N -1 3 439.291 2.601 20 0 IFADHM Cc1noc(C)c1CN1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]21 ZINC001164949540 721953113 /nfs/dbraw/zinc/95/31/13/721953113.db2.gz URMIKHZWECQXMX-OLZOCXBDSA-N -1 3 431.896 2.658 20 0 IFADHM O=C(N[C@@H]1CN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164953025 722001014 /nfs/dbraw/zinc/00/10/14/722001014.db2.gz VUGQEMULZPMVKA-DFAYQTQMSA-N -1 3 447.920 2.586 20 0 IFADHM CC(=O)N1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164969196 722080862 /nfs/dbraw/zinc/08/08/62/722080862.db2.gz IHYAAAGQYQJNOH-MELADBBJSA-N -1 3 442.923 2.676 20 0 IFADHM COCCO[C@H]1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]1Cc1cnn(C)c1 ZINC001165000864 722224380 /nfs/dbraw/zinc/22/43/80/722224380.db2.gz VBFULSFBKOBRHT-STQMWFEESA-N -1 3 433.912 2.550 20 0 IFADHM CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001164724994 720315114 /nfs/dbraw/zinc/31/51/14/720315114.db2.gz UQWURFYCJYEDCW-GFCCVEGCSA-N -1 3 430.912 2.981 20 0 IFADHM COCCO[C@H]1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@@H]1Cc1cnn(C)c1 ZINC001165000859 722224467 /nfs/dbraw/zinc/22/44/67/722224467.db2.gz VBFULSFBKOBRHT-OLZOCXBDSA-N -1 3 433.912 2.550 20 0 IFADHM COCCO[C@@H]1CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)[C@H]1Cc1cnn(C)c1 ZINC001165000862 722224547 /nfs/dbraw/zinc/22/45/47/722224547.db2.gz VBFULSFBKOBRHT-QWHCGFSZSA-N -1 3 433.912 2.550 20 0 IFADHM O=S(=O)(c1ccccc1)N1C[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C1 ZINC001164874198 721308540 /nfs/dbraw/zinc/30/85/40/721308540.db2.gz BJOLPZIFHMGXEH-TXEJJXNPSA-N -1 3 446.932 2.721 20 0 IFADHM O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001165022238 721784553 /nfs/dbraw/zinc/78/45/53/721784553.db2.gz QQQHZNKFNBUMMA-INIZCTEOSA-N -1 3 426.880 2.777 20 0 IFADHM O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164959785 722034258 /nfs/dbraw/zinc/03/42/58/722034258.db2.gz RVZNCOMRGLXXKY-SJKOYZFVSA-N -1 3 425.892 2.891 20 0 IFADHM CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2c2ccccc21 ZINC001164974033 722090420 /nfs/dbraw/zinc/09/04/20/722090420.db2.gz LYLMZIPQGPOXMW-CMPLNLGQSA-N -1 3 446.932 2.963 20 0 IFADHM COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2oc3ccccc3c2C)c(=O)[n-]c1=O ZINC000003345953 562934522 /nfs/dbraw/zinc/93/45/22/562934522.db2.gz FRRQUAWDFXNBCC-UHFFFAOYSA-N -1 3 448.479 2.667 20 0 IFADHM CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])CC2)CC1 ZINC001164617910 719036133 /nfs/dbraw/zinc/03/61/33/719036133.db2.gz PBJMZPXRDKNCLH-UHFFFAOYSA-N -1 3 446.882 2.617 20 0 IFADHM FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164653167 719328114 /nfs/dbraw/zinc/32/81/14/719328114.db2.gz GOAITFVJZNBTAA-UHFFFAOYSA-N -1 3 439.879 2.939 20 0 IFADHM O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@@H]21 ZINC001164760998 721255562 /nfs/dbraw/zinc/25/55/62/721255562.db2.gz GVIZLBFQSNQAAK-KGYLQXTDSA-N -1 3 444.891 2.572 20 0 IFADHM Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001164805955 721606495 /nfs/dbraw/zinc/60/64/95/721606495.db2.gz PZKBXQKOYLOCGV-KRWDZBQOSA-N -1 3 442.923 2.806 20 0 IFADHM O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]21)NC1CCC1 ZINC001164933408 721896737 /nfs/dbraw/zinc/89/67/37/721896737.db2.gz LPDKDJLFPSDCPP-DRZSPHRISA-N -1 3 432.924 2.864 20 0 IFADHM CC(=O)N1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969194 722080822 /nfs/dbraw/zinc/08/08/22/722080822.db2.gz IHYAAAGQYQJNOH-HZSPNIEDSA-N -1 3 442.923 2.676 20 0 IFADHM