smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C(NC1CC1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000217531093 474144159 /nfs/dbraw/zinc/14/41/59/474144159.db2.gz PGSDIRMFGYBOJM-BURFUSLBSA-N 1 1 331.529 2.918 40 70 EFIBMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1 ZINC000216909991 536362451 /nfs/dbraw/zinc/36/24/51/536362451.db2.gz WDXSVKRFYJABSF-OAHLLOKOSA-N 1 1 329.444 2.593 40 70 EFIBMO COc1ccccc1Nc1cc(N2CC[NH+](C)CC2)nc(SC)n1 ZINC000216851882 241214288 /nfs/dbraw/zinc/21/42/88/241214288.db2.gz OABXXWWWVQGERU-UHFFFAOYSA-N 1 1 345.472 2.703 40 70 EFIBMO CSc1nc(Nc2ccccc2F)cc(N2CC[NH+](C)CC2)n1 ZINC000216851031 241215867 /nfs/dbraw/zinc/21/58/67/241215867.db2.gz ASYWRHRNLXWGGU-UHFFFAOYSA-N 1 1 333.436 2.833 40 70 EFIBMO CN(C)C(=O)OCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000159505386 473034541 /nfs/dbraw/zinc/03/45/41/473034541.db2.gz RZKOSDXVBAWACS-UONOGXRCSA-N 1 1 346.349 2.511 40 70 EFIBMO C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1 ZINC000216910022 536382281 /nfs/dbraw/zinc/38/22/81/536382281.db2.gz WDXSVKRFYJABSF-HNNXBMFYSA-N 1 1 329.444 2.593 40 70 EFIBMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000216918565 564033971 /nfs/dbraw/zinc/03/39/71/564033971.db2.gz ILEKHUFRXVKNSA-BBRMVZONSA-N 1 1 332.444 2.755 40 70 EFIBMO COc1ccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)cc1Cl ZINC000216847710 241214933 /nfs/dbraw/zinc/21/49/33/241214933.db2.gz PBXFFAVGSWIOMK-UHFFFAOYSA-N 1 1 333.823 2.634 40 70 EFIBMO C[N@H+]1CCC[C@H](C(=O)Nc2ccc(I)cc2)C1 ZINC000216782332 277073178 /nfs/dbraw/zinc/07/31/78/277073178.db2.gz JTQGFGDLQIZZAD-JTQLQIEISA-N 1 1 344.196 2.572 40 70 EFIBMO COc1ccc(C)cc1Nc1cc(N2CC[NH+](C)CC2)nc(C)n1 ZINC000216850021 241215185 /nfs/dbraw/zinc/21/51/85/241215185.db2.gz PBJIDZNHNYPMIO-UHFFFAOYSA-N 1 1 327.432 2.597 40 70 EFIBMO C[NH+]1CCN(c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)CC1 ZINC000216847131 241215607 /nfs/dbraw/zinc/21/56/07/241215607.db2.gz OETSWXDGONOCAG-UHFFFAOYSA-N 1 1 337.349 2.991 40 70 EFIBMO CSc1nc(Nc2cccc(F)c2)cc(N2CC[NH+](C)CC2)n1 ZINC000216851071 241214338 /nfs/dbraw/zinc/21/43/38/241214338.db2.gz NAGSEXCSRHRPPO-UHFFFAOYSA-N 1 1 333.436 2.833 40 70 EFIBMO CN(C)C(=O)OCC[N@H+]1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000159505265 473034489 /nfs/dbraw/zinc/03/44/89/473034489.db2.gz RZKOSDXVBAWACS-ZIAGYGMSSA-N 1 1 346.349 2.511 40 70 EFIBMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000216908700 241220531 /nfs/dbraw/zinc/22/05/31/241220531.db2.gz CTTXOUQOKNGJLH-HNNXBMFYSA-N 1 1 335.879 2.639 40 70 EFIBMO C[NH+]1CCN(c2cc(Nc3cccc(Br)c3)ncn2)CC1 ZINC000216846619 241215472 /nfs/dbraw/zinc/21/54/72/241215472.db2.gz WPBLLEKNXBGTGD-UHFFFAOYSA-N 1 1 348.248 2.735 40 70 EFIBMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000216908671 241220894 /nfs/dbraw/zinc/22/08/94/241220894.db2.gz CTTXOUQOKNGJLH-OAHLLOKOSA-N 1 1 335.879 2.639 40 70 EFIBMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)C1 ZINC000216910049 536362208 /nfs/dbraw/zinc/36/22/08/536362208.db2.gz UYTYNZIKQZMPPD-MRXNPFEDSA-N 1 1 343.471 2.983 40 70 EFIBMO C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)C1 ZINC000216910079 536382138 /nfs/dbraw/zinc/38/21/38/536382138.db2.gz UYTYNZIKQZMPPD-INIZCTEOSA-N 1 1 343.471 2.983 40 70 EFIBMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(I)cc2)C1 ZINC000216782287 564033901 /nfs/dbraw/zinc/03/39/01/564033901.db2.gz JTQGFGDLQIZZAD-SNVBAGLBSA-N 1 1 344.196 2.572 40 70 EFIBMO C[NH+]1CCN(c2cc(Nc3ccc(Br)cc3)ncn2)CC1 ZINC000216846665 241214987 /nfs/dbraw/zinc/21/49/87/241214987.db2.gz KQCDLICAXWFCQU-UHFFFAOYSA-N 1 1 348.248 2.735 40 70 EFIBMO CCOc1ccccc1Nc1cc(N2CC[NH+](C)CC2)nc(C)n1 ZINC000216849729 241216076 /nfs/dbraw/zinc/21/60/76/241216076.db2.gz OWFNXCGFGNQHDE-UHFFFAOYSA-N 1 1 327.432 2.679 40 70 EFIBMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000216918540 564033980 /nfs/dbraw/zinc/03/39/80/564033980.db2.gz ILEKHUFRXVKNSA-CZUORRHYSA-N 1 1 332.444 2.755 40 70 EFIBMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000216918512 564033989 /nfs/dbraw/zinc/03/39/89/564033989.db2.gz ILEKHUFRXVKNSA-CJNGLKHVSA-N 1 1 332.444 2.755 40 70 EFIBMO CSc1nc(Nc2ccc(F)cc2)cc(N2CC[NH+](C)CC2)n1 ZINC000216851110 241214712 /nfs/dbraw/zinc/21/47/12/241214712.db2.gz KCWKQGILQOIPGC-UHFFFAOYSA-N 1 1 333.436 2.833 40 70 EFIBMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000216918594 564033991 /nfs/dbraw/zinc/03/39/91/564033991.db2.gz ILEKHUFRXVKNSA-XJKSGUPXSA-N 1 1 332.444 2.755 40 70 EFIBMO COc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)cc1 ZINC000216851966 241214737 /nfs/dbraw/zinc/21/47/37/241214737.db2.gz FVESILJQYLXMNJ-UHFFFAOYSA-N 1 1 345.472 2.703 40 70 EFIBMO C[NH+]1CCN(c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)CC1 ZINC000216847167 241215365 /nfs/dbraw/zinc/21/53/65/241215365.db2.gz IUGGRRHGYIYCDT-UHFFFAOYSA-N 1 1 337.349 2.991 40 70 EFIBMO COc1cccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)c1 ZINC000216851925 241215721 /nfs/dbraw/zinc/21/57/21/241215721.db2.gz FJXXNNKTDXVNID-UHFFFAOYSA-N 1 1 345.472 2.703 40 70 EFIBMO COc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)n2)cc1Cl ZINC000216850061 241215024 /nfs/dbraw/zinc/21/50/24/241215024.db2.gz LFWVFMFFLPUYBX-UHFFFAOYSA-N 1 1 347.850 2.942 40 70 EFIBMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000217567116 241260834 /nfs/dbraw/zinc/26/08/34/241260834.db2.gz UYLSVAPXNPDVOB-GOEBONIOSA-N 1 1 348.406 2.518 40 70 EFIBMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000217567116 241260837 /nfs/dbraw/zinc/26/08/37/241260837.db2.gz UYLSVAPXNPDVOB-GOEBONIOSA-N 1 1 348.406 2.518 40 70 EFIBMO