smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CNC(=O)C[NH+]2Cc3ccccc3C2)c2cccnc12 ZINC000217063758 241236230 /nfs/dbraw/zinc/23/62/30/241236230.db2.gz QBSXMDXWERRXID-UHFFFAOYSA-N 1 2 331.419 3.175 50 70 EGIALO Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)CCCc1[nH+]ccn1C ZINC000218730113 241341680 /nfs/dbraw/zinc/34/16/80/241341680.db2.gz OEKUCNOKGALEQM-CQSZACIVSA-N 1 2 349.862 3.240 50 70 EGIALO CSc1ccc(CC(=O)NCc2ccc3[nH]c(C)[nH+]c3c2)cc1 ZINC000217528054 241255486 /nfs/dbraw/zinc/25/54/86/241255486.db2.gz AFGAWWAKRYAZLQ-UHFFFAOYSA-N 1 2 325.437 3.452 50 70 EGIALO CSc1ccc(CC(=O)NCc2ccc3[nH+]c(C)[nH]c3c2)cc1 ZINC000217528054 241255491 /nfs/dbraw/zinc/25/54/91/241255491.db2.gz AFGAWWAKRYAZLQ-UHFFFAOYSA-N 1 2 325.437 3.452 50 70 EGIALO Cc1c2cc(C)ccc2oc1C[N@H+]1CCn2nc([C@H](C)O)cc2C1 ZINC000217111391 241235494 /nfs/dbraw/zinc/23/54/94/241235494.db2.gz LHFUWLFMWCINRS-AWEZNQCLSA-N 1 2 325.412 3.315 50 70 EGIALO Cc1c2cc(C)ccc2oc1C[N@@H+]1CCn2nc([C@H](C)O)cc2C1 ZINC000217111391 241235498 /nfs/dbraw/zinc/23/54/98/241235498.db2.gz LHFUWLFMWCINRS-AWEZNQCLSA-N 1 2 325.412 3.315 50 70 EGIALO Cc1c2cc(C)ccc2oc1C[N@H+]1CCn2nc([C@@H](C)O)cc2C1 ZINC000217111369 241235700 /nfs/dbraw/zinc/23/57/00/241235700.db2.gz LHFUWLFMWCINRS-CQSZACIVSA-N 1 2 325.412 3.315 50 70 EGIALO Cc1c2cc(C)ccc2oc1C[N@@H+]1CCn2nc([C@@H](C)O)cc2C1 ZINC000217111369 241235705 /nfs/dbraw/zinc/23/57/05/241235705.db2.gz LHFUWLFMWCINRS-CQSZACIVSA-N 1 2 325.412 3.315 50 70 EGIALO c1ccc(CO[C@@H]2CCOC[C@H]2Nc2ccc3ccccc3[nH+]2)nc1 ZINC000218132112 241299957 /nfs/dbraw/zinc/29/99/57/241299957.db2.gz KYJLTPKQWXXTKQ-RTBURBONSA-N 1 2 335.407 3.416 50 70 EGIALO Cc1c[nH]c(Cc2nn3c(nnc3-c3cccc(Cl)c3F)s2)[nH+]1 ZINC000218383975 241317151 /nfs/dbraw/zinc/31/71/51/241317151.db2.gz KPFCFIFOJUWUHZ-UHFFFAOYSA-N 1 2 348.794 3.268 50 70 EGIALO CCCC[C@H](NC(=O)CC1=CSC2=[NH+]CCN12)c1cccnc1 ZINC000218043616 241294474 /nfs/dbraw/zinc/29/44/74/241294474.db2.gz YFOGJXOURYGCQX-HNNXBMFYSA-N 1 2 330.457 3.079 50 70 EGIALO Cc1ccn2cc(CNC(=O)c3cc(-c4ccsc4)n[nH]3)[nH+]c2c1 ZINC000217528859 241254612 /nfs/dbraw/zinc/25/46/12/241254612.db2.gz RCCKHVIRCHJZCB-UHFFFAOYSA-N 1 2 337.408 3.024 50 70 EGIALO Cc1[nH+]c2cc(CNC(=O)c3ccccc3N3CCCC3)ccc2n1C ZINC000217041174 241234250 /nfs/dbraw/zinc/23/42/50/241234250.db2.gz GXHXMZKRNHDONM-UHFFFAOYSA-N 1 2 348.450 3.412 50 70 EGIALO CC[C@@H](O)c1cc2n(n1)CC[N@H+](Cc1cccc3c(C)c(C)[nH]c31)C2 ZINC000217865706 241279678 /nfs/dbraw/zinc/27/96/78/241279678.db2.gz QMRONSSIRASKOV-LJQANCHMSA-N 1 2 338.455 3.440 50 70 EGIALO CC[C@@H](O)c1cc2n(n1)CC[N@@H+](Cc1cccc3c(C)c(C)[nH]c31)C2 ZINC000217865706 241279685 /nfs/dbraw/zinc/27/96/85/241279685.db2.gz QMRONSSIRASKOV-LJQANCHMSA-N 1 2 338.455 3.440 50 70 EGIALO O=C(NCCn1cc[nH+]c1-c1cccnc1)c1c(F)cccc1Cl ZINC000217866839 241282161 /nfs/dbraw/zinc/28/21/61/241282161.db2.gz MVWOLPRZJJVURB-UHFFFAOYSA-N 1 2 344.777 3.168 50 70 EGIALO O[C@H](c1cc2n(n1)CCC[N@H+](Cc1ccc(Cl)s1)C2)C1CC1 ZINC000218548146 241330351 /nfs/dbraw/zinc/33/03/51/241330351.db2.gz RPOFLMLGXUOVEN-INIZCTEOSA-N 1 2 337.876 3.447 50 70 EGIALO O[C@H](c1cc2n(n1)CCC[N@@H+](Cc1ccc(Cl)s1)C2)C1CC1 ZINC000218548146 241330355 /nfs/dbraw/zinc/33/03/55/241330355.db2.gz RPOFLMLGXUOVEN-INIZCTEOSA-N 1 2 337.876 3.447 50 70 EGIALO O[C@@H](c1cc2n(n1)CCC[N@H+](Cc1ccc(Cl)s1)C2)C1CC1 ZINC000218548086 241330288 /nfs/dbraw/zinc/33/02/88/241330288.db2.gz RPOFLMLGXUOVEN-MRXNPFEDSA-N 1 2 337.876 3.447 50 70 EGIALO O[C@@H](c1cc2n(n1)CCC[N@@H+](Cc1ccc(Cl)s1)C2)C1CC1 ZINC000218548086 241330291 /nfs/dbraw/zinc/33/02/91/241330291.db2.gz RPOFLMLGXUOVEN-MRXNPFEDSA-N 1 2 337.876 3.447 50 70 EGIALO Cc1[nH]c2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2[nH+]1 ZINC000218380030 241317688 /nfs/dbraw/zinc/31/76/88/241317688.db2.gz YQXIMSKEDZQHDP-UHFFFAOYSA-N 1 2 338.411 3.207 50 70 EGIALO CCSc1nc(CC(=O)NCc2cn3ccc(C)cc3[nH+]2)cs1 ZINC000217883286 241282197 /nfs/dbraw/zinc/28/21/97/241282197.db2.gz RAPSDAIMPHFKJY-UHFFFAOYSA-N 1 2 346.481 3.070 50 70 EGIALO CCn1nc(CNc2cc(C3CC(O)C3)[nH+]c(C)n2)c2ccccc21 ZINC000218560502 241330817 /nfs/dbraw/zinc/33/08/17/241330817.db2.gz BQKXJDUAHCVEFE-UHFFFAOYSA-N 1 2 337.427 3.005 50 70 EGIALO O=C(c1ccccc1OC(F)F)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000218106278 241297358 /nfs/dbraw/zinc/29/73/58/241297358.db2.gz WCCUFEVUUZYISS-ZDUSSCGKSA-N 1 2 335.354 3.037 50 70 EGIALO O=C(c1ccccc1OC(F)F)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000218106344 241297984 /nfs/dbraw/zinc/29/79/84/241297984.db2.gz WCCUFEVUUZYISS-CYBMUJFWSA-N 1 2 335.354 3.037 50 70 EGIALO CC[C@H](O)c1cc2n(n1)CC[N@H+](Cc1cccc3c(C)c(C)[nH]c31)C2 ZINC000217865782 241278506 /nfs/dbraw/zinc/27/85/06/241278506.db2.gz QMRONSSIRASKOV-IBGZPJMESA-N 1 2 338.455 3.440 50 70 EGIALO CC[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1cccc3c(C)c(C)[nH]c31)C2 ZINC000217865782 241278510 /nfs/dbraw/zinc/27/85/10/241278510.db2.gz QMRONSSIRASKOV-IBGZPJMESA-N 1 2 338.455 3.440 50 70 EGIALO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)CCCc1[nH+]ccn1C ZINC000218730058 241342269 /nfs/dbraw/zinc/34/22/69/241342269.db2.gz OEKUCNOKGALEQM-AWEZNQCLSA-N 1 2 349.862 3.240 50 70 EGIALO Cc1[nH+]c2cc(CNC(=O)c3cn(C)c4ccccc34)ccc2n1C ZINC000216989301 241229054 /nfs/dbraw/zinc/22/90/54/241229054.db2.gz VBJYCVGDPIHETL-UHFFFAOYSA-N 1 2 332.407 3.303 50 70 EGIALO Cc1c[nH]c(CN(C)C(=O)c2oc(COc3ccccc3)cc2C)[nH+]1 ZINC000217058275 241235972 /nfs/dbraw/zinc/23/59/72/241235972.db2.gz MJEQAAZADLVKFX-UHFFFAOYSA-N 1 2 339.395 3.471 50 70 EGIALO CC[C@H](C(=O)NCCn1cc[nH+]c1-c1cccnc1)c1ccccc1 ZINC000217867373 241280945 /nfs/dbraw/zinc/28/09/45/241280945.db2.gz CWOGULGGYPSOPG-SFHVURJKSA-N 1 2 334.423 3.255 50 70 EGIALO Cc1nc2ccc(CNC(=O)[C@@H](c3cccc(C)c3)[NH+](C)C)cc2[nH]1 ZINC000217666808 241268062 /nfs/dbraw/zinc/26/80/62/241268062.db2.gz VIUAGJZIVOMGTD-LJQANCHMSA-N 1 2 336.439 3.099 50 70 EGIALO CCCC[C@@H](NC(=O)CC1=CSC2=[NH+]CCN12)c1cccnc1 ZINC000218043530 534906931 /nfs/dbraw/zinc/90/69/31/534906931.db2.gz YFOGJXOURYGCQX-OAHLLOKOSA-N 1 2 330.457 3.079 50 70 EGIALO C[N@H+](CC(=O)NCc1ccc(-c2ccccc2)o1)Cc1ccncc1 ZINC000217784232 241274734 /nfs/dbraw/zinc/27/47/34/241274734.db2.gz LSLNIQHLASJJFK-UHFFFAOYSA-N 1 2 335.407 3.090 50 70 EGIALO C[N@@H+](CC(=O)NCc1ccc(-c2ccccc2)o1)Cc1ccncc1 ZINC000217784232 241274740 /nfs/dbraw/zinc/27/47/40/241274740.db2.gz LSLNIQHLASJJFK-UHFFFAOYSA-N 1 2 335.407 3.090 50 70 EGIALO CC[C@@H](C(=O)NCCn1cc[nH+]c1-c1cccnc1)c1ccccc1 ZINC000217867437 535416348 /nfs/dbraw/zinc/41/63/48/535416348.db2.gz CWOGULGGYPSOPG-GOSISDBHSA-N 1 2 334.423 3.255 50 70 EGIALO Cc1nc2ccc(CNC(=O)[C@H](c3cccc(C)c3)[NH+](C)C)cc2[nH]1 ZINC000217666902 241267795 /nfs/dbraw/zinc/26/77/95/241267795.db2.gz VIUAGJZIVOMGTD-IBGZPJMESA-N 1 2 336.439 3.099 50 70 EGIALO