smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2[nH+]c(-c3cccs3)c(NC(C)(C)CC(C)(C)C)n2c1 ZINC000000320705 563991075 /nfs/dbraw/zinc/99/10/75/563991075.db2.gz KSMCCCSOXAVKRD-UHFFFAOYSA-N 1 1 341.524 5.998 10 0 EKAEMO CC(C)CCn1c2ccccc2[nH+]c1Nc1cccc2ccccc21 ZINC000000513981 201481685 /nfs/dbraw/zinc/48/16/85/201481685.db2.gz DTGZAJVTOIUZKY-UHFFFAOYSA-N 1 1 329.447 5.979 10 0 EKAEMO C[N@H+]1[C@@H](c2ccccc2)CC(O)(c2ccccc2)C[C@H]1c1ccccc1 ZINC000003082424 564004164 /nfs/dbraw/zinc/00/41/64/564004164.db2.gz MQPSFALRBZMFQW-VSGJHWFKSA-N 1 1 343.470 5.082 10 0 EKAEMO CC1=CC[N@@H+](CCCC(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000003607141 210065312 /nfs/dbraw/zinc/06/53/12/210065312.db2.gz JVSSMGTTWKDJFY-OAQYLSRUSA-N 1 1 337.438 5.182 10 0 EKAEMO CC1=CC[N@@H+](CCCC(=O)c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000003607142 210064677 /nfs/dbraw/zinc/06/46/77/210064677.db2.gz JVSSMGTTWKDJFY-NRFANRHFSA-N 1 1 337.438 5.182 10 0 EKAEMO FC[C@@H]1CCC[N@H+](C2(c3cc4ccccc4s3)CCCCC2)C1 ZINC000003651127 210072268 /nfs/dbraw/zinc/07/22/68/210072268.db2.gz YFHOQGMMEMFUAQ-INIZCTEOSA-N 1 1 331.500 5.742 10 0 EKAEMO FC[C@H]1CCC[N@H+](C2(c3cc4ccccc4s3)CCCCC2)C1 ZINC000003651131 201360360 /nfs/dbraw/zinc/36/03/60/201360360.db2.gz YFHOQGMMEMFUAQ-MRXNPFEDSA-N 1 1 331.500 5.742 10 0 EKAEMO c1ccc(C2=CC[N@@H+](C[C@@H]3CCC=C(c4ccccc4)C3)CC2)cc1 ZINC000003792322 210075380 /nfs/dbraw/zinc/07/53/80/210075380.db2.gz XBGWTWPYCTZIIE-HXUWFJFHSA-N 1 1 329.487 5.659 10 0 investigational EKAEMO Clc1ccc(C2=[NH+][C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000003805043 201360626 /nfs/dbraw/zinc/36/06/26/201360626.db2.gz INIUCLZHMSKGKA-BGYRXZFFSA-N 1 1 332.834 5.172 10 0 EKAEMO COc1cccc2c1CCC[C@H]2C[N@@H+](C)CCc1ccc2ccoc2c1 ZINC000003810797 563487882 /nfs/dbraw/zinc/48/78/82/563487882.db2.gz MHPMXTGKTXJIDI-IBGZPJMESA-N 1 1 349.474 5.036 10 0 in-vivo EKAEMO C/C(=C\c1ccccc1)c1[nH+]c2ccc(C)cn2c1NC1CCCCC1 ZINC000004754245 210270114 /nfs/dbraw/zinc/27/01/14/210270114.db2.gz XHJVGTNCUSFOBL-OBGWFSINSA-N 1 1 345.490 5.948 10 0 EKAEMO CC(C)(C)[N@H+]1C[C@H](C(=O)c2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000005045976 210374295 /nfs/dbraw/zinc/37/42/95/210374295.db2.gz IERBTJHONLXTSA-VXKWHMMOSA-N 1 1 343.470 5.494 10 0 EKAEMO C/C=C(\C)C[N@H+]1CCOc2ccc(C3=Cc4ccccc4CC3)cc2C1 ZINC000012191492 211315906 /nfs/dbraw/zinc/31/59/06/211315906.db2.gz ROMAMMLUSQQWJJ-JFQJCAQQSA-N 1 1 345.486 5.334 10 0 EKAEMO CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCCC(F)(F)F ZINC000012297448 211334602 /nfs/dbraw/zinc/33/46/02/211334602.db2.gz FYXXBNDKEPFIER-KRWDZBQOSA-N 1 1 338.417 5.456 10 0 EKAEMO CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCC(F)(F)F ZINC000012297448 211334598 /nfs/dbraw/zinc/33/45/98/211334598.db2.gz FYXXBNDKEPFIER-KRWDZBQOSA-N 1 1 338.417 5.456 10 0 EKAEMO CCCCC[C@@H]1[C@@H](O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000013468120 563698858 /nfs/dbraw/zinc/69/88/58/563698858.db2.gz YIBLLNKVEAJJCJ-WZYRSQIMSA-N 1 1 337.507 5.362 10 0 EKAEMO CCCCC[C@H]1[C@@H](O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000013468122 563698891 /nfs/dbraw/zinc/69/88/91/563698891.db2.gz YIBLLNKVEAJJCJ-CWBXHPNXSA-N 1 1 337.507 5.362 10 0 EKAEMO CCCCC[C@H]1[C@H](O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000013468128 211562626 /nfs/dbraw/zinc/56/26/26/211562626.db2.gz YIBLLNKVEAJJCJ-MYDTUXCISA-N 1 1 337.507 5.362 10 0 EKAEMO c1ccc(C2=CC[N@@H+](C[C@H]3CCC=C(c4ccccc4)C3)CC2)cc1 ZINC000013738833 201366193 /nfs/dbraw/zinc/36/61/93/201366193.db2.gz XBGWTWPYCTZIIE-FQEVSTJZSA-N 1 1 329.487 5.659 10 0 EKAEMO C[C@@H]([NH2+]Cc1ccccc1F)c1cc2cc(Br)ccc2o1 ZINC000019950347 212089822 /nfs/dbraw/zinc/08/98/22/212089822.db2.gz KMSALKFUSWFFDV-LLVKDONJSA-N 1 1 348.215 5.185 10 0 EKAEMO C[C@H]([NH2+]Cc1ccccc1F)c1cc2cc(Br)ccc2o1 ZINC000019950352 212089908 /nfs/dbraw/zinc/08/99/08/212089908.db2.gz KMSALKFUSWFFDV-NSHDSACASA-N 1 1 348.215 5.185 10 0 EKAEMO CC(C)c1ccc2oc([C@@H]([NH3+])c3ccc(Br)cc3)cc2c1 ZINC000020389558 212124098 /nfs/dbraw/zinc/12/40/98/212124098.db2.gz FULVIJUJVOKSBB-SFHVURJKSA-N 1 1 344.252 5.367 10 0 EKAEMO CC(C)c1ccc2oc([C@H]([NH3+])c3ccc(Br)cc3)cc2c1 ZINC000020389562 202041014 /nfs/dbraw/zinc/04/10/14/202041014.db2.gz FULVIJUJVOKSBB-GOSISDBHSA-N 1 1 344.252 5.367 10 0 EKAEMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000020906597 212185820 /nfs/dbraw/zinc/18/58/20/212185820.db2.gz WKEISMYEINQZEG-QGZVFWFLSA-N 1 1 338.476 5.091 10 0 EKAEMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000020906599 212185730 /nfs/dbraw/zinc/18/57/30/212185730.db2.gz WKEISMYEINQZEG-KRWDZBQOSA-N 1 1 338.476 5.091 10 0 EKAEMO Clc1ccc(C[N@@H+]2CC=C(c3nc4ccccc4s3)CC2)cc1 ZINC000026289465 564177424 /nfs/dbraw/zinc/17/74/24/564177424.db2.gz ASYJQHKPLFUJFY-UHFFFAOYSA-N 1 1 340.879 5.239 10 0 EKAEMO Clc1ccc(C[N@H+]2CC=C(c3nc4ccccc4s3)CC2)cc1 ZINC000026289465 564177423 /nfs/dbraw/zinc/17/74/23/564177423.db2.gz ASYJQHKPLFUJFY-UHFFFAOYSA-N 1 1 340.879 5.239 10 0 EKAEMO Cc1cccc(-c2cc(NCC[C@H]3CCC[N@@H+]3C)c3ccccc3n2)c1 ZINC000028244513 201388102 /nfs/dbraw/zinc/38/81/02/201388102.db2.gz RJVJYYAGWOCPAG-LJQANCHMSA-N 1 1 345.490 5.106 10 0 EKAEMO Cc1cccc(-c2cc(NCC[C@H]3CCC[N@H+]3C)c3ccccc3n2)c1 ZINC000028244513 201388099 /nfs/dbraw/zinc/38/80/99/201388099.db2.gz RJVJYYAGWOCPAG-LJQANCHMSA-N 1 1 345.490 5.106 10 0 EKAEMO Cc1cccc(-c2cc(NCC[C@@H]3CCC[N@@H+]3C)c3ccccc3n2)c1 ZINC000028244520 201388465 /nfs/dbraw/zinc/38/84/65/201388465.db2.gz RJVJYYAGWOCPAG-IBGZPJMESA-N 1 1 345.490 5.106 10 0 EKAEMO Cc1cccc(-c2cc(NCC[C@@H]3CCC[N@H+]3C)c3ccccc3n2)c1 ZINC000028244520 201388463 /nfs/dbraw/zinc/38/84/63/201388463.db2.gz RJVJYYAGWOCPAG-IBGZPJMESA-N 1 1 345.490 5.106 10 0 EKAEMO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000035501657 213032214 /nfs/dbraw/zinc/03/22/14/213032214.db2.gz AYXOXHYZSHOXAV-AWEZNQCLSA-N 1 1 335.061 5.609 10 0 EKAEMO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000035501658 213032437 /nfs/dbraw/zinc/03/24/37/213032437.db2.gz AYXOXHYZSHOXAV-CQSZACIVSA-N 1 1 335.061 5.609 10 0 EKAEMO C[NH2+][C@H](c1cc(Cl)ccc1Cl)c1ccccc1Br ZINC000035501989 213034027 /nfs/dbraw/zinc/03/40/27/213034027.db2.gz NHVGYVBZIGQESY-AWEZNQCLSA-N 1 1 345.067 5.065 10 0 EKAEMO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)c1ccccc1Br ZINC000035501990 213034425 /nfs/dbraw/zinc/03/44/25/213034425.db2.gz NHVGYVBZIGQESY-CQSZACIVSA-N 1 1 345.067 5.065 10 0 EKAEMO C[NH2+]C(c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000035502033 213034328 /nfs/dbraw/zinc/03/43/28/213034328.db2.gz OASJNGPNPOIIKJ-UHFFFAOYSA-N 1 1 335.061 5.609 10 0 EKAEMO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035502227 213034273 /nfs/dbraw/zinc/03/42/73/213034273.db2.gz PPLOUADEXQXCKT-NSHDSACASA-N 1 1 341.090 5.671 10 0 EKAEMO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035502228 213034000 /nfs/dbraw/zinc/03/40/00/213034000.db2.gz PPLOUADEXQXCKT-LLVKDONJSA-N 1 1 341.090 5.671 10 0 EKAEMO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000035502323 213033954 /nfs/dbraw/zinc/03/39/54/213033954.db2.gz SISPYKSNJROICP-NSHDSACASA-N 1 1 341.090 5.671 10 0 EKAEMO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000035502325 213033407 /nfs/dbraw/zinc/03/34/07/213033407.db2.gz SISPYKSNJROICP-LLVKDONJSA-N 1 1 341.090 5.671 10 0 EKAEMO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1cccc(Cl)c1Cl ZINC000035502400 213034202 /nfs/dbraw/zinc/03/42/02/213034202.db2.gz ILPFWUWIUZGKEM-NSHDSACASA-N 1 1 341.090 5.671 10 0 EKAEMO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1cccc(Cl)c1Cl ZINC000035502403 202305152 /nfs/dbraw/zinc/30/51/52/202305152.db2.gz ILPFWUWIUZGKEM-LLVKDONJSA-N 1 1 341.090 5.671 10 0 EKAEMO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1cc(Cl)ccc1Cl ZINC000035502445 213033728 /nfs/dbraw/zinc/03/37/28/213033728.db2.gz OYAMAQNEESYXJB-NSHDSACASA-N 1 1 341.090 5.671 10 0 EKAEMO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1cc(Cl)ccc1Cl ZINC000035502448 202304873 /nfs/dbraw/zinc/30/48/73/202304873.db2.gz OYAMAQNEESYXJB-LLVKDONJSA-N 1 1 341.090 5.671 10 0 EKAEMO CC[NH2+][C@@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000035558671 213037851 /nfs/dbraw/zinc/03/78/51/213037851.db2.gz UFKISKLRJSAXMN-CYBMUJFWSA-N 1 1 349.055 5.048 10 0 EKAEMO CC[NH2+][C@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000035558674 213037384 /nfs/dbraw/zinc/03/73/84/213037384.db2.gz UFKISKLRJSAXMN-ZDUSSCGKSA-N 1 1 349.055 5.048 10 0 EKAEMO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1Cl ZINC000035559617 213037765 /nfs/dbraw/zinc/03/77/65/213037765.db2.gz DUJQTLBMTURIBB-GFCCVEGCSA-N 1 1 338.662 5.546 10 0 EKAEMO CCC[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccccc1Cl ZINC000035585338 213039817 /nfs/dbraw/zinc/03/98/17/213039817.db2.gz DIQBMUITFLYYAU-ZDUSSCGKSA-N 1 1 334.699 5.797 10 0 EKAEMO CCC[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccccc1Cl ZINC000035585339 213040141 /nfs/dbraw/zinc/04/01/41/213040141.db2.gz DIQBMUITFLYYAU-CYBMUJFWSA-N 1 1 334.699 5.797 10 0 EKAEMO CCCn1c(C)c(C)c2cc[nH+]c(NCc3ccc(F)cc3C)c21 ZINC000035965241 202310615 /nfs/dbraw/zinc/31/06/15/202310615.db2.gz OCTNQULRSXTQRR-UHFFFAOYSA-N 1 1 325.431 5.123 10 0 EKAEMO CCC(O)(CC)c1ccc(C[N@H+](Cc2ccccc2F)CC(C)C)o1 ZINC000036167887 213074544 /nfs/dbraw/zinc/07/45/44/213074544.db2.gz CQMVRAZXAUPWNI-UHFFFAOYSA-N 1 1 347.474 5.085 10 0 EKAEMO C[C@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccc(F)c(F)c1 ZINC000036945445 213127166 /nfs/dbraw/zinc/12/71/66/213127166.db2.gz ULAFGYDRULVEJM-QWRGUYRKSA-N 1 1 340.211 5.139 10 0 EKAEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)c1ccc(F)c(F)c1 ZINC000036945446 213127131 /nfs/dbraw/zinc/12/71/31/213127131.db2.gz ULAFGYDRULVEJM-MNOVXSKESA-N 1 1 340.211 5.139 10 0 EKAEMO C[C@@H]([NH2+][C@H](C)c1ccccc1Br)c1ccc(F)c(F)c1 ZINC000036945448 213127361 /nfs/dbraw/zinc/12/73/61/213127361.db2.gz ULAFGYDRULVEJM-GHMZBOCLSA-N 1 1 340.211 5.139 10 0 EKAEMO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1sccc1Br ZINC000037764507 213165706 /nfs/dbraw/zinc/16/57/06/213165706.db2.gz ZGLOSRUICLPHCS-UWVGGRQHSA-N 1 1 328.250 5.062 10 0 EKAEMO C[C@@H]([NH2+][C@@H](C)c1sccc1Br)c1ccccc1F ZINC000037764508 213165250 /nfs/dbraw/zinc/16/52/50/213165250.db2.gz ZGLOSRUICLPHCS-ZJUUUORDSA-N 1 1 328.250 5.062 10 0 EKAEMO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1sccc1Br ZINC000037764509 202361729 /nfs/dbraw/zinc/36/17/29/202361729.db2.gz ZGLOSRUICLPHCS-VHSXEESVSA-N 1 1 328.250 5.062 10 0 EKAEMO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1sccc1Br ZINC000037764510 213166006 /nfs/dbraw/zinc/16/60/06/213166006.db2.gz ZGLOSRUICLPHCS-NXEZZACHSA-N 1 1 328.250 5.062 10 0 EKAEMO C[C@H]([NH2+]Cc1ccc(F)cc1Br)c1cccc(Cl)c1 ZINC000037980636 213181137 /nfs/dbraw/zinc/18/11/37/213181137.db2.gz YIDGBNYKMUTKFI-JTQLQIEISA-N 1 1 342.639 5.092 10 0 EKAEMO C[C@@H]([NH2+]Cc1ccc(F)cc1Br)c1cccc(Cl)c1 ZINC000037980637 213180768 /nfs/dbraw/zinc/18/07/68/213180768.db2.gz YIDGBNYKMUTKFI-SNVBAGLBSA-N 1 1 342.639 5.092 10 0 EKAEMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccccc1Cl ZINC000038038903 202092862 /nfs/dbraw/zinc/09/28/62/202092862.db2.gz QSAHTACFNQQDPB-JTQLQIEISA-N 1 1 342.639 5.092 10 0 EKAEMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccccc1Cl ZINC000038038904 213195445 /nfs/dbraw/zinc/19/54/45/213195445.db2.gz QSAHTACFNQQDPB-SNVBAGLBSA-N 1 1 342.639 5.092 10 0 EKAEMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000038038924 202092826 /nfs/dbraw/zinc/09/28/26/202092826.db2.gz AVCFMRPGZSBAIG-JTQLQIEISA-N 1 1 342.639 5.092 10 0 EKAEMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000038038925 213195131 /nfs/dbraw/zinc/19/51/31/213195131.db2.gz AVCFMRPGZSBAIG-SNVBAGLBSA-N 1 1 342.639 5.092 10 0 EKAEMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1cccc(Cl)c1 ZINC000038038945 213195930 /nfs/dbraw/zinc/19/59/30/213195930.db2.gz XFBFPCXOJZFNJD-JTQLQIEISA-N 1 1 342.639 5.092 10 0 EKAEMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1cccc(Cl)c1 ZINC000038038946 213196074 /nfs/dbraw/zinc/19/60/74/213196074.db2.gz XFBFPCXOJZFNJD-SNVBAGLBSA-N 1 1 342.639 5.092 10 0 EKAEMO C[C@H]([NH2+]Cc1cc(F)ccc1Br)c1cc2ccccc2o1 ZINC000038039019 213195541 /nfs/dbraw/zinc/19/55/41/213195541.db2.gz VUEGFCMAZKGHNC-NSHDSACASA-N 1 1 348.215 5.185 10 0 EKAEMO C[C@@H]([NH2+]Cc1cc(F)ccc1Br)c1cc2ccccc2o1 ZINC000038039020 213195153 /nfs/dbraw/zinc/19/51/53/213195153.db2.gz VUEGFCMAZKGHNC-LLVKDONJSA-N 1 1 348.215 5.185 10 0 EKAEMO COc1ccccc1Nc1cc(C)[nH+]c2cc(C(F)(F)F)ccc12 ZINC000040570832 213352695 /nfs/dbraw/zinc/35/26/95/213352695.db2.gz HRGDTPWFNWUTJF-UHFFFAOYSA-N 1 1 332.325 5.314 10 0 EKAEMO Cc1cc(Nc2ccccc2Cl)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570860 213352772 /nfs/dbraw/zinc/35/27/72/213352772.db2.gz NZLGOOMORSXUAU-UHFFFAOYSA-N 1 1 336.744 5.959 10 0 EKAEMO Cc1cc(N2CCc3ccccc32)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570861 213352410 /nfs/dbraw/zinc/35/24/10/213352410.db2.gz UNRIKTMWPYHQJF-UHFFFAOYSA-N 1 1 328.337 5.256 10 0 EKAEMO Cc1cc(Nc2ccc(F)cc2F)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570871 213352844 /nfs/dbraw/zinc/35/28/44/213352844.db2.gz DRLOJNLWROIZPC-UHFFFAOYSA-N 1 1 338.279 5.584 10 0 EKAEMO CCN(c1ccccc1)c1cc(C)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040570880 213352426 /nfs/dbraw/zinc/35/24/26/213352426.db2.gz LSOYMTBZERALOU-UHFFFAOYSA-N 1 1 330.353 5.720 10 0 EKAEMO Cc1cc(N2CCCc3ccccc32)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570895 132403082 /nfs/dbraw/zinc/40/30/82/132403082.db2.gz GARIMHSLZXERFG-UHFFFAOYSA-N 1 1 342.364 5.646 10 0 EKAEMO Cc1cc(C)cc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000040570898 213352246 /nfs/dbraw/zinc/35/22/46/213352246.db2.gz APJCNEUQTUPZBN-UHFFFAOYSA-N 1 1 330.353 5.922 10 0 EKAEMO CCOc1ccc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000040570900 213352443 /nfs/dbraw/zinc/35/24/43/213352443.db2.gz GJYNZIMUZSXPKC-UHFFFAOYSA-N 1 1 346.352 5.704 10 0 EKAEMO COc1cccc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000040570902 213352225 /nfs/dbraw/zinc/35/22/25/213352225.db2.gz UGQUNWNNBZDRCP-UHFFFAOYSA-N 1 1 332.325 5.314 10 0 EKAEMO CCOc1ccccc1Nc1cc(C)[nH+]c2cc(C(F)(F)F)ccc12 ZINC000040570905 213352812 /nfs/dbraw/zinc/35/28/12/213352812.db2.gz WCWVJWCPSBAYPA-UHFFFAOYSA-N 1 1 346.352 5.704 10 0 EKAEMO Cc1cc(Nc2ccc(C(C)C)cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570912 213352818 /nfs/dbraw/zinc/35/28/18/213352818.db2.gz WAFDDSJPJUZNFI-UHFFFAOYSA-N 1 1 344.380 6.429 10 0 EKAEMO CC(=O)c1ccccc1Nc1cc[nH+]c2ccc(C(F)(F)F)cc12 ZINC000041054714 202470108 /nfs/dbraw/zinc/47/01/08/202470108.db2.gz VNJULRAXPFYWFM-UHFFFAOYSA-N 1 1 330.309 5.200 10 0 EKAEMO Cc1cc(C)c2[nH+]c(N[C@@H](C)c3cccc4ccccc43)cc(C)c2c1 ZINC000041127849 213420590 /nfs/dbraw/zinc/42/05/90/213420590.db2.gz SKFQPYWTNJZKNG-SFHVURJKSA-N 1 1 340.470 6.486 10 0 EKAEMO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000053149806 214166724 /nfs/dbraw/zinc/16/67/24/214166724.db2.gz GVGFBGWNTRUGKA-JTQLQIEISA-N 1 1 342.639 5.092 10 0 EKAEMO CC(C)=CCCC(C)=C=CC(C)(C)[C@H]1OCC[N@H+]1C1CCCCC1 ZINC000058960947 563947543 /nfs/dbraw/zinc/94/75/43/563947543.db2.gz ITPHLNQTKRLSDZ-OKKPIIHCSA-N 1 1 331.544 5.851 10 0 EKAEMO CC(C)=CCCC(C)=C=CC(C)(C)[C@H]1OCC[N@@H+]1C1CCCCC1 ZINC000058960947 563947541 /nfs/dbraw/zinc/94/75/41/563947541.db2.gz ITPHLNQTKRLSDZ-OKKPIIHCSA-N 1 1 331.544 5.851 10 0 EKAEMO CC(C)=CCCC(C)=C=CC(C)(C)[C@@H]1OCC[N@H+]1C1CCCCC1 ZINC000058960950 563947456 /nfs/dbraw/zinc/94/74/56/563947456.db2.gz ITPHLNQTKRLSDZ-YNNZGITBSA-N 1 1 331.544 5.851 10 0 EKAEMO CC(C)=CCCC(C)=C=CC(C)(C)[C@@H]1OCC[N@@H+]1C1CCCCC1 ZINC000058960950 563947454 /nfs/dbraw/zinc/94/74/54/563947454.db2.gz ITPHLNQTKRLSDZ-YNNZGITBSA-N 1 1 331.544 5.851 10 0 EKAEMO Cc1nc([C@H](C)[NH2+]Cc2c(C)n(CC(C)C)c3ccccc23)cs1 ZINC000067513953 563962336 /nfs/dbraw/zinc/96/23/36/563962336.db2.gz ANMACBWYXMHNBN-AWEZNQCLSA-N 1 1 341.524 5.221 10 0 EKAEMO Cc1nc([C@@H](C)[NH2+]Cc2c(C)n(CC(C)C)c3ccccc23)cs1 ZINC000067513955 215156020 /nfs/dbraw/zinc/15/60/20/215156020.db2.gz ANMACBWYXMHNBN-CQSZACIVSA-N 1 1 341.524 5.221 10 0 EKAEMO CCOC(=O)c1ccc(Nc2cc[nH+]c3c2cccc3C(C)C)cc1 ZINC000072236871 203184691 /nfs/dbraw/zinc/18/46/91/203184691.db2.gz GKKHJQFELFKYRU-UHFFFAOYSA-N 1 1 334.419 5.279 10 0 EKAEMO CCOC(=O)c1cccc(Nc2cc[nH+]c3c2cccc3C(C)C)c1 ZINC000072236874 216076072 /nfs/dbraw/zinc/07/60/72/216076072.db2.gz ACZRGXVNLSMPMG-UHFFFAOYSA-N 1 1 334.419 5.279 10 0 EKAEMO Clc1ccccc1C[N@@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000095539610 564117123 /nfs/dbraw/zinc/11/71/23/564117123.db2.gz JWSNGTPFUMQTQE-UHFFFAOYSA-N 1 1 340.879 5.239 10 0 EKAEMO Clc1ccccc1C[N@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000095539610 564117122 /nfs/dbraw/zinc/11/71/22/564117122.db2.gz JWSNGTPFUMQTQE-UHFFFAOYSA-N 1 1 340.879 5.239 10 0 EKAEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1Br ZINC000103979127 204092078 /nfs/dbraw/zinc/09/20/78/204092078.db2.gz LIOPWDDQMDMFSF-LBPRGKRZSA-N 1 1 338.676 5.296 10 0 EKAEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1Br ZINC000103979127 204092074 /nfs/dbraw/zinc/09/20/74/204092074.db2.gz LIOPWDDQMDMFSF-LBPRGKRZSA-N 1 1 338.676 5.296 10 0 EKAEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1Br ZINC000103979130 219335065 /nfs/dbraw/zinc/33/50/65/219335065.db2.gz LIOPWDDQMDMFSF-GFCCVEGCSA-N 1 1 338.676 5.296 10 0 EKAEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccccc1Br ZINC000103979130 219335063 /nfs/dbraw/zinc/33/50/63/219335063.db2.gz LIOPWDDQMDMFSF-GFCCVEGCSA-N 1 1 338.676 5.296 10 0 EKAEMO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(Br)cs1 ZINC000103979137 219334844 /nfs/dbraw/zinc/33/48/44/219334844.db2.gz VIIAZPLVGRYPDV-JTQLQIEISA-N 1 1 344.705 5.357 10 0 EKAEMO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(Br)cs1 ZINC000103979137 219334842 /nfs/dbraw/zinc/33/48/42/219334842.db2.gz VIIAZPLVGRYPDV-JTQLQIEISA-N 1 1 344.705 5.357 10 0 EKAEMO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(Br)cs1 ZINC000103979141 219335190 /nfs/dbraw/zinc/33/51/90/219335190.db2.gz VIIAZPLVGRYPDV-SNVBAGLBSA-N 1 1 344.705 5.357 10 0 EKAEMO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(Br)cs1 ZINC000103979141 219335187 /nfs/dbraw/zinc/33/51/87/219335187.db2.gz VIIAZPLVGRYPDV-SNVBAGLBSA-N 1 1 344.705 5.357 10 0 EKAEMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000103979150 219335091 /nfs/dbraw/zinc/33/50/91/219335091.db2.gz UOWVHHSBYBMEDL-JTQLQIEISA-N 1 1 344.705 5.357 10 0 EKAEMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000103979156 204091740 /nfs/dbraw/zinc/09/17/40/204091740.db2.gz UOWVHHSBYBMEDL-SNVBAGLBSA-N 1 1 344.705 5.357 10 0 EKAEMO Cc1ccc(C[N@@H+]2CC=C(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000138164251 564176259 /nfs/dbraw/zinc/17/62/59/564176259.db2.gz PHKJRAAXUGLWNF-UHFFFAOYSA-N 1 1 338.838 5.079 10 0 EKAEMO CC(C)c1ccc2oc(C3=CC[N@@H+](Cc4ccccc4)CC3)nc2c1 ZINC000226250382 201037316 /nfs/dbraw/zinc/03/73/16/201037316.db2.gz VQSYXUOIASBCKI-UHFFFAOYSA-N 1 1 332.447 5.241 10 0 EKAEMO CCCC[N@@H+]1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250961 564117183 /nfs/dbraw/zinc/11/71/83/564117183.db2.gz BEZWJOBMWFBAOK-UHFFFAOYSA-N 1 1 332.447 5.384 10 0 EKAEMO CCCC[N@@H+]1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250994 201037622 /nfs/dbraw/zinc/03/76/22/201037622.db2.gz ZOSRFAFAZLEJPA-UHFFFAOYSA-N 1 1 325.239 5.024 10 0 EKAEMO Cc1ccc(C[N@@H+]2CC=C(c3nc4cc(C)cc(C)c4o3)CC2)cc1 ZINC000226251203 564117223 /nfs/dbraw/zinc/11/72/23/564117223.db2.gz SDPZPAAFMSJCKP-UHFFFAOYSA-N 1 1 332.447 5.042 10 0 EKAEMO Cc1ccc(C[N@@H+]2CC=C(c3nc4cc(C)c(C)cc4o3)CC2)cc1 ZINC000226251217 564117204 /nfs/dbraw/zinc/11/72/04/564117204.db2.gz LPWSVRRNSXRXNV-UHFFFAOYSA-N 1 1 332.447 5.042 10 0 EKAEMO Cc1ccc(C[N@@H+]2CC=C(c3nc4cc(C(C)C)ccc4o3)CC2)cc1 ZINC000226251230 564117179 /nfs/dbraw/zinc/11/71/79/564117179.db2.gz BRVMIQNVOOULMO-UHFFFAOYSA-N 1 1 346.474 5.549 10 0 EKAEMO Cc1ccc2oc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000226251269 564117249 /nfs/dbraw/zinc/11/72/49/564117249.db2.gz AAGBPFZHRKSKMW-UHFFFAOYSA-N 1 1 338.838 5.079 10 0 EKAEMO Cc1ccc2oc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000226251269 564117248 /nfs/dbraw/zinc/11/72/48/564117248.db2.gz AAGBPFZHRKSKMW-UHFFFAOYSA-N 1 1 338.838 5.079 10 0 EKAEMO Cc1ccccc1/C=C\C[N@H+]1CC[C@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000352063288 258003729 /nfs/dbraw/zinc/00/37/29/258003729.db2.gz FJFLDQXXCJUUBR-XGCPISRHSA-N 1 1 335.491 5.014 10 0 EKAEMO Cc1ccccc1/C=C\C[N@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1 ZINC000352063289 258003591 /nfs/dbraw/zinc/00/35/91/258003591.db2.gz FJFLDQXXCJUUBR-XTVHYICTSA-N 1 1 335.491 5.014 10 0 EKAEMO