smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc(C)cc(Nc3ccc(C)cc3)c2c1 ZINC000000258518 567929630 /nfs/dbraw/zinc/92/96/30/567929630.db2.gz FSTXEKVUDUSWDV-UHFFFAOYSA-N 0 3 278.355 4.604 40 0 CJABHN CCOc1ccccc1Nc1cc(C)nc2ccc(C)cc21 ZINC000000303333 567929422 /nfs/dbraw/zinc/92/94/22/567929422.db2.gz YLWBPSUKNHGEMU-UHFFFAOYSA-N 0 3 292.382 4.994 40 0 CJABHN CC(=O)c1ccc(Nc2cc(C)nc3ccc(C)cc32)cc1 ZINC000000303339 567929650 /nfs/dbraw/zinc/92/96/50/567929650.db2.gz RYSOBSPYPVTLDS-UHFFFAOYSA-N 0 3 290.366 4.798 40 0 CJABHN COc1ccc2nc(C)cc(Nc3ccccc3C)c2c1 ZINC000000303349 567929583 /nfs/dbraw/zinc/92/95/83/567929583.db2.gz ADKCJEMQOZYKNC-UHFFFAOYSA-N 0 3 278.355 4.604 40 0 CJABHN COc1ccc2nc(C)cc(Nc3cccc(C)c3)c2c1 ZINC000000303352 567929461 /nfs/dbraw/zinc/92/94/61/567929461.db2.gz RLZWJGWQCDYWBT-UHFFFAOYSA-N 0 3 278.355 4.604 40 0 CJABHN c1ccc(C(CCNc2ccncc2)c2ccccc2)cc1 ZINC000001482110 567837761 /nfs/dbraw/zinc/83/77/61/567837761.db2.gz KMZHYAUKFHLFNY-UHFFFAOYSA-N 0 3 288.394 4.716 40 0 in-man CJABHN CN(C)C1c2cc(Cl)ccc2-c2ccc(Cl)cc21 ZINC000001662429 567840476 /nfs/dbraw/zinc/84/04/76/567840476.db2.gz AMNXHYWLCHZPRS-UHFFFAOYSA-N 0 3 278.182 4.625 40 0 CJABHN Cc1cc(C)c(CN(C)C)c(/C=C/c2ccccc2)c1 ZINC000001713606 567842475 /nfs/dbraw/zinc/84/24/75/567842475.db2.gz KJMRVNMWODCMKF-ZHACJKMWSA-N 0 3 265.400 4.535 40 0 CJABHN N[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000001723745 567842401 /nfs/dbraw/zinc/84/24/01/567842401.db2.gz XTVNNYMBOYVBEJ-CYBMUJFWSA-N 0 3 284.573 4.675 40 0 CJABHN Cc1cc(C(C)(C)C)c(OCCN(C)C)c(C(C)(C)C)c1 ZINC000001734056 567842820 /nfs/dbraw/zinc/84/28/20/567842820.db2.gz BWTPMTPJPTUGNA-UHFFFAOYSA-N 0 3 291.479 4.530 40 0 CJABHN CC(C)c1cc(Cl)cc(C(C)C)c1OCCN(C)C ZINC000001734059 567842807 /nfs/dbraw/zinc/84/28/07/567842807.db2.gz JNWDXZSBUIBAAY-UHFFFAOYSA-N 0 3 283.843 4.527 40 0 CJABHN N=C(c1ccccc1)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000004715012 170004191 /nfs/dbraw/zinc/00/41/91/170004191.db2.gz BLVAGJHFIBKMAK-LJQANCHMSA-N 0 3 299.373 4.721 40 0 CJABHN Cc1cc(C)c(CN(C)C)c(/C=C\c2ccccc2)c1 ZINC000004887734 170036596 /nfs/dbraw/zinc/03/65/96/170036596.db2.gz KJMRVNMWODCMKF-KHPPLWFESA-N 0 3 265.400 4.535 40 0 CJABHN Cc1cc(C)c2cc(CNC3CCCC3)c(Cl)nc2c1 ZINC000004967373 170046561 /nfs/dbraw/zinc/04/65/61/170046561.db2.gz ZSMLIVXJWXSKSA-UHFFFAOYSA-N 0 3 288.822 4.537 40 0 CJABHN Cc1ccc(C2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000004986662 170049596 /nfs/dbraw/zinc/04/95/96/170049596.db2.gz MJVZZKKXVUVDLQ-RTWAWAEBSA-N 0 3 289.422 4.815 40 0 CJABHN Cc1ccc(C2=C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 ZINC000004986665 170049339 /nfs/dbraw/zinc/04/93/39/170049339.db2.gz MJVZZKKXVUVDLQ-LEWJYISDSA-N 0 3 289.422 4.815 40 0 CJABHN CN1CC=C(/C=C/c2ccc(-c3ccccc3)cc2)CC1 ZINC000005002426 170053398 /nfs/dbraw/zinc/05/33/98/170053398.db2.gz RSOOKSOFVZDIGS-BQYQJAHWSA-N 0 3 275.395 4.629 40 0 CJABHN Cc1scc(CN(Cc2ccccc2)C(C)C)c1C ZINC000006895125 170253981 /nfs/dbraw/zinc/25/39/81/170253981.db2.gz HHJAEMMOOFNMFJ-UHFFFAOYSA-N 0 3 273.445 4.776 40 0 CJABHN Cc1ccc2cc(CNC3CCCCC3)c(Cl)nc2c1 ZINC000013534782 570236488 /nfs/dbraw/zinc/23/64/88/570236488.db2.gz IXVMUUIOEOMOTB-UHFFFAOYSA-N 0 3 288.822 4.619 40 0 CJABHN Cc1cc2cc(CNC3CCCC3)c(Cl)nc2cc1C ZINC000013534817 567941649 /nfs/dbraw/zinc/94/16/49/567941649.db2.gz NEBUHFSLINRBHL-UHFFFAOYSA-N 0 3 288.822 4.537 40 0 CJABHN CCCCN(CCCC)C(=N)OCC(C)(C)CC(C)C ZINC000016990149 570225978 /nfs/dbraw/zinc/22/59/78/570225978.db2.gz NVLMMCPTWFAVKR-UHFFFAOYSA-N 0 3 284.488 4.912 40 0 CJABHN N=C(Nc1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000017316200 567935009 /nfs/dbraw/zinc/93/50/09/567935009.db2.gz RYCFRVNAZOREPC-UHFFFAOYSA-N 0 3 287.366 4.872 40 0 CJABHN CCCCN(CN(CCCC)[C@H]1C=CCC1)[C@H]1C=CCC1 ZINC000019319730 567877450 /nfs/dbraw/zinc/87/74/50/567877450.db2.gz NOFLOHBDWXQTRB-OALUTQOASA-N 0 3 290.495 4.585 40 0 CJABHN c1ccc(Nc2c3ccccc3nc3c2CCCC3)cc1 ZINC000020136165 171023591 /nfs/dbraw/zinc/02/35/91/171023591.db2.gz TXHHGLULBHVWMO-UHFFFAOYSA-N 0 3 274.367 4.857 40 0 CJABHN CCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000020158527 171039954 /nfs/dbraw/zinc/03/99/54/171039954.db2.gz UNGLFLDYENNVCE-UHFFFAOYSA-N 0 3 284.186 4.753 40 0 CJABHN CCCNCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020158557 171040188 /nfs/dbraw/zinc/04/01/88/171040188.db2.gz RFAYBKLPCCMGRS-UHFFFAOYSA-N 0 3 284.186 4.753 40 0 CJABHN Cc1ccc(Cl)cc1-c1ccc(CNC(C)(C)C)o1 ZINC000020158647 171040111 /nfs/dbraw/zinc/04/01/11/171040111.db2.gz KBMCHBIBVPKBQX-UHFFFAOYSA-N 0 3 277.795 4.797 40 0 CJABHN CCC1=N[C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000030731351 570409198 /nfs/dbraw/zinc/40/91/98/570409198.db2.gz UPZKJIHNKKJIKX-HNNXBMFYSA-N 0 3 263.384 4.616 40 0 world CJABHN CCC1=N[C@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000030731355 570409203 /nfs/dbraw/zinc/40/92/03/570409203.db2.gz UPZKJIHNKKJIKX-OAHLLOKOSA-N 0 3 263.384 4.616 40 0 world CJABHN N[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000072162127 176330014 /nfs/dbraw/zinc/33/00/14/176330014.db2.gz XTVNNYMBOYVBEJ-ZDUSSCGKSA-N 0 3 284.573 4.675 40 0 CJABHN CC(C)CN1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212142 567918144 /nfs/dbraw/zinc/91/81/44/567918144.db2.gz GFVWBBDDXUIFKN-GOSISDBHSA-N 0 3 296.414 4.667 40 0 CJABHN CC(C)CN1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212143 567918237 /nfs/dbraw/zinc/91/82/37/567918237.db2.gz GFVWBBDDXUIFKN-SFHVURJKSA-N 0 3 296.414 4.667 40 0 CJABHN CCCCN1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212144 567918068 /nfs/dbraw/zinc/91/80/68/567918068.db2.gz RHQBXCGLVZYUNU-GOSISDBHSA-N 0 3 296.414 4.811 40 0 CJABHN CCCCN1CCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212145 567918547 /nfs/dbraw/zinc/91/85/47/567918547.db2.gz RHQBXCGLVZYUNU-SFHVURJKSA-N 0 3 296.414 4.811 40 0 CJABHN CCCN1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212157 567918232 /nfs/dbraw/zinc/91/82/32/567918232.db2.gz UFZJGQYPFBPZCR-GOSISDBHSA-N 0 3 296.414 4.811 40 0 CJABHN CCCN1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212158 567918639 /nfs/dbraw/zinc/91/86/39/567918639.db2.gz UFZJGQYPFBPZCR-SFHVURJKSA-N 0 3 296.414 4.811 40 0 CJABHN CC(C)N1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212159 567918437 /nfs/dbraw/zinc/91/84/37/567918437.db2.gz LHZCJSFFHMFFPL-GOSISDBHSA-N 0 3 296.414 4.809 40 0 CJABHN CC(C)N1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212160 567918141 /nfs/dbraw/zinc/91/81/41/567918141.db2.gz LHZCJSFFHMFFPL-SFHVURJKSA-N 0 3 296.414 4.809 40 0 CJABHN CC(C)CN1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212202 567918647 /nfs/dbraw/zinc/91/86/47/567918647.db2.gz GMHLNBJSJRFYKJ-GOSISDBHSA-N 0 3 296.414 4.667 40 0 CJABHN CC(C)CN1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212203 567918593 /nfs/dbraw/zinc/91/85/93/567918593.db2.gz GMHLNBJSJRFYKJ-SFHVURJKSA-N 0 3 296.414 4.667 40 0 CJABHN CCCCN1CCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212204 567918081 /nfs/dbraw/zinc/91/80/81/567918081.db2.gz IMBSPSALPZPSSJ-GOSISDBHSA-N 0 3 296.414 4.811 40 0 CJABHN CCCCN1CCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212205 567918601 /nfs/dbraw/zinc/91/86/01/567918601.db2.gz IMBSPSALPZPSSJ-SFHVURJKSA-N 0 3 296.414 4.811 40 0 CJABHN CCCN1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212217 567918464 /nfs/dbraw/zinc/91/84/64/567918464.db2.gz JDIVFVBSQDAEMR-GOSISDBHSA-N 0 3 296.414 4.811 40 0 CJABHN CCCN1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212218 567918307 /nfs/dbraw/zinc/91/83/07/567918307.db2.gz JDIVFVBSQDAEMR-SFHVURJKSA-N 0 3 296.414 4.811 40 0 CJABHN CC(C)N1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212219 567918320 /nfs/dbraw/zinc/91/83/20/567918320.db2.gz CWQLVVVUIIBJAZ-GOSISDBHSA-N 0 3 296.414 4.809 40 0 CJABHN CC(C)N1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212220 567918010 /nfs/dbraw/zinc/91/80/10/567918010.db2.gz CWQLVVVUIIBJAZ-SFHVURJKSA-N 0 3 296.414 4.809 40 0 CJABHN CCCCN1CCCC[C@@H]1c1cccnc1N[C@@H](C)CC ZINC000072213435 567919263 /nfs/dbraw/zinc/91/92/63/567919263.db2.gz VDYYGFWFOWPMKA-DOTOQJQBSA-N 0 3 289.467 4.619 40 0 CJABHN CCCCN1CCCC[C@H]1c1cccnc1N[C@@H](C)CC ZINC000072213436 567919341 /nfs/dbraw/zinc/91/93/41/567919341.db2.gz VDYYGFWFOWPMKA-RDJZCZTQSA-N 0 3 289.467 4.619 40 0 CJABHN CCCCNc1ncccc1[C@@H]1CCCCN1CCCC ZINC000072213622 567919356 /nfs/dbraw/zinc/91/93/56/567919356.db2.gz HJEBRIRPUSONGU-KRWDZBQOSA-N 0 3 289.467 4.621 40 0 CJABHN CCCCNc1ncccc1[C@H]1CCCCN1CCCC ZINC000072213623 567918907 /nfs/dbraw/zinc/91/89/07/567918907.db2.gz HJEBRIRPUSONGU-QGZVFWFLSA-N 0 3 289.467 4.621 40 0 CJABHN CCCN1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214096 567919666 /nfs/dbraw/zinc/91/96/66/567919666.db2.gz OUDBBUOGUXLHIQ-GOSISDBHSA-N 0 3 295.430 4.762 40 0 CJABHN CCCN1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214097 567919768 /nfs/dbraw/zinc/91/97/68/567919768.db2.gz OUDBBUOGUXLHIQ-SFHVURJKSA-N 0 3 295.430 4.762 40 0 CJABHN CC(C)N1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214098 567919523 /nfs/dbraw/zinc/91/95/23/567919523.db2.gz SDLULJVHUBTHFL-GOSISDBHSA-N 0 3 295.430 4.761 40 0 CJABHN CC(C)N1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214099 567919469 /nfs/dbraw/zinc/91/94/69/567919469.db2.gz SDLULJVHUBTHFL-SFHVURJKSA-N 0 3 295.430 4.761 40 0 CJABHN CC(C)CN1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214141 567919965 /nfs/dbraw/zinc/91/99/65/567919965.db2.gz MGYGJWOLFJQBQE-GOSISDBHSA-N 0 3 295.430 4.618 40 0 CJABHN CC(C)CN1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214142 567919882 /nfs/dbraw/zinc/91/98/82/567919882.db2.gz MGYGJWOLFJQBQE-SFHVURJKSA-N 0 3 295.430 4.618 40 0 CJABHN CCCCN1CCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214143 567919499 /nfs/dbraw/zinc/91/94/99/567919499.db2.gz KHWPYASUTANVJA-GOSISDBHSA-N 0 3 295.430 4.762 40 0 CJABHN CCCCN1CCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214144 567920051 /nfs/dbraw/zinc/92/00/51/567920051.db2.gz KHWPYASUTANVJA-SFHVURJKSA-N 0 3 295.430 4.762 40 0 CJABHN CCCN1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214156 567919466 /nfs/dbraw/zinc/91/94/66/567919466.db2.gz FTUGBUQEEKVVIG-GOSISDBHSA-N 0 3 295.430 4.762 40 0 CJABHN CCCN1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214157 567919663 /nfs/dbraw/zinc/91/96/63/567919663.db2.gz FTUGBUQEEKVVIG-SFHVURJKSA-N 0 3 295.430 4.762 40 0 CJABHN CC(C)N1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214158 567919448 /nfs/dbraw/zinc/91/94/48/567919448.db2.gz VWLCCHAYNCILRS-GOSISDBHSA-N 0 3 295.430 4.761 40 0 CJABHN CC(C)N1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214159 567919632 /nfs/dbraw/zinc/91/96/32/567919632.db2.gz VWLCCHAYNCILRS-SFHVURJKSA-N 0 3 295.430 4.761 40 0 CJABHN CSc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072216967 567921292 /nfs/dbraw/zinc/92/12/92/567921292.db2.gz CJAQIRUACJSODJ-KRWDZBQOSA-N 0 3 298.455 4.531 40 0 CJABHN CSc1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072216968 567921114 /nfs/dbraw/zinc/92/11/14/567921114.db2.gz CJAQIRUACJSODJ-QGZVFWFLSA-N 0 3 298.455 4.531 40 0 CJABHN CCCCN1CCCC[C@@H]1c1ccc(SCC)nc1 ZINC000072217145 567921100 /nfs/dbraw/zinc/92/11/00/567921100.db2.gz MGCHODOWXMHEAG-OAHLLOKOSA-N 0 3 278.465 4.521 40 0 CJABHN CCCCN1CCCC[C@H]1c1ccc(SCC)nc1 ZINC000072217146 567921138 /nfs/dbraw/zinc/92/11/38/567921138.db2.gz MGCHODOWXMHEAG-HNNXBMFYSA-N 0 3 278.465 4.521 40 0 CJABHN CCSc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072217170 567921097 /nfs/dbraw/zinc/92/10/97/567921097.db2.gz LZFCRWGRQZJNTB-KRWDZBQOSA-N 0 3 298.455 4.531 40 0 CJABHN CCSc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072217171 567921117 /nfs/dbraw/zinc/92/11/17/567921117.db2.gz LZFCRWGRQZJNTB-QGZVFWFLSA-N 0 3 298.455 4.531 40 0 CJABHN CCCCN1CCCC[C@@H]1c1cccnc1SCC ZINC000072217205 567920901 /nfs/dbraw/zinc/92/09/01/567920901.db2.gz MQZDPJCWFUQMDU-OAHLLOKOSA-N 0 3 278.465 4.521 40 0 CJABHN CCCCN1CCCC[C@H]1c1cccnc1SCC ZINC000072217206 567921242 /nfs/dbraw/zinc/92/12/42/567921242.db2.gz MQZDPJCWFUQMDU-HNNXBMFYSA-N 0 3 278.465 4.521 40 0 CJABHN CCN1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217232 567920020 /nfs/dbraw/zinc/92/00/20/567920020.db2.gz YBNWZKPZRGDDPA-MRXNPFEDSA-N 0 3 290.476 4.663 40 0 CJABHN CCN1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217233 567919672 /nfs/dbraw/zinc/91/96/72/567919672.db2.gz YBNWZKPZRGDDPA-INIZCTEOSA-N 0 3 290.476 4.663 40 0 CJABHN CCN1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217292 567919906 /nfs/dbraw/zinc/91/99/06/567919906.db2.gz CKBCQWSLVXSVNN-MRXNPFEDSA-N 0 3 290.476 4.663 40 0 CJABHN CCN1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217293 567919686 /nfs/dbraw/zinc/91/96/86/567919686.db2.gz CKBCQWSLVXSVNN-INIZCTEOSA-N 0 3 290.476 4.663 40 0 CJABHN CC(C)N1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217360 567920087 /nfs/dbraw/zinc/92/00/87/567920087.db2.gz XKYGWFLIMZQNAL-CQSZACIVSA-N 0 3 278.465 4.518 40 0 CJABHN CC(C)N1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217361 567919873 /nfs/dbraw/zinc/91/98/73/567919873.db2.gz XKYGWFLIMZQNAL-AWEZNQCLSA-N 0 3 278.465 4.518 40 0 CJABHN CCCN1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217362 567919941 /nfs/dbraw/zinc/91/99/41/567919941.db2.gz ACJBQVSBFBOVRR-CQSZACIVSA-N 0 3 278.465 4.519 40 0 CJABHN CCCN1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217363 567919990 /nfs/dbraw/zinc/91/99/90/567919990.db2.gz ACJBQVSBFBOVRR-AWEZNQCLSA-N 0 3 278.465 4.519 40 0 CJABHN CC(C)CN1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217364 567919529 /nfs/dbraw/zinc/91/95/29/567919529.db2.gz AISDXYCPPXDICQ-OAHLLOKOSA-N 0 3 292.492 4.765 40 0 CJABHN CC(C)CN1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217365 567920027 /nfs/dbraw/zinc/92/00/27/567920027.db2.gz AISDXYCPPXDICQ-HNNXBMFYSA-N 0 3 292.492 4.765 40 0 CJABHN CCCCN1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217366 567919489 /nfs/dbraw/zinc/91/94/89/567919489.db2.gz DAHMARWLNIUVJG-OAHLLOKOSA-N 0 3 292.492 4.909 40 0 CJABHN CCCCN1CCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217367 567919573 /nfs/dbraw/zinc/91/95/73/567919573.db2.gz DAHMARWLNIUVJG-HNNXBMFYSA-N 0 3 292.492 4.909 40 0 CJABHN CCCN1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217379 567919750 /nfs/dbraw/zinc/91/97/50/567919750.db2.gz BRBLJHZATKQOAZ-OAHLLOKOSA-N 0 3 292.492 4.909 40 0 CJABHN CCCN1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217380 567919463 /nfs/dbraw/zinc/91/94/63/567919463.db2.gz BRBLJHZATKQOAZ-HNNXBMFYSA-N 0 3 292.492 4.909 40 0 CJABHN CC(C)N1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217381 567919901 /nfs/dbraw/zinc/91/99/01/567919901.db2.gz SVLBRLGQWJMKBF-OAHLLOKOSA-N 0 3 292.492 4.908 40 0 CJABHN CC(C)N1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217382 567919921 /nfs/dbraw/zinc/91/99/21/567919921.db2.gz SVLBRLGQWJMKBF-HNNXBMFYSA-N 0 3 292.492 4.908 40 0 CJABHN CC(C)N1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217420 567919586 /nfs/dbraw/zinc/91/95/86/567919586.db2.gz IZKAZTABKSOHAP-CQSZACIVSA-N 0 3 278.465 4.518 40 0 CJABHN CC(C)N1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217421 567919629 /nfs/dbraw/zinc/91/96/29/567919629.db2.gz IZKAZTABKSOHAP-AWEZNQCLSA-N 0 3 278.465 4.518 40 0 CJABHN CCCN1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217422 567919708 /nfs/dbraw/zinc/91/97/08/567919708.db2.gz CJBCXWJETZSYQR-CQSZACIVSA-N 0 3 278.465 4.519 40 0 CJABHN CCCN1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217423 567919552 /nfs/dbraw/zinc/91/95/52/567919552.db2.gz CJBCXWJETZSYQR-AWEZNQCLSA-N 0 3 278.465 4.519 40 0 CJABHN CC(C)CN1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217424 567919852 /nfs/dbraw/zinc/91/98/52/567919852.db2.gz QBSJFOFPVMHCON-OAHLLOKOSA-N 0 3 292.492 4.765 40 0 CJABHN CC(C)CN1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217425 567919894 /nfs/dbraw/zinc/91/98/94/567919894.db2.gz QBSJFOFPVMHCON-HNNXBMFYSA-N 0 3 292.492 4.765 40 0 CJABHN CCCCN1CCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217426 567919657 /nfs/dbraw/zinc/91/96/57/567919657.db2.gz JONJCTKKVVWLFM-OAHLLOKOSA-N 0 3 292.492 4.909 40 0 CJABHN CCCCN1CCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217427 567919876 /nfs/dbraw/zinc/91/98/76/567919876.db2.gz JONJCTKKVVWLFM-HNNXBMFYSA-N 0 3 292.492 4.909 40 0 CJABHN CCN1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217437 567919562 /nfs/dbraw/zinc/91/95/62/567919562.db2.gz HURITYWKINFNSH-CQSZACIVSA-N 0 3 278.465 4.519 40 0 CJABHN CCN1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217438 567919635 /nfs/dbraw/zinc/91/96/35/567919635.db2.gz HURITYWKINFNSH-AWEZNQCLSA-N 0 3 278.465 4.519 40 0 CJABHN CCCN1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217439 567919607 /nfs/dbraw/zinc/91/96/07/567919607.db2.gz CIMNBIUUCLKAMY-OAHLLOKOSA-N 0 3 292.492 4.909 40 0 CJABHN CCCN1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217440 567919509 /nfs/dbraw/zinc/91/95/09/567919509.db2.gz CIMNBIUUCLKAMY-HNNXBMFYSA-N 0 3 292.492 4.909 40 0 CJABHN CC(C)N1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217441 567919759 /nfs/dbraw/zinc/91/97/59/567919759.db2.gz AQOOFGUYJQJQQA-OAHLLOKOSA-N 0 3 292.492 4.908 40 0 CJABHN CC(C)N1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217442 567919669 /nfs/dbraw/zinc/91/96/69/567919669.db2.gz AQOOFGUYJQJQQA-HNNXBMFYSA-N 0 3 292.492 4.908 40 0 CJABHN CCCCN1CCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217486 567920792 /nfs/dbraw/zinc/92/07/92/567920792.db2.gz FQZYFONOONVRLC-OAHLLOKOSA-N 0 3 278.465 4.519 40 0 CJABHN CCCCN1CCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217487 567920222 /nfs/dbraw/zinc/92/02/22/567920222.db2.gz FQZYFONOONVRLC-HNNXBMFYSA-N 0 3 278.465 4.519 40 0 CJABHN CCCN1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217499 567920225 /nfs/dbraw/zinc/92/02/25/567920225.db2.gz RKQAUPNXTVSWIW-OAHLLOKOSA-N 0 3 278.465 4.519 40 0 CJABHN CCCN1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217500 567920540 /nfs/dbraw/zinc/92/05/40/567920540.db2.gz RKQAUPNXTVSWIW-HNNXBMFYSA-N 0 3 278.465 4.519 40 0 CJABHN CC(C)Sc1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072217501 567920535 /nfs/dbraw/zinc/92/05/35/567920535.db2.gz NGZOJKZGZZGBDI-OAHLLOKOSA-N 0 3 278.465 4.518 40 0 CJABHN CC(C)Sc1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072217502 567920712 /nfs/dbraw/zinc/92/07/12/567920712.db2.gz NGZOJKZGZZGBDI-HNNXBMFYSA-N 0 3 278.465 4.518 40 0 CJABHN CC(C)CN1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217503 567920169 /nfs/dbraw/zinc/92/01/69/567920169.db2.gz YWYLILWUKSXCRL-MRXNPFEDSA-N 0 3 292.492 4.765 40 0 CJABHN CC(C)CN1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217504 567920246 /nfs/dbraw/zinc/92/02/46/567920246.db2.gz YWYLILWUKSXCRL-INIZCTEOSA-N 0 3 292.492 4.765 40 0 CJABHN CCCCN1CCCC[C@@H]1c1ccc(SC(C)C)nc1 ZINC000072217505 567920392 /nfs/dbraw/zinc/92/03/92/567920392.db2.gz MQPZZLPWFPGQNV-MRXNPFEDSA-N 0 3 292.492 4.909 40 0 CJABHN CCCCN1CCCC[C@H]1c1ccc(SC(C)C)nc1 ZINC000072217506 567920263 /nfs/dbraw/zinc/92/02/63/567920263.db2.gz MQPZZLPWFPGQNV-INIZCTEOSA-N 0 3 292.492 4.909 40 0 CJABHN CCCCN1CCC[C@@H]1c1cccnc1SC(C)C ZINC000072217546 567920596 /nfs/dbraw/zinc/92/05/96/567920596.db2.gz SMULHDAYCAPKKS-OAHLLOKOSA-N 0 3 278.465 4.519 40 0 CJABHN CCCCN1CCC[C@H]1c1cccnc1SC(C)C ZINC000072217547 567920783 /nfs/dbraw/zinc/92/07/83/567920783.db2.gz SMULHDAYCAPKKS-HNNXBMFYSA-N 0 3 278.465 4.519 40 0 CJABHN CCCN1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217559 567920108 /nfs/dbraw/zinc/92/01/08/567920108.db2.gz KYHCOGCQLKMNEY-OAHLLOKOSA-N 0 3 278.465 4.519 40 0 CJABHN CCCN1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217560 567920681 /nfs/dbraw/zinc/92/06/81/567920681.db2.gz KYHCOGCQLKMNEY-HNNXBMFYSA-N 0 3 278.465 4.519 40 0 CJABHN CC(C)Sc1ncccc1[C@H]1CCCCN1C(C)C ZINC000072217561 567920614 /nfs/dbraw/zinc/92/06/14/567920614.db2.gz DLYWSUIUBNXSLK-OAHLLOKOSA-N 0 3 278.465 4.518 40 0 CJABHN CC(C)Sc1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072217562 567920745 /nfs/dbraw/zinc/92/07/45/567920745.db2.gz DLYWSUIUBNXSLK-HNNXBMFYSA-N 0 3 278.465 4.518 40 0 CJABHN CC(C)CN1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217563 567920473 /nfs/dbraw/zinc/92/04/73/567920473.db2.gz DNZNTJDRIOOKQA-MRXNPFEDSA-N 0 3 292.492 4.765 40 0 CJABHN CC(C)CN1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217564 567920324 /nfs/dbraw/zinc/92/03/24/567920324.db2.gz DNZNTJDRIOOKQA-INIZCTEOSA-N 0 3 292.492 4.765 40 0 CJABHN CCCCN1CCCC[C@@H]1c1cccnc1SC(C)C ZINC000072217565 567920721 /nfs/dbraw/zinc/92/07/21/567920721.db2.gz IEKOZUHRLFBVHH-MRXNPFEDSA-N 0 3 292.492 4.909 40 0 CJABHN CCCCN1CCCC[C@H]1c1cccnc1SC(C)C ZINC000072217566 256709634 /nfs/dbraw/zinc/70/96/34/256709634.db2.gz IEKOZUHRLFBVHH-INIZCTEOSA-N 0 3 292.492 4.909 40 0 CJABHN CC(C)N1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217600 256709460 /nfs/dbraw/zinc/70/94/60/256709460.db2.gz TTZYTYNACKZRQI-QGZVFWFLSA-N 0 3 298.455 4.778 40 0 CJABHN CC(C)N1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217601 567920337 /nfs/dbraw/zinc/92/03/37/567920337.db2.gz TTZYTYNACKZRQI-KRWDZBQOSA-N 0 3 298.455 4.778 40 0 CJABHN CCCN1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217602 567920463 /nfs/dbraw/zinc/92/04/63/567920463.db2.gz TYPOBXNGOHKUPK-QGZVFWFLSA-N 0 3 298.455 4.780 40 0 CJABHN CCCN1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217603 567920773 /nfs/dbraw/zinc/92/07/73/567920773.db2.gz TYPOBXNGOHKUPK-KRWDZBQOSA-N 0 3 298.455 4.780 40 0 CJABHN CC(C)N1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217660 567920715 /nfs/dbraw/zinc/92/07/15/567920715.db2.gz CHIUHNKLHUAICC-QGZVFWFLSA-N 0 3 298.455 4.778 40 0 CJABHN CC(C)N1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217661 567920629 /nfs/dbraw/zinc/92/06/29/567920629.db2.gz CHIUHNKLHUAICC-KRWDZBQOSA-N 0 3 298.455 4.778 40 0 CJABHN CCCN1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217662 567920296 /nfs/dbraw/zinc/92/02/96/567920296.db2.gz FMNYSNTZDAQWSH-QGZVFWFLSA-N 0 3 298.455 4.780 40 0 CJABHN CCCN1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217663 567920657 /nfs/dbraw/zinc/92/06/57/567920657.db2.gz FMNYSNTZDAQWSH-KRWDZBQOSA-N 0 3 298.455 4.780 40 0 CJABHN CCN1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217677 567920571 /nfs/dbraw/zinc/92/05/71/567920571.db2.gz HQBCCYGNHLEKJG-QGZVFWFLSA-N 0 3 298.455 4.780 40 0 CJABHN CCN1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217678 567920104 /nfs/dbraw/zinc/92/01/04/567920104.db2.gz HQBCCYGNHLEKJG-KRWDZBQOSA-N 0 3 298.455 4.780 40 0 CJABHN c1ccc(CN2CCC[C@@H]2c2cnc3ccccc3c2)cc1 ZINC000072219556 567921849 /nfs/dbraw/zinc/92/18/49/567921849.db2.gz CNVGGBCIDZGXQA-HXUWFJFHSA-N 0 3 288.394 4.572 40 0 CJABHN c1ccc(CN2CCC[C@H]2c2cnc3ccccc3c2)cc1 ZINC000072219557 567921614 /nfs/dbraw/zinc/92/16/14/567921614.db2.gz CNVGGBCIDZGXQA-FQEVSTJZSA-N 0 3 288.394 4.572 40 0 CJABHN Fc1ccc([C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000072221854 567922182 /nfs/dbraw/zinc/92/21/82/567922182.db2.gz LNOVHUJTGBSHTP-GOSISDBHSA-N 0 3 269.363 4.553 40 0 CJABHN Fc1ccc([C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000072221855 567922347 /nfs/dbraw/zinc/92/23/47/567922347.db2.gz LNOVHUJTGBSHTP-SFHVURJKSA-N 0 3 269.363 4.553 40 0 CJABHN N[C@@H](c1ccccc1)c1ccc(SC2CCCCC2)nc1 ZINC000072225729 567922760 /nfs/dbraw/zinc/92/27/60/567922760.db2.gz SWGJAJVIIBBPMK-SFHVURJKSA-N 0 3 298.455 4.555 40 0 CJABHN N[C@H](c1ccccc1)c1ccc(SC2CCCCC2)nc1 ZINC000072225730 567922792 /nfs/dbraw/zinc/92/27/92/567922792.db2.gz SWGJAJVIIBBPMK-GOSISDBHSA-N 0 3 298.455 4.555 40 0 CJABHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2ccsc2)CC1 ZINC000096052541 185075005 /nfs/dbraw/zinc/07/50/05/185075005.db2.gz VBVBAHYBYLARTI-UHFFFAOYSA-N 0 3 297.467 4.537 40 0 CJABHN CCCCN1CCCC[C@@H]1c1cccnc1N[C@H](C)CC ZINC000108368546 567103705 /nfs/dbraw/zinc/10/37/05/567103705.db2.gz VDYYGFWFOWPMKA-NVXWUHKLSA-N 0 3 289.467 4.619 40 0 CJABHN CCCCN1CCCC[C@H]1c1cccnc1N[C@H](C)CC ZINC000108368551 567103153 /nfs/dbraw/zinc/10/31/53/567103153.db2.gz VDYYGFWFOWPMKA-WBVHZDCISA-N 0 3 289.467 4.619 40 0 CJABHN O=C(CN(C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000142362247 567083612 /nfs/dbraw/zinc/08/36/12/567083612.db2.gz PHCOPFWATCMYAH-UHFFFAOYSA-N 0 3 299.458 4.837 40 0 CJABHN CCCCN[C@@H](CC)c1cccc(Cl)c1Cl ZINC000222636198 567948981 /nfs/dbraw/zinc/94/89/81/567948981.db2.gz JJRYSPOPKXFQBV-LBPRGKRZSA-N 0 3 260.208 4.834 40 0 CJABHN CCCCN[C@H](CC)c1cccc(Cl)c1Cl ZINC000222636270 189732573 /nfs/dbraw/zinc/73/25/73/189732573.db2.gz JJRYSPOPKXFQBV-GFCCVEGCSA-N 0 3 260.208 4.834 40 0 CJABHN