smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2cccc(Cl)c2)c2ccc(Cl)cc2[nH+]1 ZINC000000120840 563219977 /nfs/dbraw/zinc/21/99/77/563219977.db2.gz BXIQBRYKXVDMQA-UHFFFAOYSA-N 1 1 303.192 5.594 40 0 DKABMO Cc1cccc2[nH+]c(-c3ccc(F)cc3)c(NC3CCCCC3)n21 ZINC000000319872 563914796 /nfs/dbraw/zinc/91/47/96/563914796.db2.gz NVVATMKJVGILRY-UHFFFAOYSA-N 1 1 323.415 5.193 40 0 DKABMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1)c2NC1CCCCC1 ZINC000000319917 563607726 /nfs/dbraw/zinc/60/77/26/563607726.db2.gz OCJJVYSPBBVMOB-UHFFFAOYSA-N 1 1 305.425 5.054 40 0 DKABMO Cc1ccc2[nH+]c(-c3ccccc3)c(NC3CCCCC3)n2c1 ZINC000000320045 563607772 /nfs/dbraw/zinc/60/77/72/563607772.db2.gz GKTJMZSDLAORQM-UHFFFAOYSA-N 1 1 305.425 5.054 40 0 DKABMO CC(C)(C)Nc1c(-c2ccc(F)cc2)[nH+]c2ccc(Cl)cn21 ZINC000000320251 563607375 /nfs/dbraw/zinc/60/73/75/563607375.db2.gz SGOXNTSNRZCJCJ-UHFFFAOYSA-N 1 1 317.795 5.004 40 0 DKABMO Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c(NC(C)(C)C)n2c1 ZINC000000320363 563588155 /nfs/dbraw/zinc/58/81/55/563588155.db2.gz YVZCBZNLFOGJHJ-UHFFFAOYSA-N 1 1 313.832 5.174 40 0 DKABMO Cc1cccn2c(NC3CCCCC3)c(-c3ccc(F)cc3)[nH+]c12 ZINC000000412104 563608212 /nfs/dbraw/zinc/60/82/12/563608212.db2.gz FZRWAPCBKUEMEU-UHFFFAOYSA-N 1 1 323.415 5.193 40 0 DKABMO CC(C)Nc1c(-c2ccc(Cl)cc2)[nH+]c2ccc(Cl)cn21 ZINC000000413737 563609005 /nfs/dbraw/zinc/60/90/05/563609005.db2.gz JPJQXZCLNVNMJK-UHFFFAOYSA-N 1 1 320.223 5.128 40 0 DKABMO CC(C)CCNc1c(-c2ccccc2)[nH+]c2ccc(Cl)cn21 ZINC000000417099 563607996 /nfs/dbraw/zinc/60/79/96/563607996.db2.gz SASNXTIDTUXXAZ-UHFFFAOYSA-N 1 1 313.832 5.113 40 0 DKABMO Clc1ccc2[nH+]c(-c3ccccc3)c(NC3CCCC3)n2c1 ZINC000000417116 563608126 /nfs/dbraw/zinc/60/81/26/563608126.db2.gz CDGMGVGRYUGVFW-UHFFFAOYSA-N 1 1 311.816 5.009 40 0 DKABMO Clc1ccc(-c2[nH+]c3ccccn3c2NC2CCCC2)cc1 ZINC000000417873 563608881 /nfs/dbraw/zinc/60/88/81/563608881.db2.gz SAQLIMMILIJSHE-UHFFFAOYSA-N 1 1 311.816 5.009 40 0 DKABMO CC[C@](C/C=C/c1ccccc1)(c1ccccc1)[N@@H+](C)CC1CC1 ZINC000001481860 563284060 /nfs/dbraw/zinc/28/40/60/563284060.db2.gz VCZSWYIFCKGTJI-YYVWFHOOSA-N 1 1 319.492 5.737 40 0 investigational DKABMO c1ccc(C2=CC[N@@H+](C3(c4ccccc4)CCCCC3)CC2)cc1 ZINC000001688532 563291287 /nfs/dbraw/zinc/29/12/87/563291287.db2.gz JVHUXNLWZQSPNF-UHFFFAOYSA-N 1 1 317.476 5.635 40 0 DKABMO C[C@@H]1C[C@@H](CN2c3ccccc3Sc3ccccc32)[C@H](C)[N@H+]1C ZINC000001726188 563294024 /nfs/dbraw/zinc/29/40/24/563294024.db2.gz QQSZFVCXPDARGG-PMPSAXMXSA-N 1 1 324.493 5.018 40 0 DKABMO Cc1[nH+]ccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003844478 181048286 /nfs/dbraw/zinc/04/82/86/181048286.db2.gz IQWYMGYULZCICZ-UHFFFAOYSA-N 1 1 324.427 5.032 40 0 DKABMO CC[C@](C/C=C\c1ccccc1)(c1ccccc1)[N@@H+](C)CC1CC1 ZINC000004468883 181111509 /nfs/dbraw/zinc/11/15/09/181111509.db2.gz VCZSWYIFCKGTJI-OCUNKTDNSA-N 1 1 319.492 5.737 40 0 DKABMO CCCC[C@@H](CC)C[N@H+](C[C@@H](CC)CCCC)[C@H]1C=CCCC1 ZINC000004901013 181170292 /nfs/dbraw/zinc/17/02/92/181170292.db2.gz RWTYMQKQXYRRMK-BDTNDASRSA-N 1 1 321.593 6.830 40 0 DKABMO C(C[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)=C(c1ccccc1)c1ccccc1 ZINC000004934847 181175164 /nfs/dbraw/zinc/17/51/64/181175164.db2.gz YDOGBWXVZBIQPR-PMACEKPBSA-N 1 1 317.476 5.240 40 0 DKABMO C[C@@H]1C[C@H](CN2c3ccccc3Sc3ccccc32)[C@H](C)[N@H+]1C ZINC000005052985 563329368 /nfs/dbraw/zinc/32/93/68/563329368.db2.gz QQSZFVCXPDARGG-OWCLPIDISA-N 1 1 324.493 5.018 40 0 DKABMO C[C@H]1C[C@H](CN2c3ccccc3Sc3ccccc32)[C@H](C)[N@H+]1C ZINC000005052986 563328873 /nfs/dbraw/zinc/32/88/73/563328873.db2.gz QQSZFVCXPDARGG-HRCADAONSA-N 1 1 324.493 5.018 40 0 DKABMO C[C@H]1C[C@@H](CN2c3ccccc3Sc3ccccc32)[C@H](C)[N@H+]1C ZINC000005052988 563329281 /nfs/dbraw/zinc/32/92/81/563329281.db2.gz QQSZFVCXPDARGG-JYJNAYRXSA-N 1 1 324.493 5.018 40 0 DKABMO Cc1ccc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2F)cc1 ZINC000005059307 181198587 /nfs/dbraw/zinc/19/85/87/181198587.db2.gz LVUNXLQSNWTIHG-IHWFROFDSA-N 1 1 309.428 5.045 40 0 DKABMO CC[C@@](C/C=C/c1ccccc1)(c1ccccc1)[N@@H+](C)CC1CC1 ZINC000005923781 181296287 /nfs/dbraw/zinc/29/62/87/181296287.db2.gz VCZSWYIFCKGTJI-UQNNOOFXSA-N 1 1 319.492 5.737 40 0 investigational DKABMO CC[C@@](C/C=C\c1ccccc1)(c1ccccc1)[N@@H+](C)CC1CC1 ZINC000005923793 181296681 /nfs/dbraw/zinc/29/66/81/181296681.db2.gz VCZSWYIFCKGTJI-JGDYFIEFSA-N 1 1 319.492 5.737 40 0 DKABMO Fc1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1 ZINC000007524377 563640423 /nfs/dbraw/zinc/64/04/23/563640423.db2.gz YTKOFXKMQUENER-UHFFFAOYSA-N 1 1 315.775 5.029 40 0 DKABMO Cc1[nH+]c2cc(C)c(C)cc2n1CCCOc1ccc(C)c(C)c1 ZINC000007542449 563339727 /nfs/dbraw/zinc/33/97/27/563339727.db2.gz BYPAVTQTUVIFCN-UHFFFAOYSA-N 1 1 322.452 5.048 40 0 DKABMO Clc1cccc(-c2ccc(C[NH2+]Cc3ccco3)o2)c1Cl ZINC000020158508 182194020 /nfs/dbraw/zinc/19/40/20/182194020.db2.gz DJDJSFUUKHCQHE-UHFFFAOYSA-N 1 1 322.191 5.136 40 0 DKABMO Clc1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)cc1Cl ZINC000020158541 182193994 /nfs/dbraw/zinc/19/39/94/182193994.db2.gz KAEMFUSJWNVZHT-UHFFFAOYSA-N 1 1 322.191 5.136 40 0 DKABMO CCCCN(CCCC)[C@H](CC)C[NH+](CCCC)CCCC ZINC000022862598 182337723 /nfs/dbraw/zinc/33/77/23/182337723.db2.gz QTRQUZKXZCGXTH-HXUWFJFHSA-N 1 1 312.586 5.569 40 0 DKABMO CCCCN(CCCC)[C@@H](CC)C[NH+](CCCC)CCCC ZINC000022863442 182337862 /nfs/dbraw/zinc/33/78/62/182337862.db2.gz QTRQUZKXZCGXTH-FQEVSTJZSA-N 1 1 312.586 5.569 40 0 DKABMO C[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000031792492 563440772 /nfs/dbraw/zinc/44/07/72/563440772.db2.gz KIKLTPNJUJLALC-KRWDZBQOSA-N 1 1 305.421 5.010 40 0 DKABMO C[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000031792497 563441150 /nfs/dbraw/zinc/44/11/50/563441150.db2.gz KIKLTPNJUJLALC-QGZVFWFLSA-N 1 1 305.421 5.010 40 0 DKABMO CC[NH+](CC)c1ccc(Nc2cc(C)c3ccccc3n2)cc1 ZINC000057270736 184031579 /nfs/dbraw/zinc/03/15/79/184031579.db2.gz DIJCWVDSBKURIZ-UHFFFAOYSA-N 1 1 305.425 5.133 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212161 257126840 /nfs/dbraw/zinc/12/68/40/257126840.db2.gz ZSUXKBNWEBDMPG-LJQANCHMSA-N 1 1 310.441 5.057 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212162 257127547 /nfs/dbraw/zinc/12/75/47/257127547.db2.gz ZSUXKBNWEBDMPG-IBGZPJMESA-N 1 1 310.441 5.057 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212163 257127398 /nfs/dbraw/zinc/12/73/98/257127398.db2.gz HSGGVSGDFKPCRA-LJQANCHMSA-N 1 1 310.441 5.201 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212164 257127087 /nfs/dbraw/zinc/12/70/87/257127087.db2.gz HSGGVSGDFKPCRA-IBGZPJMESA-N 1 1 310.441 5.201 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212221 257127105 /nfs/dbraw/zinc/12/71/05/257127105.db2.gz JPLFMMGABNRXKA-LJQANCHMSA-N 1 1 310.441 5.057 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212222 257126877 /nfs/dbraw/zinc/12/68/77/257126877.db2.gz JPLFMMGABNRXKA-IBGZPJMESA-N 1 1 310.441 5.057 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212223 257126791 /nfs/dbraw/zinc/12/67/91/257126791.db2.gz BYBBZLCTFSBXCQ-LJQANCHMSA-N 1 1 310.441 5.201 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212224 257127340 /nfs/dbraw/zinc/12/73/40/257127340.db2.gz BYBBZLCTFSBXCQ-IBGZPJMESA-N 1 1 310.441 5.201 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212980 257127508 /nfs/dbraw/zinc/12/75/08/257127508.db2.gz CVMJQLRRXRRWCJ-LJQANCHMSA-N 1 1 317.521 5.032 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212981 257127316 /nfs/dbraw/zinc/12/73/16/257127316.db2.gz CVMJQLRRXRRWCJ-IBGZPJMESA-N 1 1 317.521 5.032 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213040 257127189 /nfs/dbraw/zinc/12/71/89/257127189.db2.gz TTYYIZBTUGIFGM-LJQANCHMSA-N 1 1 317.521 5.032 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213041 257127264 /nfs/dbraw/zinc/12/72/64/257127264.db2.gz TTYYIZBTUGIFGM-IBGZPJMESA-N 1 1 317.521 5.032 40 0 DKABMO CC[C@@H](C)Nc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213437 257127558 /nfs/dbraw/zinc/12/75/58/257127558.db2.gz LFUBPJPQQYSGGT-XLIONFOSSA-N 1 1 323.484 5.019 40 0 DKABMO CC[C@H](C)Nc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213438 257126896 /nfs/dbraw/zinc/12/68/96/257126896.db2.gz LFUBPJPQQYSGGT-PXNSSMCTSA-N 1 1 323.484 5.019 40 0 DKABMO CC[C@@H](C)Nc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213439 257127150 /nfs/dbraw/zinc/12/71/50/257127150.db2.gz LFUBPJPQQYSGGT-YLJYHZDGSA-N 1 1 323.484 5.019 40 0 DKABMO CC[C@H](C)Nc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213440 257127067 /nfs/dbraw/zinc/12/70/67/257127067.db2.gz LFUBPJPQQYSGGT-FXAWDEMLSA-N 1 1 323.484 5.019 40 0 DKABMO CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213549 257126144 /nfs/dbraw/zinc/12/61/44/257126144.db2.gz JFGUDXOVPXAJJQ-XLIONFOSSA-N 1 1 323.484 5.019 40 0 DKABMO CC[C@H](C)Nc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213550 257126682 /nfs/dbraw/zinc/12/66/82/257126682.db2.gz JFGUDXOVPXAJJQ-PXNSSMCTSA-N 1 1 323.484 5.019 40 0 DKABMO CC[C@@H](C)Nc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213551 257126551 /nfs/dbraw/zinc/12/65/51/257126551.db2.gz JFGUDXOVPXAJJQ-YLJYHZDGSA-N 1 1 323.484 5.019 40 0 DKABMO CC[C@H](C)Nc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213552 257126244 /nfs/dbraw/zinc/12/62/44/257126244.db2.gz JFGUDXOVPXAJJQ-FXAWDEMLSA-N 1 1 323.484 5.019 40 0 DKABMO CCCCNc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213624 257126516 /nfs/dbraw/zinc/12/65/16/257126516.db2.gz AEVUCHFCUCLLQM-FQEVSTJZSA-N 1 1 323.484 5.021 40 0 DKABMO CCCCNc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213625 257125821 /nfs/dbraw/zinc/12/58/21/257125821.db2.gz AEVUCHFCUCLLQM-HXUWFJFHSA-N 1 1 323.484 5.021 40 0 DKABMO CCCCNc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213684 257125899 /nfs/dbraw/zinc/12/58/99/257125899.db2.gz QRTASHDGJQWTPB-FQEVSTJZSA-N 1 1 323.484 5.021 40 0 DKABMO CCCCNc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213685 257126337 /nfs/dbraw/zinc/12/63/37/257126337.db2.gz QRTASHDGJQWTPB-HXUWFJFHSA-N 1 1 323.484 5.021 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214040 257126079 /nfs/dbraw/zinc/12/60/79/257126079.db2.gz VVYFVBDUJFAULI-LJQANCHMSA-N 1 1 315.505 5.009 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214041 257126031 /nfs/dbraw/zinc/12/60/31/257126031.db2.gz VVYFVBDUJFAULI-IBGZPJMESA-N 1 1 315.505 5.009 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214042 257126733 /nfs/dbraw/zinc/12/67/33/257126733.db2.gz YPTCRAUSHHJBFH-LJQANCHMSA-N 1 1 315.505 5.153 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214043 257126605 /nfs/dbraw/zinc/12/66/05/257126605.db2.gz YPTCRAUSHHJBFH-IBGZPJMESA-N 1 1 315.505 5.153 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214100 257126715 /nfs/dbraw/zinc/12/67/15/257126715.db2.gz LAZIBIMOGATCHP-LJQANCHMSA-N 1 1 309.457 5.008 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214101 257126627 /nfs/dbraw/zinc/12/66/27/257126627.db2.gz LAZIBIMOGATCHP-IBGZPJMESA-N 1 1 309.457 5.008 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214102 257126290 /nfs/dbraw/zinc/12/62/90/257126290.db2.gz CDNMNGCGCOQZKF-LJQANCHMSA-N 1 1 309.457 5.152 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214103 257126381 /nfs/dbraw/zinc/12/63/81/257126381.db2.gz CDNMNGCGCOQZKF-IBGZPJMESA-N 1 1 309.457 5.152 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214160 257126216 /nfs/dbraw/zinc/12/62/16/257126216.db2.gz VSYLOKGYHGJIFA-LJQANCHMSA-N 1 1 309.457 5.008 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214161 257126166 /nfs/dbraw/zinc/12/61/66/257126166.db2.gz VSYLOKGYHGJIFA-IBGZPJMESA-N 1 1 309.457 5.008 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214162 257126647 /nfs/dbraw/zinc/12/66/47/257126647.db2.gz UKOCNWZWSIPZQJ-LJQANCHMSA-N 1 1 309.457 5.152 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214163 257125882 /nfs/dbraw/zinc/12/58/82/257125882.db2.gz UKOCNWZWSIPZQJ-IBGZPJMESA-N 1 1 309.457 5.152 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214220 257125880 /nfs/dbraw/zinc/12/58/80/257125880.db2.gz UZQPMSGOXVNZTF-HXUWFJFHSA-N 1 1 323.484 5.033 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214221 257126457 /nfs/dbraw/zinc/12/64/57/257126457.db2.gz UZQPMSGOXVNZTF-FQEVSTJZSA-N 1 1 323.484 5.033 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214222 257126728 /nfs/dbraw/zinc/12/67/28/257126728.db2.gz GHAGBIQOWDTXBN-HXUWFJFHSA-N 1 1 323.484 5.177 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214223 257126157 /nfs/dbraw/zinc/12/61/57/257126157.db2.gz GHAGBIQOWDTXBN-FQEVSTJZSA-N 1 1 323.484 5.177 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214280 257126619 /nfs/dbraw/zinc/12/66/19/257126619.db2.gz HHTQOCYKMJYBOR-HXUWFJFHSA-N 1 1 323.484 5.033 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214281 257126235 /nfs/dbraw/zinc/12/62/35/257126235.db2.gz HHTQOCYKMJYBOR-FQEVSTJZSA-N 1 1 323.484 5.033 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214282 257126724 /nfs/dbraw/zinc/12/67/24/257126724.db2.gz LXKKDCNHNRXRMS-HXUWFJFHSA-N 1 1 323.484 5.177 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214283 257125974 /nfs/dbraw/zinc/12/59/74/257125974.db2.gz LXKKDCNHNRXRMS-FQEVSTJZSA-N 1 1 323.484 5.177 40 0 DKABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217240 257124712 /nfs/dbraw/zinc/12/47/12/257124712.db2.gz JSNRKVJDOIXNQE-QGZVFWFLSA-N 1 1 304.503 5.052 40 0 DKABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217241 257124913 /nfs/dbraw/zinc/12/49/13/257124913.db2.gz JSNRKVJDOIXNQE-KRWDZBQOSA-N 1 1 304.503 5.052 40 0 DKABMO CCC[N@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217242 257124877 /nfs/dbraw/zinc/12/48/77/257124877.db2.gz VHEZCQWBTZALJR-QGZVFWFLSA-N 1 1 304.503 5.053 40 0 DKABMO CCC[N@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217243 257124745 /nfs/dbraw/zinc/12/47/45/257124745.db2.gz VHEZCQWBTZALJR-KRWDZBQOSA-N 1 1 304.503 5.053 40 0 DKABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217244 257124871 /nfs/dbraw/zinc/12/48/71/257124871.db2.gz BWINUPIHNBLQIE-GOSISDBHSA-N 1 1 318.530 5.299 40 0 DKABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217245 257125073 /nfs/dbraw/zinc/12/50/73/257125073.db2.gz BWINUPIHNBLQIE-SFHVURJKSA-N 1 1 318.530 5.299 40 0 DKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217246 257125346 /nfs/dbraw/zinc/12/53/46/257125346.db2.gz YSTWDYYJOKEDRX-GOSISDBHSA-N 1 1 318.530 5.443 40 0 DKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217247 257125064 /nfs/dbraw/zinc/12/50/64/257125064.db2.gz YSTWDYYJOKEDRX-SFHVURJKSA-N 1 1 318.530 5.443 40 0 DKABMO CC[N@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217257 257124843 /nfs/dbraw/zinc/12/48/43/257124843.db2.gz OMPNYCMIYSSZLY-QGZVFWFLSA-N 1 1 304.503 5.053 40 0 DKABMO CC[N@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217258 257125161 /nfs/dbraw/zinc/12/51/61/257125161.db2.gz OMPNYCMIYSSZLY-KRWDZBQOSA-N 1 1 304.503 5.053 40 0 DKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217259 257125181 /nfs/dbraw/zinc/12/51/81/257125181.db2.gz FTNOZWAYCKUFMF-GOSISDBHSA-N 1 1 318.530 5.443 40 0 DKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217260 257125529 /nfs/dbraw/zinc/12/55/29/257125529.db2.gz FTNOZWAYCKUFMF-SFHVURJKSA-N 1 1 318.530 5.443 40 0 DKABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217261 257124826 /nfs/dbraw/zinc/12/48/26/257124826.db2.gz GKKWKPRFUHMAHU-GOSISDBHSA-N 1 1 318.530 5.442 40 0 DKABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217262 257125388 /nfs/dbraw/zinc/12/53/88/257125388.db2.gz GKKWKPRFUHMAHU-SFHVURJKSA-N 1 1 318.530 5.442 40 0 DKABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217300 257125476 /nfs/dbraw/zinc/12/54/76/257125476.db2.gz BPBFQNAVEZZHRS-QGZVFWFLSA-N 1 1 304.503 5.052 40 0 DKABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217301 257125545 /nfs/dbraw/zinc/12/55/45/257125545.db2.gz BPBFQNAVEZZHRS-KRWDZBQOSA-N 1 1 304.503 5.052 40 0 DKABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217302 257124684 /nfs/dbraw/zinc/12/46/84/257124684.db2.gz JCURQQIGCYCHPR-QGZVFWFLSA-N 1 1 304.503 5.053 40 0 DKABMO CCC[N@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217303 257124803 /nfs/dbraw/zinc/12/48/03/257124803.db2.gz JCURQQIGCYCHPR-KRWDZBQOSA-N 1 1 304.503 5.053 40 0 DKABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217304 257124789 /nfs/dbraw/zinc/12/47/89/257124789.db2.gz HYQPQJRLCKCXLG-GOSISDBHSA-N 1 1 318.530 5.299 40 0 DKABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217305 257124918 /nfs/dbraw/zinc/12/49/18/257124918.db2.gz HYQPQJRLCKCXLG-SFHVURJKSA-N 1 1 318.530 5.299 40 0 DKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217306 257125130 /nfs/dbraw/zinc/12/51/30/257125130.db2.gz CCUJLMQVNZBJJO-GOSISDBHSA-N 1 1 318.530 5.443 40 0 DKABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217307 257125166 /nfs/dbraw/zinc/12/51/66/257125166.db2.gz CCUJLMQVNZBJJO-SFHVURJKSA-N 1 1 318.530 5.443 40 0 DKABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217317 257125468 /nfs/dbraw/zinc/12/54/68/257125468.db2.gz GUPPCIXMCNMNHG-QGZVFWFLSA-N 1 1 304.503 5.053 40 0 DKABMO CC[N@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217318 257124722 /nfs/dbraw/zinc/12/47/22/257124722.db2.gz GUPPCIXMCNMNHG-KRWDZBQOSA-N 1 1 304.503 5.053 40 0 DKABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217319 257125658 /nfs/dbraw/zinc/12/56/58/257125658.db2.gz IHQPSTQCIUZAJZ-GOSISDBHSA-N 1 1 318.530 5.443 40 0 DKABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217320 257125093 /nfs/dbraw/zinc/12/50/93/257125093.db2.gz IHQPSTQCIUZAJZ-SFHVURJKSA-N 1 1 318.530 5.443 40 0 DKABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217321 257125524 /nfs/dbraw/zinc/12/55/24/257125524.db2.gz FJLVPUGGEGNFRP-GOSISDBHSA-N 1 1 318.530 5.442 40 0 DKABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217322 257125586 /nfs/dbraw/zinc/12/55/86/257125586.db2.gz FJLVPUGGEGNFRP-SFHVURJKSA-N 1 1 318.530 5.442 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217383 257125203 /nfs/dbraw/zinc/12/52/03/257125203.db2.gz NZWGQXYGXSPSFP-MRXNPFEDSA-N 1 1 306.519 5.155 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217384 257125241 /nfs/dbraw/zinc/12/52/41/257125241.db2.gz NZWGQXYGXSPSFP-INIZCTEOSA-N 1 1 306.519 5.155 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217385 257125215 /nfs/dbraw/zinc/12/52/15/257125215.db2.gz DUUXGMMTTPUOBM-MRXNPFEDSA-N 1 1 306.519 5.299 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217386 257125127 /nfs/dbraw/zinc/12/51/27/257125127.db2.gz DUUXGMMTTPUOBM-INIZCTEOSA-N 1 1 306.519 5.299 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217443 257125551 /nfs/dbraw/zinc/12/55/51/257125551.db2.gz AKIYKOLFTDWJCR-MRXNPFEDSA-N 1 1 306.519 5.155 40 0 DKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217444 257125082 /nfs/dbraw/zinc/12/50/82/257125082.db2.gz AKIYKOLFTDWJCR-INIZCTEOSA-N 1 1 306.519 5.155 40 0 DKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217445 257124976 /nfs/dbraw/zinc/12/49/76/257124976.db2.gz SGELBNWRVCPTMU-MRXNPFEDSA-N 1 1 306.519 5.299 40 0 DKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217446 257125400 /nfs/dbraw/zinc/12/54/00/257125400.db2.gz SGELBNWRVCPTMU-INIZCTEOSA-N 1 1 306.519 5.299 40 0 DKABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217604 257125498 /nfs/dbraw/zinc/12/54/98/257125498.db2.gz MAUGNRJVOFKXEU-GOSISDBHSA-N 1 1 312.482 5.026 40 0 DKABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217605 257124807 /nfs/dbraw/zinc/12/48/07/257124807.db2.gz MAUGNRJVOFKXEU-SFHVURJKSA-N 1 1 312.482 5.026 40 0 DKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217606 257124948 /nfs/dbraw/zinc/12/49/48/257124948.db2.gz QZFFPDMTJWFKET-GOSISDBHSA-N 1 1 312.482 5.170 40 0 DKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217607 257125289 /nfs/dbraw/zinc/12/52/89/257125289.db2.gz QZFFPDMTJWFKET-SFHVURJKSA-N 1 1 312.482 5.170 40 0 DKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217619 257124733 /nfs/dbraw/zinc/12/47/33/257124733.db2.gz VQAPPBLUFDMFON-GOSISDBHSA-N 1 1 312.482 5.170 40 0 DKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217620 257124861 /nfs/dbraw/zinc/12/48/61/257124861.db2.gz VQAPPBLUFDMFON-SFHVURJKSA-N 1 1 312.482 5.170 40 0 DKABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217621 257124897 /nfs/dbraw/zinc/12/48/97/257124897.db2.gz PYINLSHENHCATK-GOSISDBHSA-N 1 1 312.482 5.168 40 0 DKABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217622 257125675 /nfs/dbraw/zinc/12/56/75/257125675.db2.gz PYINLSHENHCATK-SFHVURJKSA-N 1 1 312.482 5.168 40 0 DKABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217664 257125625 /nfs/dbraw/zinc/12/56/25/257125625.db2.gz YAHPKGAABHRABE-GOSISDBHSA-N 1 1 312.482 5.026 40 0 DKABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217665 257125173 /nfs/dbraw/zinc/12/51/73/257125173.db2.gz YAHPKGAABHRABE-SFHVURJKSA-N 1 1 312.482 5.026 40 0 DKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217666 257125272 /nfs/dbraw/zinc/12/52/72/257125272.db2.gz ZXOXUEJNBXEBBG-GOSISDBHSA-N 1 1 312.482 5.170 40 0 DKABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217667 257125268 /nfs/dbraw/zinc/12/52/68/257125268.db2.gz ZXOXUEJNBXEBBG-SFHVURJKSA-N 1 1 312.482 5.170 40 0 DKABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217679 257125248 /nfs/dbraw/zinc/12/52/48/257125248.db2.gz WBSLUBLAMZARFI-GOSISDBHSA-N 1 1 312.482 5.170 40 0 DKABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217680 257125582 /nfs/dbraw/zinc/12/55/82/257125582.db2.gz WBSLUBLAMZARFI-SFHVURJKSA-N 1 1 312.482 5.170 40 0 DKABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217681 257125438 /nfs/dbraw/zinc/12/54/38/257125438.db2.gz OTMFRQKNLNEGHD-GOSISDBHSA-N 1 1 312.482 5.168 40 0 DKABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217682 257125380 /nfs/dbraw/zinc/12/53/80/257125380.db2.gz OTMFRQKNLNEGHD-SFHVURJKSA-N 1 1 312.482 5.168 40 0 DKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000216789174 563852049 /nfs/dbraw/zinc/85/20/49/563852049.db2.gz IOMMUDRVBGGJGC-IYBDPMFKSA-N 1 1 320.436 5.258 40 0 DKABMO C[N@@H+](Cc1ccc2oc(-c3ccccc3)nc2c1)C1CCCCC1 ZINC000216789493 201497941 /nfs/dbraw/zinc/49/79/41/201497941.db2.gz VUZCKARLVAUVQW-UHFFFAOYSA-N 1 1 320.436 5.259 40 0 DKABMO C[C@@H]1CCCC[N@H+]1Cc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000216790051 563852293 /nfs/dbraw/zinc/85/22/93/563852293.db2.gz FNQCDABRGGADAD-CQSZACIVSA-N 1 1 324.399 5.008 40 0 DKABMO C[C@H]1CCCC[N@H+]1Cc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000216790099 563851815 /nfs/dbraw/zinc/85/18/15/563851815.db2.gz FNQCDABRGGADAD-AWEZNQCLSA-N 1 1 324.399 5.008 40 0 DKABMO C[C@@H]1CCCC[N@H+]1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000216841968 563711459 /nfs/dbraw/zinc/71/14/59/563711459.db2.gz FIXRZEALKGTDRL-CQSZACIVSA-N 1 1 324.399 5.008 40 0 DKABMO C[C@H]1CCCC[N@H+]1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000216842003 563711078 /nfs/dbraw/zinc/71/10/78/563711078.db2.gz FIXRZEALKGTDRL-AWEZNQCLSA-N 1 1 324.399 5.008 40 0 DKABMO