smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@]1(O)C[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004992027 181186683 /nfs/dbraw/zinc/18/66/83/181186683.db2.gz WIWFYRAALDRLRH-KVJIRVJXSA-N 1 1 323.480 4.972 40 0 DJABMO O=C(c1ccccc1)[C@H]1C[N@H+](C2CCCCC2)[C@H]1c1ccccc1 ZINC000005045923 181195857 /nfs/dbraw/zinc/19/58/57/181195857.db2.gz ITKHXTZLDBGPSP-SFTDATJTSA-N 1 1 319.448 4.875 40 0 DJABMO CCCCCC[N@H+]1CCC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000005951296 181299853 /nfs/dbraw/zinc/29/98/53/181299853.db2.gz WXGKDINBEFIPNV-SFHVURJKSA-N 1 1 316.489 4.595 40 0 DJABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219184 257124253 /nfs/dbraw/zinc/12/42/53/257124253.db2.gz VZHDDCMISYXPIT-LJQANCHMSA-N 1 1 315.505 4.707 40 0 DJABMO Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072219242 257124399 /nfs/dbraw/zinc/12/43/99/257124399.db2.gz CLKXYWNZMZOTKY-IBGZPJMESA-N 1 1 315.505 4.563 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216725 257124887 /nfs/dbraw/zinc/12/48/87/257124887.db2.gz LMBNNZMVEKFEIJ-IBGZPJMESA-N 1 1 315.505 4.645 40 0 DJABMO CC(C)Sc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217471 257124988 /nfs/dbraw/zinc/12/49/88/257124988.db2.gz WEAUYCUZRXCSCP-GOSISDBHSA-N 1 1 312.482 4.919 40 0 DJABMO CC[C@H](C)Nc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213486 257125847 /nfs/dbraw/zinc/12/58/47/257125847.db2.gz OCNHBINLNOCLPC-QFBILLFUSA-N 1 1 309.457 4.629 40 0 DJABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214021 257126103 /nfs/dbraw/zinc/12/61/03/257126103.db2.gz ZYFMFOKEOBQHKG-GOSISDBHSA-N 1 1 301.478 4.619 40 0 DJABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213947 257126221 /nfs/dbraw/zinc/12/62/21/257126221.db2.gz VNCZLQMHXZBHJV-HXUWFJFHSA-N 1 1 321.468 4.773 40 0 DJABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214202 257126296 /nfs/dbraw/zinc/12/62/96/257126296.db2.gz ODCVFFCHZJPZEO-IBGZPJMESA-N 1 1 309.457 4.642 40 0 DJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214276 257126502 /nfs/dbraw/zinc/12/65/02/257126502.db2.gz LIMMKBSSWKRSIE-LJQANCHMSA-N 1 1 309.457 4.787 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213980 257126722 /nfs/dbraw/zinc/12/67/22/257126722.db2.gz DILGFCLRKDEGFF-GOSISDBHSA-N 1 1 301.478 4.619 40 0 DJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212044 257127271 /nfs/dbraw/zinc/12/72/71/257127271.db2.gz IAIMRUZLPZROGM-FQEVSTJZSA-N 1 1 324.468 4.988 40 0 DJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213021 257127304 /nfs/dbraw/zinc/12/73/04/257127304.db2.gz AGJAHDZGQXUETK-GOSISDBHSA-N 1 1 303.494 4.642 40 0 DJABMO CC[C@@H](C)Nc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072213371 257127333 /nfs/dbraw/zinc/12/73/33/257127333.db2.gz RKAGPTYFLJXVLF-APWZRJJASA-N 1 1 309.457 4.629 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212979 257127361 /nfs/dbraw/zinc/12/73/61/257127361.db2.gz XYIOYIDXAQCUNX-IBGZPJMESA-N 1 1 317.521 4.888 40 0 DJABMO CC(C)Oc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211985 257127622 /nfs/dbraw/zinc/12/76/22/257127622.db2.gz NNQKJCMYHMSVGE-IBGZPJMESA-N 1 1 310.441 4.596 40 0 DJABMO OCCC[C@H]1CCCC[N@H+]1[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001666343 563290066 /nfs/dbraw/zinc/29/00/66/563290066.db2.gz MZJAOMVBIUPVTP-YADHBBJMSA-N 1 1 323.480 4.597 40 0 DJABMO C[C@@H]1CCCC[N@@H+](CCN(Cc2ccccc2)c2ccccc2)C1 ZINC000001673514 563290746 /nfs/dbraw/zinc/29/07/46/563290746.db2.gz MUIDTOFJJQFYBB-HXUWFJFHSA-N 1 1 322.496 4.815 40 0 DJABMO Cc1ccccc1C[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569693 563383487 /nfs/dbraw/zinc/38/34/87/563383487.db2.gz QAYKQPISNAMBGQ-UHFFFAOYSA-N 1 1 308.450 4.654 40 0 DJABMO Cc1ccccc1C[N@@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569693 563383489 /nfs/dbraw/zinc/38/34/89/563383489.db2.gz QAYKQPISNAMBGQ-UHFFFAOYSA-N 1 1 308.450 4.654 40 0 DJABMO C[N@H+]1CCC[C@@H](c2ccccc2)c2[nH]c3ccccc3c2CC1 ZINC000028567782 563432085 /nfs/dbraw/zinc/43/20/85/563432085.db2.gz AEHACZVHKAVVDK-KRWDZBQOSA-N 1 1 304.437 4.568 40 0 DJABMO CC(C)(C)c1cc(-c2c[nH+]c3n2CCC3)cc(C(C)(C)C)c1O ZINC000000099958 563513756 /nfs/dbraw/zinc/51/37/56/563513756.db2.gz XZRPJEPZWGMUGO-UHFFFAOYSA-N 1 1 312.457 4.797 40 0 DJABMO Cc1ccc(Oc2ccccc2OCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000585266219 563537210 /nfs/dbraw/zinc/53/72/10/563537210.db2.gz POYRTBGGUJLQBX-KRWDZBQOSA-N 1 1 311.425 4.650 40 0 DJABMO CC(C)(C)[C@@H]1C[C@]2(C)C(=O)CCCC[C@@H]2[N@H+]1Cc1ccccc1 ZINC000218903590 563717697 /nfs/dbraw/zinc/71/76/97/563717697.db2.gz BJCLLORLDDLFDU-WFXMLNOXSA-N 1 1 313.485 4.825 40 0 biogenic DJABMO c1nc([C@@H]2CCC[N@H+]2Cc2ccccc2)oc1Cc1ccccc1 ZINC000257251028 563792792 /nfs/dbraw/zinc/79/27/92/563792792.db2.gz JPCCDBWLTPDCJP-FQEVSTJZSA-N 1 1 318.420 4.603 40 0 DJABMO c1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2)oc1Cc1ccccc1 ZINC000257251028 563792795 /nfs/dbraw/zinc/79/27/95/563792795.db2.gz JPCCDBWLTPDCJP-FQEVSTJZSA-N 1 1 318.420 4.603 40 0 DJABMO c1csc(-c2ccc3c([C@H]4CCC[N@@H+]4C4CCC4)ncn3c2)c1 ZINC000306125222 231083306 /nfs/dbraw/zinc/08/33/06/231083306.db2.gz CJUJYXZRUANZSQ-QGZVFWFLSA-N 1 1 323.465 4.752 40 0 DJABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NCCC(C)C)cc1 ZINC000000417141 180782472 /nfs/dbraw/zinc/78/24/72/180782472.db2.gz ABRIQDFOCJUIQY-UHFFFAOYSA-N 1 1 323.440 4.776 40 0 DJABMO C[C@H]1CCCC[N@@H+](CCN(Cc2ccccc2)c2ccccc2)C1 ZINC000004522855 181119452 /nfs/dbraw/zinc/11/94/52/181119452.db2.gz MUIDTOFJJQFYBB-FQEVSTJZSA-N 1 1 322.496 4.815 40 0 DJABMO CC(C)(C)C1=C[C@@H](c2ccccc2)[C@H]2CCCC[C@]23OCC[N@@H+]13 ZINC000004769678 181149609 /nfs/dbraw/zinc/14/96/09/181149609.db2.gz PKMKJGOXZVPWQD-UEXGIBASSA-N 1 1 311.469 4.933 40 0 DJABMO C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)C1 ZINC000057762044 184051779 /nfs/dbraw/zinc/05/17/79/184051779.db2.gz FQSIKOKBKCRFEU-AWEZNQCLSA-N 1 1 323.415 4.601 40 0 DJABMO CCCCNc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213647 257126477 /nfs/dbraw/zinc/12/64/77/257126477.db2.gz QBSKGCLHJAMVKO-IBGZPJMESA-N 1 1 309.457 4.631 40 0 DJABMO CCN(CC)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212863 257127170 /nfs/dbraw/zinc/12/71/70/257127170.db2.gz IZXIHGLBKWNPSF-HXUWFJFHSA-N 1 1 323.484 4.655 40 0 DJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213035 257127308 /nfs/dbraw/zinc/12/73/08/257127308.db2.gz HPELRZRXBXXSBP-SFHVURJKSA-N 1 1 303.494 4.642 40 0 DJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212961 257127477 /nfs/dbraw/zinc/12/74/77/257127477.db2.gz TZNLNBFQQGEYML-GOSISDBHSA-N 1 1 303.494 4.642 40 0 DJABMO Cc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCC2)cc1 ZINC000000412111 563608289 /nfs/dbraw/zinc/60/82/89/563608289.db2.gz COCCCFYFUPVGSK-UHFFFAOYSA-N 1 1 305.425 4.973 40 0 DJABMO Cc1ccc(N(CC(=O)c2ccccc2)C2=[NH+]CCCCC2)cc1 ZINC000008411762 563722421 /nfs/dbraw/zinc/72/24/21/563722421.db2.gz JUPBNVZSNFQKIG-UHFFFAOYSA-N 1 1 320.436 4.657 40 0 DJABMO C[C@@H]1CCCC[N@H+]1Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000216789020 563852019 /nfs/dbraw/zinc/85/20/19/563852019.db2.gz GCSSQWKQHGWEIV-OAHLLOKOSA-N 1 1 306.409 4.869 40 0 DJABMO Cc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000072358316 191130630 /nfs/dbraw/zinc/13/06/30/191130630.db2.gz DGWKJYJVCUIECA-GOSISDBHSA-N 1 1 321.468 4.574 40 0 DJABMO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000004416936 181107854 /nfs/dbraw/zinc/10/78/54/181107854.db2.gz VNDDEBGUROKITD-BEFAXECRSA-N 1 1 317.860 4.674 40 0 DJABMO Cc1ccc([C@H](OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc2)cc1 ZINC000004429664 181109306 /nfs/dbraw/zinc/10/93/06/181109306.db2.gz UHZGETFOMOYETC-IUPYZPJSSA-N 1 1 321.464 4.726 40 0 DJABMO Cc1cc([C@H]2CCCCC[N@H+]2Cc2ccnc3ccccc23)on1 ZINC000019120335 182105333 /nfs/dbraw/zinc/10/53/33/182105333.db2.gz PAIQRBOMDQRQJE-LJQANCHMSA-N 1 1 321.424 4.649 40 0 DJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219304 257124043 /nfs/dbraw/zinc/12/40/43/257124043.db2.gz NRWDCJDRFTYQBX-LJQANCHMSA-N 1 1 315.505 4.707 40 0 DJABMO Cc1cc([C@@H]2CCCC[N@@H+]2CC(C)C)cnc1N1CCCCC1 ZINC000072219182 257124322 /nfs/dbraw/zinc/12/43/22/257124322.db2.gz ZEOFKUFMWKMMLC-IBGZPJMESA-N 1 1 315.505 4.563 40 0 DJABMO CCCC[N@H+]1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219244 257124491 /nfs/dbraw/zinc/12/44/91/257124491.db2.gz AXJHMAVARXGMCS-LJQANCHMSA-N 1 1 315.505 4.707 40 0 DJABMO CCCCNc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213648 257126062 /nfs/dbraw/zinc/12/60/62/257126062.db2.gz QBSKGCLHJAMVKO-LJQANCHMSA-N 1 1 309.457 4.631 40 0 DJABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214278 257126529 /nfs/dbraw/zinc/12/65/29/257126529.db2.gz OPQVQKCEWMQBBU-LJQANCHMSA-N 1 1 309.457 4.785 40 0 DJABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213865 257126622 /nfs/dbraw/zinc/12/66/22/257126622.db2.gz WZQOYIJZSBKROL-FQEVSTJZSA-N 1 1 321.468 4.773 40 0 DJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212962 257126999 /nfs/dbraw/zinc/12/69/99/257126999.db2.gz TZNLNBFQQGEYML-SFHVURJKSA-N 1 1 303.494 4.642 40 0 DJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212024 257127321 /nfs/dbraw/zinc/12/73/21/257127321.db2.gz HIDFCUVOYVXBHY-LJQANCHMSA-N 1 1 310.441 4.598 40 0 DJABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212040 257127596 /nfs/dbraw/zinc/12/75/96/257127596.db2.gz IMLQVXMELQTFGT-IBGZPJMESA-N 1 1 310.441 4.596 40 0 DJABMO CCOC(=O)c1cccc(Nc2cc[nH+]c3c(C)ccc(F)c23)c1 ZINC000064874844 257128425 /nfs/dbraw/zinc/12/84/25/257128425.db2.gz RAZKNKXVNNAUJG-UHFFFAOYSA-N 1 1 324.355 4.603 40 0 DJABMO CCOc1ccc(Cl)cc1C[NH2+]Cc1ccccc1Cl ZINC000008324589 563346157 /nfs/dbraw/zinc/34/61/57/563346157.db2.gz MFMGXYVYLYTAMW-UHFFFAOYSA-N 1 1 310.224 4.682 40 0 DJABMO CCC(C)(C)Nc1c(-c2ccc(OC)cc2)[nH+]c2ccccn21 ZINC000000413659 563609024 /nfs/dbraw/zinc/60/90/24/563609024.db2.gz DSKYMZRPVNAORQ-UHFFFAOYSA-N 1 1 309.413 4.610 40 0 DJABMO CCC[N@@H+]1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250067 563913353 /nfs/dbraw/zinc/91/33/53/563913353.db2.gz FICMSNKNADJVFH-UHFFFAOYSA-N 1 1 318.420 4.994 40 0 DJABMO C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072348564 191127721 /nfs/dbraw/zinc/12/77/21/191127721.db2.gz QMZFULKHSQHCKF-CQSZACIVSA-N 1 1 320.358 4.577 40 0 DJABMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1Cc1ccccc1 ZINC000004411297 181107412 /nfs/dbraw/zinc/10/74/12/181107412.db2.gz DTDSPIAJPFKPGJ-GOSISDBHSA-N 1 1 309.453 4.531 40 0 DJABMO CC(C)(C)C1=C[C@@H](c2ccccc2)[C@@H]2CCCC[C@]23OCC[N@@H+]13 ZINC000004769676 181149674 /nfs/dbraw/zinc/14/96/74/181149674.db2.gz PKMKJGOXZVPWQD-WFXMLNOXSA-N 1 1 311.469 4.933 40 0 DJABMO Cc1cc(N2CCCCC2)ncc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072219243 257123946 /nfs/dbraw/zinc/12/39/46/257123946.db2.gz CLKXYWNZMZOTKY-LJQANCHMSA-N 1 1 315.505 4.563 40 0 DJABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C ZINC000072219245 257124284 /nfs/dbraw/zinc/12/42/84/257124284.db2.gz AXJHMAVARXGMCS-IBGZPJMESA-N 1 1 315.505 4.707 40 0 DJABMO CC(C)Sc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072217530 257124892 /nfs/dbraw/zinc/12/48/92/257124892.db2.gz HIGPNYLXXJDMCG-SFHVURJKSA-N 1 1 312.482 4.919 40 0 DJABMO CCSc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217147 257125226 /nfs/dbraw/zinc/12/52/26/257125226.db2.gz IIEQWPMJAPQYMH-SFHVURJKSA-N 1 1 312.482 4.921 40 0 DJABMO Cc1nc(Cl)ccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217926 257125533 /nfs/dbraw/zinc/12/55/33/257125533.db2.gz JMHUGKSATSXNFM-KRWDZBQOSA-N 1 1 300.833 4.771 40 0 DJABMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)cnc1Cl ZINC000072217807 257125615 /nfs/dbraw/zinc/12/56/15/257125615.db2.gz KUWDOMMOMFXWNH-QGZVFWFLSA-N 1 1 300.833 4.771 40 0 DJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213982 257126132 /nfs/dbraw/zinc/12/61/32/257126132.db2.gz KYXGEVGOZYMPOR-GOSISDBHSA-N 1 1 301.478 4.763 40 0 DJABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214261 257126433 /nfs/dbraw/zinc/12/64/33/257126433.db2.gz AGGXGJTVCZBURR-LJQANCHMSA-N 1 1 309.457 4.642 40 0 DJABMO CCOC(=O)c1ccc(Nc2cc[nH+]c3c(CC)cccc23)cc1 ZINC000064874800 257129037 /nfs/dbraw/zinc/12/90/37/257129037.db2.gz OWUAJFPJIUQRMW-UHFFFAOYSA-N 1 1 320.392 4.718 40 0 DJABMO C[N@@H+](CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000001724567 563293937 /nfs/dbraw/zinc/29/39/37/563293937.db2.gz IKUSCBOQDLHKRC-UHFFFAOYSA-N 1 1 303.405 4.545 40 0 DJABMO CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000031628041 563440631 /nfs/dbraw/zinc/44/06/31/563440631.db2.gz ZIIWILKHOWBKRY-QGZVFWFLSA-N 1 1 324.251 4.549 40 0 DJABMO Cc1cccc([C@@H]2[NH2+][C@@H](c3cccc(C)c3)[C@@H](C)C(=O)[C@@H]2C)c1 ZINC000055487218 563475552 /nfs/dbraw/zinc/47/55/52/563475552.db2.gz AHESAKCLGLIIOI-XNFNUYLZSA-N 1 1 307.437 4.530 40 0 DJABMO Fc1ccc(NC2[C@@H]3CCC[C@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000057773352 563721188 /nfs/dbraw/zinc/72/11/88/563721188.db2.gz XDQSNTYKBQQDSI-HTZLVSCSSA-N 1 1 324.443 4.538 40 0 DJABMO Cc1ccccc1N(CC(=O)c1ccccc1)C1=[NH+]CCCCC1 ZINC000008415763 563722292 /nfs/dbraw/zinc/72/22/92/563722292.db2.gz HDVMWSMTPRAOHN-UHFFFAOYSA-N 1 1 320.436 4.657 40 0 DJABMO Fc1ccc(C[N@@H+]2CC=C(c3nc4ccccc4s3)CC2)cc1 ZINC000216784642 563851981 /nfs/dbraw/zinc/85/19/81/563851981.db2.gz MAPJBFMSGPITLP-UHFFFAOYSA-N 1 1 324.424 4.725 40 0 DJABMO c1csc(-c2ccc3c([C@@H]4CCC[N@@H+]4C4CCC4)ncn3c2)c1 ZINC000306125221 231084420 /nfs/dbraw/zinc/08/44/20/231084420.db2.gz CJUJYXZRUANZSQ-KRWDZBQOSA-N 1 1 323.465 4.752 40 0 DJABMO OCCC[C@H]1CCCC[N@H+]1[C@H](Cc1ccccc1)c1ccccc1 ZINC000004777650 181151103 /nfs/dbraw/zinc/15/11/03/181151103.db2.gz MZJAOMVBIUPVTP-FGZHOGPDSA-N 1 1 323.480 4.597 40 0 DJABMO Clc1ccc(C[NH2+]Cc2ccccc2Cl)c(Cl)c1 ZINC000016449750 182045218 /nfs/dbraw/zinc/04/52/18/182045218.db2.gz OUIKPUAPYHYCLX-UHFFFAOYSA-N 1 1 300.616 4.937 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216724 257125219 /nfs/dbraw/zinc/12/52/19/257125219.db2.gz LMBNNZMVEKFEIJ-LJQANCHMSA-N 1 1 315.505 4.645 40 0 DJABMO CCSc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217148 257125229 /nfs/dbraw/zinc/12/52/29/257125229.db2.gz IIEQWPMJAPQYMH-GOSISDBHSA-N 1 1 312.482 4.921 40 0 DJABMO Cc1cc(Cl)ncc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217866 257125375 /nfs/dbraw/zinc/12/53/75/257125375.db2.gz YCMRDAODIFXEIV-KRWDZBQOSA-N 1 1 300.833 4.771 40 0 DJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214023 257125851 /nfs/dbraw/zinc/12/58/51/257125851.db2.gz DZCHERDJVHWBPM-GOSISDBHSA-N 1 1 301.478 4.763 40 0 DJABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213924 257126576 /nfs/dbraw/zinc/12/65/76/257126576.db2.gz GBMXVOBFANBLLC-HXUWFJFHSA-N 1 1 321.468 4.773 40 0 DJABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212100 257127207 /nfs/dbraw/zinc/12/72/07/257127207.db2.gz MIXQLRAQWCDJJG-IBGZPJMESA-N 1 1 310.441 4.596 40 0 DJABMO CCCNc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213161 257127295 /nfs/dbraw/zinc/12/72/95/257127295.db2.gz PIKDSEKFDGLOJQ-LJQANCHMSA-N 1 1 309.457 4.631 40 0 DJABMO CC[C@@H](C)Nc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213485 257127452 /nfs/dbraw/zinc/12/74/52/257127452.db2.gz OCNHBINLNOCLPC-VQIMIIECSA-N 1 1 309.457 4.629 40 0 DJABMO Cc1ccc(Oc2ccccc2OC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000585266212 563537097 /nfs/dbraw/zinc/53/70/97/563537097.db2.gz OEVWRWVZZXLKCF-KRWDZBQOSA-N 1 1 311.425 4.508 40 0 DJABMO Cc1cccc([C@H]2[NH2+][C@H](c3cccc(C)c3)[C@H](C)C(=O)[C@H]2C)c1 ZINC000101790418 563558221 /nfs/dbraw/zinc/55/82/21/563558221.db2.gz AHESAKCLGLIIOI-FVCZOJIISA-N 1 1 307.437 4.530 40 0 DJABMO C[N@@H+]1CC=C(/C=C/c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000005002429 563623662 /nfs/dbraw/zinc/62/36/62/563623662.db2.gz BCEFSJNCRSCTJL-VOTSOKGWSA-N 1 1 322.433 4.831 40 0 DJABMO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000004416937 181108282 /nfs/dbraw/zinc/10/82/82/181108282.db2.gz VNDDEBGUROKITD-KXBFYZLASA-N 1 1 317.860 4.674 40 0 DJABMO c1cnc2c(c1)cccc2SC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005997866 181304479 /nfs/dbraw/zinc/30/44/79/181304479.db2.gz AGHBXQNGLDCAHT-IAGOWNOFSA-N 1 1 312.482 4.591 40 0 DJABMO C[C@@H]1CCCC[N@H+]1Cc1c2cccnc2[nH]c1-c1ccc(F)cc1 ZINC000057762037 184051808 /nfs/dbraw/zinc/05/18/08/184051808.db2.gz GUNGJOJOANYFKY-CQSZACIVSA-N 1 1 323.415 4.743 40 0 DJABMO CCCNc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213160 257126799 /nfs/dbraw/zinc/12/67/99/257126799.db2.gz PIKDSEKFDGLOJQ-IBGZPJMESA-N 1 1 309.457 4.631 40 0 DJABMO CC[C@H](C)Nc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072213374 257127138 /nfs/dbraw/zinc/12/71/38/257127138.db2.gz RKAGPTYFLJXVLF-QFBILLFUSA-N 1 1 309.457 4.629 40 0 DJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212037 257127166 /nfs/dbraw/zinc/12/71/66/257127166.db2.gz NMYJANSPRDCGBI-LJQANCHMSA-N 1 1 310.441 4.598 40 0 DJABMO CCCNc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213221 257127197 /nfs/dbraw/zinc/12/71/97/257127197.db2.gz GONIVZZSSPJESB-LJQANCHMSA-N 1 1 309.457 4.631 40 0 DJABMO Cc1ccccc1C[N@H+]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168962 560084903 /nfs/dbraw/zinc/08/49/03/560084903.db2.gz NTBHEDGZKUETJY-INIZCTEOSA-N 1 1 308.450 4.594 40 0 biogenic,in-vitro DJABMO CCN(CC)C1=[NH+]c2ccccc2N(c2ccccc2)C(=S)C1 ZINC000001582803 563286316 /nfs/dbraw/zinc/28/63/16/563286316.db2.gz NLUOYPTZJQQODV-UHFFFAOYSA-N 1 1 323.465 4.928 40 0 DJABMO Cc1ccccc1[C@H]1[NH2+][C@H](c2ccccc2C)[C@H](C)C(=O)[C@H]1C ZINC000101996840 563558659 /nfs/dbraw/zinc/55/86/59/563558659.db2.gz GZFSBHPTKSDFKX-FVCZOJIISA-N 1 1 307.437 4.530 40 0 DJABMO COc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1 ZINC000000412100 563608026 /nfs/dbraw/zinc/60/80/26/563608026.db2.gz LXOYHIWGZSTGHR-UHFFFAOYSA-N 1 1 321.424 4.755 40 0 DJABMO Cc1ccc2[nH+]c(-c3ccccc3O)c(NC3CCCCC3)n2c1 ZINC000000412101 563608199 /nfs/dbraw/zinc/60/81/99/563608199.db2.gz XHXUSKGTMYPQMC-UHFFFAOYSA-N 1 1 321.424 4.760 40 0 DJABMO Cc1cccc([C@H]2[NH2+][C@H](c3cccc(C)c3)[C@H](C)C(=O)[C@@H]2C)c1 ZINC000101790422 563634502 /nfs/dbraw/zinc/63/45/02/563634502.db2.gz AHESAKCLGLIIOI-JSJNYSNDSA-N 1 1 307.437 4.530 40 0 DJABMO C[C@H]1CCC[N@@H+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000216841812 563711195 /nfs/dbraw/zinc/71/11/95/563711195.db2.gz VGNBQMXWMPHVHR-AWEZNQCLSA-N 1 1 324.399 4.866 40 0 DJABMO CC(C)(C)c1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069876859 563929168 /nfs/dbraw/zinc/92/91/68/563929168.db2.gz XBPMANZGYGNVOF-UHFFFAOYSA-N 1 1 300.471 4.608 40 0 DJABMO CC[N@@H+]1[C@@H](c2ccccc2)[C@@H](C)C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000095481285 185373930 /nfs/dbraw/zinc/37/39/30/185373930.db2.gz SFCJAXKHIYXCGG-WOUAJJJCSA-N 1 1 307.437 4.646 40 0 DJABMO C[N@H+]1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072348563 191127513 /nfs/dbraw/zinc/12/75/13/191127513.db2.gz QMZFULKHSQHCKF-AWEZNQCLSA-N 1 1 320.358 4.577 40 0 DJABMO CCC[C@]1(O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004992028 181186577 /nfs/dbraw/zinc/18/65/77/181186577.db2.gz WIWFYRAALDRLRH-MQGJPIDWSA-N 1 1 323.480 4.972 40 0 DJABMO CCC[C@H]1[C@@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000005643205 181267135 /nfs/dbraw/zinc/26/71/35/181267135.db2.gz WYTPYNYFQAORGV-JSXRDJHFSA-N 1 1 309.453 4.582 40 0 DJABMO FC(F)(F)c1cccc(-c2ccc(C[NH2+]Cc3ccco3)o2)c1 ZINC000020158579 182194107 /nfs/dbraw/zinc/19/41/07/182194107.db2.gz BWVGHOPKQSAHTH-UHFFFAOYSA-N 1 1 321.298 4.848 40 0 DJABMO Cc1nc(N2CCCCC2)ccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072219303 257124161 /nfs/dbraw/zinc/12/41/61/257124161.db2.gz NUTJHFOKJSZAFK-LJQANCHMSA-N 1 1 315.505 4.563 40 0 DJABMO CCCC[N@H+]1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 ZINC000072219185 257124401 /nfs/dbraw/zinc/12/44/01/257124401.db2.gz VZHDDCMISYXPIT-IBGZPJMESA-N 1 1 315.505 4.707 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216664 257125266 /nfs/dbraw/zinc/12/52/66/257125266.db2.gz XOZODFXDCHKHGJ-LJQANCHMSA-N 1 1 315.505 4.645 40 0 DJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212084 257127043 /nfs/dbraw/zinc/12/70/43/257127043.db2.gz HPJUUFNRFNDGMV-LJQANCHMSA-N 1 1 310.441 4.598 40 0 DJABMO CC(C)N(c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1)C(C)C ZINC000072212976 257127194 /nfs/dbraw/zinc/12/71/94/257127194.db2.gz UBVJPDBCBUIOPP-GOSISDBHSA-N 1 1 303.494 4.640 40 0 DJABMO O=C(c1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000095934590 563531245 /nfs/dbraw/zinc/53/12/45/563531245.db2.gz BAZZAEQKTWWCBH-SFHVURJKSA-N 1 1 313.828 4.750 40 0 DJABMO Cc1ccc(Oc2ccccc2OC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000585266215 563537386 /nfs/dbraw/zinc/53/73/86/563537386.db2.gz OEVWRWVZZXLKCF-QGZVFWFLSA-N 1 1 311.425 4.508 40 0 DJABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NC(C)(C)C)cc1 ZINC000000320154 563607565 /nfs/dbraw/zinc/60/75/65/563607565.db2.gz OXWRDASDUTUUOS-UHFFFAOYSA-N 1 1 309.413 4.529 40 0 DJABMO Cc1ccc2[nH+]c(-c3ccc(F)cc3)c(NC3CCCC3)n2c1 ZINC000000412110 563608427 /nfs/dbraw/zinc/60/84/27/563608427.db2.gz YDBWFCZQHHDGSO-UHFFFAOYSA-N 1 1 309.388 4.803 40 0 DJABMO CC[C@H]1C(=O)[C@H](CC)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000012563521 563653005 /nfs/dbraw/zinc/65/30/05/563653005.db2.gz UWLZKFVZABBKHL-WTGUMLROSA-N 1 1 307.437 4.694 40 0 DJABMO Cc1ccc2oc([C@H]3CC[N@@H+](CCCc4ccccc4)C3)nc2c1 ZINC000035446488 563867076 /nfs/dbraw/zinc/86/70/76/563867076.db2.gz SCQZPEUHEJUHDQ-SFHVURJKSA-N 1 1 320.436 4.558 40 0 biogenic,in-vitro DJABMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC000004203942 181084615 /nfs/dbraw/zinc/08/46/15/181084615.db2.gz OAYPLJXZSDIZBJ-UHFFFAOYSA-N 1 1 302.421 4.766 40 0 DJABMO CCC[C@@]1(O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C ZINC000004992029 181186436 /nfs/dbraw/zinc/18/64/36/181186436.db2.gz WIWFYRAALDRLRH-AGOPTVSRSA-N 1 1 323.480 4.972 40 0 DJABMO Cc1ccc(C(=O)CN(c2ccccc2C)C2=[NH+]CCCC2)cc1 ZINC000008411457 181555659 /nfs/dbraw/zinc/55/56/59/181555659.db2.gz AYQHGEVWAJCBPA-UHFFFAOYSA-N 1 1 320.436 4.575 40 0 DJABMO Clc1ccccc1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000016449771 182044977 /nfs/dbraw/zinc/04/49/77/182044977.db2.gz KVEIDWBMRPCMIL-UHFFFAOYSA-N 1 1 300.616 4.937 40 0 DJABMO C[C@H]1CCCC[N@H+]1Cc1c2cccnc2[nH]c1-c1ccc(F)cc1 ZINC000057762039 184051753 /nfs/dbraw/zinc/05/17/53/184051753.db2.gz GUNGJOJOANYFKY-AWEZNQCLSA-N 1 1 323.415 4.743 40 0 DJABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc3ncccc3c2)cc1 ZINC000072221814 257124143 /nfs/dbraw/zinc/12/41/43/257124143.db2.gz HZRPFEXDVGSBOX-NRFANRHFSA-N 1 1 302.421 4.962 40 0 DJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C ZINC000072219305 257124181 /nfs/dbraw/zinc/12/41/81/257124181.db2.gz NRWDCJDRFTYQBX-IBGZPJMESA-N 1 1 315.505 4.707 40 0 DJABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216727 257125150 /nfs/dbraw/zinc/12/51/50/257125150.db2.gz PYSHRBXSHUHSMA-IBGZPJMESA-N 1 1 315.505 4.789 40 0 DJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216666 257125409 /nfs/dbraw/zinc/12/54/09/257125409.db2.gz WRFLYGVXIWRCJD-LJQANCHMSA-N 1 1 315.505 4.789 40 0 DJABMO Cc1cc(Cl)ncc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217867 257125444 /nfs/dbraw/zinc/12/54/44/257125444.db2.gz YCMRDAODIFXEIV-QGZVFWFLSA-N 1 1 300.833 4.771 40 0 DJABMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cnc1Cl ZINC000072217806 257125540 /nfs/dbraw/zinc/12/55/40/257125540.db2.gz KUWDOMMOMFXWNH-KRWDZBQOSA-N 1 1 300.833 4.771 40 0 DJABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214218 257125833 /nfs/dbraw/zinc/12/58/33/257125833.db2.gz XOGPZDBOIHZAGC-LJQANCHMSA-N 1 1 309.457 4.785 40 0 DJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214204 257125967 /nfs/dbraw/zinc/12/59/67/257125967.db2.gz SPLFPSQYVNDFNR-IBGZPJMESA-N 1 1 309.457 4.787 40 0 DJABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213948 257126127 /nfs/dbraw/zinc/12/61/27/257126127.db2.gz VNCZLQMHXZBHJV-FQEVSTJZSA-N 1 1 321.468 4.773 40 0 DJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214036 257126152 /nfs/dbraw/zinc/12/61/52/257126152.db2.gz SXXGACPQVOKZAY-GOSISDBHSA-N 1 1 301.478 4.763 40 0 DJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214264 257126389 /nfs/dbraw/zinc/12/63/89/257126389.db2.gz JQRXQJAUCYYRMI-IBGZPJMESA-N 1 1 309.457 4.787 40 0 DJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212974 257126835 /nfs/dbraw/zinc/12/68/35/257126835.db2.gz XGNDEQDBUGGSQS-GOSISDBHSA-N 1 1 303.494 4.642 40 0 DJABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212975 257126850 /nfs/dbraw/zinc/12/68/50/257126850.db2.gz XGNDEQDBUGGSQS-SFHVURJKSA-N 1 1 303.494 4.642 40 0 DJABMO CC[C@@H](C)Nc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072213373 257126988 /nfs/dbraw/zinc/12/69/88/257126988.db2.gz RKAGPTYFLJXVLF-VQIMIIECSA-N 1 1 309.457 4.629 40 0 DJABMO CC(C)N(c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1)C(C)C ZINC000072212977 257127175 /nfs/dbraw/zinc/12/71/75/257127175.db2.gz UBVJPDBCBUIOPP-SFHVURJKSA-N 1 1 303.494 4.640 40 0 DJABMO CC[C@H](C)Nc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213484 257127248 /nfs/dbraw/zinc/12/72/48/257127248.db2.gz OCNHBINLNOCLPC-LPHOPBHVSA-N 1 1 309.457 4.629 40 0 DJABMO c1ccc(CCC[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000049168935 560084920 /nfs/dbraw/zinc/08/49/20/560084920.db2.gz XGSGLBPMRJQEEF-KRWDZBQOSA-N 1 1 322.477 4.718 40 0 biogenic,in-vitro DJABMO C[N@@H+](CCC(=O)c1cccc2ccccc21)Cc1ccccc1 ZINC000001724566 563293964 /nfs/dbraw/zinc/29/39/64/563293964.db2.gz WXQVVIROGYHAPA-UHFFFAOYSA-N 1 1 303.405 4.545 40 0 DJABMO Cc1ccc(C(=O)CN(c2cccc(C)c2)C2=[NH+]CCCC2)cc1 ZINC000008411432 563722308 /nfs/dbraw/zinc/72/23/08/563722308.db2.gz GZDVXIOZZQWGMQ-UHFFFAOYSA-N 1 1 320.436 4.575 40 0 DJABMO Cc1ccc(C(=O)CN(c2ccc(C)cc2)C2=[NH+]CCCC2)cc1 ZINC000008411376 563722480 /nfs/dbraw/zinc/72/24/80/563722480.db2.gz AMLDVMSUUPPRIJ-UHFFFAOYSA-N 1 1 320.436 4.575 40 0 DJABMO CC(C)[N@H+]1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257229285 563790684 /nfs/dbraw/zinc/79/06/84/563790684.db2.gz FXMNHDMCNNCXCZ-HNNXBMFYSA-N 1 1 318.848 4.507 40 0 DJABMO C[C@H]1CCC[N@@H+](Cc2ccc3oc(-c4ccccc4)nc3c2)C1 ZINC000216788803 563851823 /nfs/dbraw/zinc/85/18/23/563851823.db2.gz AAABQVYIKJVFDH-HNNXBMFYSA-N 1 1 306.409 4.727 40 0 DJABMO CCC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000006311356 181328657 /nfs/dbraw/zinc/32/86/57/181328657.db2.gz WYTPYNYFQAORGV-MXEMCNAFSA-N 1 1 309.453 4.582 40 0 DJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213983 257126400 /nfs/dbraw/zinc/12/64/00/257126400.db2.gz KYXGEVGOZYMPOR-SFHVURJKSA-N 1 1 301.478 4.763 40 0 DJABMO CCCCNc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072213587 257126429 /nfs/dbraw/zinc/12/64/29/257126429.db2.gz PGBTZSCIOQQIMK-IBGZPJMESA-N 1 1 309.457 4.631 40 0 DJABMO CC(C)CNc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213280 257126485 /nfs/dbraw/zinc/12/64/85/257126485.db2.gz PFFJHTDXPHGYJD-FQEVSTJZSA-N 1 1 323.484 4.877 40 0 DJABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214038 257126650 /nfs/dbraw/zinc/12/66/50/257126650.db2.gz ZFSGQXISUNWJMY-GOSISDBHSA-N 1 1 301.478 4.762 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213038 257127179 /nfs/dbraw/zinc/12/71/79/257127179.db2.gz YPQKJODGFRVRMD-LJQANCHMSA-N 1 1 317.521 4.888 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212042 257127218 /nfs/dbraw/zinc/12/72/18/257127218.db2.gz BDVWXZQRPUYUMR-FQEVSTJZSA-N 1 1 324.468 4.844 40 0 DJABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212043 257127280 /nfs/dbraw/zinc/12/72/80/257127280.db2.gz IAIMRUZLPZROGM-HXUWFJFHSA-N 1 1 324.468 4.988 40 0 DJABMO Fc1ccc(Nc2[nH+]c3ccccc3n2Cc2ccccc2)cc1 ZINC000000513376 257211509 /nfs/dbraw/zinc/21/15/09/257211509.db2.gz CLIYWIHAGCENAC-UHFFFAOYSA-N 1 1 317.367 4.967 40 0 DJABMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1Cc1ccccc1 ZINC000001586339 563286230 /nfs/dbraw/zinc/28/62/30/563286230.db2.gz DTDSPIAJPFKPGJ-SFHVURJKSA-N 1 1 309.453 4.531 40 0 DJABMO CC[N@H+]1CCC[C@@H](N2c3ccccc3Sc3ccccc32)C1 ZINC000001673169 563290762 /nfs/dbraw/zinc/29/07/62/563290762.db2.gz IOIRMOPBZLQITN-OAHLLOKOSA-N 1 1 310.466 4.774 40 0 DJABMO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cccc(Cl)c21 ZINC000002042687 563298445 /nfs/dbraw/zinc/29/84/45/563298445.db2.gz CHDBGFBFAXJWRC-CQSZACIVSA-N 1 1 319.880 4.811 40 0 DJABMO Cc1ccc2[nH+]c(-c3ccc(N(C)C)cc3)c(NC(C)(C)C)n2c1 ZINC000000412136 563608360 /nfs/dbraw/zinc/60/83/60/563608360.db2.gz ONKXLTFEVOQWKJ-UHFFFAOYSA-N 1 1 322.456 4.586 40 0 DJABMO Clc1ccc2[nH+]c(-c3ccccc3)c(NCc3ccco3)n2c1 ZINC000000413723 563608693 /nfs/dbraw/zinc/60/86/93/563608693.db2.gz PCQUHOSNIBSGLP-UHFFFAOYSA-N 1 1 323.783 4.860 40 0 DJABMO CCC(C)(C)Nc1c(-c2ccccc2O)[nH+]c2c(C)cccn12 ZINC000000413685 563608862 /nfs/dbraw/zinc/60/88/62/563608862.db2.gz DELZHLHTJYCMPF-UHFFFAOYSA-N 1 1 309.413 4.616 40 0 DJABMO CCC(C)(C)Nc1c(-c2ccc(O)cc2)[nH+]c2cc(C)ccn21 ZINC000000413700 563608922 /nfs/dbraw/zinc/60/89/22/563608922.db2.gz QDDDNCRYWZFDCU-UHFFFAOYSA-N 1 1 309.413 4.616 40 0 DJABMO CCc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)cc1 ZINC000013569081 563660271 /nfs/dbraw/zinc/66/02/71/563660271.db2.gz NVBINWOPFPZZED-UHFFFAOYSA-N 1 1 322.477 4.908 40 0 DJABMO CCc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cc1 ZINC000013569081 563660272 /nfs/dbraw/zinc/66/02/72/563660272.db2.gz NVBINWOPFPZZED-UHFFFAOYSA-N 1 1 322.477 4.908 40 0 DJABMO C[C@@H]1CCC[N@@H+](Cc2ccc3oc(-c4ccccc4)nc3c2)C1 ZINC000216788758 563851898 /nfs/dbraw/zinc/85/18/98/563851898.db2.gz AAABQVYIKJVFDH-OAHLLOKOSA-N 1 1 306.409 4.727 40 0 DJABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006870043 563897458 /nfs/dbraw/zinc/89/74/58/563897458.db2.gz QTXHAPVQHRJICM-UHFFFAOYSA-N 1 1 314.392 4.519 40 0 DJABMO Cc1ccc(C[N@@H+]2CC=C(c3nc4ccccc4s3)CC2)cc1 ZINC000226251173 563913387 /nfs/dbraw/zinc/91/33/87/563913387.db2.gz QGQAPECIDOCHGA-UHFFFAOYSA-N 1 1 320.461 4.894 40 0 DJABMO Cc1ccc([C@@H]2[NH2+][C@@H](c3ccc(C)cc3)[C@H](C)C(=O)[C@@H]2C)cc1 ZINC000095481294 185373991 /nfs/dbraw/zinc/37/39/91/185373991.db2.gz ORKDRKWSOGIHNW-WOUAJJJCSA-N 1 1 307.437 4.530 40 0 DJABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216667 257125034 /nfs/dbraw/zinc/12/50/34/257125034.db2.gz WRFLYGVXIWRCJD-IBGZPJMESA-N 1 1 315.505 4.789 40 0 DJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213022 257126938 /nfs/dbraw/zinc/12/69/38/257126938.db2.gz AGJAHDZGQXUETK-SFHVURJKSA-N 1 1 303.494 4.642 40 0 DJABMO CCN(CC)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212923 257127011 /nfs/dbraw/zinc/12/70/11/257127011.db2.gz CFJDNAUPRDGPAK-HXUWFJFHSA-N 1 1 323.484 4.655 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212041 257127133 /nfs/dbraw/zinc/12/71/33/257127133.db2.gz BDVWXZQRPUYUMR-HXUWFJFHSA-N 1 1 324.468 4.844 40 0 DJABMO CC(C)N(c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC000072213037 257127200 /nfs/dbraw/zinc/12/72/00/257127200.db2.gz WUSFYAOFSMYEIN-SFHVURJKSA-N 1 1 303.494 4.640 40 0 DJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213034 257127429 /nfs/dbraw/zinc/12/74/29/257127429.db2.gz HPELRZRXBXXSBP-GOSISDBHSA-N 1 1 303.494 4.642 40 0 DJABMO CC(C)Oc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072211986 257127631 /nfs/dbraw/zinc/12/76/31/257127631.db2.gz NNQKJCMYHMSVGE-LJQANCHMSA-N 1 1 310.441 4.596 40 0 DJABMO Cc1ccc2[nH+]c(-c3cccs3)c(NCc3ccco3)n2c1 ZINC000000413711 563252231 /nfs/dbraw/zinc/25/22/31/563252231.db2.gz HVJMZYCCCQYATN-UHFFFAOYSA-N 1 1 309.394 4.576 40 0 DJABMO O=C(c1ccccc1)[C@@H]1C[N@H+](C2CCCCC2)[C@H]1c1ccccc1 ZINC000001660069 563289107 /nfs/dbraw/zinc/28/91/07/563289107.db2.gz ITKHXTZLDBGPSP-RTWAWAEBSA-N 1 1 319.448 4.875 40 0 DJABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCC2)cc1 ZINC000000417892 563608894 /nfs/dbraw/zinc/60/88/94/563608894.db2.gz SNBXXGFEBCHFHG-UHFFFAOYSA-N 1 1 321.424 4.673 40 0 DJABMO Cc1cccc(C[N@H+](Cc2cccs2)Cc2cccnc2)c1 ZINC000013569695 563660553 /nfs/dbraw/zinc/66/05/53/563660553.db2.gz OOPLKAGCGARVFV-UHFFFAOYSA-N 1 1 308.450 4.654 40 0 DJABMO Cc1cccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c1 ZINC000013569695 563660555 /nfs/dbraw/zinc/66/05/55/563660555.db2.gz OOPLKAGCGARVFV-UHFFFAOYSA-N 1 1 308.450 4.654 40 0 DJABMO C[C@@H]1CCC[N@@H+](Cc2ccc3oc(-c4cccc(F)c4)nc3c2)C1 ZINC000216841780 563711536 /nfs/dbraw/zinc/71/15/36/563711536.db2.gz VGNBQMXWMPHVHR-CQSZACIVSA-N 1 1 324.399 4.866 40 0 DJABMO CC(C)[N@H+]1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257229286 563791043 /nfs/dbraw/zinc/79/10/43/563791043.db2.gz FXMNHDMCNNCXCZ-OAHLLOKOSA-N 1 1 318.848 4.507 40 0 DJABMO Fc1ccccc1C[N@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000216784493 563852270 /nfs/dbraw/zinc/85/22/70/563852270.db2.gz FZLZKKPCIMUEHZ-UHFFFAOYSA-N 1 1 324.424 4.725 40 0 DJABMO Fc1ccccc1C[N@@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000216784493 563852272 /nfs/dbraw/zinc/85/22/72/563852272.db2.gz FZLZKKPCIMUEHZ-UHFFFAOYSA-N 1 1 324.424 4.725 40 0 DJABMO CC[N@H+]1[C@@H](c2ccccc2)[C@@H](C)C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000095481286 185373824 /nfs/dbraw/zinc/37/38/24/185373824.db2.gz SFCJAXKHIYXCGG-SMOSDQRPSA-N 1 1 307.437 4.646 40 0 DJABMO Fc1ccc(CNc2c(-c3ccccc3)[nH+]c3ccccn32)cc1 ZINC000004848421 181162554 /nfs/dbraw/zinc/16/25/54/181162554.db2.gz VYMDBEBORLBIQD-UHFFFAOYSA-N 1 1 317.367 4.753 40 0 DJABMO Cc1ccccc1[C@@H]1[NH2+][C@@H](c2ccccc2C)[C@@H](C)C(=O)[C@@H]1C ZINC000058189444 184085824 /nfs/dbraw/zinc/08/58/24/184085824.db2.gz GZFSBHPTKSDFKX-XNFNUYLZSA-N 1 1 307.437 4.530 40 0 DJABMO CC(C)Sc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072217470 257125055 /nfs/dbraw/zinc/12/50/55/257125055.db2.gz WEAUYCUZRXCSCP-SFHVURJKSA-N 1 1 312.482 4.919 40 0 DJABMO CCSc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217207 257125414 /nfs/dbraw/zinc/12/54/14/257125414.db2.gz VOVABVAOMSFENM-SFHVURJKSA-N 1 1 312.482 4.921 40 0 DJABMO CCSc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217208 257125647 /nfs/dbraw/zinc/12/56/47/257125647.db2.gz VOVABVAOMSFENM-GOSISDBHSA-N 1 1 312.482 4.921 40 0 DJABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214022 257125995 /nfs/dbraw/zinc/12/59/95/257125995.db2.gz ZYFMFOKEOBQHKG-SFHVURJKSA-N 1 1 301.478 4.619 40 0 DJABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214201 257126090 /nfs/dbraw/zinc/12/60/90/257126090.db2.gz ODCVFFCHZJPZEO-LJQANCHMSA-N 1 1 309.457 4.642 40 0 DJABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214216 257126300 /nfs/dbraw/zinc/12/63/00/257126300.db2.gz DDKBPYQOFPMSQN-LJQANCHMSA-N 1 1 309.457 4.787 40 0 DJABMO CC(C)CNc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213341 257126557 /nfs/dbraw/zinc/12/65/57/257126557.db2.gz DVJXBBFHWMWTDK-HXUWFJFHSA-N 1 1 323.484 4.877 40 0 DJABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214279 257126609 /nfs/dbraw/zinc/12/66/09/257126609.db2.gz OPQVQKCEWMQBBU-IBGZPJMESA-N 1 1 309.457 4.785 40 0 DJABMO CCCNc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213220 257126862 /nfs/dbraw/zinc/12/68/62/257126862.db2.gz GONIVZZSSPJESB-IBGZPJMESA-N 1 1 309.457 4.631 40 0 DJABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212097 257127252 /nfs/dbraw/zinc/12/72/52/257127252.db2.gz GNOUZDOVYBBOKB-LJQANCHMSA-N 1 1 310.441 4.598 40 0 DJABMO CC(C)Oc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211925 257127369 /nfs/dbraw/zinc/12/73/69/257127369.db2.gz LSVOUMGKWYJREO-IBGZPJMESA-N 1 1 310.441 4.596 40 0 DJABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212099 257127562 /nfs/dbraw/zinc/12/75/62/257127562.db2.gz MIXQLRAQWCDJJG-LJQANCHMSA-N 1 1 310.441 4.596 40 0 DJABMO CC(C)(C)Nc1c(-c2ccc(O)cc2)[nH+]c2ccc(Cl)cn21 ZINC000000416287 563608871 /nfs/dbraw/zinc/60/88/71/563608871.db2.gz WIHOVZUPQKTPJM-UHFFFAOYSA-N 1 1 315.804 4.571 40 0 DJABMO c1cnc2c(c1)cccc2SC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000014983439 563667381 /nfs/dbraw/zinc/66/73/81/563667381.db2.gz AGHBXQNGLDCAHT-SJORKVTESA-N 1 1 312.482 4.591 40 0 DJABMO CCC[N@@H+]1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 ZINC000226250006 563913346 /nfs/dbraw/zinc/91/33/46/563913346.db2.gz IGMDDRFURYXLBO-UHFFFAOYSA-N 1 1 311.212 4.634 40 0 DJABMO Cc1cc2nc(C3=CC[N@@H+](Cc4ccccc4)CC3)oc2cc1C ZINC000226250415 563913357 /nfs/dbraw/zinc/91/33/57/563913357.db2.gz OQTYAEGKMGYAJI-UHFFFAOYSA-N 1 1 318.420 4.734 40 0 DJABMO C[N@H+](CC(=O)c1ccc(Cl)cc1)Cc1cccc2ccccc21 ZINC000072162122 191061982 /nfs/dbraw/zinc/06/19/82/191061982.db2.gz JDBFLJJAXVNTEQ-UHFFFAOYSA-N 1 1 323.823 4.808 40 0 DJABMO C[N@@H+](CC(=O)c1ccc(Cl)cc1)Cc1cccc2ccccc21 ZINC000072162122 191061984 /nfs/dbraw/zinc/06/19/84/191061984.db2.gz JDBFLJJAXVNTEQ-UHFFFAOYSA-N 1 1 323.823 4.808 40 0 DJABMO CC(C)(C)C1=C[C@@H](c2ccccc2)[C@H]2CCCC[C@@]23OCC[N@@H+]13 ZINC000013511884 181857567 /nfs/dbraw/zinc/85/75/67/181857567.db2.gz PKMKJGOXZVPWQD-WAOWUJCRSA-N 1 1 311.469 4.933 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216665 257125320 /nfs/dbraw/zinc/12/53/20/257125320.db2.gz XOZODFXDCHKHGJ-IBGZPJMESA-N 1 1 315.505 4.645 40 0 DJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214037 257125844 /nfs/dbraw/zinc/12/58/44/257125844.db2.gz SXXGACPQVOKZAY-SFHVURJKSA-N 1 1 301.478 4.763 40 0 DJABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214263 257126263 /nfs/dbraw/zinc/12/62/63/257126263.db2.gz JQRXQJAUCYYRMI-LJQANCHMSA-N 1 1 309.457 4.787 40 0 DJABMO CCCCNc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072213588 257126460 /nfs/dbraw/zinc/12/64/60/257126460.db2.gz PGBTZSCIOQQIMK-LJQANCHMSA-N 1 1 309.457 4.631 40 0 DJABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2NC2CCC2)cc1 ZINC000072213925 257126509 /nfs/dbraw/zinc/12/65/09/257126509.db2.gz GBMXVOBFANBLLC-FQEVSTJZSA-N 1 1 321.468 4.773 40 0 DJABMO CC[C@H](C)Nc1ncccc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072213372 257126923 /nfs/dbraw/zinc/12/69/23/257126923.db2.gz RKAGPTYFLJXVLF-LPHOPBHVSA-N 1 1 309.457 4.629 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212102 257127344 /nfs/dbraw/zinc/12/73/44/257127344.db2.gz NYMAHSQWOAFYPD-FQEVSTJZSA-N 1 1 324.468 4.844 40 0 DJABMO CCC[N@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212038 257127534 /nfs/dbraw/zinc/12/75/34/257127534.db2.gz NMYJANSPRDCGBI-IBGZPJMESA-N 1 1 310.441 4.598 40 0 DJABMO CCN(CC)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072212862 257127538 /nfs/dbraw/zinc/12/75/38/257127538.db2.gz IZXIHGLBKWNPSF-FQEVSTJZSA-N 1 1 323.484 4.655 40 0 DJABMO CCOC(=O)c1cccc(Nc2cc[nH+]c3c(CC)cccc23)c1 ZINC000064874803 257128895 /nfs/dbraw/zinc/12/88/95/257128895.db2.gz VXFRRKDNLNOELM-UHFFFAOYSA-N 1 1 320.392 4.718 40 0 DJABMO Fc1cccc(-c2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000036752071 563457442 /nfs/dbraw/zinc/45/74/42/563457442.db2.gz FXGCKUZGLGWNMG-UHFFFAOYSA-N 1 1 324.424 4.508 40 0 DJABMO Cc1ccc(-c2[nH+]c3cc(C)ccn3c2NC2CCCC2)cc1 ZINC000000412114 563608274 /nfs/dbraw/zinc/60/82/74/563608274.db2.gz LFUWQHOSVGSGGY-UHFFFAOYSA-N 1 1 305.425 4.973 40 0 DJABMO Cc1ccccc1[C@H]1[NH2+][C@H](c2ccccc2C)[C@H](C)C(=O)[C@@H]1C ZINC000101996843 563634377 /nfs/dbraw/zinc/63/43/77/563634377.db2.gz GZFSBHPTKSDFKX-JSJNYSNDSA-N 1 1 307.437 4.530 40 0 DJABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3oc(-c4ccccc4)nc3c2)C1 ZINC000216788915 563852059 /nfs/dbraw/zinc/85/20/59/563852059.db2.gz ZBBVFTHQSSVTLD-IYBDPMFKSA-N 1 1 320.436 4.973 40 0 DJABMO C[C@H]1CCCC[N@H+]1Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000216789063 563852153 /nfs/dbraw/zinc/85/21/53/563852153.db2.gz GCSSQWKQHGWEIV-HNNXBMFYSA-N 1 1 306.409 4.869 40 0 DJABMO C[C@@H]1CCC[N@@H+](Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000216790157 563852239 /nfs/dbraw/zinc/85/22/39/563852239.db2.gz VNVVVTYUGHFWDF-CQSZACIVSA-N 1 1 324.399 4.866 40 0 DJABMO CCc1ccc2oc(C3=CC[N@@H+](Cc4ccccc4)CC3)nc2c1 ZINC000226250397 563913342 /nfs/dbraw/zinc/91/33/42/563913342.db2.gz XLSJNOGUZXDTDA-UHFFFAOYSA-N 1 1 318.420 4.680 40 0 DJABMO Cc1ccccc1[C@@H]1[NH2+][C@@H](c2ccccc2C)[C@H](C)C(=O)[C@@H]1C ZINC000004289843 181093118 /nfs/dbraw/zinc/09/31/18/181093118.db2.gz GZFSBHPTKSDFKX-WOUAJJJCSA-N 1 1 307.437 4.530 40 0 DJABMO CCCCc1ccc(C(=O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000004958180 181179540 /nfs/dbraw/zinc/17/95/40/181179540.db2.gz SNFKPHYOEJSMPB-OALUTQOASA-N 1 1 313.485 4.724 40 0 DJABMO O=C(c1ccccc1)[C@@H]1C[N@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000005045921 181196250 /nfs/dbraw/zinc/19/62/50/181196250.db2.gz ITKHXTZLDBGPSP-NHCUHLMSSA-N 1 1 319.448 4.875 40 0 DJABMO CCC[C@H]1[C@H](O)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000006311374 181328383 /nfs/dbraw/zinc/32/83/83/181328383.db2.gz WYTPYNYFQAORGV-DOIPELPJSA-N 1 1 309.453 4.582 40 0 DJABMO CC[N@H+](CC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000016681407 182057204 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CCC[N@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212098 257126816 /nfs/dbraw/zinc/12/68/16/257126816.db2.gz GNOUZDOVYBBOKB-IBGZPJMESA-N 1 1 310.441 4.598 40 0 DJABMO CC(C)N(c1ncccc1[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC000072213036 257127124 /nfs/dbraw/zinc/12/71/24/257127124.db2.gz WUSFYAOFSMYEIN-GOSISDBHSA-N 1 1 303.494 4.640 40 0 DJABMO CCN(CC)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072212922 257127255 /nfs/dbraw/zinc/12/72/55/257127255.db2.gz CFJDNAUPRDGPAK-FQEVSTJZSA-N 1 1 323.484 4.655 40 0 DJABMO CCOC(=O)c1ccc(Nc2cc[nH+]c3c(C)ccc(F)c23)cc1 ZINC000064874841 257127827 /nfs/dbraw/zinc/12/78/27/257127827.db2.gz AIMAVTIWMOGGNA-UHFFFAOYSA-N 1 1 324.355 4.603 40 0 DJABMO Nc1cccc(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)c1 ZINC000064875375 257128242 /nfs/dbraw/zinc/12/82/42/257128242.db2.gz CGRSMAQREHWQFW-UHFFFAOYSA-N 1 1 303.287 4.579 40 0 DJABMO CC[C@@H]1C(=O)[C@@H](CC)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000055450189 563475738 /nfs/dbraw/zinc/47/57/38/563475738.db2.gz UWLZKFVZABBKHL-VNTMZGSJSA-N 1 1 307.437 4.694 40 0 DJABMO O=C(c1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000095934591 563531328 /nfs/dbraw/zinc/53/13/28/563531328.db2.gz BAZZAEQKTWWCBH-GOSISDBHSA-N 1 1 313.828 4.750 40 0 DJABMO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2NC1CCCCC1 ZINC000000412103 563608403 /nfs/dbraw/zinc/60/84/03/563608403.db2.gz RZJIDAWJKZOACP-UHFFFAOYSA-N 1 1 321.424 4.760 40 0 DJABMO COc1ccc(-c2[nH+]c3cc(C)ccn3c2NC2CCCC2)cc1 ZINC000000417897 563608909 /nfs/dbraw/zinc/60/89/09/563608909.db2.gz NIASPXIUJXDLBO-UHFFFAOYSA-N 1 1 321.424 4.673 40 0 DJABMO CC(C)(C)C1=C[C@@H](c2ccccc2)[C@@H]2CCCC[C@@]23OCC[N@@H+]13 ZINC000013511880 563659854 /nfs/dbraw/zinc/65/98/54/563659854.db2.gz PKMKJGOXZVPWQD-BBTUJRGHSA-N 1 1 311.469 4.933 40 0 DJABMO Cc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)cc1 ZINC000013569697 563660187 /nfs/dbraw/zinc/66/01/87/563660187.db2.gz NWVJTWUVPGISHK-UHFFFAOYSA-N 1 1 308.450 4.654 40 0 DJABMO Cc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)cc1 ZINC000013569697 563660191 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Cc1cc([C@@H]2CCCCC[N@H+]2Cc2ccnc3ccccc23)on1 ZINC000019120332 182105295 /nfs/dbraw/zinc/10/52/95/182105295.db2.gz PAIQRBOMDQRQJE-IBGZPJMESA-N 1 1 321.424 4.649 40 0 DJABMO C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2-c2ccc(F)cc2)C1 ZINC000057762043 184051619 /nfs/dbraw/zinc/05/16/19/184051619.db2.gz FQSIKOKBKCRFEU-CQSZACIVSA-N 1 1 323.415 4.601 40 0 DJABMO Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072219302 257124147 /nfs/dbraw/zinc/12/41/47/257124147.db2.gz NUTJHFOKJSZAFK-IBGZPJMESA-N 1 1 315.505 4.563 40 0 DJABMO Cc1nc(Cl)ccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072217927 257125263 /nfs/dbraw/zinc/12/52/63/257125263.db2.gz JMHUGKSATSXNFM-QGZVFWFLSA-N 1 1 300.833 4.771 40 0 DJABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214217 257125812 /nfs/dbraw/zinc/12/58/12/257125812.db2.gz DDKBPYQOFPMSQN-IBGZPJMESA-N 1 1 309.457 4.787 40 0 DJABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(NC3CCC3)nc2)cc1 ZINC000072213864 257125911 /nfs/dbraw/zinc/12/59/11/257125911.db2.gz WZQOYIJZSBKROL-HXUWFJFHSA-N 1 1 321.468 4.773 40 0 DJABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214219 257125970 /nfs/dbraw/zinc/12/59/70/257125970.db2.gz XOGPZDBOIHZAGC-IBGZPJMESA-N 1 1 309.457 4.785 40 0 DJABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214262 257126595 /nfs/dbraw/zinc/12/65/95/257126595.db2.gz AGGXGJTVCZBURR-IBGZPJMESA-N 1 1 309.457 4.642 40 0 DJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212085 257127118 /nfs/dbraw/zinc/12/71/18/257127118.db2.gz HPJUUFNRFNDGMV-IBGZPJMESA-N 1 1 310.441 4.598 40 0 DJABMO CCCC[N@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212025 257127424 /nfs/dbraw/zinc/12/74/24/257127424.db2.gz HIDFCUVOYVXBHY-IBGZPJMESA-N 1 1 310.441 4.598 40 0 DJABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212039 257127436 /nfs/dbraw/zinc/12/74/36/257127436.db2.gz IMLQVXMELQTFGT-LJQANCHMSA-N 1 1 310.441 4.596 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212978 257127590 /nfs/dbraw/zinc/12/75/90/257127590.db2.gz XYIOYIDXAQCUNX-LJQANCHMSA-N 1 1 317.521 4.888 40 0 DJABMO CC[N@H+]1CCC[C@H](N2c3ccccc3Sc3ccccc32)C1 ZINC000004365567 563327739 /nfs/dbraw/zinc/32/77/39/563327739.db2.gz IOIRMOPBZLQITN-HNNXBMFYSA-N 1 1 310.466 4.774 40 0 DJABMO C[N@H+]1CCC[C@H](c2ccccc2)c2[nH]c3ccccc3c2CC1 ZINC000028567783 563432300 /nfs/dbraw/zinc/43/23/00/563432300.db2.gz AEHACZVHKAVVDK-QGZVFWFLSA-N 1 1 304.437 4.568 40 0 DJABMO Fc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1 ZINC000000319821 563607485 /nfs/dbraw/zinc/60/74/85/563607485.db2.gz OALGUOIZZBKEAG-UHFFFAOYSA-N 1 1 309.388 4.885 40 0 DJABMO C[C@H]1CCC[N@@H+](Cc2ccc3oc(-c4ccccc4F)nc3c2)C1 ZINC000216790204 563852231 /nfs/dbraw/zinc/85/22/31/563852231.db2.gz VNVVVTYUGHFWDF-AWEZNQCLSA-N 1 1 324.399 4.866 40 0 DJABMO Clc1ccccc1C[N@@H+]1CC=C(c2nc3ccccc3[nH]2)CC1 ZINC000226250696 563913480 /nfs/dbraw/zinc/91/34/80/563913480.db2.gz DOVMWNHUVHNQDL-UHFFFAOYSA-N 1 1 323.827 4.506 40 0 DJABMO Cc1cccc(-c2nccnc2[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000072358317 191130689 /nfs/dbraw/zinc/13/06/89/191130689.db2.gz DGWKJYJVCUIECA-SFHVURJKSA-N 1 1 321.468 4.574 40 0 DJABMO Cc1cccc([C@@H]2[NH2+][C@@H](c3cccc(C)c3)[C@H](C)C(=O)[C@@H]2C)c1 ZINC000004289848 181093189 /nfs/dbraw/zinc/09/31/89/181093189.db2.gz AHESAKCLGLIIOI-WOUAJJJCSA-N 1 1 307.437 4.530 40 0 DJABMO CCCCCC[N@H+]1CCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000005951295 181300201 /nfs/dbraw/zinc/30/02/01/181300201.db2.gz WXGKDINBEFIPNV-GOSISDBHSA-N 1 1 316.489 4.595 40 0 DJABMO Cc1cc([C@H]2CCCC[N@@H+]2CC(C)C)cnc1N1CCCCC1 ZINC000072219183 257124568 /nfs/dbraw/zinc/12/45/68/257124568.db2.gz ZEOFKUFMWKMMLC-LJQANCHMSA-N 1 1 315.505 4.563 40 0 DJABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216726 257124816 /nfs/dbraw/zinc/12/48/16/257124816.db2.gz PYSHRBXSHUHSMA-LJQANCHMSA-N 1 1 315.505 4.789 40 0 DJABMO CC(C)Sc1ncccc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072217531 257124866 /nfs/dbraw/zinc/12/48/66/257124866.db2.gz HIGPNYLXXJDMCG-GOSISDBHSA-N 1 1 312.482 4.919 40 0 DJABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214024 257126635 /nfs/dbraw/zinc/12/66/35/257126635.db2.gz DZCHERDJVHWBPM-SFHVURJKSA-N 1 1 301.478 4.763 40 0 DJABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212103 257127465 /nfs/dbraw/zinc/12/74/65/257127465.db2.gz XDMGMICFXGTVOH-HXUWFJFHSA-N 1 1 324.468 4.988 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213039 257127483 /nfs/dbraw/zinc/12/74/83/257127483.db2.gz YPQKJODGFRVRMD-IBGZPJMESA-N 1 1 317.521 4.888 40 0 DJABMO Cc1ccc(Oc2ccccc2OCC[C@H]2CCC[N@@H+]2C)cc1 ZINC000585266222 563537043 /nfs/dbraw/zinc/53/70/43/563537043.db2.gz POYRTBGGUJLQBX-QGZVFWFLSA-N 1 1 311.425 4.650 40 0 DJABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC(C)(C)C)cc1 ZINC000000416282 563608791 /nfs/dbraw/zinc/60/87/91/563608791.db2.gz NHPILPWDDHNQHX-UHFFFAOYSA-N 1 1 309.413 4.529 40 0 DJABMO c1nc([C@H]2CCC[N@H+]2Cc2ccccc2)oc1Cc1ccccc1 ZINC000257251029 563792200 /nfs/dbraw/zinc/79/22/00/563792200.db2.gz JPCCDBWLTPDCJP-HXUWFJFHSA-N 1 1 318.420 4.603 40 0 DJABMO c1nc([C@H]2CCC[N@@H+]2Cc2ccccc2)oc1Cc1ccccc1 ZINC000257251029 563792204 /nfs/dbraw/zinc/79/22/04/563792204.db2.gz JPCCDBWLTPDCJP-HXUWFJFHSA-N 1 1 318.420 4.603 40 0 DJABMO Oc1ccc(Nc2[nH+]c3ccccc3n2Cc2ccccc2)cc1 ZINC000045918811 563813675 /nfs/dbraw/zinc/81/36/75/563813675.db2.gz YFOLFMAJSXZTKZ-UHFFFAOYSA-N 1 1 315.376 4.534 40 0 DJABMO Cc1cc2nc(C3=CC[N@@H+](Cc4ccccc4)CC3)oc2c(C)c1 ZINC000226250427 563913276 /nfs/dbraw/zinc/91/32/76/563913276.db2.gz VKYJCCZRVOVCGR-UHFFFAOYSA-N 1 1 318.420 4.734 40 0 DJABMO Cc1ccc(C[N@@H+]2CC=C(c3nc4cc(C)ccc4o3)CC2)cc1 ZINC000226251186 563913474 /nfs/dbraw/zinc/91/34/74/563913474.db2.gz OIZOOJNFEBTALT-UHFFFAOYSA-N 1 1 318.420 4.734 40 0 DJABMO CC[C@@H]1C(=O)[C@@H](CC)[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000096902008 185390369 /nfs/dbraw/zinc/39/03/69/185390369.db2.gz UWLZKFVZABBKHL-LWYYNNOASA-N 1 1 307.437 4.694 40 0 DJABMO C[C@]12C[C@H](CC(C)(C)C1)N(C[N@H+]1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)C2 ZINC000019330941 182116403 /nfs/dbraw/zinc/11/64/03/182116403.db2.gz ZZXYJYCEOKXSBN-USNOLKROSA-N 1 1 318.549 4.745 40 0 DJABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc3ncccc3c2)cc1 ZINC000072221813 257124536 /nfs/dbraw/zinc/12/45/36/257124536.db2.gz HZRPFEXDVGSBOX-OAQYLSRUSA-N 1 1 302.421 4.962 40 0 DJABMO CC(C)CNc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072213281 257125862 /nfs/dbraw/zinc/12/58/62/257125862.db2.gz PFFJHTDXPHGYJD-HXUWFJFHSA-N 1 1 323.484 4.877 40 0 DJABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214203 257126095 /nfs/dbraw/zinc/12/60/95/257126095.db2.gz SPLFPSQYVNDFNR-LJQANCHMSA-N 1 1 309.457 4.787 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1 ZINC000072213981 257126208 /nfs/dbraw/zinc/12/62/08/257126208.db2.gz DILGFCLRKDEGFF-SFHVURJKSA-N 1 1 301.478 4.619 40 0 DJABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214277 257126352 /nfs/dbraw/zinc/12/63/52/257126352.db2.gz LIMMKBSSWKRSIE-IBGZPJMESA-N 1 1 309.457 4.787 40 0 DJABMO CC(C)Oc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211926 257127221 /nfs/dbraw/zinc/12/72/21/257127221.db2.gz LSVOUMGKWYJREO-LJQANCHMSA-N 1 1 310.441 4.596 40 0 DJABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1 ZINC000072212104 257127261 /nfs/dbraw/zinc/12/72/61/257127261.db2.gz XDMGMICFXGTVOH-FQEVSTJZSA-N 1 1 324.468 4.988 40 0 DJABMO CC[C@@H](C)Nc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000072213483 257127441 /nfs/dbraw/zinc/12/74/41/257127441.db2.gz OCNHBINLNOCLPC-APWZRJJASA-N 1 1 309.457 4.629 40 0 DJABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212101 257127613 /nfs/dbraw/zinc/12/76/13/257127613.db2.gz NYMAHSQWOAFYPD-HXUWFJFHSA-N 1 1 324.468 4.844 40 0 DJABMO c1ccc2sc([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1 ZINC000049168924 560084996 /nfs/dbraw/zinc/08/49/96/560084996.db2.gz XGCVISTXVBMJAA-HNNXBMFYSA-N 1 1 300.471 4.666 40 0 biogenic,in-vitro DJABMO CC[NH+](CC)CCCCNc1c(C)cnc2cc(Cl)ccc21 ZINC000001712474 563292727 /nfs/dbraw/zinc/29/27/27/563292727.db2.gz RRRYAUFUKVLMLB-UHFFFAOYSA-N 1 1 319.880 4.731 40 0 DJABMO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cccc(Cl)c21 ZINC000001873646 563296739 /nfs/dbraw/zinc/29/67/39/563296739.db2.gz CHDBGFBFAXJWRC-AWEZNQCLSA-N 1 1 319.880 4.811 40 0 DJABMO CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000031628043 563440352 /nfs/dbraw/zinc/44/03/52/563440352.db2.gz ZIIWILKHOWBKRY-KRWDZBQOSA-N 1 1 324.251 4.549 40 0 DJABMO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(NC3CCCCC3)n2c1 ZINC000000412102 563608296 /nfs/dbraw/zinc/60/82/96/563608296.db2.gz ARTIMRDZLIRIGD-UHFFFAOYSA-N 1 1 321.424 4.760 40 0 DJABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NC2CCCC2)cc1 ZINC000000417886 563608978 /nfs/dbraw/zinc/60/89/78/563608978.db2.gz JABIEDSHAICUHZ-UHFFFAOYSA-N 1 1 321.424 4.673 40 0 DJABMO Fc1cccc(C[N@@H+]2CC=C(c3nc4ccccc4s3)CC2)c1 ZINC000216784565 563852087 /nfs/dbraw/zinc/85/20/87/563852087.db2.gz QDMLJUCWSJWLSX-UHFFFAOYSA-N 1 1 324.424 4.725 40 0 DJABMO Clc1ccc2oc([C@H]3CC[N@@H+](Cc4cccs4)C3)nc2c1 ZINC000035446460 563867299 /nfs/dbraw/zinc/86/72/99/563867299.db2.gz NNYYNMPIJVFNPP-NSHDSACASA-N 1 1 318.829 4.532 40 0 biogenic,in-vitro DJABMO Clc1ccc(C[N@H+]2CC=C(c3nc4ccccc4o3)CC2)cc1 ZINC000226251123 563913325 /nfs/dbraw/zinc/91/33/25/563913325.db2.gz QBIIHWWQVQBDMI-UHFFFAOYSA-N 1 1 324.811 4.771 40 0 DJABMO Clc1ccc(C[N@@H+]2CC=C(c3nc4ccccc4o3)CC2)cc1 ZINC000226251123 563913326 /nfs/dbraw/zinc/91/33/26/563913326.db2.gz QBIIHWWQVQBDMI-UHFFFAOYSA-N 1 1 324.811 4.771 40 0 DJABMO CC[N@@H+]1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250053 563913425 /nfs/dbraw/zinc/91/34/25/563913425.db2.gz VDOBZZYIHZPQDD-UHFFFAOYSA-N 1 1 304.393 4.604 40 0 DJABMO c1cnc2c(c1)cccc2SC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000014983436 563922725 /nfs/dbraw/zinc/92/27/25/563922725.db2.gz AGHBXQNGLDCAHT-IRXDYDNUSA-N 1 1 312.482 4.591 40 0 DJABMO