smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2[nH]c(CCN(C(=O)Nc3cccc(F)c3)C3CCCC3)[nH+]c2cc1C ZINC000001360862 209323248 /nfs/dbraw/zinc/32/32/48/209323248.db2.gz UNTWIHQKKUNSDO-UHFFFAOYSA-N 1 2 394.494 5.338 40 0 GKABLO CC1CCN(C(=O)c2cc(Nc3cc[nH+]c4cc(Cl)ccc34)ccc2O)CC1 ZINC000001607631 212251133 /nfs/dbraw/zinc/25/11/33/212251133.db2.gz GXECQAGLPLEPHY-UHFFFAOYSA-N 1 2 395.890 5.210 40 0 GKABLO Clc1ccccc1C[NH+]1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 ZINC000226245859 209187652 /nfs/dbraw/zinc/18/76/52/209187652.db2.gz WCNQJWKQDGAUQP-UHFFFAOYSA-N 1 2 386.326 5.106 40 0 GKABLO Clc1ccc([C@H](Cn2cc[nH+]c2)OCc2c(Cl)cccc2Cl)cc1 ZINC000005117064 204111838 /nfs/dbraw/zinc/11/18/38/204111838.db2.gz PBNSEYNKZBMLLY-SFHVURJKSA-N 1 2 381.690 5.801 40 0 in-man GKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329061713 209159499 /nfs/dbraw/zinc/15/94/99/209159499.db2.gz WSSGFUWSAQRGHY-CQSZACIVSA-N 1 2 386.421 5.538 40 0 GKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)ccc1Cl ZINC000328960410 209153919 /nfs/dbraw/zinc/15/39/19/209153919.db2.gz AXHYRJMEQYJHFA-UHFFFAOYSA-N 1 2 378.907 5.625 40 0 GKABLO Cc1ccc(C)c(NC(=S)N2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)c1 ZINC000001326993 205708966 /nfs/dbraw/zinc/70/89/66/205708966.db2.gz IFWDHLPXGYCGME-UHFFFAOYSA-N 1 2 392.572 5.373 40 0 GKABLO CCOc1ccc(C(=O)CN(c2cccc(Cl)c2)C2=[NH+]CCCCC2)cc1 ZINC000006870327 206220854 /nfs/dbraw/zinc/22/08/54/206220854.db2.gz IMOZYETWOOBAJG-UHFFFAOYSA-N 1 2 384.907 5.401 40 0 GKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000328976201 206239069 /nfs/dbraw/zinc/23/90/69/206239069.db2.gz FNLXIRAGFJYGDZ-UHFFFAOYSA-N 1 2 392.934 5.437 40 0 GKABLO CC[C@@H](C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329030744 206242808 /nfs/dbraw/zinc/24/28/08/206242808.db2.gz QFTLFZLQYJZTAY-CYBMUJFWSA-N 1 2 387.314 5.248 40 0 GKABLO COc1ccc(/C(Cl)=C(\CNc2cccc[nH+]2)c2ccccc2)cc1OC ZINC000001644458 206388331 /nfs/dbraw/zinc/38/83/31/206388331.db2.gz NRLLCNUTLMMOLE-PYCFMQQDSA-N 1 2 380.875 5.318 40 0 GKABLO c1ccc(Oc2cccc(C[N@@H+](Cc3ccncc3)Cc3cccnc3)c2)cc1 ZINC000019373573 207119482 /nfs/dbraw/zinc/11/94/82/207119482.db2.gz RQOZUNZARFVSOW-UHFFFAOYSA-N 1 2 381.479 5.471 40 0 GKABLO c1ccc(Oc2cccc(C[N@H+](Cc3ccncc3)Cc3cccnc3)c2)cc1 ZINC000019373573 207119487 /nfs/dbraw/zinc/11/94/87/207119487.db2.gz RQOZUNZARFVSOW-UHFFFAOYSA-N 1 2 381.479 5.471 40 0 GKABLO Cc1[nH+]cc(NC(=O)c2ccccc2C)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616163 207399948 /nfs/dbraw/zinc/39/99/48/207399948.db2.gz OBDIWTZSKOWJMT-UHFFFAOYSA-N 1 2 388.496 5.173 40 0 GKABLO Clc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377612 208007673 /nfs/dbraw/zinc/00/76/73/208007673.db2.gz REQPZJCIRAWBAE-QGZVFWFLSA-N 1 2 385.924 5.057 40 0 GKABLO Clc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377612 208007675 /nfs/dbraw/zinc/00/76/75/208007675.db2.gz REQPZJCIRAWBAE-QGZVFWFLSA-N 1 2 385.924 5.057 40 0 GKABLO O=C(C[C@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000090486433 208115572 /nfs/dbraw/zinc/11/55/72/208115572.db2.gz MHMXHYMUQLTINC-LJQANCHMSA-N 1 2 390.310 5.304 40 0 GKABLO Cc1sc2c(c1C)C[N@@H+](CCC1=CCCCC1)CN2C(=O)c1ccccc1 ZINC000020193360 210321288 /nfs/dbraw/zinc/32/12/88/210321288.db2.gz AVFGNECIUIFAPL-UHFFFAOYSA-N 1 2 380.557 5.675 40 0 GKABLO Cc1sc2c(c1C)C[N@H+](CCC1=CCCCC1)CN2C(=O)c1ccccc1 ZINC000020193360 210321292 /nfs/dbraw/zinc/32/12/92/210321292.db2.gz AVFGNECIUIFAPL-UHFFFAOYSA-N 1 2 380.557 5.675 40 0 GKABLO c1ccc(Cc2cccc3cc4c(nc32)OCC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000013563826 221272896 /nfs/dbraw/zinc/27/28/96/221272896.db2.gz QYLAMQGSGSBQDM-UHFFFAOYSA-N 1 2 380.491 5.220 40 0 GKABLO c1ccc(Cc2cccc3cc4c(nc32)OCC[N@H+](Cc2ccccc2)C4)cc1 ZINC000013563826 221272899 /nfs/dbraw/zinc/27/28/99/221272899.db2.gz QYLAMQGSGSBQDM-UHFFFAOYSA-N 1 2 380.491 5.220 40 0 GKABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000226255075 136192546 /nfs/dbraw/zinc/19/25/46/136192546.db2.gz IHCDNBGCTOLVGD-UHFFFAOYSA-N 1 2 378.303 5.064 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000226329755 136192566 /nfs/dbraw/zinc/19/25/66/136192566.db2.gz RRLCIMQKGHQWOI-ROUUACIJSA-N 1 2 393.575 5.894 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N@H+]1CCCC[C@H]1C ZINC000226330896 136192727 /nfs/dbraw/zinc/19/27/27/136192727.db2.gz PKYDHHQNJFMHMP-CYBMUJFWSA-N 1 2 392.330 5.515 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N@@H+]1CCCC[C@H]1C ZINC000226330896 136192728 /nfs/dbraw/zinc/19/27/28/136192728.db2.gz PKYDHHQNJFMHMP-CYBMUJFWSA-N 1 2 392.330 5.515 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[NH+]1CCC(C)CC1 ZINC000226330838 136192734 /nfs/dbraw/zinc/19/27/34/136192734.db2.gz KSKZFGUCHPRNSW-UHFFFAOYSA-N 1 2 392.330 5.373 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[N@H+]1CCCC[C@H]1C ZINC000226330872 136192757 /nfs/dbraw/zinc/19/27/57/136192757.db2.gz MNGHKALQJXXVBG-CYBMUJFWSA-N 1 2 392.330 5.515 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[N@@H+]1CCCC[C@H]1C ZINC000226330872 136192758 /nfs/dbraw/zinc/19/27/58/136192758.db2.gz MNGHKALQJXXVBG-CYBMUJFWSA-N 1 2 392.330 5.515 40 0 GKABLO CC1=C[C@@H](CNC(=O)C2CCC2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072320863 560077825 /nfs/dbraw/zinc/07/78/25/560077825.db2.gz MUSMQWXDXNKRSS-BJLQDIEVSA-N 1 2 397.538 5.015 40 0 biogenic,in-vitro GKABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216732 570317805 /nfs/dbraw/zinc/31/78/05/570317805.db2.gz MKOGIKOWDVWWOE-JOCHJYFZSA-N 1 2 393.531 5.326 40 0 GKABLO c1ccc(C2=CN(C3CCCCC3)[C@](c3ccccc3)(C3CCCCC3)C=[NH+]2)cc1 ZINC000005202745 570431088 /nfs/dbraw/zinc/43/10/88/570431088.db2.gz XORWRQKTZMGINU-MUUNZHRXSA-N 1 2 398.594 7.180 40 0 GKABLO Fc1ccc(OCC[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000005386100 570436837 /nfs/dbraw/zinc/43/68/37/570436837.db2.gz FHKXBOJPHOEMQO-CQSZACIVSA-N 1 2 379.262 5.582 40 0 GKABLO CC(C)c1ccc2oc(C3=CC[N@H+](Cc4ccc(F)cc4Cl)CC3)nc2c1 ZINC000226307816 570459331 /nfs/dbraw/zinc/45/93/31/570459331.db2.gz WKTXHJLUAWIMSO-UHFFFAOYSA-N 1 2 384.882 6.033 40 0 GKABLO CC(C)c1ccc2oc(C3=CC[N@@H+](Cc4ccc(F)cc4Cl)CC3)nc2c1 ZINC000226307816 570459334 /nfs/dbraw/zinc/45/93/34/570459334.db2.gz WKTXHJLUAWIMSO-UHFFFAOYSA-N 1 2 384.882 6.033 40 0 GKABLO Cc1ccccc1NC(=S)N1CCC(c2[nH]c3cc(C)c(C)cc3[nH+]2)CC1 ZINC000001327172 570567287 /nfs/dbraw/zinc/56/72/87/570567287.db2.gz HAWANYLGQWJDKL-UHFFFAOYSA-N 1 2 378.545 5.065 40 0 GKABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=S)Nc4ccccc4Cl)C3)[nH+]c2cc1C ZINC000001350094 570573112 /nfs/dbraw/zinc/57/31/12/570573112.db2.gz KMRFEHSKHYAHDU-OAHLLOKOSA-N 1 2 398.963 5.410 40 0 GKABLO Cc1cc2[nH]c([C@H]3CCCN(C(=S)Nc4ccc(Cl)cc4)C3)[nH+]c2cc1C ZINC000004967256 570654252 /nfs/dbraw/zinc/65/42/52/570654252.db2.gz ITNJBPRIBWKBFB-HNNXBMFYSA-N 1 2 398.963 5.410 40 0 GKABLO S=c1oc(-c2ccccc2Cl)nn1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000059497998 570659180 /nfs/dbraw/zinc/65/91/80/570659180.db2.gz YDSUFINNZDPEHD-UHFFFAOYSA-N 1 2 399.947 5.438 40 0 GKABLO CCCCCC(=O)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3)nc2cc1C ZINC000006595161 570748892 /nfs/dbraw/zinc/74/88/92/570748892.db2.gz IDRQQNAHUDTLGF-UHFFFAOYSA-N 1 2 393.535 5.094 40 0 GKABLO Cc1ccccc1NC(=S)N1CCC[C@@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000013471832 570848160 /nfs/dbraw/zinc/84/81/60/570848160.db2.gz BAZXEJHKDZWXDK-QGZVFWFLSA-N 1 2 378.545 5.065 40 0 GKABLO COc1ccc2cc3c(nc2c1)O[C@@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563894 570852242 /nfs/dbraw/zinc/85/22/42/570852242.db2.gz QNGZCENLDQRZKV-RUZDIDTESA-N 1 2 396.490 5.379 40 0 GKABLO COc1ccc2cc3c(nc2c1)O[C@@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563894 570852245 /nfs/dbraw/zinc/85/22/45/570852245.db2.gz QNGZCENLDQRZKV-RUZDIDTESA-N 1 2 396.490 5.379 40 0 GKABLO Cc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@@H](c1ccccc1)O3 ZINC000013563887 570852466 /nfs/dbraw/zinc/85/24/66/570852466.db2.gz LVIJEXRZBOKXRN-VWLOTQADSA-N 1 2 380.491 5.679 40 0 GKABLO Cc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@@H](c1ccccc1)O3 ZINC000013563887 570852469 /nfs/dbraw/zinc/85/24/69/570852469.db2.gz LVIJEXRZBOKXRN-VWLOTQADSA-N 1 2 380.491 5.679 40 0 GKABLO c1csc([C@H](Cc2ccsc2)[NH2+]Cc2ccccc2OC2CCCC2)n1 ZINC000019349529 570978746 /nfs/dbraw/zinc/97/87/46/570978746.db2.gz OXKVCGHVTNOMGS-IBGZPJMESA-N 1 2 384.570 5.600 40 0 GKABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019120899 210226704 /nfs/dbraw/zinc/22/67/04/210226704.db2.gz JNVMFHHXGORARC-QGZVFWFLSA-N 1 2 391.302 5.407 40 0 GKABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019120899 210226709 /nfs/dbraw/zinc/22/67/09/210226709.db2.gz JNVMFHHXGORARC-QGZVFWFLSA-N 1 2 391.302 5.407 40 0 GKABLO Cc1cc(C)cc(C[C@H](c2[nH]c3ccccc3[nH+]2)[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001088590 212216722 /nfs/dbraw/zinc/21/67/22/212216722.db2.gz PZKBICFOWSJNQL-QUCCMNQESA-N 1 2 394.522 6.186 40 0 GKABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1Cl ZINC000329029281 212094162 /nfs/dbraw/zinc/09/41/62/212094162.db2.gz PZADUDUPFWXWKM-UHFFFAOYSA-N 1 2 396.897 5.268 40 0 GKABLO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328994521 212092387 /nfs/dbraw/zinc/09/23/87/212092387.db2.gz JFGRJGOYYCWICT-UHFFFAOYSA-N 1 2 392.934 5.437 40 0 GKABLO CC(C)n1cc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306123155 212042520 /nfs/dbraw/zinc/04/25/20/212042520.db2.gz AFVQAEKKLDYTHX-LJQANCHMSA-N 1 2 391.544 5.177 40 0 GKABLO CC(C)n1cc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 ZINC000306123155 212042522 /nfs/dbraw/zinc/04/25/22/212042522.db2.gz AFVQAEKKLDYTHX-LJQANCHMSA-N 1 2 391.544 5.177 40 0 GKABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329049559 209159752 /nfs/dbraw/zinc/15/97/52/209159752.db2.gz UQCMTEJBQQQQCI-ZDUSSCGKSA-N 1 2 387.314 5.248 40 0 GKABLO Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329036401 209158094 /nfs/dbraw/zinc/15/80/94/209158094.db2.gz RIGUZYROFHAYMT-UHFFFAOYSA-N 1 2 389.341 5.109 40 0 GKABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329023408 209157194 /nfs/dbraw/zinc/15/71/94/209157194.db2.gz OSYPSCMMABIMFU-UHFFFAOYSA-N 1 2 388.515 5.452 40 0 GKABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328984852 209156716 /nfs/dbraw/zinc/15/67/16/209156716.db2.gz HPIUTBBKWMTUNW-UHFFFAOYSA-N 1 2 390.556 5.198 40 0 GKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000328996679 209155746 /nfs/dbraw/zinc/15/57/46/209155746.db2.gz JLJDXYCWVBKQCA-INIZCTEOSA-N 1 2 392.934 5.948 40 0 GKABLO CC(C)c1nc(N2Cc3ccccc3C[C@@H]2C)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000328996679 209155748 /nfs/dbraw/zinc/15/57/48/209155748.db2.gz JLJDXYCWVBKQCA-INIZCTEOSA-N 1 2 392.934 5.948 40 0 GKABLO O=C(OCc1cccc(Cl)c1)[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000072202912 205319103 /nfs/dbraw/zinc/31/91/03/205319103.db2.gz IMNLVZBEGQIVDN-LJQANCHMSA-N 1 2 378.299 5.091 40 0 GKABLO O=C(OCc1cccc(Cl)c1)[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000072202912 205319107 /nfs/dbraw/zinc/31/91/07/205319107.db2.gz IMNLVZBEGQIVDN-LJQANCHMSA-N 1 2 378.299 5.091 40 0 GKABLO Clc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000329008469 206241272 /nfs/dbraw/zinc/24/12/72/206241272.db2.gz LQRRRROZGOWANY-UHFFFAOYSA-N 1 2 399.325 5.392 40 0 GKABLO c1ccc(C2=CN(C3CCCCC3)[C@@](c3ccccc3)(C3CCCCC3)C=[NH+]2)cc1 ZINC000001731071 206390101 /nfs/dbraw/zinc/39/01/01/206390101.db2.gz XORWRQKTZMGINU-NDEPHWFRSA-N 1 2 398.594 7.180 40 0 GKABLO O=C(C[C@@H](C(=O)c1ccc(Cl)cc1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000090486430 211187622 /nfs/dbraw/zinc/18/76/22/211187622.db2.gz MHMXHYMUQLTINC-IBGZPJMESA-N 1 2 390.310 5.304 40 0 GKABLO CCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757838 207078927 /nfs/dbraw/zinc/07/89/27/207078927.db2.gz NHNYUBUMMPZMNN-UHFFFAOYSA-N 1 2 379.916 6.243 40 0 GKABLO Clc1ccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)cc1 ZINC000019376476 207120670 /nfs/dbraw/zinc/12/06/70/207120670.db2.gz QPLUZHOEYMRRML-IBGZPJMESA-N 1 2 390.874 5.275 40 0 GKABLO Clc1ccc(C[N@H+]2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)cc1 ZINC000019376476 207120674 /nfs/dbraw/zinc/12/06/74/207120674.db2.gz QPLUZHOEYMRRML-IBGZPJMESA-N 1 2 390.874 5.275 40 0 GKABLO Cc1ccc(-c2ncc(C[N@H+](Cc3ccccc3)Cc3cccc(C)n3)cn2)cc1 ZINC000019662990 207147401 /nfs/dbraw/zinc/14/74/01/207147401.db2.gz NNRAAVQIFLJNEG-UHFFFAOYSA-N 1 2 394.522 5.358 40 0 GKABLO Cc1ccc(-c2ncc(C[N@@H+](Cc3ccccc3)Cc3cccc(C)n3)cn2)cc1 ZINC000019662990 207147405 /nfs/dbraw/zinc/14/74/05/207147405.db2.gz NNRAAVQIFLJNEG-UHFFFAOYSA-N 1 2 394.522 5.358 40 0 GKABLO Fc1cccc(-c2nc3c(s2)C[N@H+](Cc2cnn(C4CCCCC4)c2)CC3)c1 ZINC000019719849 207155972 /nfs/dbraw/zinc/15/59/72/207155972.db2.gz AMDADRODSJQMKW-UHFFFAOYSA-N 1 2 396.535 5.209 40 0 GKABLO Fc1cccc(-c2nc3c(s2)C[N@@H+](Cc2cnn(C4CCCCC4)c2)CC3)c1 ZINC000019719849 207155977 /nfs/dbraw/zinc/15/59/77/207155977.db2.gz AMDADRODSJQMKW-UHFFFAOYSA-N 1 2 396.535 5.209 40 0 GKABLO C[C@@H]1C[N@H+](Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563858 221272713 /nfs/dbraw/zinc/27/27/13/221272713.db2.gz VWOLUIXUCLUBEE-HXUWFJFHSA-N 1 2 394.518 5.609 40 0 GKABLO C[C@@H]1C[N@@H+](Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563858 221272716 /nfs/dbraw/zinc/27/27/16/221272716.db2.gz VWOLUIXUCLUBEE-HXUWFJFHSA-N 1 2 394.518 5.609 40 0 GKABLO COc1ccc(/C(Cl)=C(/CNc2cccc[nH+]2)c2ccccc2)cc1OC ZINC000016958727 221374409 /nfs/dbraw/zinc/37/44/09/221374409.db2.gz NRLLCNUTLMMOLE-RELWKKBWSA-N 1 2 380.875 5.318 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)cc1 ZINC000219862425 136204353 /nfs/dbraw/zinc/20/43/53/136204353.db2.gz UUMFVKMFOXPMCF-UHFFFAOYSA-N 1 2 398.506 5.081 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)NCCCc3ccc(C(C)C)cc3)CC2)cc1 ZINC000219866981 136204401 /nfs/dbraw/zinc/20/44/01/136204401.db2.gz PCMBTVSNKILAMZ-UHFFFAOYSA-N 1 2 378.560 5.084 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000219859374 136204405 /nfs/dbraw/zinc/20/44/05/136204405.db2.gz GNDDHNNLKUABLV-UHFFFAOYSA-N 1 2 384.523 5.117 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000219860648 136204491 /nfs/dbraw/zinc/20/44/91/136204491.db2.gz CXPWONYOSBAALK-IBGZPJMESA-N 1 2 378.560 5.386 40 0 GKABLO Cc1cc2[nH+]cn([C@H](C(=O)Nc3ccc(Cl)cc3)c3ccccc3)c2cc1C ZINC000408733980 534138662 /nfs/dbraw/zinc/13/86/62/534138662.db2.gz AHSOCTSFPLJMMW-QFIPXVFZSA-N 1 2 389.886 5.535 40 0 GKABLO Cc1[nH]c2ccccc2c1C(=O)OS[C@H]1NC(C)=[NH+]c2sc3c(c21)CCC3 ZINC000096305964 570228554 /nfs/dbraw/zinc/22/85/54/570228554.db2.gz UBHZXEQYQFHHAL-LJQANCHMSA-N 1 2 397.525 5.183 40 0 GKABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214048 570314126 /nfs/dbraw/zinc/31/41/26/570314126.db2.gz YVFULEQFUMFSHI-JOCHJYFZSA-N 1 2 393.531 5.690 40 0 GKABLO CC(C)N(c1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1)C(C)C ZINC000072213011 570314141 /nfs/dbraw/zinc/31/41/41/570314141.db2.gz ICVIDCGRDMHIDJ-NRFANRHFSA-N 1 2 381.520 5.179 40 0 GKABLO CC(C)N(c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1)C(C)C ZINC000072212952 570314288 /nfs/dbraw/zinc/31/42/88/570314288.db2.gz OBTVJXGYGITIRY-OAQYLSRUSA-N 1 2 381.520 5.179 40 0 GKABLO Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072219190 570318281 /nfs/dbraw/zinc/31/82/81/570318281.db2.gz QUKPQLHCUVOQDH-QFIPXVFZSA-N 1 2 393.531 5.244 40 0 GKABLO COc1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2cc[nH+]c2)cc1 ZINC000005386709 570436984 /nfs/dbraw/zinc/43/69/84/570436984.db2.gz WBFVIIVIUZZHPZ-JOCHJYFZSA-N 1 2 392.543 5.830 40 0 GKABLO COc1ccc(C[C@]2(C)Nc3ccc(Cl)cc3[C@@H](c3ccccc3)[NH2+]2)cc1 ZINC000006795850 570438801 /nfs/dbraw/zinc/43/88/01/570438801.db2.gz DCAPFEPXFYKQPL-DHIUTWEWSA-N 1 2 378.903 5.412 40 0 GKABLO O=C(Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1)C12CC3CC(CC(C3)C1)C2 ZINC000006694675 570488132 /nfs/dbraw/zinc/48/81/32/570488132.db2.gz HBTQQQFPYRBGTE-UHFFFAOYSA-N 1 2 385.511 5.309 40 0 GKABLO Cc1cc(C)cc(C[C@@H](c2[nH]c3ccccc3[nH+]2)[C@@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001088589 570537438 /nfs/dbraw/zinc/53/74/38/570537438.db2.gz PZKBICFOWSJNQL-UYAOXDASSA-N 1 2 394.522 6.186 40 0 GKABLO Cc1cc(C)cc(C[C@@H](c2[nH]c3ccccc3[nH+]2)[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001088591 570537541 /nfs/dbraw/zinc/53/75/41/570537541.db2.gz PZKBICFOWSJNQL-AZUAARDMSA-N 1 2 394.522 6.186 40 0 GKABLO Cc1ccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1C ZINC000001350120 570572888 /nfs/dbraw/zinc/57/28/88/570572888.db2.gz OWLYAHFRWQXFCJ-SFHVURJKSA-N 1 2 392.572 5.373 40 0 GKABLO Cc1ccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000004858914 570639413 /nfs/dbraw/zinc/63/94/13/570639413.db2.gz GFNCYNZAWOSCRG-QGZVFWFLSA-N 1 2 378.545 5.065 40 0 GKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(CSc2ccccc2)cc1 ZINC000044904177 570641324 /nfs/dbraw/zinc/64/13/24/570641324.db2.gz ILSOAGFMDIQTJF-UHFFFAOYSA-N 1 2 399.519 5.095 40 0 GKABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=S)Nc4ccc(Cl)cc4)C3)[nH+]c2cc1C ZINC000004967254 570654289 /nfs/dbraw/zinc/65/42/89/570654289.db2.gz ITNJBPRIBWKBFB-OAHLLOKOSA-N 1 2 398.963 5.410 40 0 GKABLO CC[NH+](CC)Cc1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn12 ZINC000071260537 570831796 /nfs/dbraw/zinc/83/17/96/570831796.db2.gz FBDKBUCKZJYQOW-UHFFFAOYSA-N 1 2 399.608 5.290 40 0 GKABLO Cc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@H](c1ccccc1)O3 ZINC000013563886 570852093 /nfs/dbraw/zinc/85/20/93/570852093.db2.gz LVIJEXRZBOKXRN-RUZDIDTESA-N 1 2 380.491 5.679 40 0 GKABLO Cc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@H](c1ccccc1)O3 ZINC000013563886 570852096 /nfs/dbraw/zinc/85/20/96/570852096.db2.gz LVIJEXRZBOKXRN-RUZDIDTESA-N 1 2 380.491 5.679 40 0 GKABLO COc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@@H](c1ccccc1)O3 ZINC000013563997 570852454 /nfs/dbraw/zinc/85/24/54/570852454.db2.gz JSKFPFQVFGGABL-VWLOTQADSA-N 1 2 396.490 5.379 40 0 GKABLO COc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@@H](c1ccccc1)O3 ZINC000013563997 570852456 /nfs/dbraw/zinc/85/24/56/570852456.db2.gz JSKFPFQVFGGABL-VWLOTQADSA-N 1 2 396.490 5.379 40 0 GKABLO CCCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757700 570933172 /nfs/dbraw/zinc/93/31/72/570933172.db2.gz AFNJRLFOYDZMMG-UHFFFAOYSA-N 1 2 387.552 6.678 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2Cl)c1C ZINC000019558087 210263446 /nfs/dbraw/zinc/26/34/46/210263446.db2.gz KFXRINZZPOXICE-INIZCTEOSA-N 1 2 391.302 5.325 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2Cl)c1C ZINC000019558087 210263447 /nfs/dbraw/zinc/26/34/47/210263447.db2.gz KFXRINZZPOXICE-INIZCTEOSA-N 1 2 391.302 5.325 40 0 GKABLO O=C(c1cc2c(ccc3ccccc23)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408631080 231090257 /nfs/dbraw/zinc/09/02/57/231090257.db2.gz ZSUCYZPPTWPCSW-RMKNXTFCSA-N 1 2 396.490 5.057 40 0 GKABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2Cl)on1 ZINC000019120935 210226935 /nfs/dbraw/zinc/22/69/35/210226935.db2.gz ZZBUPZDIWHWZPW-MRXNPFEDSA-N 1 2 391.302 5.407 40 0 GKABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2Cl)on1 ZINC000019120935 210226939 /nfs/dbraw/zinc/22/69/39/210226939.db2.gz ZZBUPZDIWHWZPW-MRXNPFEDSA-N 1 2 391.302 5.407 40 0 GKABLO c1c(-c2ccccc2)c2c(nc[nH+]c2SCc2ccccc2)n1-c1ccccc1 ZINC000016757567 210197582 /nfs/dbraw/zinc/19/75/82/210197582.db2.gz YVSCIFFFVHUFPL-UHFFFAOYSA-N 1 2 393.515 6.380 40 0 GKABLO Cc1ccc2cc3c(nc2c1)O[C@@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563752 210069572 /nfs/dbraw/zinc/06/95/72/210069572.db2.gz ZBANGBXMICXBAU-RUZDIDTESA-N 1 2 380.491 5.679 40 0 GKABLO Cc1ccc2cc3c(nc2c1)O[C@@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563752 210069575 /nfs/dbraw/zinc/06/95/75/210069575.db2.gz ZBANGBXMICXBAU-RUZDIDTESA-N 1 2 380.491 5.679 40 0 GKABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329049100 212094703 /nfs/dbraw/zinc/09/47/03/212094703.db2.gz UOMRFHJFRIQHNW-ZDUSSCGKSA-N 1 2 387.314 5.248 40 0 GKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000329008475 212093251 /nfs/dbraw/zinc/09/32/51/212093251.db2.gz LQUXKMVGIPWPQR-UHFFFAOYSA-N 1 2 378.907 5.047 40 0 GKABLO Cc1cc(C2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)CC2)cc[nH+]1 ZINC000257252122 212010785 /nfs/dbraw/zinc/01/07/85/212010785.db2.gz JTQCEWYSXPDNQV-UHFFFAOYSA-N 1 2 386.495 5.135 40 0 GKABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329049558 209159137 /nfs/dbraw/zinc/15/91/37/209159137.db2.gz UQCMTEJBQQQQCI-CYBMUJFWSA-N 1 2 387.314 5.248 40 0 GKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)ccc1C(C)C ZINC000328983330 209156058 /nfs/dbraw/zinc/15/60/58/209156058.db2.gz HGRDTAJRWGJRSB-UHFFFAOYSA-N 1 2 386.543 6.095 40 0 GKABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328979213 209153994 /nfs/dbraw/zinc/15/39/94/209153994.db2.gz GEXHBTFTKWLJCN-UHFFFAOYSA-N 1 2 386.543 5.346 40 0 GKABLO Cc1ccc(C(=O)CN(c2ccc(Br)cc2)C2=[NH+]CCCCC2)cc1 ZINC000008411374 209133310 /nfs/dbraw/zinc/13/33/10/209133310.db2.gz FQGBNCYMVPPJBS-UHFFFAOYSA-N 1 2 399.332 5.419 40 0 GKABLO C[C@@H]1CC[NH+]=C(N(CC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000007277321 209129569 /nfs/dbraw/zinc/12/95/69/209129569.db2.gz CNJJSYUAOHWRKQ-HNNXBMFYSA-N 1 2 389.326 5.901 40 0 GKABLO CCOc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)cc(N)[nH+]2)cc1 ZINC000049468063 205128215 /nfs/dbraw/zinc/12/82/15/205128215.db2.gz ICRYLOCDLYTGOW-UHFFFAOYSA-N 1 2 375.259 5.175 40 0 GKABLO CCOc1ccc(-c2nc(N)cc(Nc3cc(Cl)cc(Cl)c3)[nH+]2)cc1 ZINC000049468063 205128219 /nfs/dbraw/zinc/12/82/19/205128219.db2.gz ICRYLOCDLYTGOW-UHFFFAOYSA-N 1 2 375.259 5.175 40 0 GKABLO Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329061675 206244255 /nfs/dbraw/zinc/24/42/55/206244255.db2.gz WSMJXLOPSRTSMX-UHFFFAOYSA-N 1 2 378.907 5.047 40 0 GKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000328996680 206239754 /nfs/dbraw/zinc/23/97/54/206239754.db2.gz JLJDXYCWVBKQCA-MRXNPFEDSA-N 1 2 392.934 5.948 40 0 GKABLO CC(C)c1nc(N2Cc3ccccc3C[C@H]2C)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000328996680 206239757 /nfs/dbraw/zinc/23/97/57/206239757.db2.gz JLJDXYCWVBKQCA-MRXNPFEDSA-N 1 2 392.934 5.948 40 0 GKABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC(C)(C)C)n1 ZINC000328978403 206240101 /nfs/dbraw/zinc/24/01/01/206240101.db2.gz FYSUCOQOYIQNAV-UHFFFAOYSA-N 1 2 380.923 5.790 40 0 GKABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329023941 206240394 /nfs/dbraw/zinc/24/03/94/206240394.db2.gz OWNGTPZLXUZYHE-UHFFFAOYSA-N 1 2 390.453 5.013 40 0 GKABLO CC[C@H](C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329030745 206242857 /nfs/dbraw/zinc/24/28/57/206242857.db2.gz QFTLFZLQYJZTAY-ZDUSSCGKSA-N 1 2 387.314 5.248 40 0 GKABLO CC(C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757909 207079013 /nfs/dbraw/zinc/07/90/13/207079013.db2.gz KLFREICKFMOQCI-UHFFFAOYSA-N 1 2 379.916 6.241 40 0 GKABLO Cc1cc(NC(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)cc[nH+]1 ZINC000096155529 208277867 /nfs/dbraw/zinc/27/78/67/208277867.db2.gz PGMNCLFTECHDED-UHFFFAOYSA-N 1 2 394.434 5.217 40 0 GKABLO Cc1cccc2cc3c(nc12)O[C@@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563884 221273252 /nfs/dbraw/zinc/27/32/52/221273252.db2.gz KUMFVXMMMKWOLG-XMMPIXPASA-N 1 2 380.491 5.679 40 0 GKABLO Cc1cccc2cc3c(nc12)O[C@@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563884 221273253 /nfs/dbraw/zinc/27/32/53/221273253.db2.gz KUMFVXMMMKWOLG-XMMPIXPASA-N 1 2 380.491 5.679 40 0 GKABLO CC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757697 221370462 /nfs/dbraw/zinc/37/04/62/221370462.db2.gz ZQLFCKIZPXWUBT-KRWDZBQOSA-N 1 2 387.508 5.466 40 0 GKABLO CCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757906 221370863 /nfs/dbraw/zinc/37/08/63/221370863.db2.gz ZQYJLIOXXVADPH-UHFFFAOYSA-N 1 2 393.943 6.633 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[NH+]1CCC(C)CC1 ZINC000226329721 136192540 /nfs/dbraw/zinc/19/25/40/136192540.db2.gz HONPRHQYEFEAOB-UHFFFAOYSA-N 1 2 379.548 5.363 40 0 GKABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000226255102 136192542 /nfs/dbraw/zinc/19/25/42/136192542.db2.gz NUASEDJGFQPZCA-GFCCVEGCSA-N 1 2 378.303 5.207 40 0 GKABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000226255102 136192543 /nfs/dbraw/zinc/19/25/43/136192543.db2.gz NUASEDJGFQPZCA-GFCCVEGCSA-N 1 2 378.303 5.207 40 0 GKABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226254534 136192593 /nfs/dbraw/zinc/19/25/93/136192593.db2.gz YIYFYZUSNJGOJS-SFHVURJKSA-N 1 2 385.511 5.567 40 0 GKABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226254534 136192594 /nfs/dbraw/zinc/19/25/94/136192594.db2.gz YIYFYZUSNJGOJS-SFHVURJKSA-N 1 2 385.511 5.567 40 0 GKABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000226254933 136192636 /nfs/dbraw/zinc/19/26/36/136192636.db2.gz RIIXMFZSEVFUAR-UHFFFAOYSA-N 1 2 378.303 5.064 40 0 GKABLO Nc1ccc([NH+]2CCCCC2)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000226324508 136192683 /nfs/dbraw/zinc/19/26/83/136192683.db2.gz AKZOQRIQKIXIFD-UHFFFAOYSA-N 1 2 398.721 5.472 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[N@H+]1CCCC[C@@H]1C ZINC000226330866 136192836 /nfs/dbraw/zinc/19/28/36/136192836.db2.gz MNGHKALQJXXVBG-ZDUSSCGKSA-N 1 2 392.330 5.515 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[N@@H+]1CCCC[C@@H]1C ZINC000226330866 136192837 /nfs/dbraw/zinc/19/28/37/136192837.db2.gz MNGHKALQJXXVBG-ZDUSSCGKSA-N 1 2 392.330 5.515 40 0 GKABLO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377613 222243869 /nfs/dbraw/zinc/24/38/69/222243869.db2.gz REQPZJCIRAWBAE-KRWDZBQOSA-N 1 2 385.924 5.057 40 0 GKABLO Clc1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 ZINC000072377613 222243873 /nfs/dbraw/zinc/24/38/73/222243873.db2.gz REQPZJCIRAWBAE-KRWDZBQOSA-N 1 2 385.924 5.057 40 0 GKABLO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219863938 536912299 /nfs/dbraw/zinc/91/22/99/536912299.db2.gz QIDPZWXKGOGHPO-DEOSSOPVSA-N 1 2 394.559 5.124 40 0 GKABLO Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCC4)C=C3C)[nH]c21 ZINC000072320968 560076964 /nfs/dbraw/zinc/07/69/64/560076964.db2.gz UWCQAHFTQZVRDO-ACRUOGEOSA-N 1 2 393.575 5.185 40 0 biogenic,in-vitro GKABLO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCC4)C=C3C)[nH+]c21 ZINC000072320968 560076965 /nfs/dbraw/zinc/07/69/65/560076965.db2.gz UWCQAHFTQZVRDO-ACRUOGEOSA-N 1 2 393.575 5.185 40 0 biogenic,in-vitro GKABLO Cc1[nH]c2ccccc2c1C(=O)OS[C@@H]1NC(C)=[NH+]c2sc3c(c21)CCC3 ZINC000096305965 570228233 /nfs/dbraw/zinc/22/82/33/570228233.db2.gz UBHZXEQYQFHHAL-IBGZPJMESA-N 1 2 397.525 5.183 40 0 GKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1SCc1ccccc1 ZINC000020494373 570263744 /nfs/dbraw/zinc/26/37/44/570263744.db2.gz MAEPIVNMFRNCDB-UHFFFAOYSA-N 1 2 399.519 5.095 40 0 GKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000216400876 570300930 /nfs/dbraw/zinc/30/09/30/570300930.db2.gz FDGRHKRYZCKPIH-UHFFFAOYSA-N 1 2 399.519 5.095 40 0 GKABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213989 570314101 /nfs/dbraw/zinc/31/41/01/570314101.db2.gz VMDFJSJKIQRZEE-NRFANRHFSA-N 1 2 379.504 5.300 40 0 GKABLO CC(C)N(c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1)C(C)C ZINC000072212987 570314281 /nfs/dbraw/zinc/31/42/81/570314281.db2.gz YLKFREFPCCGYRR-JOCHJYFZSA-N 1 2 395.547 5.569 40 0 GKABLO Cc1cccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000004858911 570412910 /nfs/dbraw/zinc/41/29/10/570412910.db2.gz WHCSZVPJXPNJKT-KRWDZBQOSA-N 1 2 378.545 5.065 40 0 GKABLO Brc1ccc2[nH+]c(-c3cccs3)c(NC3CCCCC3)n2c1 ZINC000000904313 570515047 /nfs/dbraw/zinc/51/50/47/570515047.db2.gz KMWUZPUNMRMZHP-UHFFFAOYSA-N 1 2 376.323 5.570 40 0 GKABLO Cc1ccc(NC(=S)N2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)c(C)c1 ZINC000001327002 570567205 /nfs/dbraw/zinc/56/72/05/570567205.db2.gz KMMYCHIEURNMKW-UHFFFAOYSA-N 1 2 392.572 5.373 40 0 GKABLO Cc1cccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1C ZINC000001350105 570572905 /nfs/dbraw/zinc/57/29/05/570572905.db2.gz AXKZFUZQDRVIBT-SFHVURJKSA-N 1 2 392.572 5.373 40 0 GKABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=O)Nc4cccc(Cl)c4)C3)[nH+]c2cc1C ZINC000001350329 570573087 /nfs/dbraw/zinc/57/30/87/570573087.db2.gz RUTQLJRUJWLZKA-OAHLLOKOSA-N 1 2 382.895 5.245 40 0 GKABLO Cc1ccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c(C)c1 ZINC000004858916 570639355 /nfs/dbraw/zinc/63/93/55/570639355.db2.gz SSEXGKBLQCVGHG-GOSISDBHSA-N 1 2 392.572 5.373 40 0 GKABLO C[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S ZINC000059474388 570657212 /nfs/dbraw/zinc/65/72/12/570657212.db2.gz WPFSGKKRNVBOIW-INIZCTEOSA-N 1 2 398.963 5.556 40 0 GKABLO C[C@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S ZINC000059474388 570657218 /nfs/dbraw/zinc/65/72/18/570657218.db2.gz WPFSGKKRNVBOIW-INIZCTEOSA-N 1 2 398.963 5.556 40 0 GKABLO COc1nc2cc(C)ccc2cc1C[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569760 570850694 /nfs/dbraw/zinc/85/06/94/570850694.db2.gz SLSLGEUBAOJRBH-UHFFFAOYSA-N 1 2 389.524 5.211 40 0 GKABLO COc1nc2cc(C)ccc2cc1C[N@@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569760 570850696 /nfs/dbraw/zinc/85/06/96/570850696.db2.gz SLSLGEUBAOJRBH-UHFFFAOYSA-N 1 2 389.524 5.211 40 0 GKABLO COc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@H](c1ccccc1)O3 ZINC000013563996 570852121 /nfs/dbraw/zinc/85/21/21/570852121.db2.gz JSKFPFQVFGGABL-RUZDIDTESA-N 1 2 396.490 5.379 40 0 GKABLO COc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@H](c1ccccc1)O3 ZINC000013563996 570852126 /nfs/dbraw/zinc/85/21/26/570852126.db2.gz JSKFPFQVFGGABL-RUZDIDTESA-N 1 2 396.490 5.379 40 0 GKABLO Cc1cc(Cl)ccc1[C@H](Cn1cc[nH+]c1)OCc1ccc(Cl)cc1Cl ZINC000390822801 570953732 /nfs/dbraw/zinc/95/37/32/570953732.db2.gz KDKSPCVSPMJRCP-IBGZPJMESA-N 1 2 395.717 6.110 40 0 GKABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c(Cl)c1 ZINC000329062383 231047720 /nfs/dbraw/zinc/04/77/20/231047720.db2.gz WXCVGWMJOWMFRS-UHFFFAOYSA-N 1 2 396.897 5.268 40 0 GKABLO CC(C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757814 210196611 /nfs/dbraw/zinc/19/66/11/210196611.db2.gz IKEVYTVAKNEYEC-UHFFFAOYSA-N 1 2 379.916 6.241 40 0 GKABLO CC[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757876 210196209 /nfs/dbraw/zinc/19/62/09/210196209.db2.gz HGISMPCENRKAHW-HNNXBMFYSA-N 1 2 393.943 6.632 40 0 GKABLO Cc1nn(-c2ccccc2)c(Nc2ccc([NH+](C)C)cc2)c1C(=O)c1ccccc1 ZINC000016249341 210186547 /nfs/dbraw/zinc/18/65/47/210186547.db2.gz JUMUWCLQPZYLDG-UHFFFAOYSA-N 1 2 396.494 5.221 40 0 GKABLO Cc1nc(N2Cc3ccccc3CC2(C)C)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329005953 212092281 /nfs/dbraw/zinc/09/22/81/212092281.db2.gz LBGWREDBYNSDDS-UHFFFAOYSA-N 1 2 378.907 5.523 40 0 GKABLO Cc1nc(Nc2cccc(Cl)c2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329005953 212092284 /nfs/dbraw/zinc/09/22/84/212092284.db2.gz LBGWREDBYNSDDS-UHFFFAOYSA-N 1 2 378.907 5.523 40 0 GKABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328996012 212092069 /nfs/dbraw/zinc/09/20/69/212092069.db2.gz JJZLRNPNIHFADZ-CYBMUJFWSA-N 1 2 387.314 5.248 40 0 GKABLO Cc1ccc(C(=O)CN(c2cccc(C(F)(F)F)c2)C2=[NH+]CCCCC2)cc1 ZINC000008411426 212074310 /nfs/dbraw/zinc/07/43/10/212074310.db2.gz RYHWFRQFEHMSGF-UHFFFAOYSA-N 1 2 388.433 5.676 40 0 GKABLO COc1ccc(C[C@@]2(C)Nc3ccc(Cl)cc3[C@H](c3ccccc3)[NH2+]2)cc1 ZINC000006795230 204207522 /nfs/dbraw/zinc/20/75/22/204207522.db2.gz DCAPFEPXFYKQPL-GOTSBHOMSA-N 1 2 378.903 5.412 40 0 GKABLO Clc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329034338 209157646 /nfs/dbraw/zinc/15/76/46/209157646.db2.gz QYDQMIQPUPCGQH-UHFFFAOYSA-N 1 2 376.891 5.314 40 0 GKABLO Clc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329034338 209157651 /nfs/dbraw/zinc/15/76/51/209157651.db2.gz QYDQMIQPUPCGQH-UHFFFAOYSA-N 1 2 376.891 5.314 40 0 GKABLO Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329007219 209155352 /nfs/dbraw/zinc/15/53/52/209155352.db2.gz LJEZFZRAOUGYHS-UHFFFAOYSA-N 1 2 378.907 5.480 40 0 GKABLO c1cc(-c2nnc([C@H]3CCCC[N@H+]3Cc3ccc4ccccc4n3)o2)cs1 ZINC000072390153 205340996 /nfs/dbraw/zinc/34/09/96/205340996.db2.gz QGDAGBGGISSVAU-LJQANCHMSA-N 1 2 376.485 5.074 40 0 GKABLO c1cc(-c2nnc([C@H]3CCCC[N@@H+]3Cc3ccc4ccccc4n3)o2)cs1 ZINC000072390153 205340999 /nfs/dbraw/zinc/34/09/99/205340999.db2.gz QGDAGBGGISSVAU-LJQANCHMSA-N 1 2 376.485 5.074 40 0 GKABLO Cc1cc(C)cc(NC(=O)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000001350218 206373756 /nfs/dbraw/zinc/37/37/56/206373756.db2.gz FDHQWJPWVGEKRI-GOSISDBHSA-N 1 2 376.504 5.208 40 0 GKABLO CCCCc1ccc(Nc2c(C(=O)OCC)c[nH+]c3cc4c(cc32)OCO4)cc1 ZINC000001586148 206387521 /nfs/dbraw/zinc/38/75/21/206387521.db2.gz PXNSWCDFYKRJMP-UHFFFAOYSA-N 1 2 392.455 5.226 40 0 GKABLO Cc1cc2cc3c(nc2cc1C)O[C@@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563891 221273079 /nfs/dbraw/zinc/27/30/79/221273079.db2.gz VSKFMQKTBDESEK-AREMUKBSSA-N 1 2 394.518 5.988 40 0 GKABLO Cc1cc2cc3c(nc2cc1C)O[C@@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563891 221273080 /nfs/dbraw/zinc/27/30/80/221273080.db2.gz VSKFMQKTBDESEK-AREMUKBSSA-N 1 2 394.518 5.988 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC000219853045 136204378 /nfs/dbraw/zinc/20/43/78/136204378.db2.gz KTKVPHOSXSLDFM-UHFFFAOYSA-N 1 2 396.840 5.522 40 0 GKABLO CC(C)N(c1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1)C(C)C ZINC000072213012 570314116 /nfs/dbraw/zinc/31/41/16/570314116.db2.gz ICVIDCGRDMHIDJ-OAQYLSRUSA-N 1 2 381.520 5.179 40 0 GKABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213988 570314240 /nfs/dbraw/zinc/31/42/40/570314240.db2.gz VMDFJSJKIQRZEE-OAQYLSRUSA-N 1 2 379.504 5.300 40 0 GKABLO CC(C)c1ccc([C@@H]2[NH2+][C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716518 570505776 /nfs/dbraw/zinc/50/57/76/570505776.db2.gz TUXRCHBIEIWHFD-KAYWLYCHSA-N 1 2 379.503 6.733 40 0 GKABLO C[C@H]1C[C@@H](N2C[N@@H+]([C@@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378958 570564098 /nfs/dbraw/zinc/56/40/98/570564098.db2.gz ODNFMXWLLCNLGE-XMTFNYHQSA-N 1 2 382.683 5.967 40 0 GKABLO C[C@H]1C[C@@H](N2C[N@H+]([C@@H]3C[C@@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378958 570564099 /nfs/dbraw/zinc/56/40/99/570564099.db2.gz ODNFMXWLLCNLGE-XMTFNYHQSA-N 1 2 382.683 5.967 40 0 GKABLO Cc1cc2[nH]c([C@H]3CCCN(C(=O)Nc4cccc(Cl)c4)C3)[nH+]c2cc1C ZINC000001350325 570573078 /nfs/dbraw/zinc/57/30/78/570573078.db2.gz RUTQLJRUJWLZKA-HNNXBMFYSA-N 1 2 382.895 5.245 40 0 GKABLO Brc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000243858558 570716223 /nfs/dbraw/zinc/71/62/23/570716223.db2.gz RHUVMSUJTWRCLG-UHFFFAOYSA-N 1 2 381.277 5.224 40 0 GKABLO COc1cc2c(cc1C[N@H+](Cc1cccs1)Cc1cccnc1)CCCC2 ZINC000013569776 570850740 /nfs/dbraw/zinc/85/07/40/570850740.db2.gz VGNOJPDCJPKVIG-UHFFFAOYSA-N 1 2 378.541 5.233 40 0 GKABLO COc1cc2c(cc1C[N@@H+](Cc1cccs1)Cc1cccnc1)CCCC2 ZINC000013569776 570850744 /nfs/dbraw/zinc/85/07/44/570850744.db2.gz VGNOJPDCJPKVIG-UHFFFAOYSA-N 1 2 378.541 5.233 40 0 GKABLO COc1ccc(C(=O)N2C[N@@H+](C3CCCCC3)Cc3c(C)c(C)sc32)cc1 ZINC000005612020 570897963 /nfs/dbraw/zinc/89/79/63/570897963.db2.gz BYYGHNLQFORUGO-UHFFFAOYSA-N 1 2 384.545 5.126 40 0 GKABLO COc1ccc(C(=O)N2C[N@H+](C3CCCCC3)Cc3c(C)c(C)sc32)cc1 ZINC000005612020 570897968 /nfs/dbraw/zinc/89/79/68/570897968.db2.gz BYYGHNLQFORUGO-UHFFFAOYSA-N 1 2 384.545 5.126 40 0 GKABLO CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757993 210197610 /nfs/dbraw/zinc/19/76/10/210197610.db2.gz UVPSGURWPBYDFK-UHFFFAOYSA-N 1 2 396.313 5.572 40 0 GKABLO Cc1cc(C)cc(NC(=O)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000001350224 212236507 /nfs/dbraw/zinc/23/65/07/212236507.db2.gz FDHQWJPWVGEKRI-SFHVURJKSA-N 1 2 376.504 5.208 40 0 GKABLO CC[C@H](C)Nc1nc(Nc2c(C)ccc(Cl)c2C)cc(-c2ccccc2)[nH+]1 ZINC000329014771 212093237 /nfs/dbraw/zinc/09/32/37/212093237.db2.gz MXYKHNXDWLZOSZ-HNNXBMFYSA-N 1 2 380.923 5.212 40 0 GKABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)ccc1Br ZINC000328997242 212092321 /nfs/dbraw/zinc/09/23/21/212092321.db2.gz JNBLEYRANJADOR-UHFFFAOYSA-N 1 2 375.314 5.379 40 0 GKABLO CC(C)(C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329066280 212095283 /nfs/dbraw/zinc/09/52/83/212095283.db2.gz XYVZEIAIXLWVEA-UHFFFAOYSA-N 1 2 387.314 5.826 40 0 GKABLO Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329058513 212094926 /nfs/dbraw/zinc/09/49/26/212094926.db2.gz WDONROYZZUSFOX-UHFFFAOYSA-N 1 2 392.934 5.356 40 0 GKABLO C[C@H]1CC[NH+]=C(N(CC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000007277006 212071710 /nfs/dbraw/zinc/07/17/10/212071710.db2.gz CNJJSYUAOHWRKQ-OAHLLOKOSA-N 1 2 389.326 5.901 40 0 GKABLO CC(C)(C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328988988 209156309 /nfs/dbraw/zinc/15/63/09/209156309.db2.gz IHEPSYPYTZTSOX-UHFFFAOYSA-N 1 2 384.430 5.699 40 0 GKABLO C[C@H]1C[C@@H](N2C[N@@H+]([C@H]3C[C@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378956 205015438 /nfs/dbraw/zinc/01/54/38/205015438.db2.gz ODNFMXWLLCNLGE-XLAORIBOSA-N 1 2 382.683 5.967 40 0 GKABLO C[C@H]1C[C@@H](N2C[N@H+]([C@H]3C[C@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378956 205015441 /nfs/dbraw/zinc/01/54/41/205015441.db2.gz ODNFMXWLLCNLGE-XLAORIBOSA-N 1 2 382.683 5.967 40 0 GKABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000328998573 206241170 /nfs/dbraw/zinc/24/11/70/206241170.db2.gz JSZULDXOZRGUJN-UHFFFAOYSA-N 1 2 380.414 5.515 40 0 GKABLO Cn1ncc2c1nc(NC(C)(C)CC(C)(C)C)[nH+]c2NC(C)(C)CC(C)(C)C ZINC000001562391 206386220 /nfs/dbraw/zinc/38/62/20/206386220.db2.gz GQDXRRPEQUZKIV-UHFFFAOYSA-N 1 2 388.604 5.617 40 0 GKABLO O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038851473 210759387 /nfs/dbraw/zinc/75/93/87/210759387.db2.gz CJJNIFMUGLHYKV-UHFFFAOYSA-N 1 2 399.519 5.476 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019558071 207133725 /nfs/dbraw/zinc/13/37/25/207133725.db2.gz NKJRTPZSPFRWBP-QGZVFWFLSA-N 1 2 391.302 5.325 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019558071 207133729 /nfs/dbraw/zinc/13/37/29/207133729.db2.gz NKJRTPZSPFRWBP-QGZVFWFLSA-N 1 2 391.302 5.325 40 0 GKABLO Cc1ccccc1NC(=S)N1CCC[C@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000013471834 221269338 /nfs/dbraw/zinc/26/93/38/221269338.db2.gz BAZXEJHKDZWXDK-KRWDZBQOSA-N 1 2 378.545 5.065 40 0 GKABLO Cc1ccc2cc3c(nc2c1C)O[C@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563888 221273300 /nfs/dbraw/zinc/27/33/00/221273300.db2.gz UBCWANBBUFHDOB-VWLOTQADSA-N 1 2 394.518 5.988 40 0 GKABLO Cc1ccc2cc3c(nc2c1C)O[C@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563888 221273302 /nfs/dbraw/zinc/27/33/02/221273302.db2.gz UBCWANBBUFHDOB-VWLOTQADSA-N 1 2 394.518 5.988 40 0 GKABLO CC[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757779 221370405 /nfs/dbraw/zinc/37/04/05/221370405.db2.gz QBYYUGCCEUOLNZ-HNNXBMFYSA-N 1 2 393.943 6.632 40 0 GKABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226254526 136192613 /nfs/dbraw/zinc/19/26/13/136192613.db2.gz YIYFYZUSNJGOJS-GOSISDBHSA-N 1 2 385.511 5.567 40 0 GKABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226254526 136192614 /nfs/dbraw/zinc/19/26/14/136192614.db2.gz YIYFYZUSNJGOJS-GOSISDBHSA-N 1 2 385.511 5.567 40 0 GKABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000226253948 136192680 /nfs/dbraw/zinc/19/26/80/136192680.db2.gz CKLOUGMFRMZGLE-IBGZPJMESA-N 1 2 399.538 5.418 40 0 GKABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000226253948 136192681 /nfs/dbraw/zinc/19/26/81/136192681.db2.gz CKLOUGMFRMZGLE-IBGZPJMESA-N 1 2 399.538 5.418 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@H+]1CCCC[C@H]1C ZINC000226329742 136192689 /nfs/dbraw/zinc/19/26/89/136192689.db2.gz VVSIWASVJIIXKL-QGZVFWFLSA-N 1 2 379.548 5.506 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@@H+]1CCCC[C@H]1C ZINC000226329742 136192690 /nfs/dbraw/zinc/19/26/90/136192690.db2.gz VVSIWASVJIIXKL-QGZVFWFLSA-N 1 2 379.548 5.506 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[NH+]1CCCCC1 ZINC000226330911 136192808 /nfs/dbraw/zinc/19/28/08/136192808.db2.gz XCEGZIQNBNKKJS-UHFFFAOYSA-N 1 2 378.303 5.127 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 ZINC000219858514 136204371 /nfs/dbraw/zinc/20/43/71/136204371.db2.gz YCXMLXGVFALYCE-UHFFFAOYSA-N 1 2 386.495 5.642 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000219862697 136204411 /nfs/dbraw/zinc/20/44/11/136204411.db2.gz CYRVSUMVQMAAJJ-UHFFFAOYSA-N 1 2 378.516 5.172 40 0 GKABLO Cc1cc(Br)ccc1-c1cc2cc(Br)ccc2c(N)[nH+]1 ZINC000095635376 222359213 /nfs/dbraw/zinc/35/92/13/222359213.db2.gz AUIGSHLHPQKZDC-UHFFFAOYSA-N 1 2 392.094 5.317 40 0 GKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1c2ccccc2Sc2ccccc21 ZINC000020107442 570240065 /nfs/dbraw/zinc/24/00/65/570240065.db2.gz LXRPBEQHNLIJSZ-UHFFFAOYSA-N 1 2 398.491 5.385 40 0 GKABLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1c2ccccc2Sc2ccccc21 ZINC000020482146 570261683 /nfs/dbraw/zinc/26/16/83/570261683.db2.gz WCAWKTDOOQTCGE-UHFFFAOYSA-N 1 2 398.491 5.385 40 0 GKABLO CC[C@H]1c2ccccc2[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2[N@H+]1CC ZINC000104265535 570300145 /nfs/dbraw/zinc/30/01/45/570300145.db2.gz JKHFUBAMHRNUSY-GNKBHMEESA-N 1 2 381.523 5.807 40 0 GKABLO CC[C@H]1c2ccccc2[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2[N@@H+]1CC ZINC000104265535 570300148 /nfs/dbraw/zinc/30/01/48/570300148.db2.gz JKHFUBAMHRNUSY-GNKBHMEESA-N 1 2 381.523 5.807 40 0 GKABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214014 570314061 /nfs/dbraw/zinc/31/40/61/570314061.db2.gz CIPBYBLUSSIDPD-NRFANRHFSA-N 1 2 379.504 5.300 40 0 GKABLO Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072219191 570318266 /nfs/dbraw/zinc/31/82/66/570318266.db2.gz QUKPQLHCUVOQDH-JOCHJYFZSA-N 1 2 393.531 5.244 40 0 GKABLO COc1ccc(C[C@]2(C)Nc3ccc(Cl)cc3[C@H](c3ccccc3)[NH2+]2)cc1 ZINC000006795849 570438748 /nfs/dbraw/zinc/43/87/48/570438748.db2.gz DCAPFEPXFYKQPL-XZOQPEGZSA-N 1 2 378.903 5.412 40 0 GKABLO Cc1ccc([C@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)c(C)c1 ZINC000223792776 570484787 /nfs/dbraw/zinc/48/47/87/570484787.db2.gz WBEXQGDLFDRESY-RUZDIDTESA-N 1 2 395.506 5.068 40 0 GKABLO CC[N@H+](CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(C)cc1 ZINC000224982346 570541391 /nfs/dbraw/zinc/54/13/91/570541391.db2.gz BICRDVJPSJZENX-UHFFFAOYSA-N 1 2 386.539 5.237 40 0 GKABLO CC[N@@H+](CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(C)cc1 ZINC000224982346 570541395 /nfs/dbraw/zinc/54/13/95/570541395.db2.gz BICRDVJPSJZENX-UHFFFAOYSA-N 1 2 386.539 5.237 40 0 GKABLO Cc1cccc(NC(=S)N2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)c1C ZINC000001327191 570567172 /nfs/dbraw/zinc/56/71/72/570567172.db2.gz HAUMAADLKOOVJW-UHFFFAOYSA-N 1 2 392.572 5.373 40 0 GKABLO Cc1cccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1C ZINC000001350099 570573006 /nfs/dbraw/zinc/57/30/06/570573006.db2.gz AXKZFUZQDRVIBT-GOSISDBHSA-N 1 2 392.572 5.373 40 0 GKABLO Cc1ccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c(C)c1 ZINC000004858915 570639213 /nfs/dbraw/zinc/63/92/13/570639213.db2.gz SSEXGKBLQCVGHG-SFHVURJKSA-N 1 2 392.572 5.373 40 0 GKABLO CCOc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)cc(N)[nH+]2)cc1 ZINC000049468060 570663308 /nfs/dbraw/zinc/66/33/08/570663308.db2.gz OSPSKTITMHOPNC-UHFFFAOYSA-N 1 2 375.259 5.175 40 0 GKABLO CCOc1ccc(-c2nc(N)cc(Nc3ccc(Cl)c(Cl)c3)[nH+]2)cc1 ZINC000049468060 570663313 /nfs/dbraw/zinc/66/33/13/570663313.db2.gz OSPSKTITMHOPNC-UHFFFAOYSA-N 1 2 375.259 5.175 40 0 GKABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000057796897 570703999 /nfs/dbraw/zinc/70/39/99/570703999.db2.gz PEYGQXSQOILLAA-UHFFFAOYSA-N 1 2 377.438 5.352 40 0 GKABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](Cc1cccnc1)Cc1ccccc1F ZINC000057796897 570704000 /nfs/dbraw/zinc/70/40/00/570704000.db2.gz PEYGQXSQOILLAA-UHFFFAOYSA-N 1 2 377.438 5.352 40 0 GKABLO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000001671904 570716558 /nfs/dbraw/zinc/71/65/58/570716558.db2.gz XVZNZBQFEVWPPN-UHFFFAOYSA-N 1 2 384.306 5.879 40 0 GKABLO Cc1ccc(-c2nn(C[NH+]3CCC(C)CC3)c(=S)n2-c2ccccc2)cc1 ZINC000005394413 570732578 /nfs/dbraw/zinc/73/25/78/570732578.db2.gz NZMKQQBTYUAWGQ-UHFFFAOYSA-N 1 2 378.545 5.068 40 0 GKABLO Cc1nc2ccc(N(C)C)cc2c2c1Cc1c(C)[nH+]c3ccc(N(C)C)cc3c1O2 ZINC000013283732 570752499 /nfs/dbraw/zinc/75/24/99/570752499.db2.gz PIEOUUFNXSDFKB-UHFFFAOYSA-N 1 2 398.510 5.228 40 0 GKABLO Cc1cccc2cc3c(nc12)O[C@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563883 570852477 /nfs/dbraw/zinc/85/24/77/570852477.db2.gz KUMFVXMMMKWOLG-DEOSSOPVSA-N 1 2 380.491 5.679 40 0 GKABLO Cc1cccc2cc3c(nc12)O[C@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563883 570852478 /nfs/dbraw/zinc/85/24/78/570852478.db2.gz KUMFVXMMMKWOLG-DEOSSOPVSA-N 1 2 380.491 5.679 40 0 GKABLO CC(=O)C[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757634 570932884 /nfs/dbraw/zinc/93/28/84/570932884.db2.gz DGKMEKMAMZCKEC-QGZVFWFLSA-N 1 2 387.508 5.547 40 0 GKABLO CC(=O)C[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757632 570932989 /nfs/dbraw/zinc/93/29/89/570932989.db2.gz DGKMEKMAMZCKEC-KRWDZBQOSA-N 1 2 387.508 5.547 40 0 GKABLO CCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758016 570933181 /nfs/dbraw/zinc/93/31/81/570933181.db2.gz YFESXBVZZUJZET-UHFFFAOYSA-N 1 2 393.943 6.551 40 0 GKABLO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329062843 231047695 /nfs/dbraw/zinc/04/76/95/231047695.db2.gz WZPUEWIDASKHQU-UHFFFAOYSA-N 1 2 392.934 5.437 40 0 GKABLO CCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758018 210197161 /nfs/dbraw/zinc/19/71/61/210197161.db2.gz HOFZNVKXNHMOHU-UHFFFAOYSA-N 1 2 379.916 6.161 40 0 GKABLO COc1cc2ccc(Cc3[nH+]ccc4cc(OC)c(OC)cc43)cc2cc1OC ZINC000001583438 209333523 /nfs/dbraw/zinc/33/35/23/209333523.db2.gz QNVARHMMBYKYEQ-UHFFFAOYSA-N 1 2 389.451 5.013 40 0 GKABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329033705 212093636 /nfs/dbraw/zinc/09/36/36/212093636.db2.gz QUUMUNFEZLHDGX-ZDUSSCGKSA-N 1 2 387.314 5.248 40 0 GKABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c(Cl)c1 ZINC000329027169 212093521 /nfs/dbraw/zinc/09/35/21/212093521.db2.gz PRJMBQQMRGNTAW-UHFFFAOYSA-N 1 2 378.907 5.047 40 0 GKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)ccc1F ZINC000329061300 212095110 /nfs/dbraw/zinc/09/51/10/212095110.db2.gz WQTJVCCCUHTPBP-UHFFFAOYSA-N 1 2 376.479 5.501 40 0 GKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)ccc1Br ZINC000328962581 212090993 /nfs/dbraw/zinc/09/09/93/212090993.db2.gz BJOLEXHBJHRRDR-UHFFFAOYSA-N 1 2 397.320 5.200 40 0 GKABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=S)Nc2cccc(C)c2C)CC1 ZINC000035314253 204166510 /nfs/dbraw/zinc/16/65/10/204166510.db2.gz IWUPCMXTRQHIIH-UHFFFAOYSA-N 1 2 396.535 5.135 40 0 GKABLO CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329061711 209159990 /nfs/dbraw/zinc/15/99/90/209159990.db2.gz WSSGFUWSAQRGHY-AWEZNQCLSA-N 1 2 386.421 5.538 40 0 GKABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c(C)c1 ZINC000329033741 209157832 /nfs/dbraw/zinc/15/78/32/209157832.db2.gz QVOSXDOFIFGIGP-UHFFFAOYSA-N 1 2 386.543 5.401 40 0 GKABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329033704 209157176 /nfs/dbraw/zinc/15/71/76/209157176.db2.gz QUUMUNFEZLHDGX-CYBMUJFWSA-N 1 2 387.314 5.248 40 0 GKABLO FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329001369 209156705 /nfs/dbraw/zinc/15/67/05/209156705.db2.gz KDWPJJISJOGGDB-UHFFFAOYSA-N 1 2 398.432 5.104 40 0 GKABLO CC(C)(C)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328998054 209156008 /nfs/dbraw/zinc/15/60/08/209156008.db2.gz JRTVRBLBQJZSKT-UHFFFAOYSA-N 1 2 386.543 5.961 40 0 GKABLO C[C@H]1Cc2ccccc2CN1c1cc(Nc2cccc(Cl)c2)nc(C2CC2)[nH+]1 ZINC000328978369 209153552 /nfs/dbraw/zinc/15/35/52/209153552.db2.gz FYOJFYODFWHNSO-HNNXBMFYSA-N 1 2 390.918 5.702 40 0 GKABLO C[C@H]1Cc2ccccc2CN1c1cc(Nc2cccc(Cl)c2)[nH+]c(C2CC2)n1 ZINC000328978369 209153554 /nfs/dbraw/zinc/15/35/54/209153554.db2.gz FYOJFYODFWHNSO-HNNXBMFYSA-N 1 2 390.918 5.702 40 0 GKABLO CC(C)(C)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329029103 206241646 /nfs/dbraw/zinc/24/16/46/206241646.db2.gz PXIJACYECOEHGK-UHFFFAOYSA-N 1 2 384.833 5.402 40 0 GKABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329059506 206241948 /nfs/dbraw/zinc/24/19/48/206241948.db2.gz WGYGFGGOVHXNJQ-UHFFFAOYSA-N 1 2 376.426 5.283 40 0 GKABLO Cc1cc(C)cc(C[C@H](c2[nH]c3ccccc3[nH+]2)[C@H](C)c2nc3ccccc3[nH]2)c1 ZINC000001088592 206350952 /nfs/dbraw/zinc/35/09/52/206350952.db2.gz PZKBICFOWSJNQL-ICSRJNTNSA-N 1 2 394.522 6.186 40 0 GKABLO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc1O ZINC000019559740 207135204 /nfs/dbraw/zinc/13/52/04/207135204.db2.gz DNPHDRRYOUEKPT-QGZVFWFLSA-N 1 2 384.501 5.235 40 0 GKABLO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc1O ZINC000019559740 207135207 /nfs/dbraw/zinc/13/52/07/207135207.db2.gz DNPHDRRYOUEKPT-QGZVFWFLSA-N 1 2 384.501 5.235 40 0 GKABLO CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)ccc21 ZINC000030945342 207376803 /nfs/dbraw/zinc/37/68/03/207376803.db2.gz QLGZZZMUNZCORR-UHFFFAOYSA-N 1 2 394.478 5.312 40 0 GKABLO Cc1sc2c(c1C)CN(C1CCCCC1)C(SCC(=O)n1cccc1)=[NH+]2 ZINC000096305963 208305160 /nfs/dbraw/zinc/30/51/60/208305160.db2.gz GULCZRCISBSSCU-UHFFFAOYSA-N 1 2 387.574 5.376 40 0 GKABLO CC1(C)Cc2c(ccc3ccccc32)C[N@@H+]1Cc1ccc(Br)cc1 ZINC000019594079 210275025 /nfs/dbraw/zinc/27/50/25/210275025.db2.gz CGUBFOOQRZOBRT-UHFFFAOYSA-N 1 2 380.329 5.939 40 0 GKABLO CC1(C)Cc2c(ccc3ccccc32)C[N@H+]1Cc1ccc(Br)cc1 ZINC000019594079 210275029 /nfs/dbraw/zinc/27/50/29/210275029.db2.gz CGUBFOOQRZOBRT-UHFFFAOYSA-N 1 2 380.329 5.939 40 0 GKABLO COc1ccc2cc3c(nc2c1)O[C@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563893 208785156 /nfs/dbraw/zinc/78/51/56/208785156.db2.gz QNGZCENLDQRZKV-VWLOTQADSA-N 1 2 396.490 5.379 40 0 GKABLO COc1ccc2cc3c(nc2c1)O[C@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563893 208785159 /nfs/dbraw/zinc/78/51/59/208785159.db2.gz QNGZCENLDQRZKV-VWLOTQADSA-N 1 2 396.490 5.379 40 0 GKABLO Cc1ccc2cc3c(nc2c1C)O[C@@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563889 221273349 /nfs/dbraw/zinc/27/33/49/221273349.db2.gz UBCWANBBUFHDOB-RUZDIDTESA-N 1 2 394.518 5.988 40 0 GKABLO Cc1ccc2cc3c(nc2c1C)O[C@@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563889 221273351 /nfs/dbraw/zinc/27/33/51/221273351.db2.gz UBCWANBBUFHDOB-RUZDIDTESA-N 1 2 394.518 5.988 40 0 GKABLO CCc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@H](c1ccccc1)O3 ZINC000013563895 221273451 /nfs/dbraw/zinc/27/34/51/221273451.db2.gz PGTXPSRZSXHHFR-AREMUKBSSA-N 1 2 394.518 5.933 40 0 GKABLO CCc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@H](c1ccccc1)O3 ZINC000013563895 221273452 /nfs/dbraw/zinc/27/34/52/221273452.db2.gz PGTXPSRZSXHHFR-AREMUKBSSA-N 1 2 394.518 5.933 40 0 GKABLO CCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757738 221370245 /nfs/dbraw/zinc/37/02/45/221370245.db2.gz YLQHATDMLJBFDD-UHFFFAOYSA-N 1 2 379.916 6.243 40 0 GKABLO CC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757696 221370449 /nfs/dbraw/zinc/37/04/49/221370449.db2.gz ZQLFCKIZPXWUBT-QGZVFWFLSA-N 1 2 387.508 5.466 40 0 GKABLO CC(C)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757782 221371082 /nfs/dbraw/zinc/37/10/82/221371082.db2.gz ZMWNPGUKDRXFRY-UHFFFAOYSA-N 1 2 393.943 6.489 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[NH+]1[C@H](C)CCC[C@H]1C ZINC000226329770 136192618 /nfs/dbraw/zinc/19/26/18/136192618.db2.gz RRLCIMQKGHQWOI-QZTJIDSGSA-N 1 2 393.575 5.894 40 0 GKABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000226254902 136192676 /nfs/dbraw/zinc/19/26/76/136192676.db2.gz UZRBEMSBHSPCPT-GFCCVEGCSA-N 1 2 378.303 5.207 40 0 GKABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000226254902 136192677 /nfs/dbraw/zinc/19/26/77/136192677.db2.gz UZRBEMSBHSPCPT-GFCCVEGCSA-N 1 2 378.303 5.207 40 0 GKABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000226255112 136192686 /nfs/dbraw/zinc/19/26/86/136192686.db2.gz NUASEDJGFQPZCA-LBPRGKRZSA-N 1 2 378.303 5.207 40 0 GKABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000226255112 136192687 /nfs/dbraw/zinc/19/26/87/136192687.db2.gz NUASEDJGFQPZCA-LBPRGKRZSA-N 1 2 378.303 5.207 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[NH+]1CCC(C)CC1 ZINC000226330918 136192694 /nfs/dbraw/zinc/19/26/94/136192694.db2.gz VGSCMGFSUNMMNG-UHFFFAOYSA-N 1 2 392.330 5.373 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000219860701 136204481 /nfs/dbraw/zinc/20/44/81/136204481.db2.gz CXPWONYOSBAALK-LJQANCHMSA-N 1 2 378.560 5.386 40 0 GKABLO COc1ccc(CNc2[nH+]c(-c3cccc(C)c3)cc3ccc(N(C)C)cc32)cc1 ZINC000095080596 222329042 /nfs/dbraw/zinc/32/90/42/222329042.db2.gz TZPJOBZNMIFLFF-UHFFFAOYSA-N 1 2 397.522 5.897 40 0 GKABLO Cc1cc2[nH+]cn([C@@H](C(=O)Nc3ccc(Cl)cc3)c3ccccc3)c2cc1C ZINC000408733977 534137619 /nfs/dbraw/zinc/13/76/19/534137619.db2.gz AHSOCTSFPLJMMW-JOCHJYFZSA-N 1 2 389.886 5.535 40 0 GKABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1SCc1ccccc1 ZINC000020492585 570263541 /nfs/dbraw/zinc/26/35/41/570263541.db2.gz GGXXGWAXLPLSPP-UHFFFAOYSA-N 1 2 399.519 5.095 40 0 GKABLO CCc1cccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000002714821 570295757 /nfs/dbraw/zinc/29/57/57/570295757.db2.gz QWPYKVZPQIPICJ-UHFFFAOYSA-N 1 2 390.490 6.394 40 0 GKABLO O=C(OCc1cccc(Cl)c1)[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000072202913 570313058 /nfs/dbraw/zinc/31/30/58/570313058.db2.gz IMNLVZBEGQIVDN-IBGZPJMESA-N 1 2 378.299 5.091 40 0 GKABLO O=C(OCc1cccc(Cl)c1)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000072202913 570313059 /nfs/dbraw/zinc/31/30/59/570313059.db2.gz IMNLVZBEGQIVDN-IBGZPJMESA-N 1 2 378.299 5.091 40 0 GKABLO CC(C)N(c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1)C(C)C ZINC000072212951 570314097 /nfs/dbraw/zinc/31/40/97/570314097.db2.gz OBTVJXGYGITIRY-NRFANRHFSA-N 1 2 381.520 5.179 40 0 GKABLO CC(C)N(c1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(C)C ZINC000072213046 570314295 /nfs/dbraw/zinc/31/42/95/570314295.db2.gz QBBVDYRFCNHHHN-QFIPXVFZSA-N 1 2 395.547 5.569 40 0 GKABLO CC(C)c1ccc([C@@H]2[NH2+][C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716513 570505865 /nfs/dbraw/zinc/50/58/65/570505865.db2.gz TUXRCHBIEIWHFD-RRPNLBNLSA-N 1 2 379.503 6.733 40 0 GKABLO CC[C@H]1c2ccccc2[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2[N@H+]1CC ZINC000032067500 570507683 /nfs/dbraw/zinc/50/76/83/570507683.db2.gz JKHFUBAMHRNUSY-GSLIJJQTSA-N 1 2 381.523 5.807 40 0 GKABLO CC[C@H]1c2ccccc2[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2[N@@H+]1CC ZINC000032067500 570507686 /nfs/dbraw/zinc/50/76/86/570507686.db2.gz JKHFUBAMHRNUSY-GSLIJJQTSA-N 1 2 381.523 5.807 40 0 GKABLO Cc1sc2c(c1C)C[N@@H+](CCc1ccccc1)CN2C(=O)c1ccccc1 ZINC000020193358 570514716 /nfs/dbraw/zinc/51/47/16/570514716.db2.gz SOEOCQVDNIUWMM-UHFFFAOYSA-N 1 2 376.525 5.028 40 0 GKABLO Cc1sc2c(c1C)C[N@H+](CCc1ccccc1)CN2C(=O)c1ccccc1 ZINC000020193358 570514718 /nfs/dbraw/zinc/51/47/18/570514718.db2.gz SOEOCQVDNIUWMM-UHFFFAOYSA-N 1 2 376.525 5.028 40 0 GKABLO Cc1cc2[nH]c(C3CCN(C(=S)Nc4ccccc4Cl)CC3)[nH+]c2cc1C ZINC000001327182 570567153 /nfs/dbraw/zinc/56/71/53/570567153.db2.gz GNQAWEWBYKGZLA-UHFFFAOYSA-N 1 2 398.963 5.410 40 0 GKABLO CCc1ccc(NC(=S)N2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)cc1 ZINC000001327031 570567304 /nfs/dbraw/zinc/56/73/04/570567304.db2.gz ICICLZNKTXDGQF-UHFFFAOYSA-N 1 2 392.572 5.319 40 0 GKABLO Cc1cc(C)cc(NC(=S)N2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)c1 ZINC000001327208 570567316 /nfs/dbraw/zinc/56/73/16/570567316.db2.gz KMHHGFLRGOPRAW-UHFFFAOYSA-N 1 2 392.572 5.373 40 0 GKABLO Cc1cc(C)cc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000001350130 570572873 /nfs/dbraw/zinc/57/28/73/570572873.db2.gz CKZWBOWCTRVAFB-SFHVURJKSA-N 1 2 392.572 5.373 40 0 GKABLO Cc1cccc(C)c1NC(=O)N1CCC[C@@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000001350209 570572960 /nfs/dbraw/zinc/57/29/60/570572960.db2.gz QPYIGMDCESNYNU-GOSISDBHSA-N 1 2 376.504 5.208 40 0 GKABLO Cc1ccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1C ZINC000001350113 570573072 /nfs/dbraw/zinc/57/30/72/570573072.db2.gz OWLYAHFRWQXFCJ-GOSISDBHSA-N 1 2 392.572 5.373 40 0 GKABLO Clc1ccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]3CCCC[N@@H+]32)cc1 ZINC000019329922 570975042 /nfs/dbraw/zinc/97/50/42/570975042.db2.gz LVRGUQOBRYEEEZ-PUHATCMVSA-N 1 2 377.919 5.287 40 0 GKABLO Clc1ccc([C@@H]2N3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]3CCCC[N@H+]32)cc1 ZINC000019329922 570975044 /nfs/dbraw/zinc/97/50/44/570975044.db2.gz LVRGUQOBRYEEEZ-PUHATCMVSA-N 1 2 377.919 5.287 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019558068 571003899 /nfs/dbraw/zinc/00/38/99/571003899.db2.gz NKJRTPZSPFRWBP-KRWDZBQOSA-N 1 2 391.302 5.325 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019558068 571003902 /nfs/dbraw/zinc/00/39/02/571003902.db2.gz NKJRTPZSPFRWBP-KRWDZBQOSA-N 1 2 391.302 5.325 40 0 GKABLO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc1O ZINC000019559742 210263313 /nfs/dbraw/zinc/26/33/13/210263313.db2.gz DNPHDRRYOUEKPT-KRWDZBQOSA-N 1 2 384.501 5.235 40 0 GKABLO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc1O ZINC000019559742 210263307 /nfs/dbraw/zinc/26/33/07/210263307.db2.gz DNPHDRRYOUEKPT-KRWDZBQOSA-N 1 2 384.501 5.235 40 0 GKABLO c1csc([C@@H](Cc2ccsc2)[NH2+]Cc2ccccc2OC2CCCC2)n1 ZINC000019349531 210243287 /nfs/dbraw/zinc/24/32/87/210243287.db2.gz OXKVCGHVTNOMGS-LJQANCHMSA-N 1 2 384.570 5.600 40 0 GKABLO Cc1csc([C@H]2Cc3ccsc3[C@@H](c3ccc(Cl)c(Cl)c3)[NH2+]2)n1 ZINC000019240271 210235654 /nfs/dbraw/zinc/23/56/54/210235654.db2.gz AYIVBQFCFJAHBB-HUUCEWRRSA-N 1 2 381.353 5.796 40 0 GKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SC(C)C)cc1Cl ZINC000016758087 210196650 /nfs/dbraw/zinc/19/66/50/210196650.db2.gz LCPPLVIBWBKVAO-UHFFFAOYSA-N 1 2 393.943 6.550 40 0 GKABLO Fc1ccc(OCC[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000012948592 210036111 /nfs/dbraw/zinc/03/61/11/210036111.db2.gz FHKXBOJPHOEMQO-AWEZNQCLSA-N 1 2 379.262 5.582 40 0 GKABLO CC(=O)Nc1ccc(-c2csc(Nc3cc[nH+]c4cc(Cl)ccc34)n2)cc1 ZINC000001591106 212251050 /nfs/dbraw/zinc/25/10/50/212251050.db2.gz PNBZUMFIWNCIPN-UHFFFAOYSA-N 1 2 394.887 5.714 40 0 GKABLO Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328979630 212091735 /nfs/dbraw/zinc/09/17/35/212091735.db2.gz GIDFYNJAZBCWQH-UHFFFAOYSA-N 1 2 392.934 5.356 40 0 GKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)ccc1Cl ZINC000329070202 209159026 /nfs/dbraw/zinc/15/90/26/209159026.db2.gz ZEQPTKSXVAMYIJ-UHFFFAOYSA-N 1 2 392.934 6.016 40 0 GKABLO Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329057807 209159624 /nfs/dbraw/zinc/15/96/24/209159624.db2.gz VZTDPBGTMQSNLB-UHFFFAOYSA-N 1 2 375.314 5.379 40 0 GKABLO Cc1cc(N2Cc3ccccc3CC2(C)C)nc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329035413 209157025 /nfs/dbraw/zinc/15/70/25/209157025.db2.gz REHBKPSKBSGGBW-UHFFFAOYSA-N 1 2 378.907 5.523 40 0 GKABLO Cc1c(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cccc1C(F)(F)F ZINC000329003407 209155999 /nfs/dbraw/zinc/15/59/99/209155999.db2.gz KMPGZDYHJPLEKP-UHFFFAOYSA-N 1 2 390.453 5.013 40 0 GKABLO CC[C@@H](C)Nc1nc(Nc2c(C)cc(Cl)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000328961596 209154827 /nfs/dbraw/zinc/15/48/27/209154827.db2.gz BEHRMTLHQRIURP-MRXNPFEDSA-N 1 2 380.923 5.212 40 0 GKABLO CC(C)(C)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328981268 209154360 /nfs/dbraw/zinc/15/43/60/209154360.db2.gz GTUDTBRYNDSEJG-UHFFFAOYSA-N 1 2 382.455 5.342 40 0 GKABLO c1cc(-c2nnc([C@@H]3CCCC[N@H+]3Cc3ccc4ccccc4n3)o2)cs1 ZINC000072390154 205341956 /nfs/dbraw/zinc/34/19/56/205341956.db2.gz QGDAGBGGISSVAU-IBGZPJMESA-N 1 2 376.485 5.074 40 0 GKABLO c1cc(-c2nnc([C@@H]3CCCC[N@@H+]3Cc3ccc4ccccc4n3)o2)cs1 ZINC000072390154 205341957 /nfs/dbraw/zinc/34/19/57/205341957.db2.gz QGDAGBGGISSVAU-IBGZPJMESA-N 1 2 376.485 5.074 40 0 GKABLO FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329002918 206240960 /nfs/dbraw/zinc/24/09/60/206240960.db2.gz KLCJBIKAKBCRLC-UHFFFAOYSA-N 1 2 398.432 5.682 40 0 GKABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCCC1)c1ccc(Cl)cc1 ZINC000008418615 221040400 /nfs/dbraw/zinc/04/04/00/221040400.db2.gz CIEPJNWBGIGELW-UHFFFAOYSA-N 1 2 375.299 5.655 40 0 GKABLO C[C@H]1C[N@H+](Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563859 221272886 /nfs/dbraw/zinc/27/28/86/221272886.db2.gz VWOLUIXUCLUBEE-FQEVSTJZSA-N 1 2 394.518 5.609 40 0 GKABLO C[C@H]1C[N@@H+](Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 ZINC000013563859 221272888 /nfs/dbraw/zinc/27/28/88/221272888.db2.gz VWOLUIXUCLUBEE-FQEVSTJZSA-N 1 2 394.518 5.609 40 0 GKABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000226254566 136192526 /nfs/dbraw/zinc/19/25/26/136192526.db2.gz PWBVDXIKQOKTJS-UHFFFAOYSA-N 1 2 385.511 5.424 40 0 GKABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000226254913 136192587 /nfs/dbraw/zinc/19/25/87/136192587.db2.gz UZRBEMSBHSPCPT-LBPRGKRZSA-N 1 2 378.303 5.207 40 0 GKABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000226254913 136192588 /nfs/dbraw/zinc/19/25/88/136192588.db2.gz UZRBEMSBHSPCPT-LBPRGKRZSA-N 1 2 378.303 5.207 40 0 GKABLO Nc1ccc([NH+]2CCCCC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000226253925 136192604 /nfs/dbraw/zinc/19/26/04/136192604.db2.gz KDEYYSVRXCIYSI-UHFFFAOYSA-N 1 2 385.511 5.030 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000226329760 136192638 /nfs/dbraw/zinc/19/26/38/136192638.db2.gz RRLCIMQKGHQWOI-HDICACEKSA-N 1 2 393.575 5.894 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000226329760 136192639 /nfs/dbraw/zinc/19/26/39/136192639.db2.gz RRLCIMQKGHQWOI-HDICACEKSA-N 1 2 393.575 5.894 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N@H+]1CCCC[C@@H]1C ZINC000226330893 136192707 /nfs/dbraw/zinc/19/27/07/136192707.db2.gz PKYDHHQNJFMHMP-ZDUSSCGKSA-N 1 2 392.330 5.515 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[N@@H+]1CCCC[C@@H]1C ZINC000226330893 136192708 /nfs/dbraw/zinc/19/27/08/136192708.db2.gz PKYDHHQNJFMHMP-ZDUSSCGKSA-N 1 2 392.330 5.515 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000219848292 136204334 /nfs/dbraw/zinc/20/43/34/136204334.db2.gz LEQQDHMLWBYBCD-UHFFFAOYSA-N 1 2 398.550 5.440 40 0 GKABLO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219863893 136204338 /nfs/dbraw/zinc/20/43/38/136204338.db2.gz QIDPZWXKGOGHPO-XMMPIXPASA-N 1 2 394.559 5.124 40 0 GKABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000219849581 136204487 /nfs/dbraw/zinc/20/44/87/136204487.db2.gz RBVVPWIWTRHSEJ-UHFFFAOYSA-N 1 2 386.495 5.642 40 0 GKABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214049 570314073 /nfs/dbraw/zinc/31/40/73/570314073.db2.gz YVFULEQFUMFSHI-QFIPXVFZSA-N 1 2 393.531 5.690 40 0 GKABLO CC(C)N(c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1)C(C)C ZINC000072212986 570314190 /nfs/dbraw/zinc/31/41/90/570314190.db2.gz YLKFREFPCCGYRR-QFIPXVFZSA-N 1 2 395.547 5.569 40 0 GKABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214013 570314212 /nfs/dbraw/zinc/31/42/12/570314212.db2.gz CIPBYBLUSSIDPD-OAQYLSRUSA-N 1 2 379.504 5.300 40 0 GKABLO O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216672 570317311 /nfs/dbraw/zinc/31/73/11/570317311.db2.gz JIPHIAAHRQBWEP-JOCHJYFZSA-N 1 2 393.531 5.326 40 0 GKABLO Cc1cccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000004858912 570413078 /nfs/dbraw/zinc/41/30/78/570413078.db2.gz WHCSZVPJXPNJKT-QGZVFWFLSA-N 1 2 378.545 5.065 40 0 GKABLO Cc1ccc([C@@H](NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c2ccccc2)c(C)c1 ZINC000223792726 570484675 /nfs/dbraw/zinc/48/46/75/570484675.db2.gz WBEXQGDLFDRESY-VWLOTQADSA-N 1 2 395.506 5.068 40 0 GKABLO C[C@H]1C[C@@H](N2C[N@@H+]([C@@H]3C[C@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378960 570563829 /nfs/dbraw/zinc/56/38/29/570563829.db2.gz ODNFMXWLLCNLGE-WNRNVDISSA-N 1 2 382.683 5.967 40 0 GKABLO C[C@H]1C[C@@H](N2C[N@H+]([C@@H]3C[C@H](C)CC(C)(C)C3)CSC2=S)CC(C)(C)C1 ZINC000036378960 570563833 /nfs/dbraw/zinc/56/38/33/570563833.db2.gz ODNFMXWLLCNLGE-WNRNVDISSA-N 1 2 382.683 5.967 40 0 GKABLO CCc1ccccc1NC(=S)N1CCC(c2[nH]c3cc(C)c(C)cc3[nH+]2)CC1 ZINC000001327018 570567080 /nfs/dbraw/zinc/56/70/80/570567080.db2.gz REPUEPPCCCCURR-UHFFFAOYSA-N 1 2 392.572 5.319 40 0 GKABLO Cc1cc2[nH]c([C@H]3CCCN(C(=S)Nc4ccccc4Cl)C3)[nH+]c2cc1C ZINC000001350091 570572897 /nfs/dbraw/zinc/57/28/97/570572897.db2.gz KMRFEHSKHYAHDU-HNNXBMFYSA-N 1 2 398.963 5.410 40 0 GKABLO Cc1cc2[nH]c([C@H]3CCCN(C(=S)Nc4cccc(Cl)c4)C3)[nH+]c2cc1C ZINC000001350062 570573055 /nfs/dbraw/zinc/57/30/55/570573055.db2.gz NRUMYGHRVOBUBN-HNNXBMFYSA-N 1 2 398.963 5.410 40 0 GKABLO Cc1cc(C)cc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)c1 ZINC000001350127 570573061 /nfs/dbraw/zinc/57/30/61/570573061.db2.gz CKZWBOWCTRVAFB-GOSISDBHSA-N 1 2 392.572 5.373 40 0 GKABLO Cc1ccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000004858913 570639181 /nfs/dbraw/zinc/63/91/81/570639181.db2.gz GFNCYNZAWOSCRG-KRWDZBQOSA-N 1 2 378.545 5.065 40 0 GKABLO C[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S ZINC000059474387 570657474 /nfs/dbraw/zinc/65/74/74/570657474.db2.gz WPFSGKKRNVBOIW-MRXNPFEDSA-N 1 2 398.963 5.556 40 0 GKABLO C[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S ZINC000059474387 570657476 /nfs/dbraw/zinc/65/74/76/570657476.db2.gz WPFSGKKRNVBOIW-MRXNPFEDSA-N 1 2 398.963 5.556 40 0 GKABLO Cc1ccc2cc3c(nc2c1)O[C@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563751 570758615 /nfs/dbraw/zinc/75/86/15/570758615.db2.gz ZBANGBXMICXBAU-VWLOTQADSA-N 1 2 380.491 5.679 40 0 GKABLO Cc1ccc2cc3c(nc2c1)O[C@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563751 570758619 /nfs/dbraw/zinc/75/86/19/570758619.db2.gz ZBANGBXMICXBAU-VWLOTQADSA-N 1 2 380.491 5.679 40 0 GKABLO CCc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@@H](c1ccccc1)O3 ZINC000013563896 570852306 /nfs/dbraw/zinc/85/23/06/570852306.db2.gz PGTXPSRZSXHHFR-SANMLTNESA-N 1 2 394.518 5.933 40 0 GKABLO CCc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@@H](c1ccccc1)O3 ZINC000013563896 570852313 /nfs/dbraw/zinc/85/23/13/570852313.db2.gz PGTXPSRZSXHHFR-SANMLTNESA-N 1 2 394.518 5.933 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2Cl)c1C ZINC000019558090 571004030 /nfs/dbraw/zinc/00/40/30/571004030.db2.gz KFXRINZZPOXICE-MRXNPFEDSA-N 1 2 391.302 5.325 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCC[N@H+]2Cc2cccc(Cl)c2Cl)c1C ZINC000019558090 571004033 /nfs/dbraw/zinc/00/40/33/571004033.db2.gz KFXRINZZPOXICE-MRXNPFEDSA-N 1 2 391.302 5.325 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2c(F)cccc2Cl)c1C ZINC000019557914 210264020 /nfs/dbraw/zinc/26/40/20/210264020.db2.gz DYJKBGVUCYHVMM-GOSISDBHSA-N 1 2 388.874 5.201 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2c(F)cccc2Cl)c1C ZINC000019557914 210264023 /nfs/dbraw/zinc/26/40/23/210264023.db2.gz DYJKBGVUCYHVMM-GOSISDBHSA-N 1 2 388.874 5.201 40 0 GKABLO Clc1ccc([C@@H](Cn2cc[nH+]c2)OCc2c(Cl)cccc2Cl)cc1 ZINC000000608006 209249863 /nfs/dbraw/zinc/24/98/63/209249863.db2.gz PBNSEYNKZBMLLY-GOSISDBHSA-N 1 2 381.690 5.801 40 0 in-man GKABLO COc1ccc(C[C@@]2(C)Nc3ccc(Cl)cc3[C@@H](c3ccccc3)[NH2+]2)cc1 ZINC000006795231 204206891 /nfs/dbraw/zinc/20/68/91/204206891.db2.gz DCAPFEPXFYKQPL-PKTZIBPZSA-N 1 2 378.903 5.412 40 0 GKABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)ccc1Cl ZINC000329064261 209159018 /nfs/dbraw/zinc/15/90/18/209159018.db2.gz XILMQUDONZCBQF-HXUWFJFHSA-N 1 2 396.922 5.278 40 0 GKABLO CC(C)(C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329036628 209157111 /nfs/dbraw/zinc/15/71/11/209157111.db2.gz RKMHFRRVOOIRAB-UHFFFAOYSA-N 1 2 387.314 5.826 40 0 GKABLO CC[C@H](C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329012096 206240820 /nfs/dbraw/zinc/24/08/20/206240820.db2.gz MJINLTBMJDWDPR-AWEZNQCLSA-N 1 2 384.430 5.121 40 0 GKABLO CC[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757873 207078387 /nfs/dbraw/zinc/07/83/87/207078387.db2.gz HGISMPCENRKAHW-OAHLLOKOSA-N 1 2 393.943 6.632 40 0 GKABLO CCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757811 207078606 /nfs/dbraw/zinc/07/86/06/207078606.db2.gz JGRXXZIKZCFQII-UHFFFAOYSA-N 1 2 393.943 6.633 40 0 GKABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2Cl)on1 ZINC000019120932 207102823 /nfs/dbraw/zinc/10/28/23/207102823.db2.gz ZZBUPZDIWHWZPW-INIZCTEOSA-N 1 2 391.302 5.407 40 0 GKABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2Cl)on1 ZINC000019120932 207102826 /nfs/dbraw/zinc/10/28/26/207102826.db2.gz ZZBUPZDIWHWZPW-INIZCTEOSA-N 1 2 391.302 5.407 40 0 GKABLO Clc1ccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cc1 ZINC000019376475 207120589 /nfs/dbraw/zinc/12/05/89/207120589.db2.gz QPLUZHOEYMRRML-LJQANCHMSA-N 1 2 390.874 5.275 40 0 GKABLO Clc1ccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cc1 ZINC000019376475 207120595 /nfs/dbraw/zinc/12/05/95/207120595.db2.gz QPLUZHOEYMRRML-LJQANCHMSA-N 1 2 390.874 5.275 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2Cl)c1C ZINC000019557911 207132041 /nfs/dbraw/zinc/13/20/41/207132041.db2.gz DYJKBGVUCYHVMM-SFHVURJKSA-N 1 2 388.874 5.201 40 0 GKABLO Cc1noc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2c(F)cccc2Cl)c1C ZINC000019557911 207132046 /nfs/dbraw/zinc/13/20/46/207132046.db2.gz DYJKBGVUCYHVMM-SFHVURJKSA-N 1 2 388.874 5.201 40 0 GKABLO CC(C)c1ccc([C@H]2[NH2+][C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716521 207384666 /nfs/dbraw/zinc/38/46/66/207384666.db2.gz TUXRCHBIEIWHFD-SXOMAYOGSA-N 1 2 379.503 6.733 40 0 GKABLO CCc1ccc(NC(=S)N2CCC[C@@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000004858920 220777251 /nfs/dbraw/zinc/77/72/51/220777251.db2.gz MBESSKVZSFYBMK-GOSISDBHSA-N 1 2 392.572 5.319 40 0 GKABLO c1ccc(COc2cccc(C[N@H+](Cc3ccncc3)Cc3cccnc3)c2)cc1 ZINC000013989671 221294868 /nfs/dbraw/zinc/29/48/68/221294868.db2.gz YRPLPBGQNHJNFD-UHFFFAOYSA-N 1 2 395.506 5.258 40 0 GKABLO c1ccc(COc2cccc(C[N@@H+](Cc3ccncc3)Cc3cccnc3)c2)cc1 ZINC000013989671 221294870 /nfs/dbraw/zinc/29/48/70/221294870.db2.gz YRPLPBGQNHJNFD-UHFFFAOYSA-N 1 2 395.506 5.258 40 0 GKABLO CC(C)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757879 221370600 /nfs/dbraw/zinc/37/06/00/221370600.db2.gz NFHRLJNCEMFMQN-UHFFFAOYSA-N 1 2 393.943 6.489 40 0 GKABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000226253967 136192491 /nfs/dbraw/zinc/19/24/91/136192491.db2.gz JTUQFPRGJMNUCC-UHFFFAOYSA-N 1 2 399.538 5.276 40 0 GKABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000226253938 136192653 /nfs/dbraw/zinc/19/26/53/136192653.db2.gz CKLOUGMFRMZGLE-LJQANCHMSA-N 1 2 399.538 5.418 40 0 GKABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000226253938 136192654 /nfs/dbraw/zinc/19/26/54/136192654.db2.gz CKLOUGMFRMZGLE-LJQANCHMSA-N 1 2 399.538 5.418 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@H+]1CCCC[C@@H]1C ZINC000226329736 136192661 /nfs/dbraw/zinc/19/26/61/136192661.db2.gz VVSIWASVJIIXKL-KRWDZBQOSA-N 1 2 379.548 5.506 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N@@H+]1CCCC[C@@H]1C ZINC000226329736 136192662 /nfs/dbraw/zinc/19/26/62/136192662.db2.gz VVSIWASVJIIXKL-KRWDZBQOSA-N 1 2 379.548 5.506 40 0 GKABLO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1[NH+]1CCCCC1 ZINC000226330832 136192776 /nfs/dbraw/zinc/19/27/76/136192776.db2.gz LGRQNACRRBOTCK-UHFFFAOYSA-N 1 2 378.303 5.127 40 0 GKABLO CCCCC(=O)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3C)nc2cc1C ZINC000020611067 528092149 /nfs/dbraw/zinc/09/21/49/528092149.db2.gz HDEROXPRKSVVOH-UHFFFAOYSA-N 1 2 393.535 5.012 40 0 GKABLO CCC(C)(C)c1ccc([NH+](CCCc2ccccc2)CCCc2ccccc2)cc1 ZINC000001867004 570269586 /nfs/dbraw/zinc/26/95/86/570269586.db2.gz IHBUEIMCUVOJJL-UHFFFAOYSA-N 1 2 399.622 7.446 40 0 GKABLO CC[C@@H]1c2ccccc2[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2[N@H+]1CC ZINC000104265532 570300066 /nfs/dbraw/zinc/30/00/66/570300066.db2.gz JKHFUBAMHRNUSY-USZFVNFHSA-N 1 2 381.523 5.807 40 0 GKABLO CC[C@@H]1c2ccccc2[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2[N@@H+]1CC ZINC000104265532 570300068 /nfs/dbraw/zinc/30/00/68/570300068.db2.gz JKHFUBAMHRNUSY-USZFVNFHSA-N 1 2 381.523 5.807 40 0 GKABLO CC(C)N(c1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1)C(C)C ZINC000072213047 570314029 /nfs/dbraw/zinc/31/40/29/570314029.db2.gz QBBVDYRFCNHHHN-JOCHJYFZSA-N 1 2 395.547 5.569 40 0 GKABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216733 570317776 /nfs/dbraw/zinc/31/77/76/570317776.db2.gz MKOGIKOWDVWWOE-QFIPXVFZSA-N 1 2 393.531 5.326 40 0 GKABLO O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216673 570317784 /nfs/dbraw/zinc/31/77/84/570317784.db2.gz JIPHIAAHRQBWEP-QFIPXVFZSA-N 1 2 393.531 5.326 40 0 GKABLO Cc1nc(Nc2ccc3ccccc3c2)cc(Nc2ccc3ccccc3c2)[nH+]1 ZINC000005337939 570434578 /nfs/dbraw/zinc/43/45/78/570434578.db2.gz NQSFDXYDSSFALQ-UHFFFAOYSA-N 1 2 376.463 6.579 40 0 GKABLO COc1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2cc[nH+]c2)cc1 ZINC000005500960 570443143 /nfs/dbraw/zinc/44/31/43/570443143.db2.gz WBFVIIVIUZZHPZ-QFIPXVFZSA-N 1 2 392.543 5.830 40 0 GKABLO O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030937974 570501504 /nfs/dbraw/zinc/50/15/04/570501504.db2.gz XTNWOPZLOUWZLQ-UHFFFAOYSA-N 1 2 385.492 5.335 40 0 GKABLO CC(C)c1ccc([C@H]2[NH2+][C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000031716516 570505823 /nfs/dbraw/zinc/50/58/23/570505823.db2.gz TUXRCHBIEIWHFD-SVBPBHIXSA-N 1 2 379.503 6.733 40 0 GKABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=S)Nc4cccc(Cl)c4)C3)[nH+]c2cc1C ZINC000001350065 570573039 /nfs/dbraw/zinc/57/30/39/570573039.db2.gz NRUMYGHRVOBUBN-OAHLLOKOSA-N 1 2 398.963 5.410 40 0 GKABLO Cc1cccc(C)c1NC(=O)N1CCC[C@H](c2[nH]c3cc(C)c(C)cc3[nH+]2)C1 ZINC000001350214 570573069 /nfs/dbraw/zinc/57/30/69/570573069.db2.gz QPYIGMDCESNYNU-SFHVURJKSA-N 1 2 376.504 5.208 40 0 GKABLO CCc1ccc(NC(=S)N2CCC[C@H](c3[nH]c4cc(C)c(C)cc4[nH+]3)C2)cc1 ZINC000004858919 570639404 /nfs/dbraw/zinc/63/94/04/570639404.db2.gz MBESSKVZSFYBMK-SFHVURJKSA-N 1 2 392.572 5.319 40 0 GKABLO Cc1cc2cc3c(nc2cc1C)O[C@H](c1ccccc1)C[N@H+](Cc1ccccc1)C3 ZINC000013563890 570852337 /nfs/dbraw/zinc/85/23/37/570852337.db2.gz VSKFMQKTBDESEK-SANMLTNESA-N 1 2 394.518 5.988 40 0 GKABLO Cc1cc2cc3c(nc2cc1C)O[C@H](c1ccccc1)C[N@@H+](Cc1ccccc1)C3 ZINC000013563890 570852342 /nfs/dbraw/zinc/85/23/42/570852342.db2.gz VSKFMQKTBDESEK-SANMLTNESA-N 1 2 394.518 5.988 40 0 GKABLO CC[C@@H]1c2ccccc2[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2[N@H+]1CC ZINC000017174751 570942674 /nfs/dbraw/zinc/94/26/74/570942674.db2.gz JKHFUBAMHRNUSY-MZKUHISZSA-N 1 2 381.523 5.807 40 0 GKABLO CC[C@@H]1c2ccccc2[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2[N@@H+]1CC ZINC000017174751 570942676 /nfs/dbraw/zinc/94/26/76/570942676.db2.gz JKHFUBAMHRNUSY-MZKUHISZSA-N 1 2 381.523 5.807 40 0 GKABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019120896 210227548 /nfs/dbraw/zinc/22/75/48/210227548.db2.gz JNVMFHHXGORARC-KRWDZBQOSA-N 1 2 391.302 5.407 40 0 GKABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019120896 210227551 /nfs/dbraw/zinc/22/75/51/210227551.db2.gz JNVMFHHXGORARC-KRWDZBQOSA-N 1 2 391.302 5.407 40 0 GKABLO CC[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757776 210196925 /nfs/dbraw/zinc/19/69/25/210196925.db2.gz QBYYUGCCEUOLNZ-OAHLLOKOSA-N 1 2 393.943 6.632 40 0 GKABLO