smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cc1 ZINC000096111822 291255024 /nfs/dbraw/zinc/25/50/24/291255024.db2.gz BYVGVSJOFJJLNP-GMAHTHKFSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)cc1 ZINC000096111822 291255026 /nfs/dbraw/zinc/25/50/26/291255026.db2.gz BYVGVSJOFJJLNP-GMAHTHKFSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 ZINC000096111859 291255664 /nfs/dbraw/zinc/25/56/64/291255664.db2.gz BICBOEVGHMBWCI-UNMCSNQZSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 ZINC000096111859 291255667 /nfs/dbraw/zinc/25/56/67/291255667.db2.gz BICBOEVGHMBWCI-UNMCSNQZSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO c1ccc(CCn2nnnc2[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020142198 526468804 /nfs/dbraw/zinc/46/88/04/526468804.db2.gz CXTVMTJNGWUDIS-RUZDIDTESA-N 1 2 424.552 3.827 40 0 HHABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccccc3)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508678 527314291 /nfs/dbraw/zinc/31/42/91/527314291.db2.gz GVEKCMFINGTPQD-ROUUACIJSA-N 1 2 406.960 3.611 40 0 HHABLO Nc1nc[nH+]c(N)c1NC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000001749412 557284810 /nfs/dbraw/zinc/28/48/10/557284810.db2.gz UWAAWBLSSWVCJR-UHFFFAOYSA-N 1 2 404.257 3.779 40 0 HHABLO COC(=O)c1c(NC(=O)CSCc2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408574262 557478193 /nfs/dbraw/zinc/47/81/93/557478193.db2.gz GHFMQKVRUPJDSZ-UHFFFAOYSA-N 1 2 404.557 3.703 40 0 HHABLO COC(=O)c1c(NC(=O)CSCc2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408574262 557478195 /nfs/dbraw/zinc/47/81/95/557478195.db2.gz GHFMQKVRUPJDSZ-UHFFFAOYSA-N 1 2 404.557 3.703 40 0 HHABLO COC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408576144 557479336 /nfs/dbraw/zinc/47/93/36/557479336.db2.gz RWYCIZPVFFIFRA-CYBMUJFWSA-N 1 2 404.557 3.783 40 0 HHABLO COC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408576144 557479338 /nfs/dbraw/zinc/47/93/38/557479338.db2.gz RWYCIZPVFFIFRA-CYBMUJFWSA-N 1 2 404.557 3.783 40 0 HHABLO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000035876776 557829495 /nfs/dbraw/zinc/82/94/95/557829495.db2.gz YFMMOCVQZBMPGN-BQJUDKOJSA-N 1 2 422.912 3.738 40 0 HHABLO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000035876776 557829500 /nfs/dbraw/zinc/82/95/00/557829500.db2.gz YFMMOCVQZBMPGN-BQJUDKOJSA-N 1 2 422.912 3.738 40 0 HHABLO COc1cccc(OCCCn2c[nH+]cc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1 ZINC000019719937 558258726 /nfs/dbraw/zinc/25/87/26/558258726.db2.gz FMBXXKOOFWMVKA-UHFFFAOYSA-N 1 2 406.486 3.527 40 0 HHABLO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022528252 558496319 /nfs/dbraw/zinc/49/63/19/558496319.db2.gz UZMZDSKSGJFSOB-NRFANRHFSA-N 1 2 410.514 3.534 40 0 HHABLO C[C@H](C[NH+]1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000036613939 558726934 /nfs/dbraw/zinc/72/69/34/558726934.db2.gz VHCVXBKIIHCMIW-GFCCVEGCSA-N 1 2 400.832 3.948 40 0 HHABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc4cc(C)[nH]n4c(=O)c2C3)cc1OC(C)C ZINC000019130142 558845368 /nfs/dbraw/zinc/84/53/68/558845368.db2.gz DKLYDRPNHJYBIL-MSOLQXFVSA-N 1 2 422.529 3.671 40 0 HHABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc4cc(C)[nH]n4c(=O)c2C3)cc1OC(C)C ZINC000019130142 558845370 /nfs/dbraw/zinc/84/53/70/558845370.db2.gz DKLYDRPNHJYBIL-MSOLQXFVSA-N 1 2 422.529 3.671 40 0 HHABLO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2nccn2CC)C1 ZINC000019529196 558911053 /nfs/dbraw/zinc/91/10/53/558911053.db2.gz VLRNFVRDVXKNBL-RUZDIDTESA-N 1 2 417.557 3.536 40 0 HHABLO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2nccn2CC)C1 ZINC000019529196 558911055 /nfs/dbraw/zinc/91/10/55/558911055.db2.gz VLRNFVRDVXKNBL-RUZDIDTESA-N 1 2 417.557 3.536 40 0 HHABLO Cc1ncsc1-c1nnc([C@H]2CCCCN2C(=O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000019562522 558923110 /nfs/dbraw/zinc/92/31/10/558923110.db2.gz RGIFABGEMBFZNT-GOSISDBHSA-N 1 2 423.542 3.613 40 0 HHABLO Cc1ncsc1-c1nnc([C@H]2CCCCN2C(=O)C[N@H+]2CCc3ccccc3C2)o1 ZINC000019562522 558923114 /nfs/dbraw/zinc/92/31/14/558923114.db2.gz RGIFABGEMBFZNT-GOSISDBHSA-N 1 2 423.542 3.613 40 0 HHABLO Cc1noc2nc([C@H]3CCCN(C(=O)CCn4cc[nH+]c4)C3)cc(C(F)(F)F)c12 ZINC000019563889 558923886 /nfs/dbraw/zinc/92/38/86/558923886.db2.gz KLDFDFGVONIWQD-ZDUSSCGKSA-N 1 2 407.396 3.543 40 0 HHABLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1OC ZINC000019567873 558926946 /nfs/dbraw/zinc/92/69/46/558926946.db2.gz PTXBLHZMOWKPON-IBGZPJMESA-N 1 2 406.486 3.989 40 0 HHABLO COc1cccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1OC ZINC000019567873 558926948 /nfs/dbraw/zinc/92/69/48/558926948.db2.gz PTXBLHZMOWKPON-IBGZPJMESA-N 1 2 406.486 3.989 40 0 HHABLO COc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3F)C[C@@H]2C(C)C)cc1OC ZINC000072324121 558933185 /nfs/dbraw/zinc/93/31/85/558933185.db2.gz MXWQZKHFELCGFN-HXUWFJFHSA-N 1 2 400.494 3.826 40 0 HHABLO COc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3F)C[C@@H]2C(C)C)cc1OC ZINC000072324121 558933189 /nfs/dbraw/zinc/93/31/89/558933189.db2.gz MXWQZKHFELCGFN-HXUWFJFHSA-N 1 2 400.494 3.826 40 0 HHABLO Cc1[nH]c2ccc(Cl)cc2c1C[N@@H+]1CCc2c(=O)[nH]c(-c3ccncc3)nc2C1 ZINC000019581394 558936844 /nfs/dbraw/zinc/93/68/44/558936844.db2.gz FMUBPLNIKZMQMX-UHFFFAOYSA-N 1 2 405.889 3.833 40 0 HHABLO Cc1[nH]c2ccc(Cl)cc2c1C[N@H+]1CCc2c(=O)[nH]c(-c3ccncc3)nc2C1 ZINC000019581394 558936846 /nfs/dbraw/zinc/93/68/46/558936846.db2.gz FMUBPLNIKZMQMX-UHFFFAOYSA-N 1 2 405.889 3.833 40 0 HHABLO CCc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000072350626 558947699 /nfs/dbraw/zinc/94/76/99/558947699.db2.gz BCGODXDGGQATIR-UHFFFAOYSA-N 1 2 419.529 3.572 40 0 HHABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CCCN2C(=O)c2c(C)cc(C)n(C)c2=O)nc1 ZINC000072353132 558949695 /nfs/dbraw/zinc/94/96/95/558949695.db2.gz YBSTZDSCQGNTDO-FQEVSTJZSA-N 1 2 417.513 3.821 40 0 HHABLO O=C(C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1nnc(C2CCC2)s1 ZINC000019658430 558950502 /nfs/dbraw/zinc/95/05/02/558950502.db2.gz QCZLFBJSXQRKPX-CQSZACIVSA-N 1 2 410.547 3.575 40 0 HHABLO O=C(C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1nnc(C2CCC2)s1 ZINC000019658430 558950504 /nfs/dbraw/zinc/95/05/04/558950504.db2.gz QCZLFBJSXQRKPX-CQSZACIVSA-N 1 2 410.547 3.575 40 0 HHABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3ccccc3F)cc(C)[nH+]2)C1 ZINC000072353894 558951167 /nfs/dbraw/zinc/95/11/67/558951167.db2.gz SCCOTJUOZRFKGX-FQEVSTJZSA-N 1 2 419.566 3.886 40 0 HHABLO Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4ccc(-c5ccc(N)[nH+]c5)cn4)C3)c2c1 ZINC000019689235 558958573 /nfs/dbraw/zinc/95/85/73/558958573.db2.gz LUTRYOVVQQELNZ-GOSISDBHSA-N 1 2 412.497 3.930 40 0 HHABLO Cc1noc(CCC(=O)N2CCC(c3ccc(Nc4cccc(C)[nH+]4)cn3)CC2)n1 ZINC000072374345 558961991 /nfs/dbraw/zinc/96/19/91/558961991.db2.gz DDHUPUYVEAAVTP-UHFFFAOYSA-N 1 2 406.490 3.559 40 0 HHABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)no1 ZINC000072376019 558965154 /nfs/dbraw/zinc/96/51/54/558965154.db2.gz GOWBXEBPALEEQT-QGZVFWFLSA-N 1 2 406.490 3.643 40 0 HHABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)no1 ZINC000072376019 558965155 /nfs/dbraw/zinc/96/51/55/558965155.db2.gz GOWBXEBPALEEQT-QGZVFWFLSA-N 1 2 406.490 3.643 40 0 HHABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)no1 ZINC000072376020 558965169 /nfs/dbraw/zinc/96/51/69/558965169.db2.gz GOWBXEBPALEEQT-KRWDZBQOSA-N 1 2 406.490 3.643 40 0 HHABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)no1 ZINC000072376020 558965172 /nfs/dbraw/zinc/96/51/72/558965172.db2.gz GOWBXEBPALEEQT-KRWDZBQOSA-N 1 2 406.490 3.643 40 0 HHABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2cccc(F)c2C)CC3)cc1 ZINC000585111382 559030501 /nfs/dbraw/zinc/03/05/01/559030501.db2.gz RLHPNMQACJIXQT-UHFFFAOYSA-N 1 2 406.461 3.655 40 0 HHABLO C[C@]12CC[C@H]3c4ccc(OC(=O)CC[NH+]5CCOCC5)cc4CC[C@@H]3[C@H]1CCC2=O ZINC000105365683 559162734 /nfs/dbraw/zinc/16/27/34/559162734.db2.gz PAEWODTUFUTSCJ-FUCAVZNHSA-N 1 2 411.542 3.740 40 0 HHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000257313799 559282920 /nfs/dbraw/zinc/28/29/20/559282920.db2.gz UUEISDSGGGIHGN-NOZRDPDXSA-N 1 2 417.509 3.774 40 0 HHABLO COc1ccccc1[C@@H]1CN(C(=O)C2(c3cccc(C)c3)CCOCC2)CC[N@@H+]1C ZINC000257265397 559284865 /nfs/dbraw/zinc/28/48/65/559284865.db2.gz LYMSWUVXDCKXQM-QFIPXVFZSA-N 1 2 408.542 3.567 40 0 HHABLO COc1ccccc1[C@@H]1CN(C(=O)C2(c3cccc(C)c3)CCOCC2)CC[N@H+]1C ZINC000257265397 559284867 /nfs/dbraw/zinc/28/48/67/559284867.db2.gz LYMSWUVXDCKXQM-QFIPXVFZSA-N 1 2 408.542 3.567 40 0 HHABLO COc1ccccc1C1(O)CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000004967759 560622109 /nfs/dbraw/zinc/62/21/09/560622109.db2.gz LWLWRZWVYKRBPE-UHFFFAOYSA-N 1 2 423.538 3.741 40 0 HHABLO COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020120931 560880612 /nfs/dbraw/zinc/88/06/12/560880612.db2.gz WSVAAGVNWMAKJP-XMMPIXPASA-N 1 2 411.509 3.878 40 0 HHABLO COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020120931 560880613 /nfs/dbraw/zinc/88/06/13/560880613.db2.gz WSVAAGVNWMAKJP-XMMPIXPASA-N 1 2 411.509 3.878 40 0 HHABLO Cc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020139290 560880954 /nfs/dbraw/zinc/88/09/54/560880954.db2.gz GKJVPDNNLVXYSU-OAQYLSRUSA-N 1 2 408.525 3.787 40 0 HHABLO C[C@@]1(O)CC[N@H+](Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000604383103 568489648 /nfs/dbraw/zinc/48/96/48/568489648.db2.gz JBQLPKQWJJFMQT-QNWVGRARSA-N 1 2 407.539 3.640 40 0 biogenic,in-vitro HHABLO C[C@@]1(O)CC[N@@H+](Cc2cccnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000604383103 568489650 /nfs/dbraw/zinc/48/96/50/568489650.db2.gz JBQLPKQWJJFMQT-QNWVGRARSA-N 1 2 407.539 3.640 40 0 biogenic,in-vitro HHABLO CCCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670419 568494516 /nfs/dbraw/zinc/49/45/16/568494516.db2.gz LDBGXYYYHGCKLH-IFMALSPDSA-N 1 2 412.582 3.522 40 0 HHABLO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670843 568494839 /nfs/dbraw/zinc/49/48/39/568494839.db2.gz LZGNAMFGWJOGLH-OAQYLSRUSA-N 1 2 412.488 3.519 40 0 HHABLO CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000057711354 568495953 /nfs/dbraw/zinc/49/59/53/568495953.db2.gz NLWMPZFCNPTDII-UHFFFAOYSA-N 1 2 411.546 3.862 40 0 HHABLO CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)ccc21 ZINC000224979466 568607271 /nfs/dbraw/zinc/60/72/71/568607271.db2.gz RWTVIEXCQCIOEJ-UHFFFAOYSA-N 1 2 413.543 3.777 40 0 HHABLO O=C(CCc1c(Cl)cccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225349181 568630996 /nfs/dbraw/zinc/63/09/96/568630996.db2.gz XJBCHEVRVPGXGD-UHFFFAOYSA-N 1 2 421.324 3.999 40 0 HHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1C[C@@H]2[C@@H](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC000257204829 568777532 /nfs/dbraw/zinc/77/75/32/568777532.db2.gz AWLMKUOUFOYFGI-QFZWGZQFSA-N 1 2 422.544 3.999 40 0 HHABLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@@H](c4cccc(Nc5cnccn5)n4)C3)ccc2O1 ZINC000257251324 568790704 /nfs/dbraw/zinc/79/07/04/568790704.db2.gz JQHGUEUANHMCJN-OAQYLSRUSA-N 1 2 417.513 3.902 40 0 HHABLO CC1(C)Cc2cc(C[N@H+]3CCO[C@@H](c4cccc(Nc5cnccn5)n4)C3)ccc2O1 ZINC000257251324 568790705 /nfs/dbraw/zinc/79/07/05/568790705.db2.gz JQHGUEUANHMCJN-OAQYLSRUSA-N 1 2 417.513 3.902 40 0 HHABLO CCn1cc(CN2CCO[C@H](c3cc(Nc4cccc(C)[nH+]4)cc(C)n3)C2)c(C)n1 ZINC000257294208 568802744 /nfs/dbraw/zinc/80/27/44/568802744.db2.gz QTAXXGGVNVVTDL-QFIPXVFZSA-N 1 2 406.534 3.935 40 0 HHABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 ZINC000257299386 568804252 /nfs/dbraw/zinc/80/42/52/568804252.db2.gz RPVUVZPRKKIBNM-NRFANRHFSA-N 1 2 416.447 3.998 40 0 HHABLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 ZINC000257299386 568804253 /nfs/dbraw/zinc/80/42/53/568804253.db2.gz RPVUVZPRKKIBNM-NRFANRHFSA-N 1 2 416.447 3.998 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1 ZINC000261365113 568819722 /nfs/dbraw/zinc/81/97/22/568819722.db2.gz QDILBMALJCGAQQ-NRFANRHFSA-O 1 2 407.519 3.942 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306123101 568886331 /nfs/dbraw/zinc/88/63/31/568886331.db2.gz AEINZCSFIVJCHE-MJGOQNOKSA-N 1 2 400.500 3.705 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306123101 568886334 /nfs/dbraw/zinc/88/63/34/568886334.db2.gz AEINZCSFIVJCHE-MJGOQNOKSA-N 1 2 400.500 3.705 40 0 HHABLO Cc1cc(CN2CCC[C@]3(C[N@H+](Cc4ccccc4C)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306125299 568888257 /nfs/dbraw/zinc/88/82/57/568888257.db2.gz CLOBJSQYBDVBPV-QFIPXVFZSA-N 1 2 416.516 3.687 40 0 HHABLO Cc1cc(CN2CCC[C@]3(C[N@@H+](Cc4ccccc4C)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306125299 568888259 /nfs/dbraw/zinc/88/82/59/568888259.db2.gz CLOBJSQYBDVBPV-QFIPXVFZSA-N 1 2 416.516 3.687 40 0 HHABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4ccsc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306138361 568900433 /nfs/dbraw/zinc/90/04/33/568900433.db2.gz RVVMKMGFSYUUPQ-QFBILLFUSA-N 1 2 402.566 3.935 40 0 HHABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4ccsc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306138361 568900435 /nfs/dbraw/zinc/90/04/35/568900435.db2.gz RVVMKMGFSYUUPQ-QFBILLFUSA-N 1 2 402.566 3.935 40 0 HHABLO c1csc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)n1 ZINC000306139781 568901593 /nfs/dbraw/zinc/90/15/93/568901593.db2.gz UAIRBWKMONWBTQ-FQEVSTJZSA-N 1 2 422.602 3.660 40 0 HHABLO c1csc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)n1 ZINC000306139781 568901596 /nfs/dbraw/zinc/90/15/96/568901596.db2.gz UAIRBWKMONWBTQ-FQEVSTJZSA-N 1 2 422.602 3.660 40 0 HHABLO O=C(NCc1ccccc1)c1cnn2c1C[N@H+](CC1CCCC1)Cc1cccnc1-2 ZINC000306141868 568903221 /nfs/dbraw/zinc/90/32/21/568903221.db2.gz WITAHKSZNQYHKJ-UHFFFAOYSA-N 1 2 401.514 3.703 40 0 HHABLO O=C(NCc1ccccc1)c1cnn2c1C[N@@H+](CC1CCCC1)Cc1cccnc1-2 ZINC000306141868 568903223 /nfs/dbraw/zinc/90/32/23/568903223.db2.gz WITAHKSZNQYHKJ-UHFFFAOYSA-N 1 2 401.514 3.703 40 0 HHABLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019496209 569345590 /nfs/dbraw/zinc/34/55/90/569345590.db2.gz ZJIZXEQZVJTJIK-OIISXLGYSA-N 1 2 405.926 3.580 40 0 HHABLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019496209 569345591 /nfs/dbraw/zinc/34/55/91/569345591.db2.gz ZJIZXEQZVJTJIK-OIISXLGYSA-N 1 2 405.926 3.580 40 0 HHABLO Nc1ccc(-c2ccc([C@@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)nc2)c[nH+]1 ZINC000019693654 569346480 /nfs/dbraw/zinc/34/64/80/569346480.db2.gz MKNMVJLSFHIOID-NRFANRHFSA-N 1 2 422.916 3.912 40 0 HHABLO O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020241974 569349597 /nfs/dbraw/zinc/34/95/97/569349597.db2.gz BCYDIJXABCDXMU-UHFFFAOYSA-N 1 2 421.541 3.787 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccco1 ZINC000261364917 569413752 /nfs/dbraw/zinc/41/37/52/569413752.db2.gz ORUWNWZTLVCIDT-FQEVSTJZSA-O 1 2 417.470 3.659 40 0 HHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(C)s1 ZINC000261365674 569413816 /nfs/dbraw/zinc/41/38/16/569413816.db2.gz UNUGNASRMDSTLX-LJQANCHMSA-O 1 2 413.548 3.922 40 0 HHABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1OC ZINC000329068657 571309278 /nfs/dbraw/zinc/30/92/78/571309278.db2.gz YRMMMPRBKUUIQN-LJQANCHMSA-N 1 2 408.502 4.333 40 0 HHABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@@H+]21 ZINC000253394095 291248407 /nfs/dbraw/zinc/24/84/07/291248407.db2.gz ADKRMLNCSXIJGY-NRFANRHFSA-N 1 2 415.940 3.900 40 0 biogenic,in-vitro HHABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(Cc3ccc(F)cc3)CC[N@H+]21 ZINC000253394095 291248408 /nfs/dbraw/zinc/24/84/08/291248408.db2.gz ADKRMLNCSXIJGY-NRFANRHFSA-N 1 2 415.940 3.900 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3ccc(F)cc3)n2)cc1 ZINC000015675966 291254309 /nfs/dbraw/zinc/25/43/09/291254309.db2.gz VHINKBRCUVWVNO-IBGZPJMESA-N 1 2 419.416 3.547 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3ccc(F)cc3)n2)cc1 ZINC000015675966 291254312 /nfs/dbraw/zinc/25/43/12/291254312.db2.gz VHINKBRCUVWVNO-IBGZPJMESA-N 1 2 419.416 3.547 40 0 biogenic,in-vitro HHABLO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(Cl)cc1 ZINC000015676383 291258952 /nfs/dbraw/zinc/25/89/52/291258952.db2.gz QMXYJXNVOIPGHS-FQEVSTJZSA-N 1 2 415.324 3.960 40 0 biogenic,in-vitro HHABLO O=C(NCc1ccc(Cl)cc1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(Cl)cc1 ZINC000015676383 291258954 /nfs/dbraw/zinc/25/89/54/291258954.db2.gz QMXYJXNVOIPGHS-FQEVSTJZSA-N 1 2 415.324 3.960 40 0 biogenic,in-vitro HHABLO CC(=O)N1CC2(CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)Nc2ccccc21 ZINC000012086403 132353510 /nfs/dbraw/zinc/35/35/10/132353510.db2.gz UWECLNWHWHYQCX-UHFFFAOYSA-N 1 2 412.921 3.592 40 0 HHABLO O[C@H](c1nccs1)c1cccc(F)c1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019292773 132466799 /nfs/dbraw/zinc/46/67/99/132466799.db2.gz QCBHPZUWMMNJNQ-FQEVSTJZSA-N 1 2 419.472 3.964 40 0 HHABLO Cc1ccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508699 524639406 /nfs/dbraw/zinc/63/94/06/524639406.db2.gz XHDXFALXXBLLDL-RTBURBONSA-N 1 2 420.987 3.919 40 0 HHABLO C[C@H]1S[C@]2(c3ccccc3N(C[NH+]3CCCCC3)C2=O)N(c2ccccc2)C1=O ZINC000005521156 557659572 /nfs/dbraw/zinc/65/95/72/557659572.db2.gz HAOMKHJWGUGOKJ-HXOBKFHXSA-N 1 2 407.539 3.798 40 0 HHABLO C[C@H]1S[C@@]2(c3ccccc3N(C[NH+]3CCCCC3)C2=O)N(c2ccccc2)C1=O ZINC000005521150 557659614 /nfs/dbraw/zinc/65/96/14/557659614.db2.gz HAOMKHJWGUGOKJ-UZUQRXQVSA-N 1 2 407.539 3.798 40 0 HHABLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719750 558258155 /nfs/dbraw/zinc/25/81/55/558258155.db2.gz MXTIYYWELNSCIY-CQSZACIVSA-N 1 2 412.563 3.605 40 0 HHABLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719750 558258157 /nfs/dbraw/zinc/25/81/57/558258157.db2.gz MXTIYYWELNSCIY-CQSZACIVSA-N 1 2 412.563 3.605 40 0 HHABLO CNC(=O)c1cc([C@H]2C[N@H+](Cc3cccc(OC(C)C)c3)CCO2)nc2ccccc21 ZINC000019762771 558277379 /nfs/dbraw/zinc/27/73/79/558277379.db2.gz QTBOPEXQRSUWAL-XMMPIXPASA-N 1 2 419.525 3.955 40 0 HHABLO CNC(=O)c1cc([C@H]2C[N@@H+](Cc3cccc(OC(C)C)c3)CCO2)nc2ccccc21 ZINC000019762771 558277381 /nfs/dbraw/zinc/27/73/81/558277381.db2.gz QTBOPEXQRSUWAL-XMMPIXPASA-N 1 2 419.525 3.955 40 0 HHABLO CCOC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000020035944 558324979 /nfs/dbraw/zinc/32/49/79/558324979.db2.gz MLCVNPHAXXFQOZ-UHFFFAOYSA-N 1 2 402.878 3.601 40 0 HHABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@H+](CC(=O)NC(C)(C)C)C3)c(=O)c2c1C ZINC000012184141 558344380 /nfs/dbraw/zinc/34/43/80/558344380.db2.gz CSSPLAPNXYOULM-INIZCTEOSA-N 1 2 418.607 3.750 40 0 HHABLO Cc1sc2nc(C(C)C)n([C@H]3CCC[N@@H+](CC(=O)NC(C)(C)C)C3)c(=O)c2c1C ZINC000012184141 558344381 /nfs/dbraw/zinc/34/43/81/558344381.db2.gz CSSPLAPNXYOULM-INIZCTEOSA-N 1 2 418.607 3.750 40 0 HHABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000019286710 558860597 /nfs/dbraw/zinc/86/05/97/558860597.db2.gz CXXDFRZIAIJGJX-QUCCMNQESA-N 1 2 410.562 3.622 40 0 HHABLO Fc1ccc(C[N@@H+]2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)cc1 ZINC000019339882 558871433 /nfs/dbraw/zinc/87/14/33/558871433.db2.gz GMZFCYFLRYXOPN-UHFFFAOYSA-N 1 2 405.477 3.962 40 0 HHABLO Fc1ccc(C[N@H+]2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)cc1 ZINC000019339882 558871435 /nfs/dbraw/zinc/87/14/35/558871435.db2.gz GMZFCYFLRYXOPN-UHFFFAOYSA-N 1 2 405.477 3.962 40 0 HHABLO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000019500439 558898500 /nfs/dbraw/zinc/89/85/00/558898500.db2.gz LHPFWQPHMBVPCQ-FCHUYYIVSA-N 1 2 407.493 3.546 40 0 HHABLO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000019500439 558898501 /nfs/dbraw/zinc/89/85/01/558898501.db2.gz LHPFWQPHMBVPCQ-FCHUYYIVSA-N 1 2 407.493 3.546 40 0 HHABLO COc1cc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3scnc3C)o2)cc(OC)c1OC ZINC000019562992 558923455 /nfs/dbraw/zinc/92/34/55/558923455.db2.gz ZCVJONSELGWGIA-CQSZACIVSA-N 1 2 416.503 3.864 40 0 HHABLO COc1cc(C[N@H+]2CCC[C@@H]2c2nnc(-c3scnc3C)o2)cc(OC)c1OC ZINC000019562992 558923458 /nfs/dbraw/zinc/92/34/58/558923458.db2.gz ZCVJONSELGWGIA-CQSZACIVSA-N 1 2 416.503 3.864 40 0 HHABLO CCOC(=O)C[NH+]1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 ZINC000072336022 558937250 /nfs/dbraw/zinc/93/72/50/558937250.db2.gz XDEKTEJHJKDJTK-UHFFFAOYSA-N 1 2 400.523 3.570 40 0 HHABLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019594989 558945816 /nfs/dbraw/zinc/94/58/16/558945816.db2.gz BKGWINIEPYHOGS-HSZRJFAPSA-N 1 2 412.461 3.973 40 0 HHABLO COc1cc(OC)c(OC)cc1C[N@H+]1CCO[C@@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019594989 558945818 /nfs/dbraw/zinc/94/58/18/558945818.db2.gz BKGWINIEPYHOGS-HSZRJFAPSA-N 1 2 412.461 3.973 40 0 HHABLO CCc1nnsc1C(=O)N1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353392 558950512 /nfs/dbraw/zinc/95/05/12/558950512.db2.gz DMKIDOMLXLQWCF-HNNXBMFYSA-N 1 2 408.531 3.962 40 0 HHABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Cc3ccccc3F)cc(C)[nH+]2)C1 ZINC000072353895 558951094 /nfs/dbraw/zinc/95/10/94/558951094.db2.gz SCCOTJUOZRFKGX-HXUWFJFHSA-N 1 2 419.566 3.886 40 0 HHABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000072353896 558951102 /nfs/dbraw/zinc/95/11/02/558951102.db2.gz CYEKPXJXDRHEMN-FQEVSTJZSA-N 1 2 419.566 3.886 40 0 HHABLO Cc1ccccc1-c1cc(CC2(C(=O)NCCNc3cccc[nH+]3)CCOCC2)on1 ZINC000072356310 558953103 /nfs/dbraw/zinc/95/31/03/558953103.db2.gz ITNQSEFUNIXWDE-UHFFFAOYSA-N 1 2 420.513 3.613 40 0 HHABLO Cc1ccn2cc(C(=O)N3CC[C@@H](c4cc(-c5ccc(N)[nH+]c5)cc(C)n4)C3)nc2c1 ZINC000072374696 558962450 /nfs/dbraw/zinc/96/24/50/558962450.db2.gz QWZSWNYRNPPPCB-GOSISDBHSA-N 1 2 412.497 3.620 40 0 HHABLO CCn1cc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2c2cccc(OC)c2)c(C)n1 ZINC000019715574 558976757 /nfs/dbraw/zinc/97/67/57/558976757.db2.gz NXUHHMAWZFKULM-XMMPIXPASA-N 1 2 404.514 3.806 40 0 HHABLO CCn1cc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2c2cccc(OC)c2)c(C)n1 ZINC000019715574 558976759 /nfs/dbraw/zinc/97/67/59/558976759.db2.gz NXUHHMAWZFKULM-XMMPIXPASA-N 1 2 404.514 3.806 40 0 HHABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)c4nc5ccccc5n(C)c4=O)cc3)[nH+]c2c1 ZINC000019718490 558981788 /nfs/dbraw/zinc/98/17/88/558981788.db2.gz GDJYMFIQZNKTFF-UHFFFAOYSA-N 1 2 423.476 3.961 40 0 HHABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)CCOc2ccc(F)cc2)CC3)cc1 ZINC000585111675 559030746 /nfs/dbraw/zinc/03/07/46/559030746.db2.gz ZUOFPXHDRDYUNU-UHFFFAOYSA-N 1 2 409.461 3.552 40 0 HHABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)CCOc2ccc(F)cc2)CC3)c1 ZINC000585111340 559031936 /nfs/dbraw/zinc/03/19/36/559031936.db2.gz PAXSMHJUDYKSMV-UHFFFAOYSA-N 1 2 423.488 3.689 40 0 HHABLO O=C(c1ccc2ncccc2c1)N1CCC[C@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096075751 559094580 /nfs/dbraw/zinc/09/45/80/559094580.db2.gz WIGGPWLHYQELEY-UUOWRZLLSA-N 1 2 402.498 3.753 40 0 HHABLO COc1ccc(C[NH2+][C@H](c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)C(C)C)cc1 ZINC000100769451 559140151 /nfs/dbraw/zinc/14/01/51/559140151.db2.gz WZYLYOBTJNKEPC-QHCPKHFHSA-N 1 2 410.518 3.824 40 0 HHABLO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCc3c[nH+]c[nH]3)CCCO2)c1 ZINC000072345657 559181874 /nfs/dbraw/zinc/18/18/74/559181874.db2.gz DDWDLFJINIQGMX-DEOSSOPVSA-N 1 2 405.498 3.536 40 0 HHABLO COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCc3c[nH]c[nH+]3)CCCO2)c1 ZINC000072345657 559181876 /nfs/dbraw/zinc/18/18/76/559181876.db2.gz DDWDLFJINIQGMX-DEOSSOPVSA-N 1 2 405.498 3.536 40 0 HHABLO O=C(N[C@@H](NCC[NH+]1CCCCC1)C(Cl)(Cl)Cl)[C@@H]1C[C@@H]1c1ccccc1 ZINC000170614187 559278729 /nfs/dbraw/zinc/27/87/29/559278729.db2.gz NGJOOEHAMYQXBM-JFIYKMOQSA-N 1 2 418.796 3.678 40 0 HHABLO C[C@@]1(O)CC[N@H+](Cc2ccncc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289888 560031318 /nfs/dbraw/zinc/03/13/18/560031318.db2.gz LLHMKXCVLWEFLN-QNWVGRARSA-N 1 2 407.539 3.640 40 0 biogenic,in-vitro HHABLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289888 560031320 /nfs/dbraw/zinc/03/13/20/560031320.db2.gz LLHMKXCVLWEFLN-QNWVGRARSA-N 1 2 407.539 3.640 40 0 biogenic,in-vitro HHABLO CCOC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1 ZINC000000891505 560542987 /nfs/dbraw/zinc/54/29/87/560542987.db2.gz IJADJCLZZNQISU-UHFFFAOYSA-N 1 2 407.499 3.584 40 0 HHABLO O=C(Cc1ccccc1)NC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000004909239 560617954 /nfs/dbraw/zinc/61/79/54/560617954.db2.gz YJDWOSIONZKMOW-UHFFFAOYSA-N 1 2 420.340 3.755 40 0 HHABLO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000008578946 560637523 /nfs/dbraw/zinc/63/75/23/560637523.db2.gz JHEUUNWHIUQEPS-UHFFFAOYSA-N 1 2 424.549 3.613 40 0 HHABLO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 ZINC000008578946 560637525 /nfs/dbraw/zinc/63/75/25/560637525.db2.gz JHEUUNWHIUQEPS-UHFFFAOYSA-N 1 2 424.549 3.613 40 0 HHABLO CC(C)C[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013504732 560812882 /nfs/dbraw/zinc/81/28/82/560812882.db2.gz MRGYRKJJISETLZ-JOCHJYFZSA-N 1 2 408.525 3.770 40 0 HHABLO Cc1ccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000020139293 560880984 /nfs/dbraw/zinc/88/09/84/560880984.db2.gz GKJVPDNNLVXYSU-NRFANRHFSA-N 1 2 408.525 3.787 40 0 HHABLO COc1ccc2c(c1)[C@H](NC(=O)c1cccc(C[NH+]3CCOCC3)c1)CC(C)(C)O2 ZINC000219246910 568488438 /nfs/dbraw/zinc/48/84/38/568488438.db2.gz VGLJCVLCPPYOGC-OAQYLSRUSA-N 1 2 410.514 3.560 40 0 HHABLO C[C@@]1(O)CC[N@H+](Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383350 568489689 /nfs/dbraw/zinc/48/96/89/568489689.db2.gz YQXLHFLNHBLJFI-WPFOTENUSA-N 1 2 411.521 3.594 40 0 biogenic,in-vitro HHABLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2F)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383350 568489690 /nfs/dbraw/zinc/48/96/90/568489690.db2.gz YQXLHFLNHBLJFI-WPFOTENUSA-N 1 2 411.521 3.594 40 0 biogenic,in-vitro HHABLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000057688540 568494348 /nfs/dbraw/zinc/49/43/48/568494348.db2.gz WYZXEPZTJKORNT-CALCHBBNSA-N 1 2 416.566 3.861 40 0 HHABLO CCCC[C@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671584 568495264 /nfs/dbraw/zinc/49/52/64/568495264.db2.gz WKYHGPLZNPEQOG-HXUWFJFHSA-N 1 2 414.554 3.976 40 0 HHABLO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)OCc1ccccc1 ZINC000057710333 568495914 /nfs/dbraw/zinc/49/59/14/568495914.db2.gz NWWKLKBUBAHSHB-UHFFFAOYSA-N 1 2 418.419 3.830 40 0 HHABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1cccn1Cc1ccccc1F)C2 ZINC000057731356 568496403 /nfs/dbraw/zinc/49/64/03/568496403.db2.gz YHRGAHRODONERG-UHFFFAOYSA-N 1 2 421.520 3.720 40 0 HHABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1cccn1Cc1ccccc1F)C2 ZINC000057731356 568496404 /nfs/dbraw/zinc/49/64/04/568496404.db2.gz YHRGAHRODONERG-UHFFFAOYSA-N 1 2 421.520 3.720 40 0 HHABLO Cc1c(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000219852897 568499106 /nfs/dbraw/zinc/49/91/06/568499106.db2.gz XAJXJQGSMGKAFY-UHFFFAOYSA-N 1 2 404.514 3.648 40 0 HHABLO COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000026851828 568558787 /nfs/dbraw/zinc/55/87/87/568558787.db2.gz ZWAWMFMLFCFDMR-WBADGQHESA-N 1 2 424.456 3.528 40 0 HHABLO COC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000026851828 568558790 /nfs/dbraw/zinc/55/87/90/568558790.db2.gz ZWAWMFMLFCFDMR-WBADGQHESA-N 1 2 424.456 3.528 40 0 HHABLO CCc1nnc(Nc2cccc([C@@H]3C[N@H+](Cc4cnc(C)s4)CCO3)n2)s1 ZINC000257245475 568789172 /nfs/dbraw/zinc/78/91/72/568789172.db2.gz IPQYJVTVYWLVNY-HNNXBMFYSA-N 1 2 402.549 3.578 40 0 HHABLO CCc1nnc(Nc2cccc([C@@H]3C[N@@H+](Cc4cnc(C)s4)CCO3)n2)s1 ZINC000257245475 568789174 /nfs/dbraw/zinc/78/91/74/568789174.db2.gz IPQYJVTVYWLVNY-HNNXBMFYSA-N 1 2 402.549 3.578 40 0 HHABLO COc1ccc(CCCNc2cc(-c3cc(C(C)(C)C)nn3C)[nH+]c(N)n2)cc1OC ZINC000257275914 568797434 /nfs/dbraw/zinc/79/74/34/568797434.db2.gz NRMVLMQJTLLXNC-UHFFFAOYSA-N 1 2 424.549 3.819 40 0 HHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257292249 568802211 /nfs/dbraw/zinc/80/22/11/568802211.db2.gz QKQSVFLGHOIWFI-FQEVSTJZSA-N 1 2 412.563 3.822 40 0 HHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257292249 568802212 /nfs/dbraw/zinc/80/22/12/568802212.db2.gz QKQSVFLGHOIWFI-FQEVSTJZSA-N 1 2 412.563 3.822 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)c1 ZINC000257324837 568811898 /nfs/dbraw/zinc/81/18/98/568811898.db2.gz WQKJHAFHIWOHTK-ISKFKSNPSA-N 1 2 412.505 3.913 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)c1 ZINC000257324837 568811900 /nfs/dbraw/zinc/81/19/00/568811900.db2.gz WQKJHAFHIWOHTK-ISKFKSNPSA-N 1 2 412.505 3.913 40 0 HHABLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)cn1 ZINC000306124445 568887493 /nfs/dbraw/zinc/88/74/93/568887493.db2.gz BPSBGFUUYJGFHQ-CTNGQTDRSA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccsc4)ccc2S3(=O)=O)cn1 ZINC000306124445 568887495 /nfs/dbraw/zinc/88/74/95/568887495.db2.gz BPSBGFUUYJGFHQ-CTNGQTDRSA-N 1 2 413.568 3.948 40 0 HHABLO Cc1cc(CN2CCC[C@@]3(C[N@H+](Cc4ccccc4C)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306125298 568888120 /nfs/dbraw/zinc/88/81/20/568888120.db2.gz CLOBJSQYBDVBPV-JOCHJYFZSA-N 1 2 416.516 3.687 40 0 HHABLO Cc1cc(CN2CCC[C@@]3(C[N@@H+](Cc4ccccc4C)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306125298 568888122 /nfs/dbraw/zinc/88/81/22/568888122.db2.gz CLOBJSQYBDVBPV-JOCHJYFZSA-N 1 2 416.516 3.687 40 0 HHABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccccc5)CCO4)nnn3c2)cc1 ZINC000306129283 568891833 /nfs/dbraw/zinc/89/18/33/568891833.db2.gz HZHLVBXZKZHEOO-HSZRJFAPSA-N 1 2 400.482 3.978 40 0 HHABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccccc5)CCO4)nnn3c2)cc1 ZINC000306129283 568891835 /nfs/dbraw/zinc/89/18/35/568891835.db2.gz HZHLVBXZKZHEOO-HSZRJFAPSA-N 1 2 400.482 3.978 40 0 HHABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1ccoc1)CC21CCN(c2ncccn2)CC1 ZINC000306130853 568893031 /nfs/dbraw/zinc/89/30/31/568893031.db2.gz JREKQOCOIAVQSB-UHFFFAOYSA-N 1 2 406.534 3.709 40 0 HHABLO Clc1cccc(C[NH+]2CCN(c3nccn4c(-c5cccnc5)cnc34)CC2)c1 ZINC000306134150 568896012 /nfs/dbraw/zinc/89/60/12/568896012.db2.gz NELBECLNXYDNQZ-UHFFFAOYSA-N 1 2 404.905 3.767 40 0 HHABLO Cc1cccc(CN2CCC[C@@]3(C[N@H+](Cc4ccc(O)cc4)CC(F)(F)C3)C2=O)n1 ZINC000306140534 568902403 /nfs/dbraw/zinc/90/24/03/568902403.db2.gz UWPXDMDXQQKBME-JOCHJYFZSA-N 1 2 415.484 3.746 40 0 HHABLO Cc1cccc(CN2CCC[C@@]3(C[N@@H+](Cc4ccc(O)cc4)CC(F)(F)C3)C2=O)n1 ZINC000306140534 568902404 /nfs/dbraw/zinc/90/24/04/568902404.db2.gz UWPXDMDXQQKBME-JOCHJYFZSA-N 1 2 415.484 3.746 40 0 HHABLO CC[C@H](C)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328974306 568970704 /nfs/dbraw/zinc/97/07/04/568970704.db2.gz FFKHYPFKCYMHFK-XJKSGUPXSA-N 1 2 410.440 3.687 40 0 HHABLO CNc1nc(Nc2ccc(I)cc2F)cc(-c2ccccc2)[nH+]1 ZINC000329017417 568972733 /nfs/dbraw/zinc/97/27/33/568972733.db2.gz NLUOZCLKMNZLSA-UHFFFAOYSA-N 1 2 420.229 3.516 40 0 HHABLO CC[C@@H](C)Nc1nc(Nc2cc(C(=O)OC)ccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000329038069 568974133 /nfs/dbraw/zinc/97/41/33/568974133.db2.gz RQZFSEGLUCSCGT-OAHLLOKOSA-N 1 2 406.486 3.737 40 0 HHABLO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000248124847 569316373 /nfs/dbraw/zinc/31/63/73/569316373.db2.gz LHPFWQPHMBVPCQ-YADHBBJMSA-N 1 2 407.493 3.546 40 0 HHABLO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000248124847 569316375 /nfs/dbraw/zinc/31/63/75/569316375.db2.gz LHPFWQPHMBVPCQ-YADHBBJMSA-N 1 2 407.493 3.546 40 0 HHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@H](c2ccc(-c3cc[nH]n3)cn2)C1 ZINC000019692436 569346040 /nfs/dbraw/zinc/34/60/40/569346040.db2.gz AZZZIKUYPCEQJB-QHCPKHFHSA-N 1 2 414.513 3.659 40 0 HHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@H](c2ccc(-c3cc[nH]n3)cn2)C1 ZINC000019692436 569346041 /nfs/dbraw/zinc/34/60/41/569346041.db2.gz AZZZIKUYPCEQJB-QHCPKHFHSA-N 1 2 414.513 3.659 40 0 HHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)s1 ZINC000019693038 569346296 /nfs/dbraw/zinc/34/62/96/569346296.db2.gz FCQGYLQONHPTLR-IBGZPJMESA-N 1 2 413.522 3.687 40 0 HHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)s1 ZINC000019693038 569346297 /nfs/dbraw/zinc/34/62/97/569346297.db2.gz FCQGYLQONHPTLR-IBGZPJMESA-N 1 2 413.522 3.687 40 0 HHABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@H+](Cc3ccccc3F)CCO2)cc1 ZINC000019694907 569346702 /nfs/dbraw/zinc/34/67/02/569346702.db2.gz RDXCQJHTFMTIJR-JOCHJYFZSA-N 1 2 422.504 3.931 40 0 HHABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@@H+](Cc3ccccc3F)CCO2)cc1 ZINC000019694907 569346703 /nfs/dbraw/zinc/34/67/03/569346703.db2.gz RDXCQJHTFMTIJR-JOCHJYFZSA-N 1 2 422.504 3.931 40 0 HHABLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)c1OC1CCCC1 ZINC000019764666 569348951 /nfs/dbraw/zinc/34/89/51/569348951.db2.gz CBKVIZZOGBOPSJ-HXUWFJFHSA-N 1 2 424.545 3.941 40 0 HHABLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc(C(N)=O)c(C)n2)c1OC1CCCC1 ZINC000019764666 569348952 /nfs/dbraw/zinc/34/89/52/569348952.db2.gz CBKVIZZOGBOPSJ-HXUWFJFHSA-N 1 2 424.545 3.941 40 0 HHABLO Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[NH+]2CCOCC2)cc1 ZINC000141557206 569354828 /nfs/dbraw/zinc/35/48/28/569354828.db2.gz NSEJPKLHUADUFJ-XMMPIXPASA-N 1 2 407.558 3.789 40 0 HHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(Cl)cc1 ZINC000261361769 569413415 /nfs/dbraw/zinc/41/34/15/569413415.db2.gz ASRVYEOGYGWQLX-IBGZPJMESA-O 1 2 413.910 3.816 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1OC ZINC000261365770 569413733 /nfs/dbraw/zinc/41/37/33/569413733.db2.gz VDVIZGSPXJLYQZ-OAQYLSRUSA-O 1 2 423.518 3.561 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)o1 ZINC000261364263 569413794 /nfs/dbraw/zinc/41/37/94/569413794.db2.gz KGTWCHCBUIWBSR-HXUWFJFHSA-O 1 2 411.507 3.844 40 0 HHABLO COc1ccc2nc(CO[C@H]3C[N@H+](Cc4ccnc5ccccc45)C[C@H]3F)[nH]c2c1 ZINC000096112276 291255606 /nfs/dbraw/zinc/25/56/06/291255606.db2.gz YRGKWWLJFUJXTC-GCJKJVERSA-N 1 2 406.461 3.859 40 0 biogenic,in-vitro HHABLO COc1ccc2nc(CO[C@H]3C[N@@H+](Cc4ccnc5ccccc45)C[C@H]3F)[nH]c2c1 ZINC000096112276 291255610 /nfs/dbraw/zinc/25/56/10/291255610.db2.gz YRGKWWLJFUJXTC-GCJKJVERSA-N 1 2 406.461 3.859 40 0 biogenic,in-vitro HHABLO c1csc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c1 ZINC000015707237 291260280 /nfs/dbraw/zinc/26/02/80/291260280.db2.gz XVSYUCWUHPZSSP-INIZCTEOSA-N 1 2 407.455 3.550 40 0 biogenic,in-vitro HHABLO O=C(COc1ccc(Br)cc1Cl)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044884073 526947982 /nfs/dbraw/zinc/94/79/82/526947982.db2.gz GGAGYYIHDZRTMP-UHFFFAOYSA-N 1 2 420.694 3.983 40 0 HHABLO Cc1[nH+]c2ccccc2n1CCC(=O)NN1C(=O)CS[C@@H]1c1ccccc1Cl ZINC000003851085 557501107 /nfs/dbraw/zinc/50/11/07/557501107.db2.gz HJFJVKPUXNFUJB-HXUWFJFHSA-N 1 2 414.918 3.694 40 0 HHABLO CC[NH+](CC)CN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O ZINC000408718126 557760678 /nfs/dbraw/zinc/76/06/78/557760678.db2.gz KXMXHAWUSJRCAG-UKTHLTGXSA-N 1 2 416.284 3.627 40 0 HHABLO Cc1cc(N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)nc(-c2ccccc2)[nH+]1 ZINC000019740768 558261616 /nfs/dbraw/zinc/26/16/16/558261616.db2.gz RPAXDXGCHPNDGL-LJQANCHMSA-N 1 2 414.513 3.801 40 0 HHABLO Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000019767061 558278986 /nfs/dbraw/zinc/27/89/86/558278986.db2.gz TTXSREVDOSVBRO-FQEVSTJZSA-N 1 2 414.937 3.638 40 0 HHABLO Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000019767061 558278988 /nfs/dbraw/zinc/27/89/88/558278988.db2.gz TTXSREVDOSVBRO-FQEVSTJZSA-N 1 2 414.937 3.638 40 0 HHABLO CCc1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)c(Br)c1 ZINC000020040212 558325951 /nfs/dbraw/zinc/32/59/51/558325951.db2.gz AQIKWJARUBVJJN-UHFFFAOYSA-N 1 2 414.303 3.892 40 0 HHABLO COc1cc2ccccc2cc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020050415 558328523 /nfs/dbraw/zinc/32/85/23/558328523.db2.gz HVTWESGAONMSDN-UHFFFAOYSA-N 1 2 404.466 3.535 40 0 HHABLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)c1 ZINC000012116460 558328604 /nfs/dbraw/zinc/32/86/04/558328604.db2.gz RMLUZGROFPWSFN-SJORKVTESA-N 1 2 422.529 3.684 40 0 HHABLO C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013708433 558575063 /nfs/dbraw/zinc/57/50/63/558575063.db2.gz NJQBTWGUONGGEW-GOSISDBHSA-N 1 2 418.493 3.680 40 0 HHABLO Cc1cc(C)nc(Nc2nc(=O)c3c4c(sc3[nH]2)C[N@@H+](Cc2ccccc2)CC4)n1 ZINC000024302380 558594551 /nfs/dbraw/zinc/59/45/51/558594551.db2.gz YTBPGLUXZGMLAQ-UHFFFAOYSA-N 1 2 418.526 3.693 40 0 HHABLO Cc1cc(C)nc(Nc2nc(=O)c3c4c(sc3[nH]2)C[N@H+](Cc2ccccc2)CC4)n1 ZINC000024302380 558594554 /nfs/dbraw/zinc/59/45/54/558594554.db2.gz YTBPGLUXZGMLAQ-UHFFFAOYSA-N 1 2 418.526 3.693 40 0 HHABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000019286706 558860614 /nfs/dbraw/zinc/86/06/14/558860614.db2.gz CXXDFRZIAIJGJX-AZUAARDMSA-N 1 2 410.562 3.622 40 0 HHABLO COc1cccc(C[N@@H+](Cc2[nH]nnc2-c2ccccc2)C[C@@H]2CCCO2)c1OC ZINC000019567518 558926872 /nfs/dbraw/zinc/92/68/72/558926872.db2.gz BQOXJGQKOQEVME-IBGZPJMESA-N 1 2 408.502 3.670 40 0 HHABLO COc1cccc(C[N@H+](Cc2[nH]nnc2-c2ccccc2)C[C@@H]2CCCO2)c1OC ZINC000019567518 558926873 /nfs/dbraw/zinc/92/68/73/558926873.db2.gz BQOXJGQKOQEVME-IBGZPJMESA-N 1 2 408.502 3.670 40 0 HHABLO O[C@@H](c1nccs1)c1cccc(F)c1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000072340592 558939317 /nfs/dbraw/zinc/93/93/17/558939317.db2.gz CEDUYQBBORYNSH-HXUWFJFHSA-N 1 2 419.472 3.964 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370238 558956516 /nfs/dbraw/zinc/95/65/16/558956516.db2.gz JKQZVZYWAWAVGX-GOSISDBHSA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370238 558956518 /nfs/dbraw/zinc/95/65/18/558956518.db2.gz JKQZVZYWAWAVGX-GOSISDBHSA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000072370248 558956571 /nfs/dbraw/zinc/95/65/71/558956571.db2.gz WDPFCYCCAPHUIO-LJQANCHMSA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000072370248 558956575 /nfs/dbraw/zinc/95/65/75/558956575.db2.gz WDPFCYCCAPHUIO-LJQANCHMSA-N 1 2 418.522 3.778 40 0 HHABLO Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(CC(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000072374857 558963112 /nfs/dbraw/zinc/96/31/12/558963112.db2.gz WHDISMRIMGVCFG-LJQANCHMSA-N 1 2 422.577 3.894 40 0 HHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000019697673 558965352 /nfs/dbraw/zinc/96/53/52/558965352.db2.gz XNFAYMYXTKNSBH-GOSISDBHSA-N 1 2 412.559 3.655 40 0 HHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000019697673 558965353 /nfs/dbraw/zinc/96/53/53/558965353.db2.gz XNFAYMYXTKNSBH-GOSISDBHSA-N 1 2 412.559 3.655 40 0 HHABLO Cc1cccc(Nc2cncc([C@H]3CCC[N@H+]3CC(=O)N(C)C3CCCCC3)n2)n1 ZINC000072376256 558965420 /nfs/dbraw/zinc/96/54/20/558965420.db2.gz NIVQZCWADMYKPW-HXUWFJFHSA-N 1 2 408.550 3.852 40 0 HHABLO Cc1cccc(Nc2cncc([C@H]3CCC[N@@H+]3CC(=O)N(C)C3CCCCC3)n2)n1 ZINC000072376256 558965421 /nfs/dbraw/zinc/96/54/21/558965421.db2.gz NIVQZCWADMYKPW-HXUWFJFHSA-N 1 2 408.550 3.852 40 0 HHABLO COc1ccc(C[N@@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c(OC)c1 ZINC000072394287 558973530 /nfs/dbraw/zinc/97/35/30/558973530.db2.gz FQVCHOVSKAWMPY-HNNXBMFYSA-N 1 2 424.950 3.535 40 0 HHABLO COc1ccc(C[N@H+]2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c(OC)c1 ZINC000072394287 558973532 /nfs/dbraw/zinc/97/35/32/558973532.db2.gz FQVCHOVSKAWMPY-HNNXBMFYSA-N 1 2 424.950 3.535 40 0 HHABLO O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 ZINC000257204561 558989016 /nfs/dbraw/zinc/98/90/16/558989016.db2.gz AVELYPIAKQBVGY-WGSAOQKQSA-N 1 2 404.518 3.606 40 0 HHABLO Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000257271019 558997156 /nfs/dbraw/zinc/99/71/56/558997156.db2.gz MWMUABRFELVNJP-WGSAOQKQSA-N 1 2 404.518 3.524 40 0 HHABLO CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000118917666 559205719 /nfs/dbraw/zinc/20/57/19/559205719.db2.gz ZFVBYRDTMKLTPA-HGEDBORQSA-N 1 2 415.574 3.639 40 0 HHABLO COc1ccc(OCCc2cc([C@H]3C[N@H+](CCc4ccccc4)CCO3)n[nH]2)cc1 ZINC000257201663 559282409 /nfs/dbraw/zinc/28/24/09/559282409.db2.gz AILVQVMYXDDDDS-XMMPIXPASA-N 1 2 407.514 3.656 40 0 HHABLO COc1ccc(OCCc2cc([C@H]3C[N@@H+](CCc4ccccc4)CCO3)n[nH]2)cc1 ZINC000257201663 559282411 /nfs/dbraw/zinc/28/24/11/559282411.db2.gz AILVQVMYXDDDDS-XMMPIXPASA-N 1 2 407.514 3.656 40 0 HHABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)N1CCSc2ccccc21 ZINC000257248555 559284398 /nfs/dbraw/zinc/28/43/98/559284398.db2.gz JEEQEROIOIBOSK-UPVQGACJSA-N 1 2 424.566 3.576 40 0 HHABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)N1CCSc2ccccc21 ZINC000257248555 559284400 /nfs/dbraw/zinc/28/44/00/559284400.db2.gz JEEQEROIOIBOSK-UPVQGACJSA-N 1 2 424.566 3.576 40 0 HHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000893290 560543107 /nfs/dbraw/zinc/54/31/07/560543107.db2.gz MDDOHERUVLKQOH-OAQYLSRUSA-N 1 2 406.534 3.767 40 0 HHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000890228 560542391 /nfs/dbraw/zinc/54/23/91/560542391.db2.gz PTCLWSGFWNACDV-OAQYLSRUSA-N 1 2 422.533 3.604 40 0 HHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc12 ZINC000000894106 560543637 /nfs/dbraw/zinc/54/36/37/560543637.db2.gz LYHHFJYAADTCQI-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCCCC1 ZINC000000909134 560545876 /nfs/dbraw/zinc/54/58/76/560545876.db2.gz HQHGUCJYCGMZBY-FQEVSTJZSA-N 1 2 408.550 3.852 40 0 HHABLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000004966696 560621733 /nfs/dbraw/zinc/62/17/33/560621733.db2.gz LNXBBVMKUHSDDL-UHFFFAOYSA-N 1 2 401.304 3.983 40 0 HHABLO COC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000008969531 560640263 /nfs/dbraw/zinc/64/02/63/560640263.db2.gz ZWAWMFMLFCFDMR-MYDTUXCISA-N 1 2 424.456 3.528 40 0 HHABLO COC(=O)[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000008969531 560640265 /nfs/dbraw/zinc/64/02/65/560640265.db2.gz ZWAWMFMLFCFDMR-MYDTUXCISA-N 1 2 424.456 3.528 40 0 HHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000012717037 560786339 /nfs/dbraw/zinc/78/63/39/560786339.db2.gz YVVIEIJUWGNPIF-VFNWGFHPSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000012717037 560786340 /nfs/dbraw/zinc/78/63/40/560786340.db2.gz YVVIEIJUWGNPIF-VFNWGFHPSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1cccc(OCc2nnc(SCC[NH+]3CCOCC3)n2-c2cccc(C)c2)c1 ZINC000020151144 560881744 /nfs/dbraw/zinc/88/17/44/560881744.db2.gz LWICSIIVCDKKFI-UHFFFAOYSA-N 1 2 424.570 3.887 40 0 HHABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)c(C)c1 ZINC000005206089 568442643 /nfs/dbraw/zinc/44/26/43/568442643.db2.gz ZJJGWZQWROXYET-BURNTYAHSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)c(C)c1 ZINC000005206089 568442645 /nfs/dbraw/zinc/44/26/45/568442645.db2.gz ZJJGWZQWROXYET-BURNTYAHSA-N 1 2 422.912 3.792 40 0 HHABLO COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C[NH+]3CCOCC3)c1)CC(C)(C)O2 ZINC000219246839 568488420 /nfs/dbraw/zinc/48/84/20/568488420.db2.gz VGLJCVLCPPYOGC-NRFANRHFSA-N 1 2 410.514 3.560 40 0 HHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670903 568495032 /nfs/dbraw/zinc/49/50/32/568495032.db2.gz ANEVYSFZNGFIKR-JOCHJYFZSA-N 1 2 420.561 3.620 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3Cc3cccs3)C(C)C)CC2)c1 ZINC000057671538 568495242 /nfs/dbraw/zinc/49/52/42/568495242.db2.gz CDJJAOBUGSXYAX-OAQYLSRUSA-N 1 2 410.591 3.919 40 0 HHABLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000225610344 568656791 /nfs/dbraw/zinc/65/67/91/568656791.db2.gz VVRWKVKHMPTRJH-LJQANCHMSA-N 1 2 424.541 3.959 40 0 HHABLO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225662921 568661404 /nfs/dbraw/zinc/66/14/04/568661404.db2.gz UBCYTJPAYRFDHR-CVDCTZTESA-N 1 2 404.551 3.712 40 0 HHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)CC[N@@H+]2C)c1 ZINC000257234798 568786217 /nfs/dbraw/zinc/78/62/17/568786217.db2.gz GVCYQSQJVOUOBR-HSZRJFAPSA-N 1 2 419.569 3.763 40 0 HHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)CC[N@H+]2C)c1 ZINC000257234798 568786218 /nfs/dbraw/zinc/78/62/18/568786218.db2.gz GVCYQSQJVOUOBR-HSZRJFAPSA-N 1 2 419.569 3.763 40 0 HHABLO CCCN1CC[N@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257246120 568789157 /nfs/dbraw/zinc/78/91/57/568789157.db2.gz ISODMHDRGOUSIW-JOCHJYFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CC[N@@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257246120 568789159 /nfs/dbraw/zinc/78/91/59/568789159.db2.gz ISODMHDRGOUSIW-JOCHJYFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CCN(Cc2[nH]cc[nH+]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257246120 568789160 /nfs/dbraw/zinc/78/91/60/568789160.db2.gz ISODMHDRGOUSIW-JOCHJYFZSA-N 1 2 402.542 3.990 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3nnc(C)s3)n2)C1 ZINC000257262706 568793636 /nfs/dbraw/zinc/79/36/36/568793636.db2.gz LMMOJICLGCAYLM-IBGZPJMESA-N 1 2 411.531 3.876 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(Nc3nnc(C)s3)n2)C1 ZINC000257262706 568793638 /nfs/dbraw/zinc/79/36/38/568793638.db2.gz LMMOJICLGCAYLM-IBGZPJMESA-N 1 2 411.531 3.876 40 0 HHABLO COc1ccc(C2(C(=O)N3CCC[C@H](c4cc[nH+]c(N(C)C)c4)C3)CCOCC2)cc1 ZINC000257278701 568798088 /nfs/dbraw/zinc/79/80/88/568798088.db2.gz ODHIIDYJMGNAIM-FQEVSTJZSA-N 1 2 423.557 3.611 40 0 HHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)CCCC3)C[C@@H]1Oc1cccc(F)c1 ZINC000257282294 568799214 /nfs/dbraw/zinc/79/92/14/568799214.db2.gz OTDZXPXLFKZBEH-UPVQGACJSA-N 1 2 412.505 3.547 40 0 HHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCCC3)C[C@@H]1Oc1cccc(F)c1 ZINC000257282294 568799217 /nfs/dbraw/zinc/79/92/17/568799217.db2.gz OTDZXPXLFKZBEH-UPVQGACJSA-N 1 2 412.505 3.547 40 0 HHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cn1 ZINC000257320976 568810663 /nfs/dbraw/zinc/81/06/63/568810663.db2.gz VZOVKMSVFYKMII-XMMPIXPASA-N 1 2 423.561 3.945 40 0 HHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cn1 ZINC000257320976 568810665 /nfs/dbraw/zinc/81/06/65/568810665.db2.gz VZOVKMSVFYKMII-XMMPIXPASA-N 1 2 423.561 3.945 40 0 HHABLO CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CN(C(=O)CCn4cc[nH+]c4)C3)C[C@@H]21 ZINC000257321045 568810668 /nfs/dbraw/zinc/81/06/68/568810668.db2.gz VZWAVVQATCUTOS-FXAWDEMLSA-N 1 2 415.921 3.704 40 0 HHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1Oc1cccc(F)c1 ZINC000257331696 568813581 /nfs/dbraw/zinc/81/35/81/568813581.db2.gz XTWUKTXXALWZBB-UPVQGACJSA-N 1 2 408.473 3.822 40 0 HHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@@H]1Oc1cccc(F)c1 ZINC000257331696 568813582 /nfs/dbraw/zinc/81/35/82/568813582.db2.gz XTWUKTXXALWZBB-UPVQGACJSA-N 1 2 408.473 3.822 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1Cl ZINC000261364527 568819571 /nfs/dbraw/zinc/81/95/71/568819571.db2.gz LYJBXJWHGPWTJC-IBGZPJMESA-O 1 2 413.910 3.816 40 0 HHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1sccc1C ZINC000261366296 568819744 /nfs/dbraw/zinc/81/97/44/568819744.db2.gz YQSOSXRLVGVBDD-LJQANCHMSA-O 1 2 413.548 3.922 40 0 HHABLO CCOc1ccccc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261366377 568819786 /nfs/dbraw/zinc/81/97/86/568819786.db2.gz ZHZMMOXSWLGDOT-OAQYLSRUSA-O 1 2 423.518 3.561 40 0 HHABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1nccs1)CC21CCN(c2ncccn2)CC1 ZINC000306124078 568887083 /nfs/dbraw/zinc/88/70/83/568887083.db2.gz BFLFTGKOHWUGAJ-UHFFFAOYSA-N 1 2 423.590 3.573 40 0 HHABLO c1c([C@@H]2CN(Cc3ccccn3)CC[N@H+]2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306125162 568887833 /nfs/dbraw/zinc/88/78/33/568887833.db2.gz CIDXZGVWBQOGDK-QHCPKHFHSA-N 1 2 416.573 3.598 40 0 HHABLO c1c([C@@H]2CN(Cc3ccccn3)CC[N@@H+]2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306125162 568887834 /nfs/dbraw/zinc/88/78/34/568887834.db2.gz CIDXZGVWBQOGDK-QHCPKHFHSA-N 1 2 416.573 3.598 40 0 HHABLO COc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126362 568889027 /nfs/dbraw/zinc/88/90/27/568889027.db2.gz DTKJXRQRAMPWGY-RBBKRZOGSA-N 1 2 424.497 3.652 40 0 HHABLO COc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126362 568889028 /nfs/dbraw/zinc/88/90/28/568889028.db2.gz DTKJXRQRAMPWGY-RBBKRZOGSA-N 1 2 424.497 3.652 40 0 HHABLO Cc1ncsc1C[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccsc3)ccc1S2(=O)=O ZINC000306138359 568900405 /nfs/dbraw/zinc/90/04/05/568900405.db2.gz RVVMKMGFSYUUPQ-APWZRJJASA-N 1 2 402.566 3.935 40 0 HHABLO Cc1ncsc1C[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3ccsc3)ccc1S2(=O)=O ZINC000306138359 568900408 /nfs/dbraw/zinc/90/04/08/568900408.db2.gz RVVMKMGFSYUUPQ-APWZRJJASA-N 1 2 402.566 3.935 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000306140259 568902153 /nfs/dbraw/zinc/90/21/53/568902153.db2.gz UOFOFPGTCDMVPU-GHTZIAJQSA-N 1 2 412.461 3.782 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000306140259 568902155 /nfs/dbraw/zinc/90/21/55/568902155.db2.gz UOFOFPGTCDMVPU-GHTZIAJQSA-N 1 2 412.461 3.782 40 0 HHABLO OCCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328956552 568969613 /nfs/dbraw/zinc/96/96/13/568969613.db2.gz AHFGPWIXZGCMAC-UHFFFAOYSA-N 1 2 408.811 3.807 40 0 HHABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cc1C(F)(F)F ZINC000328971261 568970558 /nfs/dbraw/zinc/97/05/58/568970558.db2.gz DPHUNUGPLBFCJH-AWEZNQCLSA-N 1 2 402.420 3.851 40 0 HHABLO CC[C@H](C)Nc1nc(Nc2cc(C(=O)OC)ccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000329038060 568974024 /nfs/dbraw/zinc/97/40/24/568974024.db2.gz RQZFSEGLUCSCGT-HNNXBMFYSA-N 1 2 406.486 3.737 40 0 HHABLO CC[C@@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000329044950 568974332 /nfs/dbraw/zinc/97/43/32/568974332.db2.gz SZDCWVZMLQQZPF-CQSZACIVSA-N 1 2 412.335 3.967 40 0 HHABLO O=C(C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)NC1CCCCC1 ZINC000036234994 569052256 /nfs/dbraw/zinc/05/22/56/569052256.db2.gz WIJAQJKKHDAQMA-UHFFFAOYSA-N 1 2 402.539 3.520 40 0 HHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(OC)cc1 ZINC000261362310 569413462 /nfs/dbraw/zinc/41/34/62/569413462.db2.gz CTXXYXYUPGALIH-NRFANRHFSA-O 1 2 423.518 3.561 40 0 HHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](Cc2cc3ccccc3o2)C1 ZINC000015675010 291260232 /nfs/dbraw/zinc/26/02/32/291260232.db2.gz FADCDRQCMVKNDI-WBVHZDCISA-N 1 2 405.410 3.519 40 0 biogenic,in-vitro HHABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000015675010 291260237 /nfs/dbraw/zinc/26/02/37/291260237.db2.gz FADCDRQCMVKNDI-WBVHZDCISA-N 1 2 405.410 3.519 40 0 biogenic,in-vitro HHABLO Cc1cccc(CSC2=[NH+][C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)c1 ZINC000032508762 524456599 /nfs/dbraw/zinc/45/65/99/524456599.db2.gz OHHXMJJMQJSFMW-OALUTQOASA-N 1 2 420.987 3.919 40 0 HHABLO O=C(NCCSCc1ccc(Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044840566 526371639 /nfs/dbraw/zinc/37/16/39/526371639.db2.gz MRDYSEAURIOIDO-UHFFFAOYSA-N 1 2 404.963 3.835 40 0 HHABLO O=C(C[NH+]1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1)Nc1nccs1 ZINC000072374187 526730776 /nfs/dbraw/zinc/73/07/76/526730776.db2.gz JPSOQTUXKJIBSN-UHFFFAOYSA-N 1 2 412.494 3.634 40 0 HHABLO O=S1(=O)C[C@H]2[C@@H](C1)[NH+]=C(SCc1ccccc1F)N2Cc1ccc(Cl)cc1 ZINC000032508753 527315429 /nfs/dbraw/zinc/31/54/29/527315429.db2.gz WCJUPGQZVWFSSL-MSOLQXFVSA-N 1 2 424.950 3.750 40 0 HHABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000894561 557113148 /nfs/dbraw/zinc/11/31/48/557113148.db2.gz LAICIYONRWRFBQ-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO Fc1cccc(Cl)c1COc1ccc(C(=S)NCC[NH+]2CCOCC2)cc1 ZINC000408576036 557479309 /nfs/dbraw/zinc/47/93/09/557479309.db2.gz PJFOLHAGQACIKG-UHFFFAOYSA-N 1 2 408.926 3.655 40 0 HHABLO Cc1nc([C@H]2CCCCN2Cc2[nH]cc[nH+]2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741149 558261766 /nfs/dbraw/zinc/26/17/66/558261766.db2.gz UYRSUTPLVPWGJL-HXUWFJFHSA-N 1 2 416.529 3.715 40 0 HHABLO COc1cccc([C@H]2NC3=[NH+]CN(Cc4ccccc4)CN3c3nc4ccccc4n32)c1 ZINC000019960474 558315541 /nfs/dbraw/zinc/31/55/41/558315541.db2.gz IGFFJHQFGQBPIU-QHCPKHFHSA-N 1 2 424.508 3.788 40 0 HHABLO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c(Cl)c1Cl ZINC000020040785 558325799 /nfs/dbraw/zinc/32/57/99/558325799.db2.gz ULIIDIGSDRKNHO-UHFFFAOYSA-N 1 2 412.298 3.666 40 0 HHABLO COc1cccc([C@H](NC(=O)c2nccc3ccccc32)c2[nH+]ccn2C)c1OC ZINC000012114978 558327647 /nfs/dbraw/zinc/32/76/47/558327647.db2.gz XOLREMXKPABMSA-IBGZPJMESA-N 1 2 402.454 3.505 40 0 HHABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000019286707 558860542 /nfs/dbraw/zinc/86/05/42/558860542.db2.gz CXXDFRZIAIJGJX-UYAOXDASSA-N 1 2 410.562 3.622 40 0 HHABLO CC(C)c1cccc(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000019366047 558876870 /nfs/dbraw/zinc/87/68/70/558876870.db2.gz PDKHDYYCCPDKCB-RPBOFIJWSA-N 1 2 422.569 3.767 40 0 HHABLO Cc1noc2nc([C@@H]3CCCN(C(=O)CCn4cc[nH+]c4)C3)cc(C(F)(F)F)c12 ZINC000019563886 558923927 /nfs/dbraw/zinc/92/39/27/558923927.db2.gz KLDFDFGVONIWQD-CYBMUJFWSA-N 1 2 407.396 3.543 40 0 HHABLO COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019565078 558925172 /nfs/dbraw/zinc/92/51/72/558925172.db2.gz FKYXMOBZXJQLRN-LJQANCHMSA-N 1 2 418.545 3.855 40 0 HHABLO COc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019565078 558925177 /nfs/dbraw/zinc/92/51/77/558925177.db2.gz FKYXMOBZXJQLRN-LJQANCHMSA-N 1 2 418.545 3.855 40 0 HHABLO COc1cccc(OC)c1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019567089 558926415 /nfs/dbraw/zinc/92/64/15/558926415.db2.gz GWHRBWXSKGZPKH-IBGZPJMESA-N 1 2 406.486 3.989 40 0 HHABLO COc1cccc(OC)c1C[N@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019567089 558926418 /nfs/dbraw/zinc/92/64/18/558926418.db2.gz GWHRBWXSKGZPKH-IBGZPJMESA-N 1 2 406.486 3.989 40 0 HHABLO Cc1nn([C@@H](C)CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c(C)c1Cl ZINC000019577550 558933396 /nfs/dbraw/zinc/93/33/96/558933396.db2.gz BGHQKGUKYXENTN-HXPMCKFVSA-N 1 2 403.889 3.883 40 0 HHABLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347832 558945012 /nfs/dbraw/zinc/94/50/12/558945012.db2.gz ZJIZXEQZVJTJIK-BHYGNILZSA-N 1 2 405.926 3.580 40 0 HHABLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347832 558945015 /nfs/dbraw/zinc/94/50/15/558945015.db2.gz ZJIZXEQZVJTJIK-BHYGNILZSA-N 1 2 405.926 3.580 40 0 HHABLO COc1ccccc1Cc1cccc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)n1 ZINC000072348911 558945640 /nfs/dbraw/zinc/94/56/40/558945640.db2.gz OZKFPQAUUUDPRY-UHFFFAOYSA-N 1 2 422.554 3.956 40 0 HHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000072350597 558947351 /nfs/dbraw/zinc/94/73/51/558947351.db2.gz CGAHWMYDZOTLTH-GOSISDBHSA-N 1 2 405.502 3.571 40 0 HHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072353705 558950603 /nfs/dbraw/zinc/95/06/03/558950603.db2.gz KTGNRSGHFGOXAO-GOSISDBHSA-N 1 2 420.488 3.958 40 0 HHABLO Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cnn1C ZINC000072354240 558951662 /nfs/dbraw/zinc/95/16/62/558951662.db2.gz MWMQTUQVYRQUMM-JOCHJYFZSA-N 1 2 417.557 3.841 40 0 HHABLO Cc1c(NC(=O)C[N@H+]2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cnn1C ZINC000072354240 558951663 /nfs/dbraw/zinc/95/16/63/558951663.db2.gz MWMQTUQVYRQUMM-JOCHJYFZSA-N 1 2 417.557 3.841 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000072370247 558956674 /nfs/dbraw/zinc/95/66/74/558956674.db2.gz WDPFCYCCAPHUIO-IBGZPJMESA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000072370247 558956676 /nfs/dbraw/zinc/95/66/76/558956676.db2.gz WDPFCYCCAPHUIO-IBGZPJMESA-N 1 2 418.522 3.778 40 0 HHABLO O=c1c(C[NH+]2CCOCC2)c(-c2ccccc2)[nH]n1-c1ccc(Cl)c(Cl)c1 ZINC000019690881 558960372 /nfs/dbraw/zinc/96/03/72/558960372.db2.gz FRHVKUHVTDGHPK-MRXNPFEDSA-N 1 2 404.297 3.693 40 0 HHABLO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCCC1 ZINC000072374493 558962183 /nfs/dbraw/zinc/96/21/83/558962183.db2.gz IOOHUEWHNXJWMJ-NRFANRHFSA-N 1 2 418.545 3.719 40 0 HHABLO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCCC1 ZINC000072374493 558962186 /nfs/dbraw/zinc/96/21/86/558962186.db2.gz IOOHUEWHNXJWMJ-NRFANRHFSA-N 1 2 418.545 3.719 40 0 HHABLO CNc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2Cl)nc2c1CCN(C(C)=O)C2 ZINC000072376538 558965797 /nfs/dbraw/zinc/96/57/97/558965797.db2.gz ZBTPKNSPZIHXPL-FQEVSTJZSA-N 1 2 413.953 3.804 40 0 HHABLO CNc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2Cl)nc2c1CCN(C(C)=O)C2 ZINC000072376538 558965801 /nfs/dbraw/zinc/96/58/01/558965801.db2.gz ZBTPKNSPZIHXPL-FQEVSTJZSA-N 1 2 413.953 3.804 40 0 HHABLO CCn1ccnc1C[NH+]1CCC([C@H]2CC=CCN(CCc3ccccc3)C2=O)CC1 ZINC000019698471 558965919 /nfs/dbraw/zinc/96/59/19/558965919.db2.gz QPVFORDMZXNVOZ-HSZRJFAPSA-N 1 2 406.574 3.762 40 0 HHABLO Cc1nc(C[N@H+](C)CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019698582 558966211 /nfs/dbraw/zinc/96/62/11/558966211.db2.gz KSBGUXAQLQATPA-UHFFFAOYSA-N 1 2 400.526 3.939 40 0 HHABLO Cc1nc(C[N@@H+](C)CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019698582 558966212 /nfs/dbraw/zinc/96/62/12/558966212.db2.gz KSBGUXAQLQATPA-UHFFFAOYSA-N 1 2 400.526 3.939 40 0 HHABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378451 558967542 /nfs/dbraw/zinc/96/75/42/558967542.db2.gz DDQHEHUCOZSRDL-HXUWFJFHSA-N 1 2 400.486 3.612 40 0 HHABLO Cc1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc2c1CCCN2CCc1ccccc1 ZINC000019705756 558968130 /nfs/dbraw/zinc/96/81/30/558968130.db2.gz HLOHVECCTWADMR-UHFFFAOYSA-N 1 2 416.573 3.883 40 0 HHABLO O=S(=O)(c1ccccc1F)N1CCC2(CCn3c(-c4ccccc4)c[nH+]c32)CC1 ZINC000096080109 559094812 /nfs/dbraw/zinc/09/48/12/559094812.db2.gz XKBGPLBFHCQBIA-UHFFFAOYSA-N 1 2 411.502 3.815 40 0 HHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC000100219580 559132143 /nfs/dbraw/zinc/13/21/43/559132143.db2.gz QDRZTEJONAZVRS-UXHICEINSA-N 1 2 411.509 3.937 40 0 HHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC000100219580 559132145 /nfs/dbraw/zinc/13/21/45/559132145.db2.gz QDRZTEJONAZVRS-UXHICEINSA-N 1 2 411.509 3.937 40 0 HHABLO COc1ccccc1[C@H]1CN(C(=O)C2(c3cccc(C)c3)CCOCC2)CC[N@@H+]1C ZINC000257265396 559284855 /nfs/dbraw/zinc/28/48/55/559284855.db2.gz LYMSWUVXDCKXQM-JOCHJYFZSA-N 1 2 408.542 3.567 40 0 HHABLO COc1ccccc1[C@H]1CN(C(=O)C2(c3cccc(C)c3)CCOCC2)CC[N@H+]1C ZINC000257265396 559284857 /nfs/dbraw/zinc/28/48/57/559284857.db2.gz LYMSWUVXDCKXQM-JOCHJYFZSA-N 1 2 408.542 3.567 40 0 HHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000000889218 560542289 /nfs/dbraw/zinc/54/22/89/560542289.db2.gz CDSHCQQMWDDXMB-OAQYLSRUSA-N 1 2 406.534 3.759 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCCCC1 ZINC000000909133 560545897 /nfs/dbraw/zinc/54/58/97/560545897.db2.gz HQHGUCJYCGMZBY-HXUWFJFHSA-N 1 2 408.550 3.852 40 0 HHABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2SCC(=O)c1ccc2c(c1)OCCO2 ZINC000001346277 560576386 /nfs/dbraw/zinc/57/63/86/560576386.db2.gz XZLSHLOOUHLBCY-UHFFFAOYSA-N 1 2 418.478 3.870 40 0 HHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502043 560873815 /nfs/dbraw/zinc/87/38/15/560873815.db2.gz QXLJMIWCZRGXKU-SMTRIPRVSA-N 1 2 420.509 3.547 40 0 HHABLO C[C@]12CC[C@H]3c4ccc(OC(=O)CC[NH+]5CCOCC5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000020111449 560880610 /nfs/dbraw/zinc/88/06/10/560880610.db2.gz PAEWODTUFUTSCJ-UEOMBKFZSA-N 1 2 411.542 3.740 40 0 HHABLO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671871 568493700 /nfs/dbraw/zinc/49/37/00/568493700.db2.gz RTYRDWIESKGPGY-JOCHJYFZSA-N 1 2 408.525 3.574 40 0 HHABLO COc1ccccc1N1CC[NH+]([C@H](CC(C)C)c2nnnn2Cc2ccccc2)CC1 ZINC000057670702 568494830 /nfs/dbraw/zinc/49/48/30/568494830.db2.gz CJEIIQJUHPIWLY-JOCHJYFZSA-N 1 2 420.561 3.639 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)CC2)c1 ZINC000057670825 568494905 /nfs/dbraw/zinc/49/49/05/568494905.db2.gz XMFUYQJNGRWHLE-HSZRJFAPSA-N 1 2 422.552 3.997 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1 ZINC000057670646 568494912 /nfs/dbraw/zinc/49/49/12/568494912.db2.gz FDTFSROZSMGVLE-HSZRJFAPSA-N 1 2 404.562 3.858 40 0 HHABLO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCCCC1 ZINC000225659369 568660926 /nfs/dbraw/zinc/66/09/26/568660926.db2.gz OKWBFNMUJLKSNO-UHFFFAOYSA-N 1 2 404.551 3.856 40 0 HHABLO CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(C[NH+]5CCOCC5)c4)OCC[C@@]31C2 ZINC000257216251 568780786 /nfs/dbraw/zinc/78/07/86/568780786.db2.gz CTRZLANDNFQGAF-COWNTTACSA-N 1 2 412.574 3.537 40 0 HHABLO C[N@H+](CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1)Cc1cccnc1 ZINC000257223257 568782908 /nfs/dbraw/zinc/78/29/08/568782908.db2.gz DWOSAKLIHNVCMJ-JOCHJYFZSA-N 1 2 404.514 3.846 40 0 HHABLO C[N@@H+](CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1)Cc1cccnc1 ZINC000257223257 568782910 /nfs/dbraw/zinc/78/29/10/568782910.db2.gz DWOSAKLIHNVCMJ-JOCHJYFZSA-N 1 2 404.514 3.846 40 0 HHABLO Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)nc(C)[nH+]1 ZINC000257242108 568788034 /nfs/dbraw/zinc/78/80/34/568788034.db2.gz IBDPZPXAOMHYFS-HXUWFJFHSA-N 1 2 413.909 3.669 40 0 HHABLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@H](c4cccc(Nc5cnccn5)n4)C3)ccc2O1 ZINC000257251323 568790715 /nfs/dbraw/zinc/79/07/15/568790715.db2.gz JQHGUEUANHMCJN-NRFANRHFSA-N 1 2 417.513 3.902 40 0 HHABLO CC1(C)Cc2cc(C[N@H+]3CCO[C@H](c4cccc(Nc5cnccn5)n4)C3)ccc2O1 ZINC000257251323 568790716 /nfs/dbraw/zinc/79/07/16/568790716.db2.gz JQHGUEUANHMCJN-NRFANRHFSA-N 1 2 417.513 3.902 40 0 HHABLO Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cc1 ZINC000257265834 568794409 /nfs/dbraw/zinc/79/44/09/568794409.db2.gz MAOINRZSELPYFL-RUZDIDTESA-N 1 2 421.541 3.802 40 0 HHABLO Cc1ccc(OCC[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cc1 ZINC000257265834 568794411 /nfs/dbraw/zinc/79/44/11/568794411.db2.gz MAOINRZSELPYFL-RUZDIDTESA-N 1 2 421.541 3.802 40 0 HHABLO COc1cccc2cc(C[N@@H+]3CCO[C@@H](c4ccc(Nc5ncccn5)cn4)C3)oc21 ZINC000257285792 568800232 /nfs/dbraw/zinc/80/02/32/568800232.db2.gz PIXFIXFNJCMOEW-OAQYLSRUSA-N 1 2 417.469 3.944 40 0 HHABLO COc1cccc2cc(C[N@H+]3CCO[C@@H](c4ccc(Nc5ncccn5)cn4)C3)oc21 ZINC000257285792 568800235 /nfs/dbraw/zinc/80/02/35/568800235.db2.gz PIXFIXFNJCMOEW-OAQYLSRUSA-N 1 2 417.469 3.944 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1cccnc1 ZINC000257323781 568811366 /nfs/dbraw/zinc/81/13/66/568811366.db2.gz WLUXLUCRWPWLMG-FQEVSTJZSA-N 1 2 422.504 3.638 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1cccnc1 ZINC000257323781 568811368 /nfs/dbraw/zinc/81/13/68/568811368.db2.gz WLUXLUCRWPWLMG-FQEVSTJZSA-N 1 2 422.504 3.638 40 0 HHABLO Cc1oc2c(c1C(=O)N1CC[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C1)CCCC2 ZINC000257324689 568811757 /nfs/dbraw/zinc/81/17/57/568811757.db2.gz WPSGBKFAQDQKNM-INIZCTEOSA-N 1 2 403.486 3.531 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cc(Nc3nncs3)cc(C)n2)C1 ZINC000257334953 568814529 /nfs/dbraw/zinc/81/45/29/568814529.db2.gz YHZNRCWXOYIGDG-HXUWFJFHSA-N 1 2 411.531 3.876 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cc(Nc3nncs3)cc(C)n2)C1 ZINC000257334953 568814532 /nfs/dbraw/zinc/81/45/32/568814532.db2.gz YHZNRCWXOYIGDG-HXUWFJFHSA-N 1 2 411.531 3.876 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cccc(OC)c1 ZINC000261364136 568819542 /nfs/dbraw/zinc/81/95/42/568819542.db2.gz JMCXUPOFZKDDJE-OAQYLSRUSA-O 1 2 423.518 3.561 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306123102 568886430 /nfs/dbraw/zinc/88/64/30/568886430.db2.gz AEINZCSFIVJCHE-PKOBYXMFSA-N 1 2 400.500 3.705 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306123102 568886431 /nfs/dbraw/zinc/88/64/31/568886431.db2.gz AEINZCSFIVJCHE-PKOBYXMFSA-N 1 2 400.500 3.705 40 0 HHABLO Cc1cccc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccsc5)ccc34)C2)n1 ZINC000306124456 568887490 /nfs/dbraw/zinc/88/74/90/568887490.db2.gz BQDHADZYYMNKIQ-NRFANRHFSA-N 1 2 404.543 3.650 40 0 HHABLO Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5ccsc5)ccc34)C2)n1 ZINC000306124456 568887491 /nfs/dbraw/zinc/88/74/91/568887491.db2.gz BQDHADZYYMNKIQ-NRFANRHFSA-N 1 2 404.543 3.650 40 0 HHABLO O=C(NCc1ccccc1)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306128035 568890707 /nfs/dbraw/zinc/89/07/07/568890707.db2.gz GOIYOYFFRDDYGK-QFIPXVFZSA-N 1 2 411.509 3.996 40 0 HHABLO O=C(NCc1ccccc1)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306128035 568890709 /nfs/dbraw/zinc/89/07/09/568890709.db2.gz GOIYOYFFRDDYGK-QFIPXVFZSA-N 1 2 411.509 3.996 40 0 HHABLO O=C(NCCCn1cc[nH+]c1)c1nc(-c2ccn(C3CCCC3)c2)n2ccccc12 ZINC000306131405 568893536 /nfs/dbraw/zinc/89/35/36/568893536.db2.gz KDQXSLVIVXDZPN-UHFFFAOYSA-N 1 2 402.502 3.935 40 0 HHABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1cccnc1)CC21CCN(c2ncccn2)CC1 ZINC000306131739 568894032 /nfs/dbraw/zinc/89/40/32/568894032.db2.gz KOMBBXRWRXGHJD-UHFFFAOYSA-N 1 2 417.561 3.511 40 0 HHABLO Cc1nc(Cn2cc[nH+]c2[C@H]2CN(C(=O)C3CCOCC3)Cc3ccccc32)cs1 ZINC000306142505 568904043 /nfs/dbraw/zinc/90/40/43/568904043.db2.gz XBBQAKNVQXFSEJ-NRFANRHFSA-N 1 2 422.554 3.597 40 0 HHABLO CC(C)Nc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328959339 568969792 /nfs/dbraw/zinc/96/97/92/568969792.db2.gz ATHOMTISORLIPK-UHFFFAOYSA-N 1 2 417.435 3.756 40 0 HHABLO CNc1nc(NCc2ccccc2OC)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329054642 568974659 /nfs/dbraw/zinc/97/46/59/568974659.db2.gz VKDDJZKVXULGIU-UHFFFAOYSA-N 1 2 404.392 3.548 40 0 HHABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cc1C(F)(F)F ZINC000329064701 568975322 /nfs/dbraw/zinc/97/53/22/568975322.db2.gz XMETWAOJUFFJBB-ZDUSSCGKSA-N 1 2 418.419 3.551 40 0 HHABLO c1ccc(-c2nc3nc(-c4ccccc4)nc(NCC[NH+]4CCOCC4)c3o2)cc1 ZINC000027985947 568987357 /nfs/dbraw/zinc/98/73/57/568987357.db2.gz UICMBZSUTWYNNR-UHFFFAOYSA-N 1 2 401.470 3.696 40 0 HHABLO COc1cccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000008433920 569341035 /nfs/dbraw/zinc/34/10/35/569341035.db2.gz GTIWYOXUCJGANJ-UHFFFAOYSA-N 1 2 418.493 3.879 40 0 HHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccc(OC)c1 ZINC000261362492 569413370 /nfs/dbraw/zinc/41/33/70/569413370.db2.gz DKMLXJAIRGEQFG-OAQYLSRUSA-O 1 2 423.518 3.561 40 0 HHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccn1C ZINC000261365293 569413731 /nfs/dbraw/zinc/41/37/31/569413731.db2.gz REGSFAUVZCKGJC-NRFANRHFSA-O 1 2 424.550 3.671 40 0 HHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329044240 571306009 /nfs/dbraw/zinc/30/60/09/571306009.db2.gz SVMGPOWZXKVNBU-MRXNPFEDSA-N 1 2 409.303 4.428 40 0 HHABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674658 291260219 /nfs/dbraw/zinc/26/02/19/291260219.db2.gz SKXZVCSLYSTVGR-AEFFLSMTSA-N 1 2 419.403 3.867 40 0 biogenic,in-vitro HHABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674658 291260222 /nfs/dbraw/zinc/26/02/22/291260222.db2.gz SKXZVCSLYSTVGR-AEFFLSMTSA-N 1 2 419.403 3.867 40 0 biogenic,in-vitro HHABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccc(F)cc3)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508614 527314434 /nfs/dbraw/zinc/31/44/34/527314434.db2.gz HITUVVWVFBIPET-ROUUACIJSA-N 1 2 424.950 3.750 40 0 HHABLO O=S1(=O)C[C@H]2[NH+]=C(SCc3ccccc3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508679 527315871 /nfs/dbraw/zinc/31/58/71/527315871.db2.gz GVEKCMFINGTPQD-QZTJIDSGSA-N 1 2 406.960 3.611 40 0 HHABLO Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)n1 ZINC000019767063 558279039 /nfs/dbraw/zinc/27/90/39/558279039.db2.gz TTXSREVDOSVBRO-HXUWFJFHSA-N 1 2 414.937 3.638 40 0 HHABLO Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000019767063 558279041 /nfs/dbraw/zinc/27/90/41/558279041.db2.gz TTXSREVDOSVBRO-HXUWFJFHSA-N 1 2 414.937 3.638 40 0 HHABLO c1ccc2c(c1)nc1n2[C@@H](c2cccnc2)NC2=[NH+]CN(CCC3=CCCCC3)CN12 ZINC000020638666 558396887 /nfs/dbraw/zinc/39/68/87/558396887.db2.gz YAHWWVWHILILQF-QFIPXVFZSA-N 1 2 413.529 3.865 40 0 HHABLO O=C(COc1ccc(Cl)cc1Br)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022535046 558497853 /nfs/dbraw/zinc/49/78/53/558497853.db2.gz XEEHWEIHLBCLOQ-UHFFFAOYSA-N 1 2 420.694 3.983 40 0 HHABLO Cc1ccc([C@@H]([NH2+]Cc2c(C)nc(N3CCCCC3)[nH]c2=O)c2cccnc2)cc1 ZINC000019136771 558846393 /nfs/dbraw/zinc/84/63/93/558846393.db2.gz BVWMMUMHKLKCMQ-JOCHJYFZSA-N 1 2 403.530 3.651 40 0 HHABLO Cn1ccc(C(=O)N2CCC[C@H](c3[nH+]c(Nc4ccccc4)n4ccsc34)C2)n1 ZINC000019290915 558863466 /nfs/dbraw/zinc/86/34/66/558863466.db2.gz GRVICDDKZQDJEW-HNNXBMFYSA-N 1 2 406.515 3.893 40 0 HHABLO CC(C)c1ccc([C@H]([C@H](C(=O)c2ccccc2)N2CCOCC2)[NH+]2CCOCC2)cc1 ZINC000019366181 558877106 /nfs/dbraw/zinc/87/71/06/558877106.db2.gz QPEVDJKHPSJWEK-JWQCQUIFSA-N 1 2 422.569 3.767 40 0 HHABLO O=C([C@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000019369464 558877883 /nfs/dbraw/zinc/87/78/83/558877883.db2.gz ZXLJAQLFVHEZLL-BJKOFHAPSA-N 1 2 410.533 3.865 40 0 HHABLO CCCC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057670679 558889740 /nfs/dbraw/zinc/88/97/40/558889740.db2.gz NSZINMAWMVCHKJ-QFIPXVFZSA-N 1 2 420.561 3.784 40 0 HHABLO CCc1[nH+]c2cc(NC(=O)COc3ccccc3-c3nc(C)no3)ccc2n1CC ZINC000019523211 558904410 /nfs/dbraw/zinc/90/44/10/558904410.db2.gz SYBKGYXSNZYALL-UHFFFAOYSA-N 1 2 405.458 3.995 40 0 HHABLO Cc1nc([C@H](Cc2ccsc2)NC(=O)C[N@@H+](C)Cc2cccnc2)sc1C ZINC000019559773 558920906 /nfs/dbraw/zinc/92/09/06/558920906.db2.gz BSAGLBWFUMUIPE-SFHVURJKSA-N 1 2 400.573 3.748 40 0 HHABLO Cc1nc([C@H](Cc2ccsc2)NC(=O)C[N@H+](C)Cc2cccnc2)sc1C ZINC000019559773 558920907 /nfs/dbraw/zinc/92/09/07/558920907.db2.gz BSAGLBWFUMUIPE-SFHVURJKSA-N 1 2 400.573 3.748 40 0 HHABLO Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)c2)n1 ZINC000019574513 558932054 /nfs/dbraw/zinc/93/20/54/558932054.db2.gz FWLLDOBBFYCFKQ-QFIPXVFZSA-N 1 2 417.488 3.940 40 0 HHABLO COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000019581514 558937217 /nfs/dbraw/zinc/93/72/17/558937217.db2.gz SOYWDOWPVDQDAR-YADHBBJMSA-N 1 2 424.932 3.849 40 0 HHABLO O[C@@H](c1nccs1)c1cccc(F)c1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000072340544 558939136 /nfs/dbraw/zinc/93/91/36/558939136.db2.gz FGXAIWCLYBAGIT-HXUWFJFHSA-N 1 2 401.482 3.825 40 0 HHABLO COCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000019593712 558944885 /nfs/dbraw/zinc/94/48/85/558944885.db2.gz AJKPSUPWUIJUSM-NRFANRHFSA-N 1 2 406.486 3.607 40 0 HHABLO COCCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000019593712 558944887 /nfs/dbraw/zinc/94/48/87/558944887.db2.gz AJKPSUPWUIJUSM-NRFANRHFSA-N 1 2 406.486 3.607 40 0 HHABLO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccn3)C2)n1 ZINC000072349551 558946348 /nfs/dbraw/zinc/94/63/48/558946348.db2.gz HENJFLGPZHLFHA-HXUWFJFHSA-N 1 2 416.525 3.894 40 0 HHABLO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccn3)C2)n1 ZINC000072349551 558946350 /nfs/dbraw/zinc/94/63/50/558946350.db2.gz HENJFLGPZHLFHA-HXUWFJFHSA-N 1 2 416.525 3.894 40 0 HHABLO Cc1cc2c(cc1C[N@@H+]1CCc3onc(Nc4ccc(F)cc4)c3C1)n(C)c(=O)n2C ZINC000072352757 558949384 /nfs/dbraw/zinc/94/93/84/558949384.db2.gz SWBARSUIRWJZOT-UHFFFAOYSA-N 1 2 421.476 3.614 40 0 HHABLO Cc1cc2c(cc1C[N@H+]1CCc3onc(Nc4ccc(F)cc4)c3C1)n(C)c(=O)n2C ZINC000072352757 558949386 /nfs/dbraw/zinc/94/93/86/558949386.db2.gz SWBARSUIRWJZOT-UHFFFAOYSA-N 1 2 421.476 3.614 40 0 HHABLO Cc1nonc1NC(=O)C[N@@H+]1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072353919 558951062 /nfs/dbraw/zinc/95/10/62/558951062.db2.gz HFAPGTAMECASNX-NRFANRHFSA-N 1 2 419.529 3.799 40 0 HHABLO Cc1nonc1NC(=O)C[N@H+]1CCC[C@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072353919 558951063 /nfs/dbraw/zinc/95/10/63/558951063.db2.gz HFAPGTAMECASNX-NRFANRHFSA-N 1 2 419.529 3.799 40 0 HHABLO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2)n1 ZINC000019666446 558956195 /nfs/dbraw/zinc/95/61/95/558956195.db2.gz YTLJWOFDOVFQPT-UHFFFAOYSA-N 1 2 401.923 3.839 40 0 HHABLO Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2)n1 ZINC000019666446 558956198 /nfs/dbraw/zinc/95/61/98/558956198.db2.gz YTLJWOFDOVFQPT-UHFFFAOYSA-N 1 2 401.923 3.839 40 0 HHABLO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072375965 558965010 /nfs/dbraw/zinc/96/50/10/558965010.db2.gz MSJREZATNLTQLP-MRXNPFEDSA-N 1 2 408.531 3.803 40 0 HHABLO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072375965 558965011 /nfs/dbraw/zinc/96/50/11/558965011.db2.gz MSJREZATNLTQLP-MRXNPFEDSA-N 1 2 408.531 3.803 40 0 HHABLO COc1ccc(CC(=O)N2CCC[C@H]2c2cncc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378379 558967591 /nfs/dbraw/zinc/96/75/91/558967591.db2.gz YCIRFBMUEHZKFS-FQEVSTJZSA-N 1 2 405.502 3.701 40 0 HHABLO COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1nc(C)c3c(n1)N(C)CCC3)OCCO2 ZINC000019706094 558968729 /nfs/dbraw/zinc/96/87/29/558968729.db2.gz AQVXDGNZVKDFTQ-LJQANCHMSA-N 1 2 424.545 3.674 40 0 HHABLO COc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1nc(C)c3c(n1)N(C)CCC3)OCCO2 ZINC000019706094 558968731 /nfs/dbraw/zinc/96/87/31/558968731.db2.gz AQVXDGNZVKDFTQ-LJQANCHMSA-N 1 2 424.545 3.674 40 0 HHABLO Cc1nc2c(c(Nc3ccccn3)n1)CC[N@@H+](CC(=O)N(C(C)C)C1CCCCC1)C2 ZINC000072380785 558968919 /nfs/dbraw/zinc/96/89/19/558968919.db2.gz PVWZSAGQKOTMKI-UHFFFAOYSA-N 1 2 422.577 3.851 40 0 HHABLO Cc1nc2c(c(Nc3ccccn3)n1)CC[N@H+](CC(=O)N(C(C)C)C1CCCCC1)C2 ZINC000072380785 558968922 /nfs/dbraw/zinc/96/89/22/558968922.db2.gz PVWZSAGQKOTMKI-UHFFFAOYSA-N 1 2 422.577 3.851 40 0 HHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccccc3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106865 559029199 /nfs/dbraw/zinc/02/91/99/559029199.db2.gz KGRHTXKICLFCQR-PXDATVDWSA-N 1 2 420.557 3.722 40 0 HHABLO O=C(c1ccc2ncccc2c1)N1CCC[C@@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096075750 559094584 /nfs/dbraw/zinc/09/45/84/559094584.db2.gz WIGGPWLHYQELEY-HOYKHHGWSA-N 1 2 402.498 3.753 40 0 HHABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000096244848 559105018 /nfs/dbraw/zinc/10/50/18/559105018.db2.gz JWHKJKBPIQVHSC-VWNXMTODSA-N 1 2 404.535 3.859 40 0 HHABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000096244848 559105020 /nfs/dbraw/zinc/10/50/20/559105020.db2.gz JWHKJKBPIQVHSC-VWNXMTODSA-N 1 2 404.535 3.859 40 0 HHABLO O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[C@H](c2ncncc2-c2ccccn2)CC1 ZINC000100769212 559140068 /nfs/dbraw/zinc/14/00/68/559140068.db2.gz AVELYPIAKQBVGY-KDURUIRLSA-N 1 2 404.518 3.606 40 0 HHABLO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514288811 560033998 /nfs/dbraw/zinc/03/39/98/560033998.db2.gz BWDLEIMFDGZHJD-JAXLGGSGSA-N 1 2 417.575 3.726 40 0 biogenic,in-vitro HHABLO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514288811 560033999 /nfs/dbraw/zinc/03/39/99/560033999.db2.gz BWDLEIMFDGZHJD-JAXLGGSGSA-N 1 2 417.575 3.726 40 0 biogenic,in-vitro HHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000891745 560543044 /nfs/dbraw/zinc/54/30/44/560543044.db2.gz HAOPYVNPQYYHOT-NRFANRHFSA-N 1 2 406.534 3.904 40 0 HHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000000889220 560542257 /nfs/dbraw/zinc/54/22/57/560542257.db2.gz YVVIEIJUWGNPIF-YCRPNKLZSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000000889220 560542259 /nfs/dbraw/zinc/54/22/59/560542259.db2.gz YVVIEIJUWGNPIF-YCRPNKLZSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1cccc2cc(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c12 ZINC000000926301 560556822 /nfs/dbraw/zinc/55/68/22/560556822.db2.gz JBWMBBBJTHVVAU-UHFFFAOYSA-N 1 2 406.534 3.883 40 0 HHABLO Cc1cccc2cc(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c12 ZINC000000926301 560556823 /nfs/dbraw/zinc/55/68/23/560556823.db2.gz JBWMBBBJTHVVAU-UHFFFAOYSA-N 1 2 406.534 3.883 40 0 HHABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)cc1C ZINC000095346196 560557860 /nfs/dbraw/zinc/55/78/60/560557860.db2.gz PNWRSFZTCKAQCO-BURNTYAHSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)cc1C ZINC000095346196 560557863 /nfs/dbraw/zinc/55/78/63/560557863.db2.gz PNWRSFZTCKAQCO-BURNTYAHSA-N 1 2 422.912 3.792 40 0 HHABLO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(Cl)cc1 ZINC000004966703 560621662 /nfs/dbraw/zinc/62/16/62/560621662.db2.gz BAUWEVZQWTUJCT-UHFFFAOYSA-N 1 2 414.889 3.645 40 0 HHABLO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1O ZINC000409235647 560701152 /nfs/dbraw/zinc/70/11/52/560701152.db2.gz CRNOVXKITBUZNM-UHFFFAOYSA-N 1 2 421.360 3.657 40 0 HHABLO CCn1c2ccc(OC)cc2cc(CNc2ccc([NH+]3CCC(O)CC3)cc2)c1=O ZINC000013483271 560811576 /nfs/dbraw/zinc/81/15/76/560811576.db2.gz INRQWPLRNQISDO-UHFFFAOYSA-N 1 2 407.514 3.603 40 0 HHABLO CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216389476 568464884 /nfs/dbraw/zinc/46/48/84/568464884.db2.gz NQTTVXIZYQHDTL-LJQANCHMSA-N 1 2 416.905 3.571 40 0 HHABLO CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670413 568494520 /nfs/dbraw/zinc/49/45/20/568494520.db2.gz LDBGXYYYHGCKLH-UNMCSNQZSA-N 1 2 412.582 3.522 40 0 HHABLO COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223019533 568534491 /nfs/dbraw/zinc/53/44/91/568534491.db2.gz VLVCXPIZGWNEAR-FCHUYYIVSA-N 1 2 421.570 3.557 40 0 HHABLO Cc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2Cc2ccccc2)cc1 ZINC000026098901 568538891 /nfs/dbraw/zinc/53/88/91/568538891.db2.gz NFIGKDUBHXKRLX-UHFFFAOYSA-N 1 2 424.570 3.638 40 0 HHABLO COC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc2c1CC[N@H+](C)C2 ZINC000224990240 568607697 /nfs/dbraw/zinc/60/76/97/568607697.db2.gz DKZZVMGKVRJZFY-UHFFFAOYSA-N 1 2 422.934 3.972 40 0 HHABLO COC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc2c1CC[N@@H+](C)C2 ZINC000224990240 568607699 /nfs/dbraw/zinc/60/76/99/568607699.db2.gz DKZZVMGKVRJZFY-UHFFFAOYSA-N 1 2 422.934 3.972 40 0 HHABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc(Br)cc1 ZINC000225777704 568673816 /nfs/dbraw/zinc/67/38/16/568673816.db2.gz HAFVAULSNYQMDK-UHFFFAOYSA-N 1 2 420.376 3.768 40 0 HHABLO Cc1cccc(Nc2ccc([C@@H]3CN(CC(=O)Nc4ccc(F)cc4)CCO3)nc2)[nH+]1 ZINC000257231746 568785273 /nfs/dbraw/zinc/78/52/73/568785273.db2.gz GIAKVIVUYXZFFI-NRFANRHFSA-N 1 2 421.476 3.680 40 0 HHABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257272531 568796406 /nfs/dbraw/zinc/79/64/06/568796406.db2.gz NCTCDSKDWBFKQQ-KRWDZBQOSA-N 1 2 417.575 3.589 40 0 HHABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257272531 568796407 /nfs/dbraw/zinc/79/64/07/568796407.db2.gz NCTCDSKDWBFKQQ-KRWDZBQOSA-N 1 2 417.575 3.589 40 0 HHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)c(C)n1 ZINC000257274464 568797047 /nfs/dbraw/zinc/79/70/47/568797047.db2.gz NLDSLMHYUQCAMF-LJQANCHMSA-N 1 2 412.563 3.997 40 0 HHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)c(C)n1 ZINC000257274464 568797048 /nfs/dbraw/zinc/79/70/48/568797048.db2.gz NLDSLMHYUQCAMF-LJQANCHMSA-N 1 2 412.563 3.997 40 0 HHABLO CCn1cc(CN2CCO[C@@H](c3cc(Nc4cccc(C)[nH+]4)cc(C)n3)C2)c(C)n1 ZINC000257294207 568802747 /nfs/dbraw/zinc/80/27/47/568802747.db2.gz QTAXXGGVNVVTDL-JOCHJYFZSA-N 1 2 406.534 3.935 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1cccnc1 ZINC000257323782 568811331 /nfs/dbraw/zinc/81/13/31/568811331.db2.gz WLUXLUCRWPWLMG-HXUWFJFHSA-N 1 2 422.504 3.638 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1)Cc1cccnc1 ZINC000257323782 568811333 /nfs/dbraw/zinc/81/13/33/568811333.db2.gz WLUXLUCRWPWLMG-HXUWFJFHSA-N 1 2 422.504 3.638 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1cccnc1 ZINC000257328621 568812672 /nfs/dbraw/zinc/81/26/72/568812672.db2.gz XGLLBRKFURCMGH-OAQYLSRUSA-N 1 2 408.477 3.595 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1cccnc1 ZINC000257328621 568812675 /nfs/dbraw/zinc/81/26/75/568812675.db2.gz XGLLBRKFURCMGH-OAQYLSRUSA-N 1 2 408.477 3.595 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000257340617 568816243 /nfs/dbraw/zinc/81/62/43/568816243.db2.gz ZGWYHBMBKUXEFC-FPOVZHCZSA-N 1 2 406.885 3.630 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000257340617 568816244 /nfs/dbraw/zinc/81/62/44/568816244.db2.gz ZGWYHBMBKUXEFC-FPOVZHCZSA-N 1 2 406.885 3.630 40 0 HHABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Cl)c1O ZINC000261363873 568819582 /nfs/dbraw/zinc/81/95/82/568819582.db2.gz YBBSRGMQLMTAHZ-KRWDZBQOSA-O 1 2 417.898 3.589 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C)s1 ZINC000261365244 568819819 /nfs/dbraw/zinc/81/98/19/568819819.db2.gz QXCQELWWHBUNQS-IBGZPJMESA-O 1 2 413.548 3.922 40 0 HHABLO Clc1ccc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cc1 ZINC000306125890 568888644 /nfs/dbraw/zinc/88/86/44/568888644.db2.gz DETWYMOGWVTEEC-UHFFFAOYSA-N 1 2 404.905 3.767 40 0 HHABLO c1c([C@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306128924 568891624 /nfs/dbraw/zinc/89/16/24/568891624.db2.gz HOLBKDAUEKJCAG-HSZRJFAPSA-N 1 2 414.465 3.699 40 0 HHABLO c1c([C@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306128924 568891626 /nfs/dbraw/zinc/89/16/26/568891626.db2.gz HOLBKDAUEKJCAG-HSZRJFAPSA-N 1 2 414.465 3.699 40 0 HHABLO COc1ccc(-c2cccc3nc([C@H]4C[N@H+](Cc5nccs5)CCN4C)cn32)cc1 ZINC000306139856 568901514 /nfs/dbraw/zinc/90/15/14/568901514.db2.gz UCOHJLOIHYJSSJ-OAQYLSRUSA-N 1 2 419.554 3.955 40 0 HHABLO COc1ccc(-c2cccc3nc([C@H]4C[N@@H+](Cc5nccs5)CCN4C)cn32)cc1 ZINC000306139856 568901515 /nfs/dbraw/zinc/90/15/15/568901515.db2.gz UCOHJLOIHYJSSJ-OAQYLSRUSA-N 1 2 419.554 3.955 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306140261 568902087 /nfs/dbraw/zinc/90/20/87/568902087.db2.gz UOFOFPGTCDMVPU-RXVVDRJESA-N 1 2 412.461 3.782 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306140261 568902090 /nfs/dbraw/zinc/90/20/90/568902090.db2.gz UOFOFPGTCDMVPU-RXVVDRJESA-N 1 2 412.461 3.782 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306140852 568902474 /nfs/dbraw/zinc/90/24/74/568902474.db2.gz VFJKGQHOKUNLGU-GMAHTHKFSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306140852 568902476 /nfs/dbraw/zinc/90/24/76/568902476.db2.gz VFJKGQHOKUNLGU-GMAHTHKFSA-N 1 2 406.507 3.513 40 0 HHABLO Cc1ccc(C(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306141931 568903425 /nfs/dbraw/zinc/90/34/25/568903425.db2.gz WKQPEWNCMNYIQN-OFVILXPXSA-N 1 2 420.557 3.641 40 0 HHABLO Ic1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329013129 568972587 /nfs/dbraw/zinc/97/25/87/568972587.db2.gz MPDLDNCDGAJSGJ-UHFFFAOYSA-N 1 2 420.298 3.901 40 0 HHABLO O=C(C1CCCCC1)N(CC[NH+]1CCN(c2ccccc2O)CC1)c1ccccn1 ZINC000013804934 569257796 /nfs/dbraw/zinc/25/77/96/569257796.db2.gz GSYXUBWRYIWXJK-UHFFFAOYSA-N 1 2 408.546 3.523 40 0 HHABLO CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000008021857 569338861 /nfs/dbraw/zinc/33/88/61/569338861.db2.gz YJBUZHUXPKQZMZ-UHFFFAOYSA-N 1 2 416.481 3.591 40 0 HHABLO COc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)c1OC1CCCC1 ZINC000019764668 569348943 /nfs/dbraw/zinc/34/89/43/569348943.db2.gz CBKVIZZOGBOPSJ-FQEVSTJZSA-N 1 2 424.545 3.941 40 0 HHABLO COc1cccc(C[N@H+]2CCCC[C@H]2c2ncc(C(N)=O)c(C)n2)c1OC1CCCC1 ZINC000019764668 569348944 /nfs/dbraw/zinc/34/89/44/569348944.db2.gz CBKVIZZOGBOPSJ-FQEVSTJZSA-N 1 2 424.545 3.941 40 0 HHABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Cl)c1O ZINC000261363874 569413565 /nfs/dbraw/zinc/41/35/65/569413565.db2.gz YBBSRGMQLMTAHZ-QGZVFWFLSA-O 1 2 417.898 3.589 40 0 HHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccc(Cl)c1 ZINC000261363229 569413570 /nfs/dbraw/zinc/41/35/70/569413570.db2.gz GNSFOFADGJVMQP-LJQANCHMSA-O 1 2 413.910 3.816 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(C)[nH]c2ccccc21 ZINC000261365370 569413678 /nfs/dbraw/zinc/41/36/78/569413678.db2.gz RQSVPBOFBTVFHY-NRFANRHFSA-O 1 2 418.502 3.562 40 0 HHABLO Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000328962925 571307783 /nfs/dbraw/zinc/30/77/83/571307783.db2.gz BKSOXTAHBVSWKL-UHFFFAOYSA-N 1 2 404.392 4.498 40 0 HHABLO COc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020464485 575366968 /nfs/dbraw/zinc/36/69/68/575366968.db2.gz WWGSYTVRTYHQOD-FQEVSTJZSA-N 1 2 415.453 3.717 40 0 biogenic,in-vitro HHABLO COc1ccc(C(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020464485 575366971 /nfs/dbraw/zinc/36/69/71/575366971.db2.gz WWGSYTVRTYHQOD-FQEVSTJZSA-N 1 2 415.453 3.717 40 0 biogenic,in-vitro HHABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)NC3CCCCC3)n2)c1 ZINC000015675884 291257392 /nfs/dbraw/zinc/25/73/92/291257392.db2.gz OKJBASGLCXJAGA-IBGZPJMESA-N 1 2 406.490 3.910 40 0 biogenic,in-vitro HHABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)NC3CCCCC3)n2)c1 ZINC000015675884 291257393 /nfs/dbraw/zinc/25/73/93/291257393.db2.gz OKJBASGLCXJAGA-IBGZPJMESA-N 1 2 406.490 3.910 40 0 biogenic,in-vitro HHABLO O=S1(=O)C[C@H]2[NH+]=C(SCc3cccc(F)c3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508607 527315822 /nfs/dbraw/zinc/31/58/22/527315822.db2.gz BYIDXOSCICTHRH-QZTJIDSGSA-N 1 2 424.950 3.750 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C(C)(C)C)c3ccccc3)CC2)c1 ZINC000035290562 557675785 /nfs/dbraw/zinc/67/57/85/557675785.db2.gz AWOXFSIUXJDOAZ-QFIPXVFZSA-N 1 2 404.562 3.957 40 0 HHABLO O=C1C=C(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C(=O)N1c1ccccc1Cl ZINC000006414342 557701834 /nfs/dbraw/zinc/70/18/34/557701834.db2.gz VMJHKOVFTNZDEJ-UHFFFAOYSA-N 1 2 406.873 3.853 40 0 HHABLO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC000408713219 557744499 /nfs/dbraw/zinc/74/44/99/557744499.db2.gz OMWPEXYLHRLJPB-UHFFFAOYSA-N 1 2 409.917 3.633 40 0 HHABLO COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)c1 ZINC000012116461 558328550 /nfs/dbraw/zinc/32/85/50/558328550.db2.gz RMLUZGROFPWSFN-IRXDYDNUSA-N 1 2 422.529 3.684 40 0 HHABLO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cc3c(cc2Cl)OCO3)n1 ZINC000012185941 558345272 /nfs/dbraw/zinc/34/52/72/558345272.db2.gz PKOMIWLJJRCXCW-QGZVFWFLSA-N 1 2 417.893 3.538 40 0 HHABLO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cc3c(cc2Cl)OCO3)n1 ZINC000012185941 558345274 /nfs/dbraw/zinc/34/52/74/558345274.db2.gz PKOMIWLJJRCXCW-QGZVFWFLSA-N 1 2 417.893 3.538 40 0 HHABLO Cc1cc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1Br ZINC000020459586 558371989 /nfs/dbraw/zinc/37/19/89/558371989.db2.gz LBDVKXVMDKMRKW-UHFFFAOYSA-N 1 2 400.276 3.638 40 0 HHABLO O=C(COc1ccc(Br)cc1Cl)NCc1ccccc1-n1cc[nH+]c1 ZINC000038756995 558814971 /nfs/dbraw/zinc/81/49/71/558814971.db2.gz BCUZGSYXCXSNQV-UHFFFAOYSA-N 1 2 420.694 3.983 40 0 HHABLO COc1ccc([C@H]2[NH2+][C@@H](c3ccc(C)cn3)Cc3cc(OC)c(OC)cc32)cc1CO ZINC000019216068 558850069 /nfs/dbraw/zinc/85/00/69/558850069.db2.gz PYGLSVHMDCXIRX-PXDATVDWSA-N 1 2 420.509 3.885 40 0 HHABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)cc1 ZINC000019240480 558859098 /nfs/dbraw/zinc/85/90/98/558859098.db2.gz GSLRUZYOBWTGDE-OAHLLOKOSA-N 1 2 405.545 3.590 40 0 HHABLO FC(F)(F)c1ccccc1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCOCC3)ncc12 ZINC000019348750 558874630 /nfs/dbraw/zinc/87/46/30/558874630.db2.gz ORNHMSMCGAZQQS-HNAYVOBHSA-N 1 2 404.436 3.594 40 0 HHABLO FC(F)(F)c1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCOCC3)ncc12 ZINC000019348750 558874632 /nfs/dbraw/zinc/87/46/32/558874632.db2.gz ORNHMSMCGAZQQS-HNAYVOBHSA-N 1 2 404.436 3.594 40 0 HHABLO CC(C)c1[nH+]c2cc(NC(=O)c3ccc(OCCN4CCCC4=O)cc3)ccc2n1C ZINC000019453813 558891001 /nfs/dbraw/zinc/89/10/01/558891001.db2.gz LQTOGFVZYNWYDD-UHFFFAOYSA-N 1 2 420.513 3.950 40 0 HHABLO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](Cc2nccn2CC)C1 ZINC000019529197 558911066 /nfs/dbraw/zinc/91/10/66/558911066.db2.gz VLRNFVRDVXKNBL-VWLOTQADSA-N 1 2 417.557 3.536 40 0 HHABLO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@@H+](Cc2nccn2CC)C1 ZINC000019529197 558911069 /nfs/dbraw/zinc/91/10/69/558911069.db2.gz VLRNFVRDVXKNBL-VWLOTQADSA-N 1 2 417.557 3.536 40 0 HHABLO CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CC[N@H+](Cc2cnn(C)c2)C1 ZINC000019529193 558911148 /nfs/dbraw/zinc/91/11/48/558911148.db2.gz AVBKSVLQMZCOKL-VWLOTQADSA-N 1 2 402.542 3.658 40 0 HHABLO CCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000019529193 558911149 /nfs/dbraw/zinc/91/11/49/558911149.db2.gz AVBKSVLQMZCOKL-VWLOTQADSA-N 1 2 402.542 3.658 40 0 HHABLO COc1cc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC ZINC000019549765 558914440 /nfs/dbraw/zinc/91/44/40/558914440.db2.gz KFPDCIDWLZDWDF-GOSISDBHSA-N 1 2 422.485 3.607 40 0 HHABLO COc1cc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC ZINC000019549765 558914441 /nfs/dbraw/zinc/91/44/41/558914441.db2.gz KFPDCIDWLZDWDF-GOSISDBHSA-N 1 2 422.485 3.607 40 0 HHABLO O[C@@H](c1nccs1)c1ccccc1N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000072340520 558939099 /nfs/dbraw/zinc/93/90/99/558939099.db2.gz QZQFTDQORQGQAK-HXUWFJFHSA-N 1 2 401.482 3.825 40 0 HHABLO Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](c4cc(-c5ccc(N)[nH+]c5)cc(C)n4)C3)c2c1 ZINC000072374730 558962707 /nfs/dbraw/zinc/96/27/07/558962707.db2.gz JLKVSSPYKUTKDB-QGZVFWFLSA-N 1 2 412.497 3.849 40 0 HHABLO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377022 558966266 /nfs/dbraw/zinc/96/62/66/558966266.db2.gz ASGREHVLVIYINH-SFHVURJKSA-N 1 2 422.920 3.940 40 0 HHABLO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377022 558966267 /nfs/dbraw/zinc/96/62/67/558966267.db2.gz ASGREHVLVIYINH-SFHVURJKSA-N 1 2 422.920 3.940 40 0 HHABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072378450 558967505 /nfs/dbraw/zinc/96/75/05/558967505.db2.gz DDQHEHUCOZSRDL-FQEVSTJZSA-N 1 2 400.486 3.612 40 0 HHABLO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(C)c3c(n2)N(C)CCC3)cc1CO ZINC000019706817 558969043 /nfs/dbraw/zinc/96/90/43/558969043.db2.gz PRNCBXKPAXTULA-NRFANRHFSA-N 1 2 410.562 3.786 40 0 HHABLO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc(C)c3c(n2)N(C)CCC3)cc1CO ZINC000019706817 558969044 /nfs/dbraw/zinc/96/90/44/558969044.db2.gz PRNCBXKPAXTULA-NRFANRHFSA-N 1 2 410.562 3.786 40 0 HHABLO O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(Cl)cc2)N1CC[NH+]1CCOCC1 ZINC000015105855 558987226 /nfs/dbraw/zinc/98/72/26/558987226.db2.gz JHTUWKCAYQYRBG-QFIPXVFZSA-N 1 2 422.916 3.608 40 0 HHABLO COc1ncccc1NC(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037498 559091186 /nfs/dbraw/zinc/09/11/86/559091186.db2.gz UHKUZWMOPRDRNP-OAQYLSRUSA-N 1 2 405.502 3.606 40 0 HHABLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000096080108 559094777 /nfs/dbraw/zinc/09/47/77/559094777.db2.gz KVWUKLMZJSPGSX-UHFFFAOYSA-N 1 2 415.497 3.618 40 0 HHABLO Oc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@H]2CCCO2)c(O)c1 ZINC000000904253 560544930 /nfs/dbraw/zinc/54/49/30/560544930.db2.gz MBBFPXPYRXMDJE-CYBMUJFWSA-N 1 2 404.264 3.766 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000910263 560546231 /nfs/dbraw/zinc/54/62/31/560546231.db2.gz QSYGAODJIWLGFK-HXUWFJFHSA-N 1 2 408.550 3.852 40 0 HHABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1nc2c(s1)CCCC2 ZINC000000929826 560557894 /nfs/dbraw/zinc/55/78/94/560557894.db2.gz DWSDWTJPQVBRMG-UHFFFAOYSA-N 1 2 422.539 3.882 40 0 HHABLO CC[C@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216484513 568465640 /nfs/dbraw/zinc/46/56/40/568465640.db2.gz SRNMJPKJAPQXQH-SFHVURJKSA-N 1 2 416.905 3.571 40 0 HHABLO CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670432 568494776 /nfs/dbraw/zinc/49/47/76/568494776.db2.gz AQZFVKKRVWNTIL-RTWAWAEBSA-N 1 2 412.582 3.522 40 0 HHABLO COc1ccc(Cn2nnnc2[C@H](CC(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000057671068 568494988 /nfs/dbraw/zinc/49/49/88/568494988.db2.gz CRSDTHJJISYTFJ-QHCPKHFHSA-N 1 2 420.561 3.639 40 0 HHABLO Cc1ccc(C(C)C)c(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000225599312 568655979 /nfs/dbraw/zinc/65/59/79/568655979.db2.gz OFLRHIMQQCEPQQ-UHFFFAOYSA-N 1 2 410.514 3.570 40 0 HHABLO Cc1cc(Nc2cc[nH+]c(NC3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)n[nH]1 ZINC000257220720 568782060 /nfs/dbraw/zinc/78/20/60/568782060.db2.gz DLWMYWJJVAEYNM-UHFFFAOYSA-N 1 2 411.897 3.622 40 0 HHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257227785 568784324 /nfs/dbraw/zinc/78/43/24/568784324.db2.gz FQWCMWHAEJBBIV-ICSRJNTNSA-N 1 2 409.313 3.836 40 0 HHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257227785 568784326 /nfs/dbraw/zinc/78/43/26/568784326.db2.gz FQWCMWHAEJBBIV-ICSRJNTNSA-N 1 2 409.313 3.836 40 0 HHABLO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@@H+]3Cc3cscn3)ccc2c1N ZINC000257233124 568785469 /nfs/dbraw/zinc/78/54/69/568785469.db2.gz GNXIAKOZFDDMGY-HNNXBMFYSA-N 1 2 401.561 3.764 40 0 HHABLO CN(C)C(=O)c1sc2nc([C@@H]3CCCC[N@H+]3Cc3cscn3)ccc2c1N ZINC000257233124 568785471 /nfs/dbraw/zinc/78/54/71/568785471.db2.gz GNXIAKOZFDDMGY-HNNXBMFYSA-N 1 2 401.561 3.764 40 0 HHABLO Cn1cncc1C[N@@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257237907 568786976 /nfs/dbraw/zinc/78/69/76/568786976.db2.gz HITIDOLLYYXQCI-BJLQDIEVSA-N 1 2 406.452 3.813 40 0 HHABLO Cn1cncc1C[N@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257237907 568786977 /nfs/dbraw/zinc/78/69/77/568786977.db2.gz HITIDOLLYYXQCI-BJLQDIEVSA-N 1 2 406.452 3.813 40 0 HHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCCOC)cc2)n1 ZINC000257247220 568789551 /nfs/dbraw/zinc/78/95/51/568789551.db2.gz IYALCORPPNAKBV-NRFANRHFSA-N 1 2 420.513 3.832 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3nnc(C)s3)n2)C1 ZINC000257262707 568793647 /nfs/dbraw/zinc/79/36/47/568793647.db2.gz LMMOJICLGCAYLM-LJQANCHMSA-N 1 2 411.531 3.876 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3nnc(C)s3)n2)C1 ZINC000257262707 568793648 /nfs/dbraw/zinc/79/36/48/568793648.db2.gz LMMOJICLGCAYLM-LJQANCHMSA-N 1 2 411.531 3.876 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1)Cc1ccccn1 ZINC000257299471 568804277 /nfs/dbraw/zinc/80/42/77/568804277.db2.gz RQELRKQYQIBAJI-LJQANCHMSA-N 1 2 422.504 3.638 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1)Cc1ccccn1 ZINC000257299471 568804278 /nfs/dbraw/zinc/80/42/78/568804278.db2.gz RQELRKQYQIBAJI-LJQANCHMSA-N 1 2 422.504 3.638 40 0 HHABLO C[C@H](Cc1c[nH]c2ccccc12)Nc1cc(-c2c3c(nn2C)CCCC3)[nH+]c(N)n1 ZINC000257322289 568811056 /nfs/dbraw/zinc/81/10/56/568811056.db2.gz WFIXVNDUWKUTKM-CQSZACIVSA-N 1 2 401.518 3.863 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c1 ZINC000257324838 568811782 /nfs/dbraw/zinc/81/17/82/568811782.db2.gz WQKJHAFHIWOHTK-LADGPHEKSA-N 1 2 412.505 3.913 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c1 ZINC000257324838 568811785 /nfs/dbraw/zinc/81/17/85/568811785.db2.gz WQKJHAFHIWOHTK-LADGPHEKSA-N 1 2 412.505 3.913 40 0 HHABLO Nc1cc(-c2cncnc2[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3)C2)cc[nH+]1 ZINC000257339775 568816056 /nfs/dbraw/zinc/81/60/56/568816056.db2.gz ZDCXJWJVXUTHTE-INIZCTEOSA-N 1 2 423.904 3.559 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C=Cc1ccccc1 ZINC000261363707 568819502 /nfs/dbraw/zinc/81/95/02/568819502.db2.gz HSZNVWXGDSIBNX-KQDNUWKFSA-O 1 2 405.503 3.827 40 0 HHABLO c1c([C@@H]2CN(Cc3cccnc3)CC[N@H+]2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306123182 568886400 /nfs/dbraw/zinc/88/64/00/568886400.db2.gz AGNRYBOSYYVWNB-QHCPKHFHSA-N 1 2 416.573 3.598 40 0 HHABLO c1c([C@@H]2CN(Cc3cccnc3)CC[N@@H+]2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306123182 568886402 /nfs/dbraw/zinc/88/64/02/568886402.db2.gz AGNRYBOSYYVWNB-QHCPKHFHSA-N 1 2 416.573 3.598 40 0 HHABLO c1cc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)co1 ZINC000306129153 568891856 /nfs/dbraw/zinc/89/18/56/568891856.db2.gz HVWIIHWUDVDTEW-JOCHJYFZSA-N 1 2 405.546 3.796 40 0 HHABLO c1cc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)co1 ZINC000306129153 568891857 /nfs/dbraw/zinc/89/18/57/568891857.db2.gz HVWIIHWUDVDTEW-JOCHJYFZSA-N 1 2 405.546 3.796 40 0 HHABLO c1csc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 ZINC000306138408 568900389 /nfs/dbraw/zinc/90/03/89/568900389.db2.gz RWYGJXNPRQZQQT-FQEVSTJZSA-N 1 2 420.494 3.760 40 0 HHABLO c1csc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 ZINC000306138408 568900392 /nfs/dbraw/zinc/90/03/92/568900392.db2.gz RWYGJXNPRQZQQT-FQEVSTJZSA-N 1 2 420.494 3.760 40 0 HHABLO CC[C@H](C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328974298 568970756 /nfs/dbraw/zinc/97/07/56/568970756.db2.gz FFKHYPFKCYMHFK-BBRMVZONSA-N 1 2 410.440 3.687 40 0 HHABLO CC[C@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000328980370 568971031 /nfs/dbraw/zinc/97/10/31/568971031.db2.gz GLSVJIWSOYXHCE-AWEZNQCLSA-N 1 2 412.335 3.967 40 0 HHABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329029283 568973525 /nfs/dbraw/zinc/97/35/25/568973525.db2.gz PZAFHWFEDTUKDH-CQSZACIVSA-N 1 2 402.420 3.851 40 0 HHABLO CC[C@H](C)Nc1nc(Nc2ccc(C(=O)OC)c(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000329025763 568973541 /nfs/dbraw/zinc/97/35/41/568973541.db2.gz PIQHQZSJOCKUHL-HNNXBMFYSA-N 1 2 406.486 3.737 40 0 HHABLO OCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329025313 568973550 /nfs/dbraw/zinc/97/35/50/568973550.db2.gz PFRFEAVBSDYNRB-UHFFFAOYSA-N 1 2 406.433 3.747 40 0 HHABLO CNc1nc(Nc2ccc(OC)c(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329067961 568975578 /nfs/dbraw/zinc/97/55/78/568975578.db2.gz YKYQRMIEHJPFSE-UHFFFAOYSA-N 1 2 420.391 3.689 40 0 HHABLO O=C(NCCCn1cc[nH+]c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000007342983 569337100 /nfs/dbraw/zinc/33/71/00/569337100.db2.gz XGBLTAXEYHISCO-UHFFFAOYSA-N 1 2 406.873 3.845 40 0 HHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(Cc4ccc(OC)cc4)cn3)C2)c(C)n1 ZINC000019692374 569346043 /nfs/dbraw/zinc/34/60/43/569346043.db2.gz UUZSLEUAQBRBOO-DEOSSOPVSA-N 1 2 406.530 3.779 40 0 HHABLO CCn1cc(C[N@H+]2CCO[C@H](c3ccc(Cc4ccc(OC)cc4)cn3)C2)c(C)n1 ZINC000019692374 569346044 /nfs/dbraw/zinc/34/60/44/569346044.db2.gz UUZSLEUAQBRBOO-DEOSSOPVSA-N 1 2 406.530 3.779 40 0 HHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)s1 ZINC000019693039 569346262 /nfs/dbraw/zinc/34/62/62/569346262.db2.gz FCQGYLQONHPTLR-LJQANCHMSA-N 1 2 413.522 3.687 40 0 HHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)s1 ZINC000019693039 569346263 /nfs/dbraw/zinc/34/62/63/569346263.db2.gz FCQGYLQONHPTLR-LJQANCHMSA-N 1 2 413.522 3.687 40 0 HHABLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCCC[C@H]1c1ncc(C(N)=O)c(C)n1 ZINC000019764674 569348992 /nfs/dbraw/zinc/34/89/92/569348992.db2.gz KSUWZBBEJLJGOF-NRFANRHFSA-N 1 2 422.508 3.553 40 0 HHABLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCCC[C@H]1c1ncc(C(N)=O)c(C)n1 ZINC000019764674 569348993 /nfs/dbraw/zinc/34/89/93/569348993.db2.gz KSUWZBBEJLJGOF-NRFANRHFSA-N 1 2 422.508 3.553 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000261363483 569413533 /nfs/dbraw/zinc/41/35/33/569413533.db2.gz SROOCXLEXJZNBQ-QGZVFWFLSA-O 1 2 417.898 3.589 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1 ZINC000261365114 569413701 /nfs/dbraw/zinc/41/37/01/569413701.db2.gz QDILBMALJCGAQQ-OAQYLSRUSA-O 1 2 407.519 3.942 40 0 HHABLO Cc1nc2cc(F)ccc2n1C1CC[NH+](Cc2nnnn2Cc2ccc(C)cc2)CC1 ZINC000004858354 571046142 /nfs/dbraw/zinc/04/61/42/571046142.db2.gz ONNHJATVRBWOQU-UHFFFAOYSA-N 1 2 419.508 3.664 40 0 HHABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccc(C)cc4)C[N@@H+]3C)n2)cc1 ZINC000012529926 291254291 /nfs/dbraw/zinc/25/42/91/291254291.db2.gz ANGUUQUIAXIKQU-HKUYNNGSSA-N 1 2 407.474 3.621 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)Nc4ccc(C)cc4)C[N@H+]3C)n2)cc1 ZINC000012529926 291254294 /nfs/dbraw/zinc/25/42/94/291254294.db2.gz ANGUUQUIAXIKQU-HKUYNNGSSA-N 1 2 407.474 3.621 40 0 biogenic,in-vitro HHABLO F[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112115 291258211 /nfs/dbraw/zinc/25/82/11/291258211.db2.gz PDMXAEHTJSAIPP-PBHICJAKSA-N 1 2 410.371 3.596 40 0 biogenic,in-vitro HHABLO F[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112115 291258215 /nfs/dbraw/zinc/25/82/15/291258215.db2.gz PDMXAEHTJSAIPP-PBHICJAKSA-N 1 2 410.371 3.596 40 0 biogenic,in-vitro HHABLO Cc1cccc(CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c1 ZINC000032508764 524457284 /nfs/dbraw/zinc/45/72/84/524457284.db2.gz OHHXMJJMQJSFMW-RBUKOAKNSA-N 1 2 420.987 3.919 40 0 HHABLO COc1cc(C(=S)NCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000408577894 557481227 /nfs/dbraw/zinc/48/12/27/557481227.db2.gz VMFHFEZFEAIYGA-UHFFFAOYSA-N 1 2 420.962 3.525 40 0 HHABLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000004388565 557550416 /nfs/dbraw/zinc/55/04/16/557550416.db2.gz PMKGRFSNNPPKJU-UHFFFAOYSA-N 1 2 414.889 3.645 40 0 HHABLO Cc1nc([C@@H]2CCCCN2Cc2[nH]cc[nH+]2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019741147 558261803 /nfs/dbraw/zinc/26/18/03/558261803.db2.gz UYRSUTPLVPWGJL-FQEVSTJZSA-N 1 2 416.529 3.715 40 0 HHABLO COc1ccc(S(=O)(=O)N2CCC(c3[nH+]c(C)n4c(C)csc34)CC2)cc1F ZINC000012087559 558322300 /nfs/dbraw/zinc/32/23/00/558322300.db2.gz HRVCOEZBIQQBFJ-UHFFFAOYSA-N 1 2 423.535 3.729 40 0 HHABLO COc1cc(C(=O)N2CCC(c3[nH+]c(C)n4ccsc34)CC2)cc(OC)c1OC ZINC000012087537 558322315 /nfs/dbraw/zinc/32/23/15/558322315.db2.gz BXXPSFBEYIBVSX-UHFFFAOYSA-N 1 2 415.515 3.750 40 0 HHABLO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2cc3c(cc2Cl)OCO3)n1 ZINC000012185938 558345174 /nfs/dbraw/zinc/34/51/74/558345174.db2.gz PKOMIWLJJRCXCW-KRWDZBQOSA-N 1 2 417.893 3.538 40 0 HHABLO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cc3c(cc2Cl)OCO3)n1 ZINC000012185938 558345175 /nfs/dbraw/zinc/34/51/75/558345175.db2.gz PKOMIWLJJRCXCW-KRWDZBQOSA-N 1 2 417.893 3.538 40 0 HHABLO CCOC(=O)c1cc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)ccc1Cl ZINC000038753557 558813985 /nfs/dbraw/zinc/81/39/85/558813985.db2.gz PRJKZRMOCKRGAY-UHFFFAOYSA-N 1 2 402.878 3.601 40 0 HHABLO Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1ccc2c(c1)[nH+]c(C(C)C)n2C ZINC000019286616 558860566 /nfs/dbraw/zinc/86/05/66/558860566.db2.gz LTIRYIICFVKTRI-UHFFFAOYSA-N 1 2 403.486 3.744 40 0 HHABLO Cn1cc(-c2cc(C(=O)Nc3ccc(CCc4[nH]c5ccccc5[nH+]4)cc3)no2)cn1 ZINC000019290762 558863228 /nfs/dbraw/zinc/86/32/28/558863228.db2.gz IANNJIYYTCINOZ-UHFFFAOYSA-N 1 2 412.453 3.989 40 0 HHABLO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Br)c1 ZINC000055211511 558876165 /nfs/dbraw/zinc/87/61/65/558876165.db2.gz URJJXRMXKLPNNI-UHFFFAOYSA-N 1 2 408.727 3.863 40 0 HHABLO Cc1ccc2c(C(=O)C[NH+]3CCC4(CC3)CC(=O)c3cc(O)ccc3O4)c[nH]c2c1 ZINC000057823324 558891230 /nfs/dbraw/zinc/89/12/30/558891230.db2.gz RXHKAZUDTOUZBX-UHFFFAOYSA-N 1 2 404.466 3.865 40 0 HHABLO Cc1noc2nc([C@H]3CCCN(C(=O)CCCn4cc[nH+]c4)C3)cc(C(F)(F)F)c12 ZINC000019563854 558923897 /nfs/dbraw/zinc/92/38/97/558923897.db2.gz SJPCOVDMQDAHJZ-AWEZNQCLSA-N 1 2 421.423 3.933 40 0 HHABLO Cc1c(NC(=O)C[N@@H+]2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cnn1C ZINC000072354241 558951610 /nfs/dbraw/zinc/95/16/10/558951610.db2.gz MWMQTUQVYRQUMM-QFIPXVFZSA-N 1 2 417.557 3.841 40 0 HHABLO Cc1c(NC(=O)C[N@H+]2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cnn1C ZINC000072354241 558951612 /nfs/dbraw/zinc/95/16/12/558951612.db2.gz MWMQTUQVYRQUMM-QFIPXVFZSA-N 1 2 417.557 3.841 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000072383112 558969107 /nfs/dbraw/zinc/96/91/07/558969107.db2.gz CZNKIKIZCWZKPS-SFHVURJKSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000072383112 558969108 /nfs/dbraw/zinc/96/91/08/558969108.db2.gz CZNKIKIZCWZKPS-SFHVURJKSA-N 1 2 404.495 3.517 40 0 HHABLO Cc1ccc([C@@H](CNC(=O)C2(c3cccc(C)c3)CCOCC2)[NH+]2CCOCC2)cc1 ZINC000019717672 558980533 /nfs/dbraw/zinc/98/05/33/558980533.db2.gz RRFFCAJVCOZZNC-XMMPIXPASA-N 1 2 422.569 3.541 40 0 HHABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2cc(Cl)ccc2O)CC3)c1 ZINC000585111546 559030591 /nfs/dbraw/zinc/03/05/91/559030591.db2.gz VFVMESQRLLRBBQ-UHFFFAOYSA-N 1 2 424.888 3.566 40 0 HHABLO CCOc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccccc4COC)n3CC2)cc1 ZINC000585111338 559031938 /nfs/dbraw/zinc/03/19/38/559031938.db2.gz OZIWIUUULPZXSY-UHFFFAOYSA-N 1 2 405.498 3.794 40 0 HHABLO COc1ccccc1CNC(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037509 559091190 /nfs/dbraw/zinc/09/11/90/559091190.db2.gz PCOFURPRKHVKLP-DEOSSOPVSA-N 1 2 418.541 3.888 40 0 HHABLO CC(C)CS(=O)(=O)N1CCC2(CCn3c(-c4cccc(Cl)c4)c[nH+]c32)CC1 ZINC000096080113 559094765 /nfs/dbraw/zinc/09/47/65/559094765.db2.gz ZJRGMSDARSTULO-UHFFFAOYSA-N 1 2 407.967 3.927 40 0 HHABLO O=C(N[C@@H](NCC[NH+]1CCCCC1)C(Cl)(Cl)Cl)[C@H]1C[C@@H]1c1ccccc1 ZINC000170614188 559278737 /nfs/dbraw/zinc/27/87/37/559278737.db2.gz NGJOOEHAMYQXBM-SOLBZPMBSA-N 1 2 418.796 3.678 40 0 HHABLO O=C(NCCn1cc[nH+]c1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257223017 559283682 /nfs/dbraw/zinc/28/36/82/559283682.db2.gz DVNKXKSVASZVDJ-UHFFFAOYSA-N 1 2 407.489 3.845 40 0 HHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000001224754 560572666 /nfs/dbraw/zinc/57/26/66/560572666.db2.gz CGSLSZAPCLKDFL-NRFANRHFSA-N 1 2 422.533 3.604 40 0 HHABLO CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000005271892 560625649 /nfs/dbraw/zinc/62/56/49/560625649.db2.gz YFMMOCVQZBMPGN-MHTWAQMVSA-N 1 2 422.912 3.738 40 0 HHABLO CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000005271892 560625650 /nfs/dbraw/zinc/62/56/50/560625650.db2.gz YFMMOCVQZBMPGN-MHTWAQMVSA-N 1 2 422.912 3.738 40 0 HHABLO Cc1ccc(CN2C(=O)N/C(=C\c3cccn3-c3ccc([NH+](C)C)cc3)C2=O)cc1 ZINC000408960255 560657796 /nfs/dbraw/zinc/65/77/96/560657796.db2.gz KHOFLVMWPDQMQN-JCMHNJIXSA-N 1 2 400.482 3.945 40 0 HHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012468894 560780815 /nfs/dbraw/zinc/78/08/15/560780815.db2.gz AOBNFHJTPHGWFG-IERDGZPVSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012468894 560780816 /nfs/dbraw/zinc/78/08/16/560780816.db2.gz AOBNFHJTPHGWFG-IERDGZPVSA-N 1 2 406.534 3.759 40 0 HHABLO COc1ccc2nc(NC(=O)C[NH+]3CCN(c4cccc(C)c4C)CC3)sc2c1 ZINC000036646455 560882796 /nfs/dbraw/zinc/88/27/96/560882796.db2.gz XXPRQMPGIYDHFM-UHFFFAOYSA-N 1 2 410.543 3.682 40 0 HHABLO CC[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057671804 568493732 /nfs/dbraw/zinc/49/37/32/568493732.db2.gz XUSAILJEIKHRER-QFIPXVFZSA-N 1 2 404.562 3.806 40 0 HHABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C ZINC000057670639 568494701 /nfs/dbraw/zinc/49/47/01/568494701.db2.gz GJZNFJLTFHRZPR-QHCPKHFHSA-N 1 2 404.562 3.858 40 0 HHABLO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670837 568494810 /nfs/dbraw/zinc/49/48/10/568494810.db2.gz LZGNAMFGWJOGLH-NRFANRHFSA-N 1 2 412.488 3.519 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)CC2)c1 ZINC000057670828 568494859 /nfs/dbraw/zinc/49/48/59/568494859.db2.gz XMFUYQJNGRWHLE-QHCPKHFHSA-N 1 2 422.552 3.997 40 0 HHABLO COc1cccc(-c2noc(CNC(=O)C3CC[NH+](c4ccc(C)cc4)CC3)n2)c1 ZINC000219866035 568499515 /nfs/dbraw/zinc/49/95/15/568499515.db2.gz KVBDUJJSKGMOPX-UHFFFAOYSA-N 1 2 406.486 3.586 40 0 HHABLO Cc1ccc(C)n1-n1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)nnc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225151698 568618227 /nfs/dbraw/zinc/61/82/27/568618227.db2.gz MDIBVYMKJJKNBR-WTGUMLROSA-N 1 2 412.626 3.964 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@@H](C)C2)nnc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225151698 568618228 /nfs/dbraw/zinc/61/82/28/568618228.db2.gz MDIBVYMKJJKNBR-WTGUMLROSA-N 1 2 412.626 3.964 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@@H](C)C2)nnc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225151698 568618230 /nfs/dbraw/zinc/61/82/30/568618230.db2.gz MDIBVYMKJJKNBR-WTGUMLROSA-N 1 2 412.626 3.964 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@H](C)C2)nnc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000225151698 568618232 /nfs/dbraw/zinc/61/82/32/568618232.db2.gz MDIBVYMKJJKNBR-WTGUMLROSA-N 1 2 412.626 3.964 40 0 HHABLO COc1cc(C)c(C[N@@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)c(C)c1C ZINC000257214075 568780180 /nfs/dbraw/zinc/78/01/80/568780180.db2.gz CKKXVLCLNGJOIS-NRFANRHFSA-N 1 2 420.517 3.518 40 0 HHABLO COc1cc(C)c(C[N@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)c(C)c1C ZINC000257214075 568780183 /nfs/dbraw/zinc/78/01/83/568780183.db2.gz CKKXVLCLNGJOIS-NRFANRHFSA-N 1 2 420.517 3.518 40 0 HHABLO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccn1 ZINC000257274257 568796896 /nfs/dbraw/zinc/79/68/96/568796896.db2.gz NKFNOZAVNLBNPB-RUZDIDTESA-N 1 2 416.525 3.635 40 0 HHABLO CN(C)C(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccn1 ZINC000257274257 568796898 /nfs/dbraw/zinc/79/68/98/568796898.db2.gz NKFNOZAVNLBNPB-RUZDIDTESA-N 1 2 416.525 3.635 40 0 HHABLO Cc1nc(Nc2cccc([C@H]3C[N@H+](Cc4cccnc4N(C)C)CCO3)n2)sc1C ZINC000257274475 568797038 /nfs/dbraw/zinc/79/70/38/568797038.db2.gz NLEHJWLRFGADPG-LJQANCHMSA-N 1 2 424.574 3.933 40 0 HHABLO Cc1nc(Nc2cccc([C@H]3C[N@@H+](Cc4cccnc4N(C)C)CCO3)n2)sc1C ZINC000257274475 568797039 /nfs/dbraw/zinc/79/70/39/568797039.db2.gz NLEHJWLRFGADPG-LJQANCHMSA-N 1 2 424.574 3.933 40 0 HHABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4nncs4)n3)C2)c2ccccc21 ZINC000257276059 568797378 /nfs/dbraw/zinc/79/73/78/568797378.db2.gz NSEYMWKRQDRJCN-IBGZPJMESA-N 1 2 406.515 3.742 40 0 HHABLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4nncs4)n3)C2)c2ccccc21 ZINC000257276059 568797379 /nfs/dbraw/zinc/79/73/79/568797379.db2.gz NSEYMWKRQDRJCN-IBGZPJMESA-N 1 2 406.515 3.742 40 0 HHABLO CCN1CCN(Cc2[nH]cc[nH+]2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257285748 568800276 /nfs/dbraw/zinc/80/02/76/568800276.db2.gz PIQCTFDVNLWUJC-FQEVSTJZSA-N 1 2 406.505 3.739 40 0 HHABLO CCN1CC[N@H+](Cc2ncc[nH]2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257285748 568800279 /nfs/dbraw/zinc/80/02/79/568800279.db2.gz PIQCTFDVNLWUJC-FQEVSTJZSA-N 1 2 406.505 3.739 40 0 HHABLO CCN1CC[N@@H+](Cc2ncc[nH]2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257285748 568800282 /nfs/dbraw/zinc/80/02/82/568800282.db2.gz PIQCTFDVNLWUJC-FQEVSTJZSA-N 1 2 406.505 3.739 40 0 HHABLO Cc1cc(N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)nc(C)[nH+]1 ZINC000257304808 568805977 /nfs/dbraw/zinc/80/59/77/568805977.db2.gz SNFKNGZMBLSMCS-FQEVSTJZSA-N 1 2 413.909 3.669 40 0 HHABLO COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1Cn1cc[nH+]c1 ZINC000257324945 568811830 /nfs/dbraw/zinc/81/18/30/568811830.db2.gz WQWHQKKHAPOZKM-AVVQQZOASA-N 1 2 423.557 3.959 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c1 ZINC000257324839 568811910 /nfs/dbraw/zinc/81/19/10/568811910.db2.gz WQKJHAFHIWOHTK-UPVQGACJSA-N 1 2 412.505 3.913 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c1 ZINC000257324839 568811911 /nfs/dbraw/zinc/81/19/11/568811911.db2.gz WQKJHAFHIWOHTK-UPVQGACJSA-N 1 2 412.505 3.913 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257342169 568816711 /nfs/dbraw/zinc/81/67/11/568816711.db2.gz ZNKIEQCYPGGINW-DEOSSOPVSA-N 1 2 417.509 3.738 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257342169 568816712 /nfs/dbraw/zinc/81/67/12/568816712.db2.gz ZNKIEQCYPGGINW-DEOSSOPVSA-N 1 2 417.509 3.738 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]21 ZINC000306123099 568886389 /nfs/dbraw/zinc/88/63/89/568886389.db2.gz AEINZCSFIVJCHE-HKUYNNGSSA-N 1 2 400.500 3.705 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]21 ZINC000306123099 568886390 /nfs/dbraw/zinc/88/63/90/568886390.db2.gz AEINZCSFIVJCHE-HKUYNNGSSA-N 1 2 400.500 3.705 40 0 HHABLO Cc1nc(Cn2cc[nH+]c2[C@H]2CN(C(=O)N3CCCC3)Cc3ccccc32)cs1 ZINC000306126063 568888806 /nfs/dbraw/zinc/88/88/06/568888806.db2.gz DLEGKJHZLDYJHQ-FQEVSTJZSA-N 1 2 407.543 3.860 40 0 HHABLO c1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)cc1 ZINC000306126427 568889252 /nfs/dbraw/zinc/88/92/52/568889252.db2.gz DVJLAMFVXUGELH-HSZRJFAPSA-N 1 2 414.465 3.699 40 0 HHABLO c1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)cc1 ZINC000306126427 568889255 /nfs/dbraw/zinc/88/92/55/568889255.db2.gz DVJLAMFVXUGELH-HSZRJFAPSA-N 1 2 414.465 3.699 40 0 HHABLO Cc1ncsc1C[N@@H+]1C[C@@H]2c3cc(-c4ccsc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306138362 568900461 /nfs/dbraw/zinc/90/04/61/568900461.db2.gz RVVMKMGFSYUUPQ-VQIMIIECSA-N 1 2 402.566 3.935 40 0 HHABLO Cc1ncsc1C[N@H+]1C[C@@H]2c3cc(-c4ccsc4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306138362 568900463 /nfs/dbraw/zinc/90/04/63/568900463.db2.gz RVVMKMGFSYUUPQ-VQIMIIECSA-N 1 2 402.566 3.935 40 0 HHABLO OCCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328964325 568969879 /nfs/dbraw/zinc/96/98/79/568969879.db2.gz BURWLNLGIPVOGG-UHFFFAOYSA-N 1 2 408.811 3.807 40 0 HHABLO CC[C@@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329030380 568973679 /nfs/dbraw/zinc/97/36/79/568973679.db2.gz QEEHXNKJUKANSL-CQSZACIVSA-N 1 2 412.335 3.967 40 0 HHABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(I)cc1 ZINC000226261072 569278675 /nfs/dbraw/zinc/27/86/75/569278675.db2.gz JVZGHQVZQUXIAE-UHFFFAOYSA-N 1 2 409.271 3.972 40 0 HHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230408 569313875 /nfs/dbraw/zinc/31/38/75/569313875.db2.gz QXLJMIWCZRGXKU-HULNYRCFSA-N 1 2 420.509 3.547 40 0 HHABLO COc1cccc(-c2ccc([C@H]3C[N@H+](Cc4cccnc4N(C)C)CCO3)nc2)c1 ZINC000019693511 569346449 /nfs/dbraw/zinc/34/64/49/569346449.db2.gz ADKZZBCOUKIVEW-HSZRJFAPSA-N 1 2 404.514 3.792 40 0 HHABLO COc1cccc(-c2ccc([C@H]3C[N@@H+](Cc4cccnc4N(C)C)CCO3)nc2)c1 ZINC000019693511 569346450 /nfs/dbraw/zinc/34/64/50/569346450.db2.gz ADKZZBCOUKIVEW-HSZRJFAPSA-N 1 2 404.514 3.792 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693663 569346473 /nfs/dbraw/zinc/34/64/73/569346473.db2.gz KYSFKROGSLXZKG-DEOSSOPVSA-N 1 2 417.509 3.738 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693663 569346474 /nfs/dbraw/zinc/34/64/74/569346474.db2.gz KYSFKROGSLXZKG-DEOSSOPVSA-N 1 2 417.509 3.738 40 0 HHABLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCCC[C@@H]1c1ncc(C(N)=O)c(C)n1 ZINC000019764676 569348986 /nfs/dbraw/zinc/34/89/86/569348986.db2.gz KSUWZBBEJLJGOF-OAQYLSRUSA-N 1 2 422.508 3.553 40 0 HHABLO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCCC[C@@H]1c1ncc(C(N)=O)c(C)n1 ZINC000019764676 569348987 /nfs/dbraw/zinc/34/89/87/569348987.db2.gz KSUWZBBEJLJGOF-OAQYLSRUSA-N 1 2 422.508 3.553 40 0 HHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(Cl)cc1 ZINC000261361770 569413456 /nfs/dbraw/zinc/41/34/56/569413456.db2.gz ASRVYEOGYGWQLX-LJQANCHMSA-O 1 2 413.910 3.816 40 0 HHABLO COC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000020098140 571039900 /nfs/dbraw/zinc/03/99/00/571039900.db2.gz FOFRCYPISZDHBL-UHFFFAOYSA-N 1 2 403.935 3.641 40 0 HHABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2OC)n1 ZINC000035424891 291251314 /nfs/dbraw/zinc/25/13/14/291251314.db2.gz CSCFYHOIOILWMC-SFHVURJKSA-N 1 2 409.490 3.536 40 0 biogenic,in-vitro HHABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccccc2OC)n1 ZINC000035424891 291251315 /nfs/dbraw/zinc/25/13/15/291251315.db2.gz CSCFYHOIOILWMC-SFHVURJKSA-N 1 2 409.490 3.536 40 0 biogenic,in-vitro HHABLO COc1ccc(C[NH2+]Cc2nc(-c3ccc(-c4ccnc(C)n4)cc3)no2)c(OC)c1 ZINC000072339985 524073705 /nfs/dbraw/zinc/07/37/05/524073705.db2.gz WBCKJZZDIALCBC-UHFFFAOYSA-N 1 2 417.469 3.809 40 0 HHABLO COc1ccc(S[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000044947683 525106745 /nfs/dbraw/zinc/10/67/45/525106745.db2.gz WNLATRLSPOQNAO-KRWDZBQOSA-N 1 2 400.544 3.529 40 0 HHABLO Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000072340562 527456757 /nfs/dbraw/zinc/45/67/57/527456757.db2.gz FGWQRPAIBPMVGQ-NRFANRHFSA-N 1 2 414.912 3.617 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000910514 557116324 /nfs/dbraw/zinc/11/63/24/557116324.db2.gz DSIDZPBTNSMEJV-HXUWFJFHSA-N 1 2 408.550 3.852 40 0 HHABLO COC(=O)c1c(NC(=O)CSCc2ccccc2C)sc2c1CC[N@H+](C)C2 ZINC000408577282 557480345 /nfs/dbraw/zinc/48/03/45/557480345.db2.gz XWCZYAYASACBBS-UHFFFAOYSA-N 1 2 404.557 3.703 40 0 HHABLO COC(=O)c1c(NC(=O)CSCc2ccccc2C)sc2c1CC[N@@H+](C)C2 ZINC000408577282 557480349 /nfs/dbraw/zinc/48/03/49/557480349.db2.gz XWCZYAYASACBBS-UHFFFAOYSA-N 1 2 404.557 3.703 40 0 HHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885587 557609956 /nfs/dbraw/zinc/60/99/56/557609956.db2.gz QXLJMIWCZRGXKU-AIFLQVKLSA-N 1 2 420.509 3.547 40 0 HHABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)c1 ZINC000035848106 557641204 /nfs/dbraw/zinc/64/12/04/557641204.db2.gz LKISCTNMRXYASH-BURNTYAHSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)c1 ZINC000035848106 557641209 /nfs/dbraw/zinc/64/12/09/557641209.db2.gz LKISCTNMRXYASH-BURNTYAHSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1n[nH]cc1C(=O)N1CCn2c([nH+]c(-c3ccc(N(C)C)cc3)c2NC(C)(C)C)C1 ZINC000012116235 558328266 /nfs/dbraw/zinc/32/82/66/558328266.db2.gz CBJWRUUSKQKJEQ-UHFFFAOYSA-N 1 2 421.549 3.514 40 0 HHABLO CC(C)c1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020105290 558332962 /nfs/dbraw/zinc/33/29/62/558332962.db2.gz PGBVMKBMWYEKIV-GOSISDBHSA-N 1 2 410.514 3.650 40 0 HHABLO CCc1c(C)sc2ncn([C@H]3CCC[N@H+](CC(=O)N(C(C)C)C(C)C)C3)c(=O)c12 ZINC000012184179 558344322 /nfs/dbraw/zinc/34/43/22/558344322.db2.gz KTKPDFVZFWYPJQ-KRWDZBQOSA-N 1 2 418.607 3.611 40 0 HHABLO CCc1c(C)sc2ncn([C@H]3CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C3)c(=O)c12 ZINC000012184179 558344325 /nfs/dbraw/zinc/34/43/25/558344325.db2.gz KTKPDFVZFWYPJQ-KRWDZBQOSA-N 1 2 418.607 3.611 40 0 HHABLO C[NH+]1CCN(C(=O)CSc2nc3c(c(-c4ccc(Cl)cc4)n2)CCCC3)CC1 ZINC000016189079 558777006 /nfs/dbraw/zinc/77/70/06/558777006.db2.gz RKRCHXITHFXIGS-UHFFFAOYSA-N 1 2 416.978 3.542 40 0 HHABLO COc1ccc([C@@H](CN(C)C(=O)Cc2coc3cc(C)ccc23)[NH+]2CCOCC2)cc1 ZINC000019221576 558851925 /nfs/dbraw/zinc/85/19/25/558851925.db2.gz HIDODUPCAPOUPB-HSZRJFAPSA-N 1 2 422.525 3.824 40 0 HHABLO CC(C)c1cccc(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000019366046 558876799 /nfs/dbraw/zinc/87/67/99/558876799.db2.gz PDKHDYYCCPDKCB-JWQCQUIFSA-N 1 2 422.569 3.767 40 0 HHABLO CC(C)c1[nH+]c2cc(NC(=O)c3ccccc3OCCN3CCCC3=O)ccc2n1C ZINC000019453823 558890984 /nfs/dbraw/zinc/89/09/84/558890984.db2.gz SNEKWDMNPWHSGA-UHFFFAOYSA-N 1 2 420.513 3.950 40 0 HHABLO CCc1cc(C(F)(F)F)nc([C@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)o3)C2)n1 ZINC000019522563 558903712 /nfs/dbraw/zinc/90/37/12/558903712.db2.gz CNPGMOCIQQYRFO-ZDUSSCGKSA-N 1 2 419.407 3.525 40 0 HHABLO COc1cc(C[N@@H+]2CCC[C@H]2c2nnc(-c3scnc3C)o2)cc(OC)c1OC ZINC000019562995 558923482 /nfs/dbraw/zinc/92/34/82/558923482.db2.gz ZCVJONSELGWGIA-AWEZNQCLSA-N 1 2 416.503 3.864 40 0 HHABLO COc1cc(C[N@H+]2CCC[C@H]2c2nnc(-c3scnc3C)o2)cc(OC)c1OC ZINC000019562995 558923485 /nfs/dbraw/zinc/92/34/85/558923485.db2.gz ZCVJONSELGWGIA-AWEZNQCLSA-N 1 2 416.503 3.864 40 0 HHABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)c1ccc(Cn2cccn2)o1 ZINC000072324122 558933091 /nfs/dbraw/zinc/93/30/91/558933091.db2.gz JDUCPQDPHNCNNW-OAQYLSRUSA-N 1 2 410.493 3.646 40 0 HHABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)c1ccc(Cn2cccn2)o1 ZINC000072324122 558933095 /nfs/dbraw/zinc/93/30/95/558933095.db2.gz JDUCPQDPHNCNNW-OAQYLSRUSA-N 1 2 410.493 3.646 40 0 HHABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cnc(N(C)C)nc1)CC2 ZINC000019585560 558939079 /nfs/dbraw/zinc/93/90/79/558939079.db2.gz HXYGQCKSFIJSHD-HSZRJFAPSA-N 1 2 404.514 3.708 40 0 HHABLO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cnc(N(C)C)nc1)CC2 ZINC000019585560 558939082 /nfs/dbraw/zinc/93/90/82/558939082.db2.gz HXYGQCKSFIJSHD-HSZRJFAPSA-N 1 2 404.514 3.708 40 0 HHABLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCO[C@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019594991 558945890 /nfs/dbraw/zinc/94/58/90/558945890.db2.gz BKGWINIEPYHOGS-QHCPKHFHSA-N 1 2 412.461 3.973 40 0 HHABLO COc1cc(OC)c(OC)cc1C[N@H+]1CCO[C@H](c2cc3cc(F)ccc3cn2)C1 ZINC000019594991 558945892 /nfs/dbraw/zinc/94/58/92/558945892.db2.gz BKGWINIEPYHOGS-QHCPKHFHSA-N 1 2 412.461 3.973 40 0 HHABLO Cc1cc2c(cc1C[N@@H+]1CCc3onc(Nc4ccccc4F)c3C1)n(C)c(=O)n2C ZINC000072351383 558947994 /nfs/dbraw/zinc/94/79/94/558947994.db2.gz TZEYIAZFXMAVLD-UHFFFAOYSA-N 1 2 421.476 3.614 40 0 HHABLO Cc1cc2c(cc1C[N@H+]1CCc3onc(Nc4ccccc4F)c3C1)n(C)c(=O)n2C ZINC000072351383 558947996 /nfs/dbraw/zinc/94/79/96/558947996.db2.gz TZEYIAZFXMAVLD-UHFFFAOYSA-N 1 2 421.476 3.614 40 0 HHABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000072355357 558952636 /nfs/dbraw/zinc/95/26/36/558952636.db2.gz BXHIPNDDMPSEMS-UHFFFAOYSA-N 1 2 414.513 3.655 40 0 HHABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)Cn2ccc3ccccc32)cc[nH+]1 ZINC000072360807 558955721 /nfs/dbraw/zinc/95/57/21/558955721.db2.gz GJUBQWBGWODFJN-HXUWFJFHSA-N 1 2 400.486 3.762 40 0 HHABLO CCn1ccnc1C[NH+]1CCC([C@@H]2CC=CCN(CCc3ccccc3)C2=O)CC1 ZINC000019698470 558965984 /nfs/dbraw/zinc/96/59/84/558965984.db2.gz QPVFORDMZXNVOZ-QHCPKHFHSA-N 1 2 406.574 3.762 40 0 HHABLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCCC3)cc1OC ZINC000072399286 558977191 /nfs/dbraw/zinc/97/71/91/558977191.db2.gz ZQRDPGFOCCXZPS-MRXNPFEDSA-N 1 2 401.532 3.815 40 0 HHABLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2nc3c(s2)CCCC3)cc1OC ZINC000072399286 558977194 /nfs/dbraw/zinc/97/71/94/558977194.db2.gz ZQRDPGFOCCXZPS-MRXNPFEDSA-N 1 2 401.532 3.815 40 0 HHABLO COc1ccccc1N1CC[N@H+](Cc2c(C)n(C)nc2-c2ccccc2)[C@@H](C)C1=O ZINC000019715859 558977377 /nfs/dbraw/zinc/97/73/77/558977377.db2.gz DIWKRLKTUCVRRD-SFHVURJKSA-N 1 2 404.514 3.641 40 0 HHABLO COc1ccccc1N1CC[N@@H+](Cc2c(C)n(C)nc2-c2ccccc2)[C@@H](C)C1=O ZINC000019715859 558977379 /nfs/dbraw/zinc/97/73/79/558977379.db2.gz DIWKRLKTUCVRRD-SFHVURJKSA-N 1 2 404.514 3.641 40 0 HHABLO Cc1ccc(OCC[NH+]2CCOCC2)c(NC(=O)c2cc3cc(F)ccc3nc2C)c1 ZINC000019718111 558981264 /nfs/dbraw/zinc/98/12/64/558981264.db2.gz WYROPIBLOAHXBS-UHFFFAOYSA-N 1 2 423.488 3.954 40 0 HHABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc(F)cc2OC)CC3)c1 ZINC000585111621 559030577 /nfs/dbraw/zinc/03/05/77/559030577.db2.gz YKRDQVGNAMRROJ-UHFFFAOYSA-N 1 2 409.461 3.543 40 0 HHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3-c3ccccc3)CC[N@@H+]2C)c1 ZINC000585261799 559109374 /nfs/dbraw/zinc/10/93/74/559109374.db2.gz LXJHJOGJRYCMOM-XMMPIXPASA-N 1 2 413.521 3.842 40 0 HHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3-c3ccccc3)CC[N@H+]2C)c1 ZINC000585261799 559109376 /nfs/dbraw/zinc/10/93/76/559109376.db2.gz LXJHJOGJRYCMOM-XMMPIXPASA-N 1 2 413.521 3.842 40 0 HHABLO Cc1nc(Nc2cc([C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)sc1C ZINC000585291128 559123637 /nfs/dbraw/zinc/12/36/37/559123637.db2.gz LGBPZKNZKRVTJQ-MOEXGYKKSA-N 1 2 423.546 3.744 40 0 HHABLO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000000925659 560556826 /nfs/dbraw/zinc/55/68/26/560556826.db2.gz DSRKPKJLSYRWOR-UHFFFAOYSA-N 1 2 408.550 3.913 40 0 HHABLO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000000925659 560556827 /nfs/dbraw/zinc/55/68/27/560556827.db2.gz DSRKPKJLSYRWOR-UHFFFAOYSA-N 1 2 408.550 3.913 40 0 HHABLO COc1ccc([C@@H](c2nnnn2CCc2ccccc2)[NH+]2CCC(C)CC2)cc1OC ZINC000004847699 560609509 /nfs/dbraw/zinc/60/95/09/560609509.db2.gz VYRMQACAXUIVTH-QHCPKHFHSA-N 1 2 421.545 3.754 40 0 HHABLO COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000103519009 560734146 /nfs/dbraw/zinc/73/41/46/560734146.db2.gz ZWAWMFMLFCFDMR-GPJHCHHRSA-N 1 2 424.456 3.528 40 0 HHABLO COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000103519009 560734148 /nfs/dbraw/zinc/73/41/48/560734148.db2.gz ZWAWMFMLFCFDMR-GPJHCHHRSA-N 1 2 424.456 3.528 40 0 HHABLO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219247075 568488422 /nfs/dbraw/zinc/48/84/22/568488422.db2.gz KRHHIWXFBKXHEK-OAQYLSRUSA-N 1 2 410.514 3.560 40 0 HHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670736 568494881 /nfs/dbraw/zinc/49/48/81/568494881.db2.gz ZMOWFQKDAPJUIP-NRFANRHFSA-N 1 2 408.525 3.751 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3Cc3ccco3)CC2)c1 ZINC000057671254 568495161 /nfs/dbraw/zinc/49/51/61/568495161.db2.gz VCTUBUXBRCLRLZ-QFIPXVFZSA-N 1 2 408.550 3.841 40 0 HHABLO COc1ccc(-c2noc(CNC(=O)C3CC[NH+](c4ccc(C)cc4)CC3)n2)cc1 ZINC000219866097 568499517 /nfs/dbraw/zinc/49/95/17/568499517.db2.gz XOQLBOMXTHHGKK-UHFFFAOYSA-N 1 2 406.486 3.586 40 0 HHABLO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223013023 568534375 /nfs/dbraw/zinc/53/43/75/568534375.db2.gz YXNPNNLGFGLRRQ-UHFFFAOYSA-N 1 2 414.918 3.943 40 0 HHABLO CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225029677 568609926 /nfs/dbraw/zinc/60/99/26/568609926.db2.gz VWQVSQGQYOOZQK-UHFFFAOYSA-N 1 2 407.861 3.907 40 0 HHABLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@H](c4cccc(Nc5ncccn5)n4)C3)ccc2O1 ZINC000257252522 568791113 /nfs/dbraw/zinc/79/11/13/568791113.db2.gz JVBNKHIKIQOKTK-NRFANRHFSA-N 1 2 417.513 3.902 40 0 HHABLO CC1(C)Cc2cc(C[N@H+]3CCO[C@H](c4cccc(Nc5ncccn5)n4)C3)ccc2O1 ZINC000257252522 568791115 /nfs/dbraw/zinc/79/11/15/568791115.db2.gz JVBNKHIKIQOKTK-NRFANRHFSA-N 1 2 417.513 3.902 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@]3(CCCO3)[C@@H](OC)C1)oc1ccccc12 ZINC000257272745 568796400 /nfs/dbraw/zinc/79/64/00/568796400.db2.gz NDRGQHQJIZLHOX-LADGPHEKSA-N 1 2 424.497 3.803 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@]3(CCCO3)[C@@H](OC)C1)oc1ccccc12 ZINC000257272745 568796401 /nfs/dbraw/zinc/79/64/01/568796401.db2.gz NDRGQHQJIZLHOX-LADGPHEKSA-N 1 2 424.497 3.803 40 0 HHABLO COc1cccc(OCCc2cc([C@@H]3C[N@H+](Cc4cccc(C)c4)CCO3)n[nH]2)c1 ZINC000257283181 568799267 /nfs/dbraw/zinc/79/92/67/568799267.db2.gz OXCAFXJFFHJHSM-DEOSSOPVSA-N 1 2 407.514 3.922 40 0 HHABLO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)n[nH]2)c1 ZINC000257283181 568799268 /nfs/dbraw/zinc/79/92/68/568799268.db2.gz OXCAFXJFFHJHSM-DEOSSOPVSA-N 1 2 407.514 3.922 40 0 HHABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1C ZINC000257284818 568800007 /nfs/dbraw/zinc/80/00/07/568800007.db2.gz PELJMCWGIRFSFN-UHFFFAOYSA-N 1 2 411.456 3.559 40 0 HHABLO COc1cccc(Cc2cc(C)nc([C@@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)c2)c1 ZINC000257302536 568804996 /nfs/dbraw/zinc/80/49/96/568804996.db2.gz SDGSANDWYBYYAV-DEOSSOPVSA-N 1 2 406.530 3.605 40 0 HHABLO COc1cccc(Cc2cc(C)nc([C@@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)c2)c1 ZINC000257302536 568804997 /nfs/dbraw/zinc/80/49/97/568804997.db2.gz SDGSANDWYBYYAV-DEOSSOPVSA-N 1 2 406.530 3.605 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)[C@@H]2c1ccccc1F ZINC000261363339 568819487 /nfs/dbraw/zinc/81/94/87/568819487.db2.gz GWMHLNZXKBKWPN-SFHVURJKSA-O 1 2 417.873 3.565 40 0 HHABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccc(Cl)o1)CCO2 ZINC000306125295 568888073 /nfs/dbraw/zinc/88/80/73/568888073.db2.gz CLMVITGJNGYQAP-DNVCBOLYSA-N 1 2 409.939 3.642 40 0 HHABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(Cl)o1)CCO2 ZINC000306125295 568888075 /nfs/dbraw/zinc/88/80/75/568888075.db2.gz CLMVITGJNGYQAP-DNVCBOLYSA-N 1 2 409.939 3.642 40 0 HHABLO c1cc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)co1 ZINC000306129154 568891897 /nfs/dbraw/zinc/89/18/97/568891897.db2.gz HVWIIHWUDVDTEW-QFIPXVFZSA-N 1 2 405.546 3.796 40 0 HHABLO c1cc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)co1 ZINC000306129154 568891899 /nfs/dbraw/zinc/89/18/99/568891899.db2.gz HVWIIHWUDVDTEW-QFIPXVFZSA-N 1 2 405.546 3.796 40 0 HHABLO Cc1cccc(C(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306130261 568892754 /nfs/dbraw/zinc/89/27/54/568892754.db2.gz JAJFHEHJUODSFB-BWKNWUBXSA-N 1 2 420.557 3.641 40 0 HHABLO COc1ccc(C(=O)N2C[C@@H]3CCn4c(-c5cccc(OC)c5)c[nH+]c4[C@H]3C2)cc1 ZINC000306130610 568893061 /nfs/dbraw/zinc/89/30/61/568893061.db2.gz JKVXIARMYWHLOX-RXVVDRJESA-N 1 2 403.482 3.827 40 0 HHABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccccn1)CC21CCN(c2ncccn2)CC1 ZINC000306136609 568898382 /nfs/dbraw/zinc/89/83/82/568898382.db2.gz PYAHAIFZVVOKMO-UHFFFAOYSA-N 1 2 417.561 3.511 40 0 HHABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccccn1)CC21CCN(c2ncccn2)CC1 ZINC000306136609 568898383 /nfs/dbraw/zinc/89/83/83/568898383.db2.gz PYAHAIFZVVOKMO-UHFFFAOYSA-N 1 2 417.561 3.511 40 0 HHABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1ccccn1)CC21CCN(c2ncccn2)CC1 ZINC000306136609 568898384 /nfs/dbraw/zinc/89/83/84/568898384.db2.gz PYAHAIFZVVOKMO-UHFFFAOYSA-N 1 2 417.561 3.511 40 0 HHABLO FC(F)(F)Oc1cccc(-c2cc(NC[C@H]3CCCO3)nc(NC3CCCC3)[nH+]2)c1 ZINC000329008473 568972352 /nfs/dbraw/zinc/97/23/52/568972352.db2.gz LQTOGGRISQBTHT-QGZVFWFLSA-N 1 2 422.451 3.831 40 0 HHABLO CCNc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329031342 568973633 /nfs/dbraw/zinc/97/36/33/568973633.db2.gz QISIOJJKWOSULB-UHFFFAOYSA-N 1 2 402.420 3.972 40 0 HHABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cccc(I)c1 ZINC000226261156 569278665 /nfs/dbraw/zinc/27/86/65/569278665.db2.gz VIMBVLHKJWEYGK-UHFFFAOYSA-N 1 2 409.271 3.972 40 0 HHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)s1 ZINC000019693040 569346293 /nfs/dbraw/zinc/34/62/93/569346293.db2.gz ACFDXIBSKCOCLF-IBGZPJMESA-N 1 2 413.522 3.687 40 0 HHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)s1 ZINC000019693040 569346294 /nfs/dbraw/zinc/34/62/94/569346294.db2.gz ACFDXIBSKCOCLF-IBGZPJMESA-N 1 2 413.522 3.687 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1sccc1C ZINC000261362063 569413358 /nfs/dbraw/zinc/41/33/58/569413358.db2.gz BZIJQZIKFMTPKJ-LJQANCHMSA-O 1 2 413.548 3.922 40 0 HHABLO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)n1 ZINC000096111789 291255619 /nfs/dbraw/zinc/25/56/19/291255619.db2.gz SSMTXUUABSIOLX-UNMCSNQZSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)n1 ZINC000096111789 291255622 /nfs/dbraw/zinc/25/56/22/291255622.db2.gz SSMTXUUABSIOLX-UNMCSNQZSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3ccc(F)cc3)n2)c1 ZINC000015675876 291257380 /nfs/dbraw/zinc/25/73/80/291257380.db2.gz ZITINFDJJOIPHL-IBGZPJMESA-N 1 2 403.417 3.847 40 0 biogenic,in-vitro HHABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3ccc(F)cc3)n2)c1 ZINC000015675876 291257382 /nfs/dbraw/zinc/25/73/82/291257382.db2.gz ZITINFDJJOIPHL-IBGZPJMESA-N 1 2 403.417 3.847 40 0 biogenic,in-vitro HHABLO Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NCC[NH+]1CCOCC1 ZINC000020470454 525506664 /nfs/dbraw/zinc/50/66/64/525506664.db2.gz NXZWAQDOXMMNAF-UHFFFAOYSA-N 1 2 409.917 3.926 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000907676 557115733 /nfs/dbraw/zinc/11/57/33/557115733.db2.gz XZWBNNLMBYFMIP-FQEVSTJZSA-N 1 2 408.550 3.789 40 0 HHABLO COc1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(OC)cc2)cc1 ZINC000001346602 557256866 /nfs/dbraw/zinc/25/68/66/557256866.db2.gz HCRVEAMKGYFFRC-UHFFFAOYSA-N 1 2 421.482 3.564 40 0 HHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885590 557609973 /nfs/dbraw/zinc/60/99/73/557609973.db2.gz QXLJMIWCZRGXKU-UKDJSQQHSA-N 1 2 420.509 3.547 40 0 HHABLO O=C(CCCOc1ccc(Cl)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408705496 557731387 /nfs/dbraw/zinc/73/13/87/557731387.db2.gz HBDXVYCASBJSRV-UHFFFAOYSA-N 1 2 416.905 3.572 40 0 HHABLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719749 558258169 /nfs/dbraw/zinc/25/81/69/558258169.db2.gz MXTIYYWELNSCIY-AWEZNQCLSA-N 1 2 412.563 3.605 40 0 HHABLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)s1 ZINC000019719749 558258173 /nfs/dbraw/zinc/25/81/73/558258173.db2.gz MXTIYYWELNSCIY-AWEZNQCLSA-N 1 2 412.563 3.605 40 0 HHABLO Cn1cc[nH+]c1[C@@H](NC(=O)CC1CCN(C(=O)CC2CCCCC2)CC1)C1CC1 ZINC000019748785 558267962 /nfs/dbraw/zinc/26/79/62/558267962.db2.gz RQVFLIYZANWYAJ-QFIPXVFZSA-N 1 2 400.567 3.587 40 0 HHABLO CC(C)c1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020105289 558333032 /nfs/dbraw/zinc/33/30/32/558333032.db2.gz PGBVMKBMWYEKIV-SFHVURJKSA-N 1 2 410.514 3.650 40 0 HHABLO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000020494153 558379504 /nfs/dbraw/zinc/37/95/04/558379504.db2.gz HRULLAAGECERAH-UHFFFAOYSA-N 1 2 402.878 3.601 40 0 HHABLO CCc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(Br)c1 ZINC000022525757 558495609 /nfs/dbraw/zinc/49/56/09/558495609.db2.gz NONFSOWWZSODCR-UHFFFAOYSA-N 1 2 414.303 3.892 40 0 HHABLO O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038855895 558819240 /nfs/dbraw/zinc/81/92/40/558819240.db2.gz DIOSBWBHFIEZAD-UHFFFAOYSA-N 1 2 400.438 3.707 40 0 HHABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019237581 558856853 /nfs/dbraw/zinc/85/68/53/558856853.db2.gz ZJECNQUMIFKEAO-UHFFFAOYSA-N 1 2 419.573 3.527 40 0 HHABLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019237581 558856855 /nfs/dbraw/zinc/85/68/55/558856855.db2.gz ZJECNQUMIFKEAO-UHFFFAOYSA-N 1 2 419.573 3.527 40 0 HHABLO Cc1nn(-c2ccccc2C)c(C)c1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019237581 558856856 /nfs/dbraw/zinc/85/68/56/558856856.db2.gz ZJECNQUMIFKEAO-UHFFFAOYSA-N 1 2 419.573 3.527 40 0 HHABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(F)cc1 ZINC000019291195 558863539 /nfs/dbraw/zinc/86/35/39/558863539.db2.gz ZRJXPVBOLZGZJM-SFHVURJKSA-N 1 2 411.462 3.509 40 0 HHABLO CCCC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000057670682 558889754 /nfs/dbraw/zinc/88/97/54/558889754.db2.gz NSZINMAWMVCHKJ-JOCHJYFZSA-N 1 2 420.561 3.784 40 0 HHABLO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000019521962 558903242 /nfs/dbraw/zinc/90/32/42/558903242.db2.gz UUXMOJWDJVIYCW-ZDUSSCGKSA-N 1 2 421.423 3.797 40 0 HHABLO COc1cc(CCC(=O)N2CCC(c3[nH+]c(C)n4c(C)c(C)sc34)CC2)on1 ZINC000019561801 558922577 /nfs/dbraw/zinc/92/25/77/558922577.db2.gz IYYQXMSAZNXRGP-UHFFFAOYSA-N 1 2 402.520 3.656 40 0 HHABLO Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)[nH+]1 ZINC000019570321 558929176 /nfs/dbraw/zinc/92/91/76/558929176.db2.gz PMWBJMHOSNCOGU-KRWDZBQOSA-N 1 2 405.502 3.991 40 0 HHABLO Cc1nn([C@@H](C)CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c(C)c1Cl ZINC000019577546 558933347 /nfs/dbraw/zinc/93/33/47/558933347.db2.gz BGHQKGUKYXENTN-BUXKBTBVSA-N 1 2 403.889 3.883 40 0 HHABLO O[C@H](c1nccs1)c1cccc(F)c1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000072340543 558939126 /nfs/dbraw/zinc/93/91/26/558939126.db2.gz FGXAIWCLYBAGIT-FQEVSTJZSA-N 1 2 401.482 3.825 40 0 HHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccc(OC)cc2OC)CC1 ZINC000072347658 558944702 /nfs/dbraw/zinc/94/47/02/558944702.db2.gz NNHSGUNRUVZGNI-UHFFFAOYSA-N 1 2 422.529 3.606 40 0 HHABLO Cc1ccc(C[N@@H+]2CCO[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)cc1C ZINC000019697617 558965389 /nfs/dbraw/zinc/96/53/89/558965389.db2.gz XJCZZGRKECCKOJ-FQEVSTJZSA-N 1 2 424.566 3.814 40 0 HHABLO Cc1ccc(C[N@H+]2CCO[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)cc1C ZINC000019697617 558965391 /nfs/dbraw/zinc/96/53/91/558965391.db2.gz XJCZZGRKECCKOJ-FQEVSTJZSA-N 1 2 424.566 3.814 40 0 HHABLO Cc1cc(C)cc(C(=O)N2C[C@]3(C[C@@H]2c2cn(C)c[nH+]2)CCCN(CC2CC2)C3=O)c1 ZINC000585106479 559028758 /nfs/dbraw/zinc/02/87/58/559028758.db2.gz SLUHZSWSOGQCFK-RCZVLFRGSA-N 1 2 420.557 3.643 40 0 HHABLO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000118917665 559205703 /nfs/dbraw/zinc/20/57/03/559205703.db2.gz ZFVBYRDTMKLTPA-AACWBSLOSA-N 1 2 415.574 3.639 40 0 HHABLO COc1ccccc1-c1cccc(CC2(C(=O)NCCn3cc[nH+]c3)CCOCC2)c1 ZINC000257259006 559284708 /nfs/dbraw/zinc/28/47/08/559284708.db2.gz KWKNMLBDNHUNLX-UHFFFAOYSA-N 1 2 419.525 3.714 40 0 HHABLO O=C(NCCc1c[nH+]c[nH]1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257343793 559285163 /nfs/dbraw/zinc/28/51/63/559285163.db2.gz ZULFRTUUZNIAFM-UHFFFAOYSA-N 1 2 407.489 3.914 40 0 HHABLO O=C(NCCc1c[nH]c[nH+]1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257343793 559285165 /nfs/dbraw/zinc/28/51/65/559285165.db2.gz ZULFRTUUZNIAFM-UHFFFAOYSA-N 1 2 407.489 3.914 40 0 HHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000892910 560543155 /nfs/dbraw/zinc/54/31/55/560543155.db2.gz WKCWHBSSIBEIRR-NRFANRHFSA-N 1 2 422.533 3.604 40 0 HHABLO Oc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@@H]2CCCO2)c(O)c1 ZINC000000904255 560544936 /nfs/dbraw/zinc/54/49/36/560544936.db2.gz MBBFPXPYRXMDJE-ZDUSSCGKSA-N 1 2 404.264 3.766 40 0 HHABLO CCn1c(SC)nnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000005001437 560620117 /nfs/dbraw/zinc/62/01/17/560620117.db2.gz XMECNKORDNBGBX-CYBMUJFWSA-N 1 2 423.970 3.500 40 0 HHABLO CCn1c(SC)nnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000005001437 560620118 /nfs/dbraw/zinc/62/01/18/560620118.db2.gz XMECNKORDNBGBX-CYBMUJFWSA-N 1 2 423.970 3.500 40 0 HHABLO COc1ccc(C2(O)CC[NH+](CC(=O)Nc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000004967760 560622167 /nfs/dbraw/zinc/62/21/67/560622167.db2.gz MQEJNLQQVOTRDW-UHFFFAOYSA-N 1 2 423.538 3.741 40 0 HHABLO COc1cccc(Nc2nc(N)nc(C[NH+]3CCC(Cc4ccccc4)CC3)n2)c1 ZINC000017082901 560862266 /nfs/dbraw/zinc/86/22/66/560862266.db2.gz SLCNYURXQQQLJW-UHFFFAOYSA-N 1 2 404.518 3.661 40 0 HHABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)C(C)C)CC1 ZINC000020121560 560880709 /nfs/dbraw/zinc/88/07/09/560880709.db2.gz FIAIPGQXBFHDHN-JOCHJYFZSA-N 1 2 412.582 3.702 40 0 HHABLO COCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219858691 568499185 /nfs/dbraw/zinc/49/91/85/568499185.db2.gz SEWSOBVCRHVYLS-UHFFFAOYSA-N 1 2 409.530 3.616 40 0 HHABLO O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224059158 568568257 /nfs/dbraw/zinc/56/82/57/568568257.db2.gz BXLOWSIWLGWVAW-QPJJXVBHSA-N 1 2 406.917 3.997 40 0 HHABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccnc1 ZINC000027825129 568577253 /nfs/dbraw/zinc/57/72/53/568577253.db2.gz LACBXCAPYCARJC-HXUWFJFHSA-O 1 2 400.487 3.796 40 0 HHABLO O=C(CSCc1ccc(Cl)cc1F)NCc1ccccc1C[NH+]1CCOCC1 ZINC000224604920 568587644 /nfs/dbraw/zinc/58/76/44/568587644.db2.gz WHWUAAVOQFBZEQ-UHFFFAOYSA-N 1 2 422.953 3.861 40 0 HHABLO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225615257 568657171 /nfs/dbraw/zinc/65/71/71/568657171.db2.gz OWSMWULBZNOAPJ-UHFFFAOYSA-N 1 2 406.567 3.814 40 0 HHABLO O=C(CCc1nc(-c2cccc(F)c2)no1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225801787 568675655 /nfs/dbraw/zinc/67/56/55/568675655.db2.gz JANHXQMWTRPSPE-VMPITWQZSA-N 1 2 420.488 3.666 40 0 HHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@@H+]3Cc3ccncc3)nn2c1C ZINC000257226809 568783918 /nfs/dbraw/zinc/78/39/18/568783918.db2.gz FMGXSEIVKWFEGA-JOCHJYFZSA-N 1 2 420.561 3.537 40 0 HHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@H+]3Cc3ccncc3)nn2c1C ZINC000257226809 568783919 /nfs/dbraw/zinc/78/39/19/568783919.db2.gz FMGXSEIVKWFEGA-JOCHJYFZSA-N 1 2 420.561 3.537 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccccn1 ZINC000257226973 568784053 /nfs/dbraw/zinc/78/40/53/568784053.db2.gz FNBACVUHFOCASE-NRFANRHFSA-N 1 2 408.477 3.595 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccccn1 ZINC000257226973 568784056 /nfs/dbraw/zinc/78/40/56/568784056.db2.gz FNBACVUHFOCASE-NRFANRHFSA-N 1 2 408.477 3.595 40 0 HHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257292250 568802207 /nfs/dbraw/zinc/80/22/07/568802207.db2.gz QKQSVFLGHOIWFI-HXUWFJFHSA-N 1 2 412.563 3.822 40 0 HHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 ZINC000257292250 568802208 /nfs/dbraw/zinc/80/22/08/568802208.db2.gz QKQSVFLGHOIWFI-HXUWFJFHSA-N 1 2 412.563 3.822 40 0 HHABLO Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)nc(C)[nH+]1 ZINC000257304809 568805962 /nfs/dbraw/zinc/80/59/62/568805962.db2.gz SNFKNGZMBLSMCS-HXUWFJFHSA-N 1 2 413.909 3.669 40 0 HHABLO Nc1cc(-c2cncnc2[C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3)C2)cc[nH+]1 ZINC000257339776 568816016 /nfs/dbraw/zinc/81/60/16/568816016.db2.gz ZDCXJWJVXUTHTE-MRXNPFEDSA-N 1 2 423.904 3.559 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC000306123100 568886440 /nfs/dbraw/zinc/88/64/40/568886440.db2.gz AEINZCSFIVJCHE-IEBWSBKVSA-N 1 2 400.500 3.705 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000306123100 568886441 /nfs/dbraw/zinc/88/64/41/568886441.db2.gz AEINZCSFIVJCHE-IEBWSBKVSA-N 1 2 400.500 3.705 40 0 HHABLO COc1cccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126360 568889017 /nfs/dbraw/zinc/88/90/17/568889017.db2.gz DTKJXRQRAMPWGY-IFMALSPDSA-N 1 2 424.497 3.652 40 0 HHABLO COc1cccc(C[N@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126360 568889018 /nfs/dbraw/zinc/88/90/18/568889018.db2.gz DTKJXRQRAMPWGY-IFMALSPDSA-N 1 2 424.497 3.652 40 0 HHABLO c1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)cc1 ZINC000306126428 568889231 /nfs/dbraw/zinc/88/92/31/568889231.db2.gz DVJLAMFVXUGELH-QHCPKHFHSA-N 1 2 414.465 3.699 40 0 HHABLO c1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)cc1 ZINC000306126428 568889232 /nfs/dbraw/zinc/88/92/32/568889232.db2.gz DVJLAMFVXUGELH-QHCPKHFHSA-N 1 2 414.465 3.699 40 0 HHABLO Cc1ccccc1C(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306134291 568896207 /nfs/dbraw/zinc/89/62/07/568896207.db2.gz NHZYTYBOGGXODR-BWKNWUBXSA-N 1 2 420.557 3.641 40 0 HHABLO CC(C)n1cc(C[NH+]2CCN(c3nccn4c(-c5cccc(F)c5)cnc34)CC2)cn1 ZINC000306134615 568896508 /nfs/dbraw/zinc/89/65/08/568896508.db2.gz NTOHQEGRHYGIRR-UHFFFAOYSA-N 1 2 419.508 3.635 40 0 HHABLO Cc1nc(Cn2cc[nH+]c2[C@@H]2CN(C(=O)C3CCOCC3)Cc3ccccc32)cs1 ZINC000306142506 568904001 /nfs/dbraw/zinc/90/40/01/568904001.db2.gz XBBQAKNVQXFSEJ-OAQYLSRUSA-N 1 2 422.554 3.597 40 0 HHABLO COc1ccc(Cl)cc1NC(=O)Nc1c[nH+]c(N2CCCCC2)nc1N(C)C ZINC000224144378 569052793 /nfs/dbraw/zinc/05/27/93/569052793.db2.gz NSOCRIGLPQVQCQ-UHFFFAOYSA-N 1 2 404.902 3.839 40 0 HHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2ccc(-c3cc[nH]n3)cn2)C1 ZINC000019692435 569346026 /nfs/dbraw/zinc/34/60/26/569346026.db2.gz AZZZIKUYPCEQJB-HSZRJFAPSA-N 1 2 414.513 3.659 40 0 HHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@@H](c2ccc(-c3cc[nH]n3)cn2)C1 ZINC000019692435 569346027 /nfs/dbraw/zinc/34/60/27/569346027.db2.gz AZZZIKUYPCEQJB-HSZRJFAPSA-N 1 2 414.513 3.659 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000261363216 569413593 /nfs/dbraw/zinc/41/35/93/569413593.db2.gz QABHUOFFCIMDBH-LJQANCHMSA-O 1 2 403.491 3.611 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)c(OCC)c1 ZINC000261365677 569413740 /nfs/dbraw/zinc/41/37/40/569413740.db2.gz UONXELRCQBEWQU-IBGZPJMESA-O 1 2 411.507 3.716 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C(C)=Cc1ccccc1 ZINC000261365986 569413808 /nfs/dbraw/zinc/41/38/08/569413808.db2.gz WTDPDECOKBPREB-QZMUEMGWSA-O 1 2 405.503 3.827 40 0 HHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)[nH+]1 ZINC000329044239 571306279 /nfs/dbraw/zinc/30/62/79/571306279.db2.gz SVMGPOWZXKVNBU-INIZCTEOSA-N 1 2 409.303 4.428 40 0 HHABLO CC(C)(C)CC(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C ZINC000253395719 291247423 /nfs/dbraw/zinc/24/74/23/291247423.db2.gz CHBHREUMDBZQRM-SFHVURJKSA-N 1 2 405.970 3.523 40 0 biogenic,in-vitro HHABLO CC(C)(C)CC(=O)N1CC[N@H+]2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C ZINC000253395719 291247426 /nfs/dbraw/zinc/24/74/26/291247426.db2.gz CHBHREUMDBZQRM-SFHVURJKSA-N 1 2 405.970 3.523 40 0 biogenic,in-vitro HHABLO COc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c(OC)c1 ZINC000035312022 557687807 /nfs/dbraw/zinc/68/78/07/557687807.db2.gz UDZIKMSXFAYQSB-UHFFFAOYSA-N 1 2 408.502 3.707 40 0 HHABLO COc1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(C)ccc4[nH]3)CC2)c(OC)c1 ZINC000035312022 557687808 /nfs/dbraw/zinc/68/78/08/557687808.db2.gz UDZIKMSXFAYQSB-UHFFFAOYSA-N 1 2 408.502 3.707 40 0 HHABLO Cc1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019739263 558260373 /nfs/dbraw/zinc/26/03/73/558260373.db2.gz GHRAUYHBHVFDNH-UHFFFAOYSA-N 1 2 422.577 3.747 40 0 HHABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3cccc4ccccc43)C1=O)CC2 ZINC000022609252 558501156 /nfs/dbraw/zinc/50/11/56/558501156.db2.gz QTYIZAJKGJJVII-OAQYLSRUSA-N 1 2 416.477 3.547 40 0 HHABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3cccc4ccccc43)C1=O)CC2 ZINC000022609252 558501159 /nfs/dbraw/zinc/50/11/59/558501159.db2.gz QTYIZAJKGJJVII-OAQYLSRUSA-N 1 2 416.477 3.547 40 0 HHABLO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000015307101 558731405 /nfs/dbraw/zinc/73/14/05/558731405.db2.gz ARAMQYGJNWJYJR-GOSISDBHSA-N 1 2 422.287 3.587 40 0 HHABLO Cc1[nH+]c2cc(NC(=O)c3cnn4cc(CCO)cnc34)ccc2n1C1CCCCC1 ZINC000019286556 558860394 /nfs/dbraw/zinc/86/03/94/558860394.db2.gz CYYDLQFFFHQMCR-UHFFFAOYSA-N 1 2 418.501 3.680 40 0 HHABLO O[C@@H](c1nccs1)c1cccc(F)c1N1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019292771 558864581 /nfs/dbraw/zinc/86/45/81/558864581.db2.gz QCBHPZUWMMNJNQ-HXUWFJFHSA-N 1 2 419.472 3.964 40 0 HHABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019344327 558872726 /nfs/dbraw/zinc/87/27/26/558872726.db2.gz FXEBZTJVDFVCHY-ZDUSSCGKSA-N 1 2 421.448 3.827 40 0 HHABLO O=C(CCn1cc[nH+]c1-c1ccccc1)NCC1(c2ccccc2F)CCOCC1 ZINC000019374403 558881298 /nfs/dbraw/zinc/88/12/98/558881298.db2.gz IJPRJRMXTQAAGG-UHFFFAOYSA-N 1 2 407.489 3.944 40 0 HHABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000072337605 558937863 /nfs/dbraw/zinc/93/78/63/558937863.db2.gz NRYMRNBEHKXITF-ABSDTBQOSA-N 1 2 406.530 3.528 40 0 HHABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@H+]1C[C@H](O)COc1ccccc1 ZINC000072337605 558937867 /nfs/dbraw/zinc/93/78/67/558937867.db2.gz NRYMRNBEHKXITF-ABSDTBQOSA-N 1 2 406.530 3.528 40 0 HHABLO O[C@H](c1nccs1)c1ccccc1N1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000072340519 558939131 /nfs/dbraw/zinc/93/91/31/558939131.db2.gz QZQFTDQORQGQAK-FQEVSTJZSA-N 1 2 401.482 3.825 40 0 HHABLO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351277 558947716 /nfs/dbraw/zinc/94/77/16/558947716.db2.gz GHWCDLOFNXWDOH-QFIPXVFZSA-N 1 2 420.561 3.535 40 0 HHABLO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351277 558947719 /nfs/dbraw/zinc/94/77/19/558947719.db2.gz GHWCDLOFNXWDOH-QFIPXVFZSA-N 1 2 420.561 3.535 40 0 HHABLO Cc1c(-c2cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)c3ccccc3n2)cnn1C ZINC000019664313 558954829 /nfs/dbraw/zinc/95/48/29/558954829.db2.gz RTLZYEJFMLJOFC-JOCHJYFZSA-N 1 2 416.529 3.985 40 0 HHABLO Cc1c(-c2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)c3ccccc3n2)cnn1C ZINC000019664309 558954921 /nfs/dbraw/zinc/95/49/21/558954921.db2.gz RTLZYEJFMLJOFC-QFIPXVFZSA-N 1 2 416.529 3.985 40 0 HHABLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCCC1 ZINC000072374494 558962199 /nfs/dbraw/zinc/96/21/99/558962199.db2.gz IOOHUEWHNXJWMJ-OAQYLSRUSA-N 1 2 418.545 3.719 40 0 HHABLO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1)N1CCCCC1 ZINC000072374494 558962201 /nfs/dbraw/zinc/96/22/01/558962201.db2.gz IOOHUEWHNXJWMJ-OAQYLSRUSA-N 1 2 418.545 3.719 40 0 HHABLO Cc1cc(C)cc(C(=O)N2C[C@@]3(C[C@H]2c2cn(C)c[nH+]2)CCCN(CC2CC2)C3=O)c1 ZINC000585106478 559028847 /nfs/dbraw/zinc/02/88/47/559028847.db2.gz SLUHZSWSOGQCFK-DHLKQENFSA-N 1 2 420.557 3.643 40 0 HHABLO COc1cccc(C[NH2+][C@H](c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)C(C)C)c1 ZINC000100769453 559140146 /nfs/dbraw/zinc/14/01/46/559140146.db2.gz AVWCPXCNMSYCDU-QHCPKHFHSA-N 1 2 410.518 3.824 40 0 HHABLO O=C(NCC[C@H]1CCCCN1C(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000257343892 559285566 /nfs/dbraw/zinc/28/55/66/559285566.db2.gz ZUTZTGRMFONDBG-JOCHJYFZSA-N 1 2 416.525 3.746 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000888861 560542133 /nfs/dbraw/zinc/54/21/33/560542133.db2.gz CQSBGWQJGGPHDT-NRFANRHFSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000004160343 560601293 /nfs/dbraw/zinc/60/12/93/560601293.db2.gz SOSVRXDSZCUERM-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1C ZINC000014327977 560841336 /nfs/dbraw/zinc/84/13/36/560841336.db2.gz CBRBNHMIRHWDMK-UHFFFAOYSA-N 1 2 408.498 3.608 40 0 HHABLO CC(C)C[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057670696 568494924 /nfs/dbraw/zinc/49/49/24/568494924.db2.gz VPSCFTJBMUHSKH-QFIPXVFZSA-N 1 2 408.525 3.770 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@H](C)C2)nnc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225151661 568618209 /nfs/dbraw/zinc/61/82/09/568618209.db2.gz MDIBVYMKJJKNBR-FGYAAKKASA-N 1 2 412.626 3.964 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@H](C)C2)nnc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225151661 568618211 /nfs/dbraw/zinc/61/82/11/568618211.db2.gz MDIBVYMKJJKNBR-FGYAAKKASA-N 1 2 412.626 3.964 40 0 HHABLO [NH3+][C@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533991 568635398 /nfs/dbraw/zinc/63/53/98/568635398.db2.gz RVHPODFYZGDAOV-ZDUSSCGKSA-N 1 2 410.646 3.778 40 0 HHABLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000225610313 568656844 /nfs/dbraw/zinc/65/68/44/568656844.db2.gz VVRWKVKHMPTRJH-IBGZPJMESA-N 1 2 424.541 3.959 40 0 HHABLO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@H](C)C1 ZINC000225662952 568661356 /nfs/dbraw/zinc/66/13/56/568661356.db2.gz UBCYTJPAYRFDHR-WMZHIEFXSA-N 1 2 404.551 3.712 40 0 HHABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000247315758 568744539 /nfs/dbraw/zinc/74/45/39/568744539.db2.gz JWHKJKBPIQVHSC-LADGPHEKSA-N 1 2 404.535 3.859 40 0 HHABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000247315758 568744540 /nfs/dbraw/zinc/74/45/40/568744540.db2.gz JWHKJKBPIQVHSC-LADGPHEKSA-N 1 2 404.535 3.859 40 0 HHABLO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257200051 568776102 /nfs/dbraw/zinc/77/61/02/568776102.db2.gz ABUZOMGTZSNTFO-FPOVZHCZSA-N 1 2 406.885 3.630 40 0 HHABLO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257200051 568776104 /nfs/dbraw/zinc/77/61/04/568776104.db2.gz ABUZOMGTZSNTFO-FPOVZHCZSA-N 1 2 406.885 3.630 40 0 HHABLO COc1ccc(C2(C(=O)N3CCC[C@@](C)(c4cc(N)nc(C)[nH+]4)C3)CCCC2)cc1 ZINC000257219197 568781638 /nfs/dbraw/zinc/78/16/38/568781638.db2.gz DFYZMHRSFUPHEQ-HSZRJFAPSA-N 1 2 408.546 3.768 40 0 HHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(Nc4cnccn4)n3)C1)CCC2 ZINC000257236071 568786422 /nfs/dbraw/zinc/78/64/22/568786422.db2.gz HAQUKVKSNLVMJO-QFIPXVFZSA-N 1 2 417.513 3.686 40 0 HHABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(Nc4cnccn4)n3)C1)CCC2 ZINC000257236071 568786423 /nfs/dbraw/zinc/78/64/23/568786423.db2.gz HAQUKVKSNLVMJO-QFIPXVFZSA-N 1 2 417.513 3.686 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@H](OC)[C@]3(CCCO3)C1)oc1ccccc12 ZINC000257344943 568817618 /nfs/dbraw/zinc/81/76/18/568817618.db2.gz ZZIBWMVOTIVLOA-UPVQGACJSA-N 1 2 424.497 3.803 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@H](OC)[C@]3(CCCO3)C1)oc1ccccc12 ZINC000257344943 568817620 /nfs/dbraw/zinc/81/76/20/568817620.db2.gz ZZIBWMVOTIVLOA-UPVQGACJSA-N 1 2 424.497 3.803 40 0 HHABLO Cc1nc(Cn2cc[nH+]c2[C@@H]2CN(C(=O)N3CCCC3)Cc3ccccc32)cs1 ZINC000306126064 568888864 /nfs/dbraw/zinc/88/88/64/568888864.db2.gz DLEGKJHZLDYJHQ-HXUWFJFHSA-N 1 2 407.543 3.860 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cc1 ZINC000306140851 568902621 /nfs/dbraw/zinc/90/26/21/568902621.db2.gz VFJKGQHOKUNLGU-GGAORHGYSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccnc4)ccc2S3(=O)=O)cc1 ZINC000306140851 568902622 /nfs/dbraw/zinc/90/26/22/568902622.db2.gz VFJKGQHOKUNLGU-GGAORHGYSA-N 1 2 406.507 3.513 40 0 HHABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)c(Br)c1 ZINC000328959315 568969751 /nfs/dbraw/zinc/96/97/51/568969751.db2.gz ASWRJSSCPDFQOV-CQSZACIVSA-N 1 2 413.319 3.595 40 0 HHABLO CC[C@@H](C)Nc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328974302 568970600 /nfs/dbraw/zinc/97/06/00/568970600.db2.gz FFKHYPFKCYMHFK-CJNGLKHVSA-N 1 2 410.440 3.687 40 0 HHABLO CC[N@@H+](CCCNC(=O)c1cccc(I)c1)c1ccccc1 ZINC000224967977 569284620 /nfs/dbraw/zinc/28/46/20/569284620.db2.gz QTAMSXPWJHUECK-UHFFFAOYSA-N 1 2 408.283 3.938 40 0 HHABLO CC[N@H+](CCCNC(=O)c1cccc(I)c1)c1ccccc1 ZINC000224967977 569284619 /nfs/dbraw/zinc/28/46/19/569284619.db2.gz QTAMSXPWJHUECK-UHFFFAOYSA-N 1 2 408.283 3.938 40 0 HHABLO Cc1cc(C)n2ncc(C[N@@H+]3CCO[C@@H](c4nccnc4-c4cccc(F)c4)C3)c2n1 ZINC000019693266 569346374 /nfs/dbraw/zinc/34/63/74/569346374.db2.gz LEUFTIWVIJPZMB-HXUWFJFHSA-N 1 2 418.476 3.516 40 0 HHABLO Cc1cc(C)n2ncc(C[N@H+]3CCO[C@@H](c4nccnc4-c4cccc(F)c4)C3)c2n1 ZINC000019693266 569346375 /nfs/dbraw/zinc/34/63/75/569346375.db2.gz LEUFTIWVIJPZMB-HXUWFJFHSA-N 1 2 418.476 3.516 40 0 HHABLO COC(=O)c1c(NC(=O)CCSc2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000020242036 569349613 /nfs/dbraw/zinc/34/96/13/569349613.db2.gz CLCMNHFSGUCZIS-UHFFFAOYSA-N 1 2 404.557 3.952 40 0 HHABLO COC(=O)c1c(NC(=O)CCSc2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000020242036 569349614 /nfs/dbraw/zinc/34/96/14/569349614.db2.gz CLCMNHFSGUCZIS-UHFFFAOYSA-N 1 2 404.557 3.952 40 0 HHABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccccc3F)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508754 527314456 /nfs/dbraw/zinc/31/44/56/527314456.db2.gz WCJUPGQZVWFSSL-ROUUACIJSA-N 1 2 424.950 3.750 40 0 HHABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3cccc(F)c3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508608 527314983 /nfs/dbraw/zinc/31/49/83/527314983.db2.gz BYIDXOSCICTHRH-ZWKOTPCHSA-N 1 2 424.950 3.750 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000910516 557116336 /nfs/dbraw/zinc/11/63/36/557116336.db2.gz DSIDZPBTNSMEJV-FQEVSTJZSA-N 1 2 408.550 3.852 40 0 HHABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)Nc1nccs1 ZINC000001346536 557256892 /nfs/dbraw/zinc/25/68/92/557256892.db2.gz LPLQTMDEQBCYIL-UHFFFAOYSA-N 1 2 402.892 3.656 40 0 HHABLO COc1cccc([C@@H](NC(=O)c2nccc3ccccc32)c2[nH+]ccn2C)c1OC ZINC000012114977 558327550 /nfs/dbraw/zinc/32/75/50/558327550.db2.gz XOLREMXKPABMSA-LJQANCHMSA-N 1 2 402.454 3.505 40 0 HHABLO COc1ccccc1Cc1nnc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000036752424 558802884 /nfs/dbraw/zinc/80/28/84/558802884.db2.gz KCKPTTUPYFIEBU-FQEVSTJZSA-N 1 2 408.527 3.913 40 0 HHABLO Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC1)O2 ZINC000019218291 558851007 /nfs/dbraw/zinc/85/10/07/558851007.db2.gz NPKMLXDXZBARDT-UHFFFAOYSA-N 1 2 415.493 3.880 40 0 HHABLO O[C@@H](c1nccs1)c1cccc(F)c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019293869 558865447 /nfs/dbraw/zinc/86/54/47/558865447.db2.gz AFQAWMXUOUCFAJ-HXUWFJFHSA-N 1 2 401.482 3.825 40 0 HHABLO CCc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000019523277 558904437 /nfs/dbraw/zinc/90/44/37/558904437.db2.gz FFONQSSIRKMFCF-GOSISDBHSA-N 1 2 406.530 3.706 40 0 HHABLO Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[N@@H+](C)Cc2ccccn2)sc1C ZINC000019559770 558920871 /nfs/dbraw/zinc/92/08/71/558920871.db2.gz ZALIJQFJOCKCMR-GOSISDBHSA-N 1 2 400.573 3.748 40 0 HHABLO Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[N@H+](C)Cc2ccccn2)sc1C ZINC000019559770 558920874 /nfs/dbraw/zinc/92/08/74/558920874.db2.gz ZALIJQFJOCKCMR-GOSISDBHSA-N 1 2 400.573 3.748 40 0 HHABLO Cc1cc(C)n(-c2cc(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)ccc2F)n1 ZINC000019574656 558932255 /nfs/dbraw/zinc/93/22/55/558932255.db2.gz QIVXYRGKPDONJQ-UHFFFAOYSA-N 1 2 408.477 3.713 40 0 HHABLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ncoc3-c3ccccc3F)CC2)cc1 ZINC000072346365 558943251 /nfs/dbraw/zinc/94/32/51/558943251.db2.gz JPILRLUMCURYBB-UHFFFAOYSA-N 1 2 409.461 3.837 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370241 558956524 /nfs/dbraw/zinc/95/65/24/558956524.db2.gz KAQXZBABXRRVTQ-SFHVURJKSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370241 558956526 /nfs/dbraw/zinc/95/65/26/558956526.db2.gz KAQXZBABXRRVTQ-SFHVURJKSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000072370246 558956555 /nfs/dbraw/zinc/95/65/55/558956555.db2.gz VLEPWFWISQJTOV-GOSISDBHSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000072370246 558956557 /nfs/dbraw/zinc/95/65/57/558956557.db2.gz VLEPWFWISQJTOV-GOSISDBHSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370236 558956648 /nfs/dbraw/zinc/95/66/48/558956648.db2.gz YLJKGFSJUBZOAU-QGZVFWFLSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370236 558956650 /nfs/dbraw/zinc/95/66/50/558956650.db2.gz YLJKGFSJUBZOAU-QGZVFWFLSA-N 1 2 404.495 3.517 40 0 HHABLO Nc1ccc(-c2ccc([C@H]3CCCN(C(=O)COc4ccc(F)cc4)C3)nc2)c[nH+]1 ZINC000019689134 558958557 /nfs/dbraw/zinc/95/85/57/558958557.db2.gz IPLVMJNQFDDEAF-SFHVURJKSA-N 1 2 406.461 3.650 40 0 HHABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000019697627 558965344 /nfs/dbraw/zinc/96/53/44/558965344.db2.gz ZPHGXRBCFBAGTP-SFHVURJKSA-N 1 2 412.559 3.968 40 0 HHABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000019697627 558965346 /nfs/dbraw/zinc/96/53/46/558965346.db2.gz ZPHGXRBCFBAGTP-SFHVURJKSA-N 1 2 412.559 3.968 40 0 HHABLO Cc1cccc(Nc2cncc([C@@H]3CCC[N@H+]3CC(=O)N(C)C3CCCCC3)n2)n1 ZINC000072376255 558965376 /nfs/dbraw/zinc/96/53/76/558965376.db2.gz NIVQZCWADMYKPW-FQEVSTJZSA-N 1 2 408.550 3.852 40 0 HHABLO Cc1cccc(Nc2cncc([C@@H]3CCC[N@@H+]3CC(=O)N(C)C3CCCCC3)n2)n1 ZINC000072376255 558965379 /nfs/dbraw/zinc/96/53/79/558965379.db2.gz NIVQZCWADMYKPW-FQEVSTJZSA-N 1 2 408.550 3.852 40 0 HHABLO Cc1cc(C(F)F)n2ncc(C(=O)N3CC[NH+](Cc4ccccc4Cl)CC3)c2n1 ZINC000019714892 558975204 /nfs/dbraw/zinc/97/52/04/558975204.db2.gz YXBIEAZXLHPUNH-UHFFFAOYSA-N 1 2 419.863 3.587 40 0 HHABLO C[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096036971 559090754 /nfs/dbraw/zinc/09/07/54/559090754.db2.gz FUDPSZSHYVYBRT-UHFFFAOYSA-N 1 2 410.518 3.828 40 0 HHABLO C[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096036971 559090756 /nfs/dbraw/zinc/09/07/56/559090756.db2.gz FUDPSZSHYVYBRT-UHFFFAOYSA-N 1 2 410.518 3.828 40 0 HHABLO O=C(c1ccc2ncccc2c1)N1CCC[C@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096075752 559094618 /nfs/dbraw/zinc/09/46/18/559094618.db2.gz WIGGPWLHYQELEY-KOSHJBKYSA-N 1 2 402.498 3.753 40 0 HHABLO COc1ccc(C[NH2+][C@@H](c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)C(C)C)cc1 ZINC000100769452 559140128 /nfs/dbraw/zinc/14/01/28/559140128.db2.gz WZYLYOBTJNKEPC-HSZRJFAPSA-N 1 2 410.518 3.824 40 0 HHABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3cccc4ccccc43)C1=O)CC2 ZINC000102332098 559150055 /nfs/dbraw/zinc/15/00/55/559150055.db2.gz QTYIZAJKGJJVII-NRFANRHFSA-N 1 2 416.477 3.547 40 0 HHABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3cccc4ccccc43)C1=O)CC2 ZINC000102332098 559150057 /nfs/dbraw/zinc/15/00/57/559150057.db2.gz QTYIZAJKGJJVII-NRFANRHFSA-N 1 2 416.477 3.547 40 0 HHABLO CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000118917667 559205748 /nfs/dbraw/zinc/20/57/48/559205748.db2.gz ZFVBYRDTMKLTPA-CJYRMAGRSA-N 1 2 415.574 3.639 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCCCC1 ZINC000000910075 560546007 /nfs/dbraw/zinc/54/60/07/560546007.db2.gz OWQKHUAHFXVQEX-HXUWFJFHSA-N 1 2 408.550 3.852 40 0 HHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502041 560873827 /nfs/dbraw/zinc/87/38/27/560873827.db2.gz QXLJMIWCZRGXKU-PDFGSZSQSA-N 1 2 420.509 3.547 40 0 HHABLO CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216456096 568465547 /nfs/dbraw/zinc/46/55/47/568465547.db2.gz XEARULMVVJOARF-HXUWFJFHSA-N 1 2 410.514 3.534 40 0 HHABLO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000219247002 568488544 /nfs/dbraw/zinc/48/85/44/568488544.db2.gz KRHHIWXFBKXHEK-NRFANRHFSA-N 1 2 410.514 3.560 40 0 HHABLO CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670563 568494666 /nfs/dbraw/zinc/49/46/66/568494666.db2.gz LNKGULPWRFXGNL-HXUWFJFHSA-N 1 2 410.953 3.957 40 0 HHABLO COc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](c4ccc(C)cc4)CC3)n2)cc1 ZINC000219866660 568499539 /nfs/dbraw/zinc/49/95/39/568499539.db2.gz NNSHLUMKFJHNME-UHFFFAOYSA-N 1 2 420.513 3.929 40 0 HHABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1cccnc1 ZINC000027825120 568577212 /nfs/dbraw/zinc/57/72/12/568577212.db2.gz LACBXCAPYCARJC-FQEVSTJZSA-O 1 2 400.487 3.796 40 0 HHABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1OCC ZINC000095534506 568635595 /nfs/dbraw/zinc/63/55/95/568635595.db2.gz YAHDBQMIWZRYMG-IBGZPJMESA-N 1 2 402.882 3.883 40 0 HHABLO O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225725649 568668383 /nfs/dbraw/zinc/66/83/83/568668383.db2.gz JPWPOOSBEIBQDO-QPJJXVBHSA-N 1 2 421.928 3.513 40 0 HHABLO O=C(COc1cccc(C(F)(F)F)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225812965 568676633 /nfs/dbraw/zinc/67/66/33/568676633.db2.gz MVDNTKPFMVMHIQ-VMPITWQZSA-N 1 2 404.432 3.942 40 0 HHABLO O=C(c1cc2cccc(Cl)c2oc1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000226040932 568691691 /nfs/dbraw/zinc/69/16/91/568691691.db2.gz FXZBCQKAGQRVAE-VMPITWQZSA-N 1 2 408.885 3.918 40 0 HHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257277752 568797815 /nfs/dbraw/zinc/79/78/15/568797815.db2.gz NZFJLBGWDZRPPG-QHCPKHFHSA-N 1 2 414.513 3.659 40 0 HHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257277752 568797817 /nfs/dbraw/zinc/79/78/17/568797817.db2.gz NZFJLBGWDZRPPG-QHCPKHFHSA-N 1 2 414.513 3.659 40 0 HHABLO Cc1nc(Nc2cc(C)nc([C@@H]3C[N@H+](Cc4cnn(C)c4C)CCO3)c2)sc1C ZINC000257290872 568801816 /nfs/dbraw/zinc/80/18/16/568801816.db2.gz QERFFQPLZQXIAN-FQEVSTJZSA-N 1 2 412.563 3.822 40 0 HHABLO Cc1nc(Nc2cc(C)nc([C@@H]3C[N@@H+](Cc4cnn(C)c4C)CCO3)c2)sc1C ZINC000257290872 568801817 /nfs/dbraw/zinc/80/18/17/568801817.db2.gz QERFFQPLZQXIAN-FQEVSTJZSA-N 1 2 412.563 3.822 40 0 HHABLO Cn1cc(-c2cc[nH+]c(NCc3ccc(F)cc3)c2)c([C@@H]2CCN(C(=O)C3CC3)C2)n1 ZINC000257303504 568805521 /nfs/dbraw/zinc/80/55/21/568805521.db2.gz SHNIUIZXVGAVES-LJQANCHMSA-N 1 2 419.504 3.959 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccccn1 ZINC000257304462 568805967 /nfs/dbraw/zinc/80/59/67/568805967.db2.gz SLTYMNJQQYEGDY-OAQYLSRUSA-N 1 2 408.477 3.595 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccccn1 ZINC000257304462 568805968 /nfs/dbraw/zinc/80/59/68/568805968.db2.gz SLTYMNJQQYEGDY-OAQYLSRUSA-N 1 2 408.477 3.595 40 0 HHABLO Cc1cc(Nc2ccccn2)nc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)n1 ZINC000257307435 568806706 /nfs/dbraw/zinc/80/67/06/568806706.db2.gz SYPVIWJBUWTHME-UHFFFAOYSA-N 1 2 420.492 3.881 40 0 HHABLO C[N@H+](CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccccn1 ZINC000257323813 568811352 /nfs/dbraw/zinc/81/13/52/568811352.db2.gz WLXPSTMGQGYGMW-QFIPXVFZSA-N 1 2 422.504 3.985 40 0 HHABLO C[N@@H+](CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccccn1 ZINC000257323813 568811354 /nfs/dbraw/zinc/81/13/54/568811354.db2.gz WLXPSTMGQGYGMW-QFIPXVFZSA-N 1 2 422.504 3.985 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)c1 ZINC000257324840 568811752 /nfs/dbraw/zinc/81/17/52/568811752.db2.gz WQKJHAFHIWOHTK-VWNXMTODSA-N 1 2 412.505 3.913 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)c1 ZINC000257324840 568811753 /nfs/dbraw/zinc/81/17/53/568811753.db2.gz WQKJHAFHIWOHTK-VWNXMTODSA-N 1 2 412.505 3.913 40 0 HHABLO CC(C)c1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257326510 568812271 /nfs/dbraw/zinc/81/22/71/568812271.db2.gz WXLGBAZJEFISKH-GMAHTHKFSA-N 1 2 400.494 3.792 40 0 HHABLO CC(C)c1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257326510 568812274 /nfs/dbraw/zinc/81/22/74/568812274.db2.gz WXLGBAZJEFISKH-GMAHTHKFSA-N 1 2 400.494 3.792 40 0 HHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccn1 ZINC000261364190 568819492 /nfs/dbraw/zinc/81/94/92/568819492.db2.gz JWCNANXCRIVUDA-OAQYLSRUSA-O 1 2 422.534 3.727 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(OC)c(O)c1 ZINC000261364428 568819539 /nfs/dbraw/zinc/81/95/39/568819539.db2.gz LKVDSYPICOFCRF-IBGZPJMESA-O 1 2 411.507 3.716 40 0 HHABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306144800 568906381 /nfs/dbraw/zinc/90/63/81/568906381.db2.gz ZOXSKOASIWIFKY-HSZRJFAPSA-N 1 2 415.497 3.682 40 0 HHABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306144800 568906384 /nfs/dbraw/zinc/90/63/84/568906384.db2.gz ZOXSKOASIWIFKY-HSZRJFAPSA-N 1 2 415.497 3.682 40 0 HHABLO CC[C@@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000328980371 568971052 /nfs/dbraw/zinc/97/10/52/568971052.db2.gz GLSVJIWSOYXHCE-CQSZACIVSA-N 1 2 412.335 3.967 40 0 HHABLO FC(F)(F)Oc1cccc(-c2cc(NC[C@@H]3CCCO3)nc(NC3CCCC3)[nH+]2)c1 ZINC000329008472 568972408 /nfs/dbraw/zinc/97/24/08/568972408.db2.gz LQTOGGRISQBTHT-KRWDZBQOSA-N 1 2 422.451 3.831 40 0 HHABLO Cc1cc(C)n2ncc(C[N@@H+]3CCO[C@H](c4nccnc4-c4cccc(F)c4)C3)c2n1 ZINC000019693267 569346333 /nfs/dbraw/zinc/34/63/33/569346333.db2.gz LEUFTIWVIJPZMB-FQEVSTJZSA-N 1 2 418.476 3.516 40 0 HHABLO Cc1cc(C)n2ncc(C[N@H+]3CCO[C@H](c4nccnc4-c4cccc(F)c4)C3)c2n1 ZINC000019693267 569346334 /nfs/dbraw/zinc/34/63/34/569346334.db2.gz LEUFTIWVIJPZMB-FQEVSTJZSA-N 1 2 418.476 3.516 40 0 HHABLO Cc1nc([C@@]2(O)CCC[N@H+](Cc3ncc[nH]3)CC2)sc1CCOc1ccccc1 ZINC000019705230 569347909 /nfs/dbraw/zinc/34/79/09/569347909.db2.gz QMAPRXBGPFWXBG-JOCHJYFZSA-N 1 2 412.559 3.670 40 0 HHABLO Cc1nc([C@@]2(O)CCC[N@@H+](Cc3ncc[nH]3)CC2)sc1CCOc1ccccc1 ZINC000019705230 569347910 /nfs/dbraw/zinc/34/79/10/569347910.db2.gz QMAPRXBGPFWXBG-JOCHJYFZSA-N 1 2 412.559 3.670 40 0 HHABLO C[NH+](C)CCNc1nc(NNc2ccc(Cl)cc2Cl)cc(-c2ccccn2)n1 ZINC000328958540 571304616 /nfs/dbraw/zinc/30/46/16/571304616.db2.gz APWWWICBFSCPGC-UHFFFAOYSA-N 1 2 418.332 4.258 40 0 HHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000329037033 571306058 /nfs/dbraw/zinc/30/60/58/571306058.db2.gz RLOHFXKQSPAPRC-MRXNPFEDSA-N 1 2 409.303 4.428 40 0 HHABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc(OC)c1 ZINC000328986939 571308540 /nfs/dbraw/zinc/30/85/40/571308540.db2.gz HZJFDYSBTLIELG-NRFANRHFSA-N 1 2 408.502 4.333 40 0 HHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000329024910 571309301 /nfs/dbraw/zinc/30/93/01/571309301.db2.gz PDJGPICMBMWQEM-INIZCTEOSA-N 1 2 410.440 4.554 40 0 HHABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675904 291258924 /nfs/dbraw/zinc/25/89/24/291258924.db2.gz JKHCRMRHUSIMBJ-KRWDZBQOSA-N 1 2 421.848 3.840 40 0 biogenic,in-vitro HHABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675904 291258927 /nfs/dbraw/zinc/25/89/27/291258927.db2.gz JKHCRMRHUSIMBJ-KRWDZBQOSA-N 1 2 421.848 3.840 40 0 biogenic,in-vitro HHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000072350664 519878683 /nfs/dbraw/zinc/87/86/83/519878683.db2.gz VQCVHQHVLCKDKO-SFHVURJKSA-N 1 2 407.493 3.874 40 0 HHABLO Cc1ccccc1CSC1=[NH+][C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 ZINC000032508740 525181756 /nfs/dbraw/zinc/18/17/56/525181756.db2.gz LPQQPGAMWKHYPU-RBUKOAKNSA-N 1 2 420.987 3.919 40 0 HHABLO O=C(COc1ccc(Cl)cc1Br)NCc1ccccc1-n1cc[nH+]c1 ZINC000044849589 526954520 /nfs/dbraw/zinc/95/45/20/526954520.db2.gz YLKJCHLIWKPZPD-UHFFFAOYSA-N 1 2 420.694 3.983 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000907674 557115617 /nfs/dbraw/zinc/11/56/17/557115617.db2.gz XZWBNNLMBYFMIP-HXUWFJFHSA-N 1 2 408.550 3.789 40 0 HHABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1C ZINC000035851494 557644629 /nfs/dbraw/zinc/64/46/29/557644629.db2.gz PNWRSFZTCKAQCO-NCYKPQTJSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1C ZINC000035851494 557644631 /nfs/dbraw/zinc/64/46/31/557644631.db2.gz PNWRSFZTCKAQCO-NCYKPQTJSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)[N@H+]4CCC[C@H]4[C@H]3C2=O)cc1C ZINC000035851493 557644661 /nfs/dbraw/zinc/64/46/61/557644661.db2.gz PNWRSFZTCKAQCO-BQJUDKOJSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)[N@@H+]4CCC[C@H]4[C@H]3C2=O)cc1C ZINC000035851493 557644662 /nfs/dbraw/zinc/64/46/62/557644662.db2.gz PNWRSFZTCKAQCO-BQJUDKOJSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc2c(cc(C(=O)Nc3cc(C)ccc3OCC[NH+]3CCOCC3)n2C)c1 ZINC000035316900 557691617 /nfs/dbraw/zinc/69/16/17/557691617.db2.gz ALZWZKQLWFWHAC-UHFFFAOYSA-N 1 2 407.514 3.758 40 0 HHABLO COc1ccc(S(=O)(=O)N2CCC(c3[nH+]c(C)n4c(C)csc34)CC2)cc1 ZINC000012087558 558322308 /nfs/dbraw/zinc/32/23/08/558322308.db2.gz HXFBQPJWZOYMEG-UHFFFAOYSA-N 1 2 405.545 3.590 40 0 HHABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)C(C)C)C3)cc1OC ZINC000012116005 558328088 /nfs/dbraw/zinc/32/80/88/558328088.db2.gz HHTVDJJAPFMIMD-UHFFFAOYSA-N 1 2 400.523 3.776 40 0 HHABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@H+](CC(=O)NC(C)(C)C)C3)c(=O)c2c1C ZINC000012184140 558344090 /nfs/dbraw/zinc/34/40/90/558344090.db2.gz CSSPLAPNXYOULM-MRXNPFEDSA-N 1 2 418.607 3.750 40 0 HHABLO Cc1sc2nc(C(C)C)n([C@@H]3CCC[N@@H+](CC(=O)NC(C)(C)C)C3)c(=O)c2c1C ZINC000012184140 558344092 /nfs/dbraw/zinc/34/40/92/558344092.db2.gz CSSPLAPNXYOULM-MRXNPFEDSA-N 1 2 418.607 3.750 40 0 HHABLO CCOc1cc(C[N@@H+]2CC[C@H](c3cc4nc(C)c(CC)c(=O)n4[nH]3)C2)ccc1OC ZINC000012276382 558364239 /nfs/dbraw/zinc/36/42/39/558364239.db2.gz SWZFHOMWXQLCPW-KRWDZBQOSA-N 1 2 410.518 3.703 40 0 HHABLO CCOc1cc(C[N@H+]2CC[C@H](c3cc4nc(C)c(CC)c(=O)n4[nH]3)C2)ccc1OC ZINC000012276382 558364240 /nfs/dbraw/zinc/36/42/40/558364240.db2.gz SWZFHOMWXQLCPW-KRWDZBQOSA-N 1 2 410.518 3.703 40 0 HHABLO CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020452407 558366580 /nfs/dbraw/zinc/36/65/80/558366580.db2.gz IUGJVMUXXSDCAK-FQEVSTJZSA-N 1 2 410.514 3.534 40 0 HHABLO Cc1cc(N2CCN(C(=O)CC34C[C@H]5C[C@H](CC(O)(C5)C3)C4)CC2)[nH+]c2ccccc12 ZINC000019118943 558842567 /nfs/dbraw/zinc/84/25/67/558842567.db2.gz DJYZSEZRWFOBRM-ADXLDGDMSA-N 1 2 419.569 3.913 40 0 HHABLO FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@H]3CC[NH+]3CCOCC3)n2)cc1 ZINC000019336967 558870441 /nfs/dbraw/zinc/87/04/41/558870441.db2.gz HVUSYOZBKLKNTM-SFHVURJKSA-N 1 2 424.467 3.832 40 0 HHABLO COc1cccc(OC)c1C[N@@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019567083 558926510 /nfs/dbraw/zinc/92/65/10/558926510.db2.gz UVTOPXYRIBKDFQ-IBGZPJMESA-N 1 2 406.486 3.989 40 0 HHABLO COc1cccc(OC)c1C[N@H+]1CCCC[C@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019567083 558926512 /nfs/dbraw/zinc/92/65/12/558926512.db2.gz UVTOPXYRIBKDFQ-IBGZPJMESA-N 1 2 406.486 3.989 40 0 HHABLO COCCC(=O)N1CCC[C@@H](c2cc(Oc3ccc(NC(C)=O)cc3)cc(C)[nH+]2)C1 ZINC000019570134 558928998 /nfs/dbraw/zinc/92/89/98/558928998.db2.gz TTYACBQBDHFFOK-GOSISDBHSA-N 1 2 411.502 3.883 40 0 HHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)c2)cc1 ZINC000019570236 558929200 /nfs/dbraw/zinc/92/92/00/558929200.db2.gz VKRJNNJAVUETFL-KRWDZBQOSA-N 1 2 419.485 3.884 40 0 HHABLO COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000019581520 558937147 /nfs/dbraw/zinc/93/71/47/558937147.db2.gz SOYWDOWPVDQDAR-FGZHOGPDSA-N 1 2 424.932 3.849 40 0 HHABLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347829 558945026 /nfs/dbraw/zinc/94/50/26/558945026.db2.gz ZJIZXEQZVJTJIK-PVAVHDDUSA-N 1 2 405.926 3.580 40 0 HHABLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347829 558945029 /nfs/dbraw/zinc/94/50/29/558945029.db2.gz ZJIZXEQZVJTJIK-PVAVHDDUSA-N 1 2 405.926 3.580 40 0 HHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000072350598 558947429 /nfs/dbraw/zinc/94/74/29/558947429.db2.gz CGAHWMYDZOTLTH-SFHVURJKSA-N 1 2 405.502 3.571 40 0 HHABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000072353898 558951049 /nfs/dbraw/zinc/95/10/49/558951049.db2.gz JUNYEWJGNWIRNM-FQEVSTJZSA-N 1 2 419.566 3.886 40 0 HHABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Cc3ccccc3)cc(C)[nH+]2)C1 ZINC000072353889 558951155 /nfs/dbraw/zinc/95/11/55/558951155.db2.gz BWSQDGRLMWEKBC-OAQYLSRUSA-N 1 2 401.576 3.747 40 0 HHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000019692094 558961742 /nfs/dbraw/zinc/96/17/42/558961742.db2.gz YBLZOCBWMIBGTL-UHFFFAOYSA-N 1 2 420.488 3.958 40 0 HHABLO Cc1cc(NC(=O)C[NH+]2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)no1 ZINC000072374219 558961757 /nfs/dbraw/zinc/96/17/57/558961757.db2.gz GNHDWHKPWYAMNJ-UHFFFAOYSA-N 1 2 406.490 3.643 40 0 HHABLO CCn1ccnc1C[NH+]1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698469 558965980 /nfs/dbraw/zinc/96/59/80/558965980.db2.gz QVYQDHCVOPXKEM-JOCHJYFZSA-N 1 2 410.537 3.859 40 0 HHABLO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377021 558966338 /nfs/dbraw/zinc/96/63/38/558966338.db2.gz ASGREHVLVIYINH-GOSISDBHSA-N 1 2 422.920 3.940 40 0 HHABLO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccn2)n1 ZINC000072377021 558966339 /nfs/dbraw/zinc/96/63/39/558966339.db2.gz ASGREHVLVIYINH-GOSISDBHSA-N 1 2 422.920 3.940 40 0 HHABLO O=C(C[NH+]1CCC(Cc2cc(Nc3ccccn3)ncn2)CC1)Nc1ccccc1F ZINC000072383423 558969142 /nfs/dbraw/zinc/96/91/42/558969142.db2.gz RZNFYELABDVYBO-UHFFFAOYSA-N 1 2 420.492 3.648 40 0 HHABLO O=C(C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053093 559092884 /nfs/dbraw/zinc/09/28/84/559092884.db2.gz MSAADBTYQPSESO-GOSISDBHSA-N 1 2 411.571 3.960 40 0 HHABLO Cc1cccc(Nc2cc(CC3CCN(C(=O)C=Cc4c[nH]c[nH+]4)CC3)ccn2)n1 ZINC000585291578 559123848 /nfs/dbraw/zinc/12/38/48/559123848.db2.gz RXKPKVIHHPHJAM-AATRIKPKSA-N 1 2 402.502 3.746 40 0 HHABLO Cc1cccc(Nc2cc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)n1 ZINC000585291633 559123974 /nfs/dbraw/zinc/12/39/74/559123974.db2.gz SSNWKONKDAWOES-JBVUFVISSA-N 1 2 403.490 3.722 40 0 HHABLO Cc1csc(Nc2cc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)n1 ZINC000585291888 559123995 /nfs/dbraw/zinc/12/39/95/559123995.db2.gz VARIIFKOTMUFGU-DKRLNXSXSA-N 1 2 409.519 3.784 40 0 HHABLO COc1cccc(C[NH2+][C@@H](c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)C(C)C)c1 ZINC000100769455 559140161 /nfs/dbraw/zinc/14/01/61/559140161.db2.gz AVWCPXCNMSYCDU-HSZRJFAPSA-N 1 2 410.518 3.824 40 0 HHABLO COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3[nH]c4ccc(OC)cc4[nH+]3)C2)cc1 ZINC000514289347 560033005 /nfs/dbraw/zinc/03/30/05/560033005.db2.gz QWMDPPRYYFGIIA-ROUUACIJSA-N 1 2 423.513 3.736 40 0 biogenic,in-vitro HHABLO COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3[nH]c4ccc(OC)cc4[nH+]3)C2)cc1 ZINC000514289347 560033006 /nfs/dbraw/zinc/03/30/06/560033006.db2.gz QWMDPPRYYFGIIA-ROUUACIJSA-N 1 2 423.513 3.736 40 0 biogenic,in-vitro HHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000000891691 560543011 /nfs/dbraw/zinc/54/30/11/560543011.db2.gz HUMFQFKRVJPQJP-OAQYLSRUSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c12 ZINC000000889216 560542285 /nfs/dbraw/zinc/54/22/85/560542285.db2.gz CDSHCQQMWDDXMB-NRFANRHFSA-N 1 2 406.534 3.759 40 0 HHABLO C[C@H]1Cc2ccccc2N1C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000929827 560557881 /nfs/dbraw/zinc/55/78/81/560557881.db2.gz VFNXVMPQWVDXAE-HNNXBMFYSA-N 1 2 401.495 3.885 40 0 HHABLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)c(C)c1 ZINC000004908737 560617973 /nfs/dbraw/zinc/61/79/73/560617973.db2.gz FETMVVJOTPWQNK-UHFFFAOYSA-N 1 2 400.567 3.647 40 0 HHABLO c1ccc(Cc2cc3cc4c(cc3nc2SCC[NH+]2CCOCC2)OCO4)cc1 ZINC000020029139 560880273 /nfs/dbraw/zinc/88/02/73/560880273.db2.gz NRIOZVUNZISVRQ-UHFFFAOYSA-N 1 2 408.523 3.979 40 0 HHABLO CC[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671813 568493736 /nfs/dbraw/zinc/49/37/36/568493736.db2.gz CJMMNIXFODJYHC-QFIPXVFZSA-N 1 2 404.562 3.806 40 0 HHABLO COc1cccc(-c2csc(N3CC[NH+](CC(=O)Nc4ccccc4C)CC3)n2)c1 ZINC000057688602 568494320 /nfs/dbraw/zinc/49/43/20/568494320.db2.gz DKHAYRGXPLKSOI-UHFFFAOYSA-N 1 2 422.554 3.888 40 0 HHABLO CC(C)C[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057671241 568495167 /nfs/dbraw/zinc/49/51/67/568495167.db2.gz DHBLPTGCNONYOA-HXUWFJFHSA-N 1 2 414.941 3.877 40 0 HHABLO COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC000224977647 568607099 /nfs/dbraw/zinc/60/70/99/568607099.db2.gz PSVNJEKYNACAIP-UHFFFAOYSA-N 1 2 408.907 3.918 40 0 HHABLO Cc1cc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1N1CCCC1=O ZINC000225455073 568639428 /nfs/dbraw/zinc/63/94/28/568639428.db2.gz FXVLZBKTUXLEOI-UHFFFAOYSA-N 1 2 405.527 3.794 40 0 HHABLO COc1ccc([C@H]2C[C@@H](NC(C)=O)CC3(CCCCC3)O2)cc1C[NH+]1CCOCC1 ZINC000257210518 568779120 /nfs/dbraw/zinc/77/91/20/568779120.db2.gz BUZGGHIWLBUPSH-FYYLOGMGSA-N 1 2 416.562 3.587 40 0 HHABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000257261971 568793281 /nfs/dbraw/zinc/79/32/81/568793281.db2.gz LJMOSQRXHUSAEA-XMMPIXPASA-N 1 2 423.561 3.770 40 0 HHABLO Cc1c(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000257261971 568793283 /nfs/dbraw/zinc/79/32/83/568793283.db2.gz LJMOSQRXHUSAEA-XMMPIXPASA-N 1 2 423.561 3.770 40 0 HHABLO CNc1cc([C@@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)cc[nH+]1 ZINC000257264245 568794024 /nfs/dbraw/zinc/79/40/24/568794024.db2.gz LTOOYIRNOKVSFG-NRFANRHFSA-N 1 2 420.557 3.658 40 0 HHABLO Cc1nc2cc([C@@H]3CCC[N@@H+]3Cc3ccncc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257268275 568795108 /nfs/dbraw/zinc/79/51/08/568795108.db2.gz MKYOBPKLLMSCPB-QFIPXVFZSA-N 1 2 420.561 3.535 40 0 HHABLO Cc1nc2cc([C@@H]3CCC[N@H+]3Cc3ccncc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257268275 568795110 /nfs/dbraw/zinc/79/51/10/568795110.db2.gz MKYOBPKLLMSCPB-QFIPXVFZSA-N 1 2 420.561 3.535 40 0 HHABLO O=C(C[NH+]1CCC(c2cccc(Nc3ncccn3)n2)CC1)Nc1ccccc1F ZINC000257283415 568799647 /nfs/dbraw/zinc/79/96/47/568799647.db2.gz OYFFTGWOOFMEBE-UHFFFAOYSA-N 1 2 406.465 3.572 40 0 HHABLO COc1cccc(OCCc2cc([C@H]3C[N@H+](Cc4ccccc4F)CCO3)[nH]n2)c1 ZINC000257301730 568804784 /nfs/dbraw/zinc/80/47/84/568804784.db2.gz RZRIDCSGXCIXRE-HSZRJFAPSA-N 1 2 411.477 3.752 40 0 HHABLO COc1cccc(OCCc2cc([C@H]3C[N@@H+](Cc4ccccc4F)CCO3)[nH]n2)c1 ZINC000257301730 568804786 /nfs/dbraw/zinc/80/47/86/568804786.db2.gz RZRIDCSGXCIXRE-HSZRJFAPSA-N 1 2 411.477 3.752 40 0 HHABLO COc1ccc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306129375 568891913 /nfs/dbraw/zinc/89/19/13/568891913.db2.gz IBPGGFZDTSDLRP-QHCPKHFHSA-N 1 2 400.482 3.978 40 0 HHABLO COc1ccc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306129375 568891914 /nfs/dbraw/zinc/89/19/14/568891914.db2.gz IBPGGFZDTSDLRP-QHCPKHFHSA-N 1 2 400.482 3.978 40 0 HHABLO COc1ccc(C(=O)N2C[C@@H]3c4[nH+]cc(-c5cccc(OC)c5)n4CC[C@@H]3C2)cc1 ZINC000306130609 568893241 /nfs/dbraw/zinc/89/32/41/568893241.db2.gz JKVXIARMYWHLOX-NQIIRXRSSA-N 1 2 403.482 3.827 40 0 HHABLO Cc1ccccc1C(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306134292 568896233 /nfs/dbraw/zinc/89/62/33/568896233.db2.gz NHZYTYBOGGXODR-OFVILXPXSA-N 1 2 420.557 3.641 40 0 HHABLO CC(C)[N@@H+]1CCc2c(n3ncc(-c4ccccc4)nc3c2C(=O)N2CCCCC2)C1 ZINC000306140352 568902064 /nfs/dbraw/zinc/90/20/64/568902064.db2.gz URAGLUMKAMPPRJ-UHFFFAOYSA-N 1 2 403.530 3.789 40 0 HHABLO CC(C)[N@H+]1CCc2c(n3ncc(-c4ccccc4)nc3c2C(=O)N2CCCCC2)C1 ZINC000306140352 568902067 /nfs/dbraw/zinc/90/20/67/568902067.db2.gz URAGLUMKAMPPRJ-UHFFFAOYSA-N 1 2 403.530 3.789 40 0 HHABLO CCNc1nc(Nc2ccc(I)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329018914 568972906 /nfs/dbraw/zinc/97/29/06/568972906.db2.gz NTOIADZOMFMMEY-UHFFFAOYSA-N 1 2 414.678 3.631 40 0 HHABLO COCc1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)ccc1OC(C)C ZINC000019693486 569346417 /nfs/dbraw/zinc/34/64/17/569346417.db2.gz DEBXKXCJHXWPIM-XMMPIXPASA-N 1 2 422.529 3.979 40 0 HHABLO COCc1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)ccc1OC(C)C ZINC000019693486 569346418 /nfs/dbraw/zinc/34/64/18/569346418.db2.gz DEBXKXCJHXWPIM-XMMPIXPASA-N 1 2 422.529 3.979 40 0 HHABLO CC(C)(C)c1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000023227784 569349856 /nfs/dbraw/zinc/34/98/56/569349856.db2.gz LUUJWEVGHFDPLT-UHFFFAOYSA-N 1 2 408.542 3.990 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)s1 ZINC000261365245 569413707 /nfs/dbraw/zinc/41/37/07/569413707.db2.gz QXCQELWWHBUNQS-LJQANCHMSA-O 1 2 413.548 3.922 40 0 HHABLO COc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676043 291254460 /nfs/dbraw/zinc/25/44/60/291254460.db2.gz BJDCEMBESHSNGQ-IBGZPJMESA-N 1 2 419.416 3.547 40 0 biogenic,in-vitro HHABLO COc1ccc(C(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676043 291254463 /nfs/dbraw/zinc/25/44/63/291254463.db2.gz BJDCEMBESHSNGQ-IBGZPJMESA-N 1 2 419.416 3.547 40 0 biogenic,in-vitro HHABLO COc1cccc(-c2nc(-c3noc4ccc(C(=O)N5CC[NH+](C)CC5)cc43)co2)c1 ZINC000096154352 525720684 /nfs/dbraw/zinc/72/06/84/525720684.db2.gz JRPJJFNPINIDBS-UHFFFAOYSA-N 1 2 418.453 3.546 40 0 HHABLO COc1cccc(C(=S)NCC[NH+]2CCOCC2)c1OCc1ccccc1Cl ZINC000408574930 557478658 /nfs/dbraw/zinc/47/86/58/557478658.db2.gz NCQMKSAYZUMVFK-UHFFFAOYSA-N 1 2 420.962 3.525 40 0 HHABLO Cc1[nH+]c2ccccc2n1CCC(=O)NN1C(=O)CS[C@H]1c1ccccc1Cl ZINC000003851083 557501124 /nfs/dbraw/zinc/50/11/24/557501124.db2.gz HJFJVKPUXNFUJB-FQEVSTJZSA-N 1 2 414.918 3.694 40 0 HHABLO C[NH+](C)c1ccc(NC2=C(C(=O)Nc3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000009189760 557826822 /nfs/dbraw/zinc/82/68/22/557826822.db2.gz PASTVDLVNOJPAJ-UHFFFAOYSA-N 1 2 419.506 3.959 40 0 HHABLO Cn1cc[nH+]c1[C@H](NC(=O)CC1CCN(C(=O)CC2CCCCC2)CC1)C1CC1 ZINC000019748786 558267995 /nfs/dbraw/zinc/26/79/95/558267995.db2.gz RQVFLIYZANWYAJ-JOCHJYFZSA-N 1 2 400.567 3.587 40 0 HHABLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccncc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753303 558272458 /nfs/dbraw/zinc/27/24/58/558272458.db2.gz JIUJKVNUGAEXQW-OAQYLSRUSA-N 1 2 405.477 3.586 40 0 HHABLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccncc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753303 558272460 /nfs/dbraw/zinc/27/24/60/558272460.db2.gz JIUJKVNUGAEXQW-OAQYLSRUSA-N 1 2 405.477 3.586 40 0 HHABLO Cc1cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC000022510980 558492884 /nfs/dbraw/zinc/49/28/84/558492884.db2.gz BSAVLVWWEDIQBX-UHFFFAOYSA-N 1 2 400.276 3.638 40 0 HHABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030945181 558746199 /nfs/dbraw/zinc/74/61/99/558746199.db2.gz YMASGHPXPALQDL-UHFFFAOYSA-N 1 2 414.431 3.913 40 0 HHABLO O=C(Nc1ccc(I)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038834857 558817781 /nfs/dbraw/zinc/81/77/81/558817781.db2.gz VXYBROUABZEJGC-UHFFFAOYSA-N 1 2 403.223 3.788 40 0 HHABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)cc1F ZINC000019240476 558859104 /nfs/dbraw/zinc/85/91/04/558859104.db2.gz VAIBARWFMNGDSJ-CQSZACIVSA-N 1 2 423.535 3.729 40 0 HHABLO COc1cc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC ZINC000019549767 558914444 /nfs/dbraw/zinc/91/44/44/558914444.db2.gz KFPDCIDWLZDWDF-SFHVURJKSA-N 1 2 422.485 3.607 40 0 HHABLO COc1cc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC ZINC000019549767 558914445 /nfs/dbraw/zinc/91/44/45/558914445.db2.gz KFPDCIDWLZDWDF-SFHVURJKSA-N 1 2 422.485 3.607 40 0 HHABLO Cc1nc2sccn2c1C[N@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000019555086 558917901 /nfs/dbraw/zinc/91/79/01/558917901.db2.gz VUHABEWCOSEPCP-UHFFFAOYSA-N 1 2 420.498 3.579 40 0 HHABLO Cc1nc2sccn2c1C[N@@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000019555086 558917902 /nfs/dbraw/zinc/91/79/02/558917902.db2.gz VUHABEWCOSEPCP-UHFFFAOYSA-N 1 2 420.498 3.579 40 0 HHABLO COc1cccc(C[N@@H+](Cc2[nH]nnc2-c2ccccc2)C[C@H]2CCCO2)c1OC ZINC000019567522 558926857 /nfs/dbraw/zinc/92/68/57/558926857.db2.gz BQOXJGQKOQEVME-LJQANCHMSA-N 1 2 408.502 3.670 40 0 HHABLO COc1cccc(C[N@H+](Cc2[nH]nnc2-c2ccccc2)C[C@H]2CCCO2)c1OC ZINC000019567522 558926859 /nfs/dbraw/zinc/92/68/59/558926859.db2.gz BQOXJGQKOQEVME-LJQANCHMSA-N 1 2 408.502 3.670 40 0 HHABLO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)nc1C ZINC000072345441 558941830 /nfs/dbraw/zinc/94/18/30/558941830.db2.gz CDISNSNIWAWRKS-FQEVSTJZSA-N 1 2 420.517 3.507 40 0 HHABLO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)nc1C ZINC000072345441 558941831 /nfs/dbraw/zinc/94/18/31/558941831.db2.gz CDISNSNIWAWRKS-FQEVSTJZSA-N 1 2 420.517 3.507 40 0 HHABLO CCCN1CC[N@H+](Cc2ccncc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351557 558947895 /nfs/dbraw/zinc/94/78/95/558947895.db2.gz ZUYZWDJTNAKZFM-XMMPIXPASA-N 1 2 400.526 3.809 40 0 HHABLO CCCN1CC[N@@H+](Cc2ccncc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351557 558947898 /nfs/dbraw/zinc/94/78/98/558947898.db2.gz ZUYZWDJTNAKZFM-XMMPIXPASA-N 1 2 400.526 3.809 40 0 HHABLO COc1ccc(CC(=O)N2CCC(c3cc(-c4ccc(N)[nH+]c4)cc(C)n3)CC2)cc1 ZINC000019694866 558963568 /nfs/dbraw/zinc/96/35/68/558963568.db2.gz AXGRHNONFMSEDI-UHFFFAOYSA-N 1 2 416.525 3.992 40 0 HHABLO CCc1[nH+]ccn1-c1cccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000072378744 558967566 /nfs/dbraw/zinc/96/75/66/558967566.db2.gz SIZFUBNVKDFYCT-UHFFFAOYSA-N 1 2 414.506 3.537 40 0 HHABLO COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1nc(C)c3c(n1)N(C)CCC3)OCCO2 ZINC000019706095 558968673 /nfs/dbraw/zinc/96/86/73/558968673.db2.gz AQVXDGNZVKDFTQ-IBGZPJMESA-N 1 2 424.545 3.674 40 0 HHABLO COc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1nc(C)c3c(n1)N(C)CCC3)OCCO2 ZINC000019706095 558968675 /nfs/dbraw/zinc/96/86/75/558968675.db2.gz AQVXDGNZVKDFTQ-IBGZPJMESA-N 1 2 424.545 3.674 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000072383116 558969129 /nfs/dbraw/zinc/96/91/29/558969129.db2.gz KGKGYZQFUZLVPN-IBGZPJMESA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000072383116 558969130 /nfs/dbraw/zinc/96/91/30/558969130.db2.gz KGKGYZQFUZLVPN-IBGZPJMESA-N 1 2 418.522 3.778 40 0 HHABLO Cc1cc2[nH]c(CCNC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)[nH+]c2cc1C ZINC000019714443 558974318 /nfs/dbraw/zinc/97/43/18/558974318.db2.gz MNLIECZWWJYAKO-UHFFFAOYSA-N 1 2 413.905 3.896 40 0 HHABLO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000019718463 558981864 /nfs/dbraw/zinc/98/18/64/558981864.db2.gz XJWRZYGCCMUOMQ-SFHVURJKSA-N 1 2 406.530 3.655 40 0 HHABLO O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(Cl)cc2)N1CC[NH+]1CCOCC1 ZINC000015105858 558987398 /nfs/dbraw/zinc/98/73/98/558987398.db2.gz JHTUWKCAYQYRBG-JOCHJYFZSA-N 1 2 422.916 3.608 40 0 HHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccccc3)C[C@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106866 559029254 /nfs/dbraw/zinc/02/92/54/559029254.db2.gz KGRHTXKICLFCQR-SQJMNOBHSA-N 1 2 420.557 3.722 40 0 HHABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)c1ccc(F)cc1OC)CC2 ZINC000585111624 559030598 /nfs/dbraw/zinc/03/05/98/559030598.db2.gz YKVFQHNVBSJPOM-UHFFFAOYSA-N 1 2 409.461 3.543 40 0 HHABLO CCCN1CC[N@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183558 559070321 /nfs/dbraw/zinc/07/03/21/559070321.db2.gz APVNZYMCKUXZOU-JOCHJYFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CC[N@@H+](Cc2c[nH]cn2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183558 559070322 /nfs/dbraw/zinc/07/03/22/559070322.db2.gz APVNZYMCKUXZOU-JOCHJYFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CC[N@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183558 559070323 /nfs/dbraw/zinc/07/03/23/559070323.db2.gz APVNZYMCKUXZOU-JOCHJYFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CC[N@@H+](Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183558 559070325 /nfs/dbraw/zinc/07/03/25/559070325.db2.gz APVNZYMCKUXZOU-JOCHJYFZSA-N 1 2 402.542 3.990 40 0 HHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000892912 560543116 /nfs/dbraw/zinc/54/31/16/560543116.db2.gz WKCWHBSSIBEIRR-OAQYLSRUSA-N 1 2 422.533 3.604 40 0 HHABLO C[C@@H]1Cc2ccccc2N1C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000929828 560557876 /nfs/dbraw/zinc/55/78/76/560557876.db2.gz VFNXVMPQWVDXAE-OAHLLOKOSA-N 1 2 401.495 3.885 40 0 HHABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000001224841 560572682 /nfs/dbraw/zinc/57/26/82/560572682.db2.gz OGSSAGFOMBAQHT-NRFANRHFSA-N 1 2 422.533 3.604 40 0 HHABLO C[C@H]1CCCN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2Cl)C1 ZINC000001346477 560576332 /nfs/dbraw/zinc/57/63/32/560576332.db2.gz VWCYFPINXKRTFG-ZDUSSCGKSA-N 1 2 401.923 3.820 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160204 560601252 /nfs/dbraw/zinc/60/12/52/560601252.db2.gz UKRJEPMGWHXYOU-HRAATJIYSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160204 560601253 /nfs/dbraw/zinc/60/12/53/560601253.db2.gz UKRJEPMGWHXYOU-HRAATJIYSA-N 1 2 406.534 3.759 40 0 HHABLO CC(C)(C)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020139209 560880969 /nfs/dbraw/zinc/88/09/69/560880969.db2.gz SDDAVQRWQXZDNL-HXUWFJFHSA-N 1 2 410.953 3.993 40 0 HHABLO O=S(=O)(c1ccc(F)cc1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020530717 568452978 /nfs/dbraw/zinc/45/29/78/568452978.db2.gz QGXCULPOVGOVHX-UHFFFAOYSA-N 1 2 408.498 3.902 40 0 HHABLO C[C@@]1(O)CC[N@H+](Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383095 568489711 /nfs/dbraw/zinc/48/97/11/568489711.db2.gz IHLPJISMQJUWHE-JAXLGGSGSA-N 1 2 417.550 3.655 40 0 biogenic,in-vitro HHABLO C[C@@]1(O)CC[N@@H+](Cc2ccncc2F)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383095 568489712 /nfs/dbraw/zinc/48/97/12/568489712.db2.gz IHLPJISMQJUWHE-JAXLGGSGSA-N 1 2 417.550 3.655 40 0 biogenic,in-vitro HHABLO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057671866 568493697 /nfs/dbraw/zinc/49/36/97/568493697.db2.gz URCRCEFHRUHWOJ-QFIPXVFZSA-N 1 2 408.525 3.574 40 0 HHABLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000057688547 568494259 /nfs/dbraw/zinc/49/42/59/568494259.db2.gz WYZXEPZTJKORNT-IAGOWNOFSA-N 1 2 416.566 3.861 40 0 HHABLO CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670429 568494747 /nfs/dbraw/zinc/49/47/47/568494747.db2.gz AQZFVKKRVWNTIL-LEWJYISDSA-N 1 2 412.582 3.522 40 0 HHABLO CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000222562208 568518519 /nfs/dbraw/zinc/51/85/19/568518519.db2.gz PAQULVCVBZQMFQ-UHFFFAOYSA-N 1 2 407.861 3.907 40 0 HHABLO COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223019394 568534494 /nfs/dbraw/zinc/53/44/94/568534494.db2.gz VLVCXPIZGWNEAR-VXKWHMMOSA-N 1 2 421.570 3.557 40 0 HHABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000225221863 568624263 /nfs/dbraw/zinc/62/42/63/568624263.db2.gz HCMGQVVGMWRNCW-UHFFFAOYSA-N 1 2 411.449 3.805 40 0 HHABLO COC(=O)c1cc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000225454193 568639455 /nfs/dbraw/zinc/63/94/55/568639455.db2.gz TZEQVBXLVXROKY-UHFFFAOYSA-N 1 2 400.891 3.799 40 0 HHABLO O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225737272 568669754 /nfs/dbraw/zinc/66/97/54/568669754.db2.gz FQEQCDIZSCHFSA-QPJJXVBHSA-N 1 2 421.928 3.513 40 0 HHABLO O=C(C[NH+]1CCC(c2ccnc(Nc3ccccn3)n2)CC1)Nc1ccccc1F ZINC000257226168 568783758 /nfs/dbraw/zinc/78/37/58/568783758.db2.gz FJKXCQYTHHDIKI-UHFFFAOYSA-N 1 2 406.465 3.572 40 0 HHABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)nc1 ZINC000257246098 568789190 /nfs/dbraw/zinc/78/91/90/568789190.db2.gz ISMRAJZKDKVUTP-NRFANRHFSA-N 1 2 421.476 3.680 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257256533 568792084 /nfs/dbraw/zinc/79/20/84/568792084.db2.gz KLWNBJRTUFVZAY-XMMPIXPASA-N 1 2 407.514 3.922 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257256533 568792086 /nfs/dbraw/zinc/79/20/86/568792086.db2.gz KLWNBJRTUFVZAY-XMMPIXPASA-N 1 2 407.514 3.922 40 0 HHABLO CNc1cc([C@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccccc3)CC2)cc[nH+]1 ZINC000257264246 568794067 /nfs/dbraw/zinc/79/40/67/568794067.db2.gz LTOOYIRNOKVSFG-OAQYLSRUSA-N 1 2 420.557 3.658 40 0 HHABLO Cc1ccc(F)c(NC(=O)C[NH+]2CCC(c3ccnc(Nc4ccccn4)n3)CC2)c1 ZINC000257268664 568795191 /nfs/dbraw/zinc/79/51/91/568795191.db2.gz MMPSHBQCXPMTFK-UHFFFAOYSA-N 1 2 420.492 3.881 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1)Cc1ccccn1 ZINC000257299470 568804246 /nfs/dbraw/zinc/80/42/46/568804246.db2.gz RQELRKQYQIBAJI-IBGZPJMESA-N 1 2 422.504 3.638 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1)Cc1ccccn1 ZINC000257299470 568804247 /nfs/dbraw/zinc/80/42/47/568804247.db2.gz RQELRKQYQIBAJI-IBGZPJMESA-N 1 2 422.504 3.638 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cc(Nc3nncs3)cc(C)n2)C1 ZINC000257334952 568814544 /nfs/dbraw/zinc/81/45/44/568814544.db2.gz YHZNRCWXOYIGDG-FQEVSTJZSA-N 1 2 411.531 3.876 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cc(Nc3nncs3)cc(C)n2)C1 ZINC000257334952 568814546 /nfs/dbraw/zinc/81/45/46/568814546.db2.gz YHZNRCWXOYIGDG-FQEVSTJZSA-N 1 2 411.531 3.876 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257342170 568816670 /nfs/dbraw/zinc/81/66/70/568816670.db2.gz ZNKIEQCYPGGINW-XMMPIXPASA-N 1 2 417.509 3.738 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257342170 568816672 /nfs/dbraw/zinc/81/66/72/568816672.db2.gz ZNKIEQCYPGGINW-XMMPIXPASA-N 1 2 417.509 3.738 40 0 HHABLO CCOc1ccccc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261366376 568819737 /nfs/dbraw/zinc/81/97/37/568819737.db2.gz ZHZMMOXSWLGDOT-NRFANRHFSA-O 1 2 423.518 3.561 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306130214 568892635 /nfs/dbraw/zinc/89/26/35/568892635.db2.gz IZGSSPLEIWJBTC-TZIWHRDSSA-N 1 2 412.461 3.782 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306130214 568892637 /nfs/dbraw/zinc/89/26/37/568892637.db2.gz IZGSSPLEIWJBTC-TZIWHRDSSA-N 1 2 412.461 3.782 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306133030 568895101 /nfs/dbraw/zinc/89/51/01/568895101.db2.gz LZPGMJLDVHVOJA-IFMALSPDSA-N 1 2 424.497 3.652 40 0 HHABLO COc1ccc(C[N@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306133030 568895103 /nfs/dbraw/zinc/89/51/03/568895103.db2.gz LZPGMJLDVHVOJA-IFMALSPDSA-N 1 2 424.497 3.652 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306133032 568895154 /nfs/dbraw/zinc/89/51/54/568895154.db2.gz LZPGMJLDVHVOJA-RBBKRZOGSA-N 1 2 424.497 3.652 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306133032 568895155 /nfs/dbraw/zinc/89/51/55/568895155.db2.gz LZPGMJLDVHVOJA-RBBKRZOGSA-N 1 2 424.497 3.652 40 0 HHABLO Cc1nc2c(n1CC1CC1)C[N@H+](Cc1ccoc1)CC21CCN(c2ncccn2)CC1 ZINC000306143704 568905219 /nfs/dbraw/zinc/90/52/19/568905219.db2.gz YJVYKXGMCPBQRF-UHFFFAOYSA-N 1 2 418.545 3.539 40 0 HHABLO Cc1nc2c(n1CC1CC1)C[N@@H+](Cc1ccoc1)CC21CCN(c2ncccn2)CC1 ZINC000306143704 568905220 /nfs/dbraw/zinc/90/52/20/568905220.db2.gz YJVYKXGMCPBQRF-UHFFFAOYSA-N 1 2 418.545 3.539 40 0 HHABLO Cc1[nH+]c2c(n1CC1CC1)CN(Cc1ccoc1)CC21CCN(c2ncccn2)CC1 ZINC000306143704 568905221 /nfs/dbraw/zinc/90/52/21/568905221.db2.gz YJVYKXGMCPBQRF-UHFFFAOYSA-N 1 2 418.545 3.539 40 0 HHABLO CC(C)n1cc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306144718 568906089 /nfs/dbraw/zinc/90/60/89/568906089.db2.gz ZMVWOIITISHXLL-QHCPKHFHSA-N 1 2 415.545 3.662 40 0 HHABLO CC(C)n1cc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306144718 568906092 /nfs/dbraw/zinc/90/60/92/568906092.db2.gz ZMVWOIITISHXLL-QHCPKHFHSA-N 1 2 415.545 3.662 40 0 HHABLO CNc1nc(NCc2cccc(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328988304 568971446 /nfs/dbraw/zinc/97/14/46/568971446.db2.gz IFWURVYXCVSWEY-UHFFFAOYSA-N 1 2 404.392 3.548 40 0 HHABLO C[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329024553 568973342 /nfs/dbraw/zinc/97/33/42/568973342.db2.gz PAZLEGWAWAOVHU-SECBINFHSA-N 1 2 420.357 3.772 40 0 HHABLO CC[C@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329030379 568973783 /nfs/dbraw/zinc/97/37/83/568973783.db2.gz QEEHXNKJUKANSL-AWEZNQCLSA-N 1 2 412.335 3.967 40 0 HHABLO CCNc1nc(NCc2cccc(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070211 568975904 /nfs/dbraw/zinc/97/59/04/568975904.db2.gz ZEWDQGXZEZFVJZ-UHFFFAOYSA-N 1 2 418.419 3.939 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1 ZINC000019693665 569346456 /nfs/dbraw/zinc/34/64/56/569346456.db2.gz YKHODIYTNULJBQ-DEOSSOPVSA-N 1 2 417.509 3.738 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1 ZINC000019693665 569346457 /nfs/dbraw/zinc/34/64/57/569346457.db2.gz YKHODIYTNULJBQ-DEOSSOPVSA-N 1 2 417.509 3.738 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cccc(OC)c1 ZINC000261364135 569413526 /nfs/dbraw/zinc/41/35/26/569413526.db2.gz JMCXUPOFZKDDJE-NRFANRHFSA-O 1 2 423.518 3.561 40 0 HHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)[nH+]1 ZINC000329037031 571306213 /nfs/dbraw/zinc/30/62/13/571306213.db2.gz RLOHFXKQSPAPRC-INIZCTEOSA-N 1 2 409.303 4.428 40 0 HHABLO CC(C)(C)C(=O)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475293 291247444 /nfs/dbraw/zinc/24/74/44/291247444.db2.gz QVBJNYSLGWXDOH-UHFFFAOYSA-N 1 2 413.587 3.558 40 0 biogenic,in-vitro HHABLO CC(C)(C)C(=O)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475293 291247448 /nfs/dbraw/zinc/24/74/48/291247448.db2.gz QVBJNYSLGWXDOH-UHFFFAOYSA-N 1 2 413.587 3.558 40 0 biogenic,in-vitro HHABLO COc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015675666 291254995 /nfs/dbraw/zinc/25/49/95/291254995.db2.gz LWBWTGGFWVUALG-NRFANRHFSA-N 1 2 401.470 3.692 40 0 biogenic,in-vitro HHABLO COc1ccc2nc(CO[C@H]3C[N@H+](Cc4cn(C)c5ccccc45)C[C@H]3F)[nH]c2c1 ZINC000096112270 291255643 /nfs/dbraw/zinc/25/56/43/291255643.db2.gz QTWWQCCDBRESBK-GCJKJVERSA-N 1 2 408.477 3.802 40 0 biogenic,in-vitro HHABLO COc1ccc2nc(CO[C@H]3C[N@@H+](Cc4cn(C)c5ccccc45)C[C@H]3F)[nH]c2c1 ZINC000096112270 291255646 /nfs/dbraw/zinc/25/56/46/291255646.db2.gz QTWWQCCDBRESBK-GCJKJVERSA-N 1 2 408.477 3.802 40 0 biogenic,in-vitro HHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3ccc(F)cc3)n2)cc1 ZINC000015675790 291257059 /nfs/dbraw/zinc/25/70/59/291257059.db2.gz NCVLTLFXAOSCEB-IBGZPJMESA-N 1 2 403.417 3.847 40 0 biogenic,in-vitro HHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3ccc(F)cc3)n2)cc1 ZINC000015675790 291257063 /nfs/dbraw/zinc/25/70/63/291257063.db2.gz NCVLTLFXAOSCEB-IBGZPJMESA-N 1 2 403.417 3.847 40 0 biogenic,in-vitro HHABLO O[C@H](c1nccs1)c1cccc(F)c1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019293870 132466843 /nfs/dbraw/zinc/46/68/43/132466843.db2.gz AFQAWMXUOUCFAJ-FQEVSTJZSA-N 1 2 401.482 3.825 40 0 HHABLO CCOC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000044845044 521515226 /nfs/dbraw/zinc/51/52/26/521515226.db2.gz LGBQLILWEJEHAW-UHFFFAOYSA-N 1 2 402.878 3.601 40 0 HHABLO C[C@]12CC[C@H]3c4ccc(OC(=O)CC[NH+]5CCOCC5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000020111445 525353017 /nfs/dbraw/zinc/35/30/17/525353017.db2.gz PAEWODTUFUTSCJ-MTQWNXOMSA-N 1 2 411.542 3.740 40 0 HHABLO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000035848109 557641394 /nfs/dbraw/zinc/64/13/94/557641394.db2.gz LKISCTNMRXYASH-MHTWAQMVSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000035848109 557641396 /nfs/dbraw/zinc/64/13/96/557641396.db2.gz LKISCTNMRXYASH-MHTWAQMVSA-N 1 2 422.912 3.792 40 0 HHABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000012116427 558328588 /nfs/dbraw/zinc/32/85/88/558328588.db2.gz ODSWNYOIAXHLDR-SFHVURJKSA-N 1 2 401.514 3.630 40 0 HHABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@H+](CC(=O)N(C(C)C)C(C)C)C3)c(=O)c12 ZINC000012184176 558344301 /nfs/dbraw/zinc/34/43/01/558344301.db2.gz KTKPDFVZFWYPJQ-QGZVFWFLSA-N 1 2 418.607 3.611 40 0 HHABLO CCc1c(C)sc2ncn([C@@H]3CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C3)c(=O)c12 ZINC000012184176 558344304 /nfs/dbraw/zinc/34/43/04/558344304.db2.gz KTKPDFVZFWYPJQ-QGZVFWFLSA-N 1 2 418.607 3.611 40 0 HHABLO COc1ccccc1Cc1nnc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000036752421 558802824 /nfs/dbraw/zinc/80/28/24/558802824.db2.gz KCKPTTUPYFIEBU-HXUWFJFHSA-N 1 2 408.527 3.913 40 0 HHABLO CC(C)c1cccc(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000019366050 558876864 /nfs/dbraw/zinc/87/68/64/558876864.db2.gz PDKHDYYCCPDKCB-DQEYMECFSA-N 1 2 422.569 3.767 40 0 HHABLO CC(C)c1ccc([C@@H]([C@@H](C(=O)c2ccccc2)N2CCOCC2)[NH+]2CCOCC2)cc1 ZINC000019366177 558877065 /nfs/dbraw/zinc/87/70/65/558877065.db2.gz QPEVDJKHPSJWEK-DQEYMECFSA-N 1 2 422.569 3.767 40 0 HHABLO CCn1c2ccccc2nc1C[N@@H+]1C[C@H]2N(CC)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000019524315 558905575 /nfs/dbraw/zinc/90/55/75/558905575.db2.gz CZQAGCGQMRHPND-BWKNWUBXSA-N 1 2 416.525 3.605 40 0 HHABLO CCn1c2ccccc2nc1C[N@H+]1C[C@H]2N(CC)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000019524315 558905576 /nfs/dbraw/zinc/90/55/76/558905576.db2.gz CZQAGCGQMRHPND-BWKNWUBXSA-N 1 2 416.525 3.605 40 0 HHABLO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1OC ZINC000019567870 558927016 /nfs/dbraw/zinc/92/70/16/558927016.db2.gz PTXBLHZMOWKPON-LJQANCHMSA-N 1 2 406.486 3.989 40 0 HHABLO COc1cccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1OC ZINC000019567870 558927019 /nfs/dbraw/zinc/92/70/19/558927019.db2.gz PTXBLHZMOWKPON-LJQANCHMSA-N 1 2 406.486 3.989 40 0 HHABLO O[C@@H](c1nccs1)c1ccccc1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000072340516 558939105 /nfs/dbraw/zinc/93/91/05/558939105.db2.gz JDAWNDFZDSTIRJ-HXUWFJFHSA-N 1 2 401.482 3.825 40 0 HHABLO COc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1C[NH+]1CCOCC1 ZINC000072341964 558940073 /nfs/dbraw/zinc/94/00/73/558940073.db2.gz JEJQILUIGJJROC-UHFFFAOYSA-N 1 2 407.518 3.592 40 0 HHABLO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+](CC(=O)Nc3ccccn3)C2)n1 ZINC000072349552 558946278 /nfs/dbraw/zinc/94/62/78/558946278.db2.gz HENJFLGPZHLFHA-FQEVSTJZSA-N 1 2 416.525 3.894 40 0 HHABLO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccn3)C2)n1 ZINC000072349552 558946280 /nfs/dbraw/zinc/94/62/80/558946280.db2.gz HENJFLGPZHLFHA-FQEVSTJZSA-N 1 2 416.525 3.894 40 0 HHABLO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351278 558947661 /nfs/dbraw/zinc/94/76/61/558947661.db2.gz GHWCDLOFNXWDOH-JOCHJYFZSA-N 1 2 420.561 3.535 40 0 HHABLO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000072351278 558947663 /nfs/dbraw/zinc/94/76/63/558947663.db2.gz GHWCDLOFNXWDOH-JOCHJYFZSA-N 1 2 420.561 3.535 40 0 HHABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)n1 ZINC000072355377 558952606 /nfs/dbraw/zinc/95/26/06/558952606.db2.gz STLKBADVCQCXOE-UHFFFAOYSA-N 1 2 419.529 3.572 40 0 HHABLO CC(=O)N1CCCC[C@H]1c1nc2c(c(NCc3cccc(C)c3C)n1)C[N@H+](C)CC2 ZINC000072372360 558959699 /nfs/dbraw/zinc/95/96/99/558959699.db2.gz YMVVQXZHZWCJPP-QFIPXVFZSA-N 1 2 407.562 3.767 40 0 HHABLO CC(=O)N1CCCC[C@H]1c1nc2c(c(NCc3cccc(C)c3C)n1)C[N@@H+](C)CC2 ZINC000072372360 558959701 /nfs/dbraw/zinc/95/97/01/558959701.db2.gz YMVVQXZHZWCJPP-QFIPXVFZSA-N 1 2 407.562 3.767 40 0 HHABLO CCOC(=O)N1CCN(c2ccc([NH2+]Cc3cc4cc(C)ccc4[nH]c3=O)cc2)CC1 ZINC000072396191 558975243 /nfs/dbraw/zinc/97/52/43/558975243.db2.gz HDCFBSNWMNVDBV-UHFFFAOYSA-N 1 2 420.513 3.727 40 0 HHABLO COc1ccccc1CNC(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037508 559091246 /nfs/dbraw/zinc/09/12/46/559091246.db2.gz PCOFURPRKHVKLP-XMMPIXPASA-N 1 2 418.541 3.888 40 0 HHABLO O=C(c1ccc2ncccc2c1)N1CCC[C@@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096075749 559094636 /nfs/dbraw/zinc/09/46/36/559094636.db2.gz WIGGPWLHYQELEY-MHECFPHRSA-N 1 2 402.498 3.753 40 0 HHABLO COc1cccc(-c2cccc3c([C@@H]4CN(Cc5cccnc5)CCO4)[nH+]cn32)c1 ZINC000096155868 559099961 /nfs/dbraw/zinc/09/99/61/559099961.db2.gz HWJFCSMJTWHMRP-QHCPKHFHSA-N 1 2 400.482 3.978 40 0 HHABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000107249268 559164815 /nfs/dbraw/zinc/16/48/15/559164815.db2.gz JWHKJKBPIQVHSC-ISKFKSNPSA-N 1 2 404.535 3.859 40 0 HHABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000107249268 559164817 /nfs/dbraw/zinc/16/48/17/559164817.db2.gz JWHKJKBPIQVHSC-ISKFKSNPSA-N 1 2 404.535 3.859 40 0 HHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000782100 559279064 /nfs/dbraw/zinc/27/90/64/559279064.db2.gz XJEDHVMKSWYTSK-FQEVSTJZSA-N 1 2 408.550 3.653 40 0 HHABLO COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCc3[nH]cc[nH+]3)CCOCC2)c1 ZINC000257287862 559285515 /nfs/dbraw/zinc/28/55/15/559285515.db2.gz PRUBASLCYHWSSI-UHFFFAOYSA-N 1 2 423.488 3.880 40 0 HHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000000889541 560542004 /nfs/dbraw/zinc/54/20/04/560542004.db2.gz LQYURBQTWXBUGW-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000888936 560542126 /nfs/dbraw/zinc/54/21/26/560542126.db2.gz PUECTEYMGQXIKO-NRFANRHFSA-N 1 2 406.534 3.904 40 0 HHABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000893707 560543537 /nfs/dbraw/zinc/54/35/37/560543537.db2.gz HIBPPSCCFCOFAZ-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc12 ZINC000000894108 560543665 /nfs/dbraw/zinc/54/36/65/560543665.db2.gz LYHHFJYAADTCQI-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000000927911 560557036 /nfs/dbraw/zinc/55/70/36/560557036.db2.gz JFXOTZBOOUVWSZ-UHFFFAOYSA-N 1 2 424.549 3.613 40 0 HHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000000927911 560557038 /nfs/dbraw/zinc/55/70/38/560557038.db2.gz JFXOTZBOOUVWSZ-UHFFFAOYSA-N 1 2 424.549 3.613 40 0 HHABLO CCOC(=O)c1sc(NC(=O)C[NH+]2CCCC2)c(C(=O)Nc2ccccc2)c1C ZINC000014152874 560839061 /nfs/dbraw/zinc/83/90/61/560839061.db2.gz JVWKFUCRFBSQFT-UHFFFAOYSA-N 1 2 415.515 3.520 40 0 HHABLO FC(F)(F)c1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000017093540 560868179 /nfs/dbraw/zinc/86/81/79/560868179.db2.gz ILJVIPPKJZZOFA-UHFFFAOYSA-N 1 2 423.460 3.949 40 0 HHABLO CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670417 568494541 /nfs/dbraw/zinc/49/45/41/568494541.db2.gz LDBGXYYYHGCKLH-IRLDBZIGSA-N 1 2 412.582 3.522 40 0 HHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670746 568494842 /nfs/dbraw/zinc/49/48/42/568494842.db2.gz FQYCLVCHFBCECJ-NRFANRHFSA-N 1 2 408.525 3.751 40 0 HHABLO CC(C)C[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057670697 568494879 /nfs/dbraw/zinc/49/48/79/568494879.db2.gz VPSCFTJBMUHSKH-JOCHJYFZSA-N 1 2 408.525 3.770 40 0 HHABLO Cc1ccc(C)n1-n1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)nnc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225151737 568618295 /nfs/dbraw/zinc/61/82/95/568618295.db2.gz MDIBVYMKJJKNBR-LWYYNNOASA-N 1 2 412.626 3.964 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@H](C)C2)nnc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000225151737 568618298 /nfs/dbraw/zinc/61/82/98/568618298.db2.gz MDIBVYMKJJKNBR-LWYYNNOASA-N 1 2 412.626 3.964 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@@H](C)C[C@H](C)C2)nnc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225151737 568618300 /nfs/dbraw/zinc/61/83/00/568618300.db2.gz MDIBVYMKJJKNBR-LWYYNNOASA-N 1 2 412.626 3.964 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@@H](C)C[C@H](C)C2)nnc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225151737 568618303 /nfs/dbraw/zinc/61/83/03/568618303.db2.gz MDIBVYMKJJKNBR-LWYYNNOASA-N 1 2 412.626 3.964 40 0 HHABLO COc1cc(C)c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C(C)C ZINC000225658679 568660956 /nfs/dbraw/zinc/66/09/56/568660956.db2.gz CPKSRAHYCSUTJB-UHFFFAOYSA-N 1 2 410.514 3.814 40 0 HHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc3c2CCCC3)C[C@@H]1Oc1cccc(F)c1 ZINC000257249737 568790399 /nfs/dbraw/zinc/79/03/99/568790399.db2.gz JJPCJIBBEUIBLV-UPVQGACJSA-N 1 2 412.505 3.547 40 0 HHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc3c2CCCC3)C[C@@H]1Oc1cccc(F)c1 ZINC000257249737 568790402 /nfs/dbraw/zinc/79/04/02/568790402.db2.gz JJPCJIBBEUIBLV-UPVQGACJSA-N 1 2 412.505 3.547 40 0 HHABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257284731 568799804 /nfs/dbraw/zinc/79/98/04/568799804.db2.gz PEABSXKJAIOJAT-HYBUGGRVSA-N 1 2 423.488 3.713 40 0 HHABLO CN(C)c1cc([C@H]2CCCN2C(=O)C(O)(c2ccccc2)c2ccccc2)cc[nH+]1 ZINC000257333068 568814028 /nfs/dbraw/zinc/81/40/28/568814028.db2.gz XZZZAOVZCPAYJP-JOCHJYFZSA-N 1 2 401.510 3.747 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Cl)c1 ZINC000261365920 568819764 /nfs/dbraw/zinc/81/97/64/568819764.db2.gz WFRXKDDLJHNMGG-IBGZPJMESA-O 1 2 413.910 3.816 40 0 HHABLO CC[C@H](C)Nc1nc(Nc2ccccc2I)cc(C2CC2)[nH+]1 ZINC000328964571 568853495 /nfs/dbraw/zinc/85/34/95/568853495.db2.gz BVXRJITULBJGAF-NSHDSACASA-N 1 2 408.287 3.756 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccncc4)ccc2S3(=O)=O)cc1 ZINC000306126296 568889035 /nfs/dbraw/zinc/88/90/35/568889035.db2.gz DRZFOXFVFUDZRQ-GGAORHGYSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccncc4)ccc2S3(=O)=O)cc1 ZINC000306126296 568889036 /nfs/dbraw/zinc/88/90/36/568889036.db2.gz DRZFOXFVFUDZRQ-GGAORHGYSA-N 1 2 406.507 3.513 40 0 HHABLO COc1cccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)c1 ZINC000306126361 568889100 /nfs/dbraw/zinc/88/91/00/568889100.db2.gz DTKJXRQRAMPWGY-IRLDBZIGSA-N 1 2 424.497 3.652 40 0 HHABLO COc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)c1 ZINC000306126361 568889101 /nfs/dbraw/zinc/88/91/01/568889101.db2.gz DTKJXRQRAMPWGY-IRLDBZIGSA-N 1 2 424.497 3.652 40 0 HHABLO Cc1ccccc1C(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306134294 568896400 /nfs/dbraw/zinc/89/64/00/568896400.db2.gz NHZYTYBOGGXODR-SQJMNOBHSA-N 1 2 420.557 3.641 40 0 HHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccc(C)n5)CCN4C)nnn3c2)cc1 ZINC000306137599 568899589 /nfs/dbraw/zinc/89/95/89/568899589.db2.gz RAXRTFFTPNZYNV-DEOSSOPVSA-N 1 2 412.541 3.897 40 0 HHABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccc(C)n5)CCN4C)nnn3c2)cc1 ZINC000306137599 568899591 /nfs/dbraw/zinc/89/95/91/568899591.db2.gz RAXRTFFTPNZYNV-DEOSSOPVSA-N 1 2 412.541 3.897 40 0 HHABLO Cc1cccc(CN2CCC[C@]3(C[N@H+](Cc4ccc(O)cc4)CC(F)(F)C3)C2=O)n1 ZINC000306140535 568902289 /nfs/dbraw/zinc/90/22/89/568902289.db2.gz UWPXDMDXQQKBME-QFIPXVFZSA-N 1 2 415.484 3.746 40 0 HHABLO Cc1cccc(CN2CCC[C@]3(C[N@@H+](Cc4ccc(O)cc4)CC(F)(F)C3)C2=O)n1 ZINC000306140535 568902291 /nfs/dbraw/zinc/90/22/91/568902291.db2.gz UWPXDMDXQQKBME-QFIPXVFZSA-N 1 2 415.484 3.746 40 0 HHABLO Cc1cc(CN2CCC[C@@]3(C[N@H+](Cc4cccc(C)c4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306142245 568903745 /nfs/dbraw/zinc/90/37/45/568903745.db2.gz WUNOLCXACOITDD-JOCHJYFZSA-N 1 2 416.516 3.687 40 0 HHABLO Cc1cc(CN2CCC[C@@]3(C[N@@H+](Cc4cccc(C)c4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306142245 568903746 /nfs/dbraw/zinc/90/37/46/568903746.db2.gz WUNOLCXACOITDD-JOCHJYFZSA-N 1 2 416.516 3.687 40 0 HHABLO COc1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cc1 ZINC000306145153 568906568 /nfs/dbraw/zinc/90/65/68/568906568.db2.gz ZZRUDUSQVPJOBN-QHCPKHFHSA-N 1 2 400.482 3.978 40 0 HHABLO COc1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cc1 ZINC000306145153 568906570 /nfs/dbraw/zinc/90/65/70/568906570.db2.gz ZZRUDUSQVPJOBN-QHCPKHFHSA-N 1 2 400.482 3.978 40 0 HHABLO CCn1cc(-c2cc(C(=O)N3CC[NH+](Cc4ccco4)CC3)c3ccccc3n2)cn1 ZINC000054975068 568923546 /nfs/dbraw/zinc/92/35/46/568923546.db2.gz YQKFNJSUZWQAQM-UHFFFAOYSA-N 1 2 415.497 3.669 40 0 HHABLO Cc1c(Br)cccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000328961580 568969918 /nfs/dbraw/zinc/96/99/18/568969918.db2.gz BEAWBOJRDANBPK-ZDUSSCGKSA-N 1 2 413.319 3.595 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C)o1 ZINC000261364262 569413625 /nfs/dbraw/zinc/41/36/25/569413625.db2.gz KGTWCHCBUIWBSR-FQEVSTJZSA-O 1 2 411.507 3.844 40 0 HHABLO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000049169115 291250042 /nfs/dbraw/zinc/25/00/42/291250042.db2.gz VXHWKPCNRJYQJP-AWEZNQCLSA-N 1 2 406.454 3.889 40 0 biogenic,in-vitro HHABLO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)nc2c1 ZINC000049169115 291250049 /nfs/dbraw/zinc/25/00/49/291250049.db2.gz VXHWKPCNRJYQJP-AWEZNQCLSA-N 1 2 406.454 3.889 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)NC3CCCCC3)n2)cc1 ZINC000015675987 291254321 /nfs/dbraw/zinc/25/43/21/291254321.db2.gz HVDCUDILOLIJHA-IBGZPJMESA-N 1 2 422.489 3.610 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)NC3CCCCC3)n2)cc1 ZINC000015675987 291254323 /nfs/dbraw/zinc/25/43/23/291254323.db2.gz HVDCUDILOLIJHA-IBGZPJMESA-N 1 2 422.489 3.610 40 0 biogenic,in-vitro HHABLO Cn1c(C[N@@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000096269019 291257712 /nfs/dbraw/zinc/25/77/12/291257712.db2.gz FOFULUQCIYTQII-QGZVFWFLSA-N 1 2 405.420 3.872 40 0 biogenic,in-vitro HHABLO Cn1c(C[N@H+]2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000096269019 291257717 /nfs/dbraw/zinc/25/77/17/291257717.db2.gz FOFULUQCIYTQII-QGZVFWFLSA-N 1 2 405.420 3.872 40 0 biogenic,in-vitro HHABLO Cn1ccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012143386 132354947 /nfs/dbraw/zinc/35/49/47/132354947.db2.gz ILYOBUXEGLDDOR-OAQYLSRUSA-N 1 2 414.912 3.617 40 0 HHABLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccncc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753301 558272476 /nfs/dbraw/zinc/27/24/76/558272476.db2.gz JIUJKVNUGAEXQW-NRFANRHFSA-N 1 2 405.477 3.586 40 0 HHABLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccncc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753301 558272479 /nfs/dbraw/zinc/27/24/79/558272479.db2.gz JIUJKVNUGAEXQW-NRFANRHFSA-N 1 2 405.477 3.586 40 0 HHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)s1 ZINC000019762253 558277161 /nfs/dbraw/zinc/27/71/61/558277161.db2.gz BYZOVLFJSRNIQV-OAQYLSRUSA-N 1 2 410.543 3.711 40 0 HHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)s1 ZINC000019762253 558277162 /nfs/dbraw/zinc/27/71/62/558277162.db2.gz BYZOVLFJSRNIQV-OAQYLSRUSA-N 1 2 410.543 3.711 40 0 HHABLO COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)c1 ZINC000012116459 558328602 /nfs/dbraw/zinc/32/86/02/558328602.db2.gz RMLUZGROFPWSFN-DLBZAZTESA-N 1 2 422.529 3.684 40 0 HHABLO CCOc1cc(C[N@@H+]2CC[C@@H](c3cc4nc(C)c(CC)c(=O)n4[nH]3)C2)ccc1OC ZINC000012276379 558364218 /nfs/dbraw/zinc/36/42/18/558364218.db2.gz SWZFHOMWXQLCPW-QGZVFWFLSA-N 1 2 410.518 3.703 40 0 HHABLO CCOc1cc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(CC)c(=O)n4[nH]3)C2)ccc1OC ZINC000012276379 558364219 /nfs/dbraw/zinc/36/42/19/558364219.db2.gz SWZFHOMWXQLCPW-QGZVFWFLSA-N 1 2 410.518 3.703 40 0 HHABLO CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020452405 558366538 /nfs/dbraw/zinc/36/65/38/558366538.db2.gz IUGJVMUXXSDCAK-HXUWFJFHSA-N 1 2 410.514 3.534 40 0 HHABLO O=C(NCCSCc1ccccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020461186 558373061 /nfs/dbraw/zinc/37/30/61/558373061.db2.gz QLXJEHGPLMHMNX-UHFFFAOYSA-N 1 2 404.963 3.835 40 0 HHABLO Cc1cc(-c2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2-c2cccs2)on1 ZINC000019124067 558844294 /nfs/dbraw/zinc/84/42/94/558844294.db2.gz IYKQUYBALQGPOM-UHFFFAOYSA-N 1 2 404.499 3.890 40 0 HHABLO O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000019369462 558878010 /nfs/dbraw/zinc/87/80/10/558878010.db2.gz ZXLJAQLFVHEZLL-RPWUZVMVSA-N 1 2 410.533 3.865 40 0 HHABLO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c(OC)c1 ZINC000019552319 558915839 /nfs/dbraw/zinc/91/58/39/558915839.db2.gz PLALAACMFLPRQF-HXUWFJFHSA-N 1 2 406.486 3.989 40 0 HHABLO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c(OC)c1 ZINC000019552319 558915843 /nfs/dbraw/zinc/91/58/43/558915843.db2.gz PLALAACMFLPRQF-HXUWFJFHSA-N 1 2 406.486 3.989 40 0 HHABLO O[C@H](c1nccs1)c1ccccc1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000072340515 558939029 /nfs/dbraw/zinc/93/90/29/558939029.db2.gz JDAWNDFZDSTIRJ-FQEVSTJZSA-N 1 2 401.482 3.825 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cn(C)c3ccccc23)CCO1 ZINC000072370234 558956618 /nfs/dbraw/zinc/95/66/18/558956618.db2.gz POJKYQVJFGWZDJ-LJQANCHMSA-N 1 2 420.538 3.721 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cn(C)c3ccccc23)CCO1 ZINC000072370234 558956620 /nfs/dbraw/zinc/95/66/20/558956620.db2.gz POJKYQVJFGWZDJ-LJQANCHMSA-N 1 2 420.538 3.721 40 0 HHABLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)cc1C ZINC000019697616 558965337 /nfs/dbraw/zinc/96/53/37/558965337.db2.gz XJCZZGRKECCKOJ-HXUWFJFHSA-N 1 2 424.566 3.814 40 0 HHABLO Cc1ccc(C[N@H+]2CCO[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)cc1C ZINC000019697616 558965339 /nfs/dbraw/zinc/96/53/39/558965339.db2.gz XJCZZGRKECCKOJ-HXUWFJFHSA-N 1 2 424.566 3.814 40 0 HHABLO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(C)c3c(n2)N(C)CCC3)cc1CO ZINC000019706816 558969080 /nfs/dbraw/zinc/96/90/80/558969080.db2.gz PRNCBXKPAXTULA-OAQYLSRUSA-N 1 2 410.562 3.786 40 0 HHABLO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(C)c3c(n2)N(C)CCC3)cc1CO ZINC000019706816 558969081 /nfs/dbraw/zinc/96/90/81/558969081.db2.gz PRNCBXKPAXTULA-OAQYLSRUSA-N 1 2 410.562 3.786 40 0 HHABLO Cc1cccn2cc(-c3cccc(NC(=O)Cn4c(C)nc5ccccc5c4=O)c3)[nH+]c12 ZINC000019715237 558975925 /nfs/dbraw/zinc/97/59/25/558975925.db2.gz DTJHJBXDGMWOEV-UHFFFAOYSA-N 1 2 423.476 3.967 40 0 HHABLO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000019718464 558981745 /nfs/dbraw/zinc/98/17/45/558981745.db2.gz XJWRZYGCCMUOMQ-GOSISDBHSA-N 1 2 406.530 3.655 40 0 HHABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccccc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106863 559029134 /nfs/dbraw/zinc/02/91/34/559029134.db2.gz KGRHTXKICLFCQR-BWKNWUBXSA-N 1 2 420.557 3.722 40 0 HHABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccccc3)C[C@@]23CCCN(CC2CC2)C3=O)c1 ZINC000585106864 559029264 /nfs/dbraw/zinc/02/92/64/559029264.db2.gz KGRHTXKICLFCQR-OFVILXPXSA-N 1 2 420.557 3.722 40 0 HHABLO CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000017093633 559122704 /nfs/dbraw/zinc/12/27/04/559122704.db2.gz SXGOXMVNVOLPGR-UHFFFAOYSA-N 1 2 423.536 3.945 40 0 HHABLO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 ZINC000118917664 559205723 /nfs/dbraw/zinc/20/57/23/559205723.db2.gz ZFVBYRDTMKLTPA-AEHBTCDJSA-N 1 2 415.574 3.639 40 0 HHABLO COc1cccc(-c2cccc(CC3(C(=O)NCCn4cc[nH+]c4)CCOCC3)c2)c1 ZINC000257308028 559286252 /nfs/dbraw/zinc/28/62/52/559286252.db2.gz TVCZQROFQOLNJR-UHFFFAOYSA-N 1 2 419.525 3.714 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000909459 560546021 /nfs/dbraw/zinc/54/60/21/560546021.db2.gz QNBNRELXQFLWDR-HXUWFJFHSA-N 1 2 408.550 3.789 40 0 HHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000001346342 560576408 /nfs/dbraw/zinc/57/64/08/560576408.db2.gz YKQJERZMVBHXJV-UHFFFAOYSA-N 1 2 418.478 3.870 40 0 HHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000004160575 560601563 /nfs/dbraw/zinc/60/15/63/560601563.db2.gz AOBNFHJTPHGWFG-KKSFZXQISA-N 1 2 406.534 3.759 40 0 HHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000004160575 560601564 /nfs/dbraw/zinc/60/15/64/560601564.db2.gz AOBNFHJTPHGWFG-KKSFZXQISA-N 1 2 406.534 3.759 40 0 HHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502040 560873877 /nfs/dbraw/zinc/87/38/77/560873877.db2.gz QXLJMIWCZRGXKU-UGCAPWQASA-N 1 2 420.509 3.547 40 0 HHABLO CCc1ccc(OCc2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)cc1 ZINC000019522913 560874549 /nfs/dbraw/zinc/87/45/49/560874549.db2.gz ZSXREDOTPQASMJ-UHFFFAOYSA-N 1 2 424.570 3.833 40 0 HHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670901 568494851 /nfs/dbraw/zinc/49/48/51/568494851.db2.gz ANEVYSFZNGFIKR-QFIPXVFZSA-N 1 2 420.561 3.620 40 0 HHABLO Cc1cc(C)c2cc3c(nc2c1)OCC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C3 ZINC000057718947 568496104 /nfs/dbraw/zinc/49/61/04/568496104.db2.gz SSHWLEKDEBXNKH-UHFFFAOYSA-N 1 2 415.493 3.732 40 0 HHABLO Cc1cc(C)c2cc3c(nc2c1)OCC[N@H+](CCCN1C(=O)c2ccccc2C1=O)C3 ZINC000057718947 568496105 /nfs/dbraw/zinc/49/61/05/568496105.db2.gz SSHWLEKDEBXNKH-UHFFFAOYSA-N 1 2 415.493 3.732 40 0 HHABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000223894713 568562428 /nfs/dbraw/zinc/56/24/28/568562428.db2.gz WVMYYZXSPILWSJ-UHFFFAOYSA-N 1 2 407.543 3.597 40 0 HHABLO CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C)C3)cc1OCC ZINC000225064776 568612003 /nfs/dbraw/zinc/61/20/03/568612003.db2.gz RDRYXGNRYKHMQH-UHFFFAOYSA-N 1 2 418.515 3.572 40 0 HHABLO CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C)C3)cc1OCC ZINC000225064776 568612006 /nfs/dbraw/zinc/61/20/06/568612006.db2.gz RDRYXGNRYKHMQH-UHFFFAOYSA-N 1 2 418.515 3.572 40 0 HHABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225515736 568645753 /nfs/dbraw/zinc/64/57/53/568645753.db2.gz QVJCCJMNBCBLBS-UHFFFAOYSA-N 1 2 412.505 3.987 40 0 HHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000225582810 568653997 /nfs/dbraw/zinc/65/39/97/568653997.db2.gz IMODYQUCOQMESB-JCMHNJIXSA-N 1 2 412.449 3.553 40 0 HHABLO Cc1cc(C)cc(OC[C@@H](C)Nc2cc(-c3c4c(nn3C)CCCC4)[nH+]c(N)n2)c1 ZINC000257205467 568777715 /nfs/dbraw/zinc/77/77/15/568777715.db2.gz AZESUEPBMNUFKD-MRXNPFEDSA-N 1 2 406.534 3.834 40 0 HHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1Oc1ccccc1 ZINC000257229136 568784707 /nfs/dbraw/zinc/78/47/07/568784707.db2.gz FWUGOUJGMRCCTM-ICSRJNTNSA-N 1 2 408.420 3.548 40 0 HHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)CC[C@@H]1Oc1ccccc1 ZINC000257229136 568784710 /nfs/dbraw/zinc/78/47/10/568784710.db2.gz FWUGOUJGMRCCTM-ICSRJNTNSA-N 1 2 408.420 3.548 40 0 HHABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)nc1 ZINC000257246099 568789043 /nfs/dbraw/zinc/78/90/43/568789043.db2.gz ISMRAJZKDKVUTP-OAQYLSRUSA-N 1 2 421.476 3.680 40 0 HHABLO Cc1cc(Nc2cc(C3CC[NH+](CC(=O)Nc4ccccc4F)CC3)nc(C)n2)n[nH]1 ZINC000257247129 568789528 /nfs/dbraw/zinc/78/95/28/568789528.db2.gz IXQIQVAONRYGBQ-UHFFFAOYSA-N 1 2 423.496 3.517 40 0 HHABLO Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257250428 568790507 /nfs/dbraw/zinc/79/05/07/568790507.db2.gz JMMMQUKTMCMJSR-GOSISDBHSA-N 1 2 424.530 3.519 40 0 HHABLO COc1cccc(OCCc2cc([C@H]3C[N@H+](Cc4cccc(C)c4)CCO3)n[nH]2)c1 ZINC000257283182 568799328 /nfs/dbraw/zinc/79/93/28/568799328.db2.gz OXCAFXJFFHJHSM-XMMPIXPASA-N 1 2 407.514 3.922 40 0 HHABLO COc1cccc(OCCc2cc([C@H]3C[N@@H+](Cc4cccc(C)c4)CCO3)n[nH]2)c1 ZINC000257283182 568799330 /nfs/dbraw/zinc/79/93/30/568799330.db2.gz OXCAFXJFFHJHSM-XMMPIXPASA-N 1 2 407.514 3.922 40 0 HHABLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257304028 568805694 /nfs/dbraw/zinc/80/56/94/568805694.db2.gz SJULANHSKRTKCI-UGKGYDQZSA-N 1 2 402.922 3.800 40 0 HHABLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257304028 568805696 /nfs/dbraw/zinc/80/56/96/568805696.db2.gz SJULANHSKRTKCI-UGKGYDQZSA-N 1 2 402.922 3.800 40 0 HHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2cccc3c2CCCC3)CC[C@@H]1Oc1cccc(F)c1 ZINC000257312305 568807961 /nfs/dbraw/zinc/80/79/61/568807961.db2.gz UNHZCIJESKXDKO-UPVQGACJSA-N 1 2 412.505 3.547 40 0 HHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2cccc3c2CCCC3)CC[C@@H]1Oc1cccc(F)c1 ZINC000257312305 568807964 /nfs/dbraw/zinc/80/79/64/568807964.db2.gz UNHZCIJESKXDKO-UPVQGACJSA-N 1 2 412.505 3.547 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C=Cc1ccccc1 ZINC000261363706 568819531 /nfs/dbraw/zinc/81/95/31/568819531.db2.gz HSZNVWXGDSIBNX-JKIKYLSZSA-O 1 2 405.503 3.827 40 0 HHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(C)s1 ZINC000261365673 568819799 /nfs/dbraw/zinc/81/97/99/568819799.db2.gz UNUGNASRMDSTLX-IBGZPJMESA-O 1 2 413.548 3.922 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306130212 568892724 /nfs/dbraw/zinc/89/27/24/568892724.db2.gz IZGSSPLEIWJBTC-FPOVZHCZSA-N 1 2 412.461 3.782 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306130212 568892726 /nfs/dbraw/zinc/89/27/26/568892726.db2.gz IZGSSPLEIWJBTC-FPOVZHCZSA-N 1 2 412.461 3.782 40 0 HHABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1ccncc1)CC21CCN(c2ncccn2)CC1 ZINC000306136462 568898221 /nfs/dbraw/zinc/89/82/21/568898221.db2.gz PUGIDXSNGWZUTO-UHFFFAOYSA-N 1 2 417.561 3.511 40 0 HHABLO O=C1N(Cc2cccnc2)c2ccccc2NC12CC[NH+](Cc1nccs1)CC2 ZINC000306136560 568898375 /nfs/dbraw/zinc/89/83/75/568898375.db2.gz PXBZWBHYAZNLSR-UHFFFAOYSA-N 1 2 405.527 3.532 40 0 HHABLO Cc1ccc(C(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306141932 568903492 /nfs/dbraw/zinc/90/34/92/568903492.db2.gz WKQPEWNCMNYIQN-PXDATVDWSA-N 1 2 420.557 3.641 40 0 HHABLO Cc1ccc(C(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306141930 568903527 /nfs/dbraw/zinc/90/35/27/568903527.db2.gz WKQPEWNCMNYIQN-BWKNWUBXSA-N 1 2 420.557 3.641 40 0 HHABLO CNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328959330 568969819 /nfs/dbraw/zinc/96/98/19/568969819.db2.gz ATCWNHZNUDEGOQ-UHFFFAOYSA-N 1 2 410.346 3.818 40 0 HHABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1C(F)(F)F ZINC000329025676 568973519 /nfs/dbraw/zinc/97/35/19/568973519.db2.gz PHSIJIFTYPLUJS-UHFFFAOYSA-N 1 2 418.419 3.553 40 0 HHABLO CNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329058499 568974968 /nfs/dbraw/zinc/97/49/68/568974968.db2.gz WDIWOEFXYDIMCC-UHFFFAOYSA-N 1 2 410.346 3.818 40 0 HHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cc4ccc(OC)cc4)cn3)C2)c(C)n1 ZINC000019692373 569345999 /nfs/dbraw/zinc/34/59/99/569345999.db2.gz UUZSLEUAQBRBOO-XMMPIXPASA-N 1 2 406.530 3.779 40 0 HHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(Cc4ccc(OC)cc4)cn3)C2)c(C)n1 ZINC000019692373 569346000 /nfs/dbraw/zinc/34/60/00/569346000.db2.gz UUZSLEUAQBRBOO-XMMPIXPASA-N 1 2 406.530 3.779 40 0 HHABLO Cn1ccnc1C1(O)CC[NH+](CC(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000012114624 132354265 /nfs/dbraw/zinc/35/42/65/132354265.db2.gz FWJOMCJXDYQJEI-UHFFFAOYSA-N 1 2 420.538 3.533 40 0 HHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072379033 522578512 /nfs/dbraw/zinc/57/85/12/522578512.db2.gz QTEXBXDXAOMQDO-QGZVFWFLSA-N 1 2 408.477 3.754 40 0 HHABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1Cl ZINC000044950059 525065955 /nfs/dbraw/zinc/06/59/55/525065955.db2.gz MJFGCTVFZVEADU-UHFFFAOYSA-N 1 2 412.298 3.666 40 0 HHABLO Cc1ccccc1CSC1=[NH+][C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 ZINC000032508738 525181135 /nfs/dbraw/zinc/18/11/35/525181135.db2.gz LPQQPGAMWKHYPU-OALUTQOASA-N 1 2 420.987 3.919 40 0 HHABLO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCOCC3)cc1)CC(C)(C)O2 ZINC000044855563 525573353 /nfs/dbraw/zinc/57/33/53/525573353.db2.gz YPRYGPBMGUPWSW-NRFANRHFSA-N 1 2 410.514 3.560 40 0 HHABLO CCOc1cc(Cn2c[nH+]cc2-c2sc(N3CCOCC3)nc2C)ccc1OC ZINC000019719415 558257927 /nfs/dbraw/zinc/25/79/27/558257927.db2.gz OPVKRNSQMWFQRS-UHFFFAOYSA-N 1 2 414.531 3.607 40 0 HHABLO COc1ccc(C[N@@H+](Cc2[nH]nnc2-c2ccccc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012116780 558328487 /nfs/dbraw/zinc/32/84/87/558328487.db2.gz AGLYFQSBRMZGIB-FQEVSTJZSA-N 1 2 408.502 3.670 40 0 HHABLO COc1ccc(C[N@H+](Cc2[nH]nnc2-c2ccccc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012116780 558328493 /nfs/dbraw/zinc/32/84/93/558328493.db2.gz AGLYFQSBRMZGIB-FQEVSTJZSA-N 1 2 408.502 3.670 40 0 HHABLO COc1ccc(C[N@@H+](Cc2coc3ccccc3c2=O)C[C@H]2CCCO2)c(OC)c1 ZINC000012187206 558345900 /nfs/dbraw/zinc/34/59/00/558345900.db2.gz LFYXRISDXXFMAP-HXUWFJFHSA-N 1 2 409.482 3.991 40 0 HHABLO COc1ccc(C[N@H+](Cc2coc3ccccc3c2=O)C[C@H]2CCCO2)c(OC)c1 ZINC000012187206 558345903 /nfs/dbraw/zinc/34/59/03/558345903.db2.gz LFYXRISDXXFMAP-HXUWFJFHSA-N 1 2 409.482 3.991 40 0 HHABLO Cc1cc2c(cc1C[NH+]1CCC(c3ncc(Cl)cc3S(C)(=O)=O)CC1)OCO2 ZINC000012186975 558345982 /nfs/dbraw/zinc/34/59/82/558345982.db2.gz WDLKXUZHKXNCSD-UHFFFAOYSA-N 1 2 422.934 3.555 40 0 HHABLO COc1ccc(OC)c(C[N@@H+](Cc2coc3ccccc3c2=O)C[C@@H]2CCCO2)c1 ZINC000012187489 558346229 /nfs/dbraw/zinc/34/62/29/558346229.db2.gz XYESUOYDKVBREQ-FQEVSTJZSA-N 1 2 409.482 3.991 40 0 HHABLO COc1ccc(OC)c(C[N@H+](Cc2coc3ccccc3c2=O)C[C@@H]2CCCO2)c1 ZINC000012187489 558346232 /nfs/dbraw/zinc/34/62/32/558346232.db2.gz XYESUOYDKVBREQ-FQEVSTJZSA-N 1 2 409.482 3.991 40 0 HHABLO CCn1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)c2cc(C)ccc21 ZINC000022234756 558470298 /nfs/dbraw/zinc/47/02/98/558470298.db2.gz CZDABRKUNZVCFT-JXMROGBWSA-N 1 2 415.537 3.801 40 0 HHABLO Cc1nc(C(F)(F)F)ccc1C(=O)N(C)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000036752288 558802845 /nfs/dbraw/zinc/80/28/45/558802845.db2.gz GYVGVKNKPBGLFY-SFHVURJKSA-N 1 2 407.436 3.554 40 0 HHABLO Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000019570175 558929032 /nfs/dbraw/zinc/92/90/32/558929032.db2.gz GFOYCVXXROTMNE-IBGZPJMESA-N 1 2 419.529 3.851 40 0 HHABLO CCn1ccnc1C[N@@H+]1CCN(C)C(=O)[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000019578109 558933765 /nfs/dbraw/zinc/93/37/65/558933765.db2.gz PWHZWWIQZVFCPS-QFIPXVFZSA-N 1 2 420.532 3.842 40 0 HHABLO CCn1ccnc1C[N@H+]1CCN(C)C(=O)[C@@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000019578109 558933766 /nfs/dbraw/zinc/93/37/66/558933766.db2.gz PWHZWWIQZVFCPS-QFIPXVFZSA-N 1 2 420.532 3.842 40 0 HHABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1 ZINC000072350627 558947621 /nfs/dbraw/zinc/94/76/21/558947621.db2.gz SNKOIIUKDZZATL-LJQANCHMSA-N 1 2 419.529 3.572 40 0 HHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@@H+]3Cc3cccnc3)nn2c1C ZINC000072351280 558947672 /nfs/dbraw/zinc/94/76/72/558947672.db2.gz BGANPUVPXHKXSG-JOCHJYFZSA-N 1 2 420.561 3.537 40 0 HHABLO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@H+]3Cc3cccnc3)nn2c1C ZINC000072351280 558947674 /nfs/dbraw/zinc/94/76/74/558947674.db2.gz BGANPUVPXHKXSG-JOCHJYFZSA-N 1 2 420.561 3.537 40 0 HHABLO COc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-n3cc[nH+]c3C(C)C)C2)cc1 ZINC000072350658 558947680 /nfs/dbraw/zinc/94/76/80/558947680.db2.gz GGEQUQJVGIGNFB-LJQANCHMSA-N 1 2 419.529 3.743 40 0 HHABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CCCN2C(=O)c2c(C)cc(C)n(C)c2=O)nc1 ZINC000072353133 558949689 /nfs/dbraw/zinc/94/96/89/558949689.db2.gz YBSTZDSCQGNTDO-HXUWFJFHSA-N 1 2 417.513 3.821 40 0 HHABLO Cc1nonc1NC(=O)C[N@@H+]1CCC[C@@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072353918 558951114 /nfs/dbraw/zinc/95/11/14/558951114.db2.gz HFAPGTAMECASNX-OAQYLSRUSA-N 1 2 419.529 3.799 40 0 HHABLO Cc1nonc1NC(=O)C[N@H+]1CCC[C@@H](c2cc(Cc3cccc(C)c3)cc(C)n2)C1 ZINC000072353918 558951117 /nfs/dbraw/zinc/95/11/17/558951117.db2.gz HFAPGTAMECASNX-OAQYLSRUSA-N 1 2 419.529 3.799 40 0 HHABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)[nH+]2)C1 ZINC000072353899 558951175 /nfs/dbraw/zinc/95/11/75/558951175.db2.gz JUNYEWJGNWIRNM-HXUWFJFHSA-N 1 2 419.566 3.886 40 0 HHABLO CC(C)c1[nH+]ccn1-c1cncc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000072355371 558952622 /nfs/dbraw/zinc/95/26/22/558952622.db2.gz PLJCPPONQCFIEH-UHFFFAOYSA-N 1 2 407.493 3.874 40 0 HHABLO Cc1c(-c2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c3ccccc3n2)cnn1C ZINC000019664299 558954819 /nfs/dbraw/zinc/95/48/19/558954819.db2.gz JVLVKQDBMCEWPM-UHFFFAOYSA-N 1 2 418.526 3.640 40 0 HHABLO Cc1c(-c2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c3ccccc3n2)cnn1C ZINC000019664299 558954822 /nfs/dbraw/zinc/95/48/22/558954822.db2.gz JVLVKQDBMCEWPM-UHFFFAOYSA-N 1 2 418.526 3.640 40 0 HHABLO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n[nH]2)c1 ZINC000072371675 558958647 /nfs/dbraw/zinc/95/86/47/558958647.db2.gz UURVOAMNGWIXOS-CQSZACIVSA-N 1 2 405.424 3.763 40 0 HHABLO FC(F)(F)c1cccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n[nH]2)c1 ZINC000072371675 558958649 /nfs/dbraw/zinc/95/86/49/558958649.db2.gz UURVOAMNGWIXOS-CQSZACIVSA-N 1 2 405.424 3.763 40 0 HHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000019697672 558965316 /nfs/dbraw/zinc/96/53/16/558965316.db2.gz XNFAYMYXTKNSBH-SFHVURJKSA-N 1 2 412.559 3.655 40 0 HHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000019697672 558965319 /nfs/dbraw/zinc/96/53/19/558965319.db2.gz XNFAYMYXTKNSBH-SFHVURJKSA-N 1 2 412.559 3.655 40 0 HHABLO CCOc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccc(NC(C)=O)cc4)n3CC2)cc1 ZINC000585111543 559030555 /nfs/dbraw/zinc/03/05/55/559030555.db2.gz VCWIBOYHZWUGCM-UHFFFAOYSA-N 1 2 418.497 3.606 40 0 HHABLO Cc1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CCn3cc[nH+]c3)CC2)n1 ZINC000100728386 559138617 /nfs/dbraw/zinc/13/86/17/559138617.db2.gz MWMUABRFELVNJP-KDURUIRLSA-N 1 2 404.518 3.524 40 0 HHABLO COc1ccccc1C[NH2+][C@H](c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1)C(C)C ZINC000100769456 559140184 /nfs/dbraw/zinc/14/01/84/559140184.db2.gz WERSGTBCFSIPNN-QHCPKHFHSA-N 1 2 410.518 3.824 40 0 HHABLO O=C(NCCc1c[nH+]c[nH]1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257232173 559283874 /nfs/dbraw/zinc/28/38/74/559283874.db2.gz GJSDMPUOTSLBFA-UHFFFAOYSA-N 1 2 407.489 3.914 40 0 HHABLO O=C(NCCc1c[nH]c[nH+]1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257232173 559283875 /nfs/dbraw/zinc/28/38/75/559283875.db2.gz GJSDMPUOTSLBFA-UHFFFAOYSA-N 1 2 407.489 3.914 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000908903 560545904 /nfs/dbraw/zinc/54/59/04/560545904.db2.gz PEOLPPLLLOWOPT-HXUWFJFHSA-N 1 2 408.550 3.789 40 0 HHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000001224755 560572673 /nfs/dbraw/zinc/57/26/73/560572673.db2.gz CGSLSZAPCLKDFL-OAQYLSRUSA-N 1 2 422.533 3.604 40 0 HHABLO C[C@@H]1CCCN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2Cl)C1 ZINC000001346478 560576480 /nfs/dbraw/zinc/57/64/80/560576480.db2.gz VWCYFPINXKRTFG-CYBMUJFWSA-N 1 2 401.923 3.820 40 0 HHABLO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1C=C(O)NC(Nc2ccc(F)cc2)=[NH+]1 ZINC000014607658 560847115 /nfs/dbraw/zinc/84/71/15/560847115.db2.gz FEAIETGSAKBXFK-FQEVSTJZSA-N 1 2 418.428 3.913 40 0 HHABLO CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216389521 568464958 /nfs/dbraw/zinc/46/49/58/568464958.db2.gz NQTTVXIZYQHDTL-IBGZPJMESA-N 1 2 416.905 3.571 40 0 HHABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670795 568494826 /nfs/dbraw/zinc/49/48/26/568494826.db2.gz JXJZSIDSLZGFNZ-NRFANRHFSA-N 1 2 412.488 3.663 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1 ZINC000057670648 568494835 /nfs/dbraw/zinc/49/48/35/568494835.db2.gz FDTFSROZSMGVLE-QHCPKHFHSA-N 1 2 404.562 3.858 40 0 HHABLO COc1ccccc1N1CC[NH+]([C@@H](CC(C)C)c2nnnn2Cc2ccccc2)CC1 ZINC000057670699 568494899 /nfs/dbraw/zinc/49/48/99/568494899.db2.gz CJEIIQJUHPIWLY-QFIPXVFZSA-N 1 2 420.561 3.639 40 0 HHABLO COC(=O)c1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)ccc1Cl ZINC000224977537 568607144 /nfs/dbraw/zinc/60/71/44/568607144.db2.gz NLBSWHNNRKMZRR-UHFFFAOYSA-N 1 2 408.907 3.918 40 0 HHABLO COc1cc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)c(OC)cc1Cl ZINC000225220695 568624327 /nfs/dbraw/zinc/62/43/27/568624327.db2.gz NYQAYRZOXFIEPQ-UHFFFAOYSA-N 1 2 421.950 3.577 40 0 HHABLO COc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c2cccnc12 ZINC000225779114 568674246 /nfs/dbraw/zinc/67/42/46/568674246.db2.gz CIKKKVLMILEWFH-UHFFFAOYSA-N 1 2 422.554 3.562 40 0 HHABLO Cc1cccc(CNc2cc(-c3cn(C)nc3[C@H]3CCN(C(=O)C4CC4)C3)cc[nH+]2)n1 ZINC000257219386 568781817 /nfs/dbraw/zinc/78/18/17/568781817.db2.gz DGPFHIHMWICNRX-IBGZPJMESA-N 1 2 416.529 3.524 40 0 HHABLO Cc1cc(Nc2cccc([C@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)nn1C ZINC000257223077 568782962 /nfs/dbraw/zinc/78/29/62/568782962.db2.gz DVUKOAHJSGEUAS-JOCHJYFZSA-N 1 2 414.513 3.989 40 0 HHABLO Cc1cc(Nc2cccc([C@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)nn1C ZINC000257223077 568782965 /nfs/dbraw/zinc/78/29/65/568782965.db2.gz DVUKOAHJSGEUAS-JOCHJYFZSA-N 1 2 414.513 3.989 40 0 HHABLO CCCOc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257224382 568783293 /nfs/dbraw/zinc/78/32/93/568783293.db2.gz FBOYGIOBKWXLKR-QFIPXVFZSA-N 1 2 405.502 3.978 40 0 HHABLO CCCOc1ccccc1C[N@H+]1CCO[C@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257224382 568783295 /nfs/dbraw/zinc/78/32/95/568783295.db2.gz FBOYGIOBKWXLKR-QFIPXVFZSA-N 1 2 405.502 3.978 40 0 HHABLO Cc1c(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000257261970 568793318 /nfs/dbraw/zinc/79/33/18/568793318.db2.gz LJMOSQRXHUSAEA-DEOSSOPVSA-N 1 2 423.561 3.770 40 0 HHABLO Cc1c(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cnn1C ZINC000257261970 568793319 /nfs/dbraw/zinc/79/33/19/568793319.db2.gz LJMOSQRXHUSAEA-DEOSSOPVSA-N 1 2 423.561 3.770 40 0 HHABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1OC ZINC000257273732 568796732 /nfs/dbraw/zinc/79/67/32/568796732.db2.gz NHXZODNODXHZAS-VWLOTQADSA-N 1 2 401.510 3.995 40 0 HHABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1OC ZINC000257273732 568796734 /nfs/dbraw/zinc/79/67/34/568796734.db2.gz NHXZODNODXHZAS-VWLOTQADSA-N 1 2 401.510 3.995 40 0 HHABLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000257275301 568797136 /nfs/dbraw/zinc/79/71/36/568797136.db2.gz NOTVNMZRDOPIIN-UNMCSNQZSA-N 1 2 402.922 3.800 40 0 HHABLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000257275301 568797139 /nfs/dbraw/zinc/79/71/39/568797139.db2.gz NOTVNMZRDOPIIN-UNMCSNQZSA-N 1 2 402.922 3.800 40 0 HHABLO COc1cc(C)ccc1CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000257293681 568802703 /nfs/dbraw/zinc/80/27/03/568802703.db2.gz QQRRFEJXRDKCDQ-LJQANCHMSA-N 1 2 405.502 3.737 40 0 HHABLO COc1ccccc1OC[C@H](C)Nc1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N)n1 ZINC000257310429 568807616 /nfs/dbraw/zinc/80/76/16/568807616.db2.gz UFARBOIYNNKCOR-AWEZNQCLSA-N 1 2 410.522 3.645 40 0 HHABLO CCc1ccc(C[N@@H+]2C[C@]3(F)CN(Cc4cccc(OC)c4)C(=O)[C@]3(F)C2)s1 ZINC000306123290 568886467 /nfs/dbraw/zinc/88/64/67/568886467.db2.gz AJHKLBCWPFYQTH-LEWJYISDSA-N 1 2 406.498 3.594 40 0 HHABLO CCc1ccc(C[N@H+]2C[C@]3(F)CN(Cc4cccc(OC)c4)C(=O)[C@]3(F)C2)s1 ZINC000306123290 568886469 /nfs/dbraw/zinc/88/64/69/568886469.db2.gz AJHKLBCWPFYQTH-LEWJYISDSA-N 1 2 406.498 3.594 40 0 HHABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccc(Cl)o1)CCO2 ZINC000306125296 568888203 /nfs/dbraw/zinc/88/82/03/568888203.db2.gz CLMVITGJNGYQAP-HNAYVOBHSA-N 1 2 409.939 3.642 40 0 HHABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(Cl)o1)CCO2 ZINC000306125296 568888205 /nfs/dbraw/zinc/88/82/05/568888205.db2.gz CLMVITGJNGYQAP-HNAYVOBHSA-N 1 2 409.939 3.642 40 0 HHABLO Cc1cccc(C(=O)N2C[C@H](c3cn(C(C)C)c[nH+]3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306130263 568892594 /nfs/dbraw/zinc/89/25/94/568892594.db2.gz JAJFHEHJUODSFB-PXDATVDWSA-N 1 2 420.557 3.641 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306140260 568902044 /nfs/dbraw/zinc/90/20/44/568902044.db2.gz UOFOFPGTCDMVPU-NQIIRXRSSA-N 1 2 412.461 3.782 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000306140260 568902046 /nfs/dbraw/zinc/90/20/46/568902046.db2.gz UOFOFPGTCDMVPU-NQIIRXRSSA-N 1 2 412.461 3.782 40 0 HHABLO CC(C)Nc1nc(Nc2ccc(I)cc2F)cc(C2CC2)[nH+]1 ZINC000328971699 568970622 /nfs/dbraw/zinc/97/06/22/568970622.db2.gz DSTRFCHRKMWWRT-UHFFFAOYSA-N 1 2 412.250 3.505 40 0 HHABLO CC[C@@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000329035343 568973867 /nfs/dbraw/zinc/97/38/67/568973867.db2.gz RDTKKBGFYLAWAR-CQSZACIVSA-N 1 2 412.335 3.967 40 0 HHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000253500014 569317794 /nfs/dbraw/zinc/31/77/94/569317794.db2.gz TUBPMSNWVCYLKJ-YCRPNKLZSA-N 1 2 422.533 3.872 40 0 HHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000253500014 569317795 /nfs/dbraw/zinc/31/77/95/569317795.db2.gz TUBPMSNWVCYLKJ-YCRPNKLZSA-N 1 2 422.533 3.872 40 0 HHABLO O=C(NCCSCc1cccc(Cl)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000020238786 569349538 /nfs/dbraw/zinc/34/95/38/569349538.db2.gz RPYZZZWMKVECMX-UHFFFAOYSA-N 1 2 404.963 3.835 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000261363482 569413590 /nfs/dbraw/zinc/41/35/90/569413590.db2.gz SROOCXLEXJZNBQ-KRWDZBQOSA-O 1 2 417.898 3.589 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(C)n1 ZINC000261364315 569413762 /nfs/dbraw/zinc/41/37/62/569413762.db2.gz KPWQVBTWGODQMR-OAQYLSRUSA-O 1 2 422.534 3.646 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)c(OCC)c1 ZINC000261365678 569413775 /nfs/dbraw/zinc/41/37/75/569413775.db2.gz UONXELRCQBEWQU-LJQANCHMSA-O 1 2 411.507 3.716 40 0 HHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329034280 571306013 /nfs/dbraw/zinc/30/60/13/571306013.db2.gz QXCVPQJBORDNRD-MRXNPFEDSA-N 1 2 409.303 4.428 40 0 HHABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1OC ZINC000329068656 571309206 /nfs/dbraw/zinc/30/92/06/571309206.db2.gz YRMMMPRBKUUIQN-IBGZPJMESA-N 1 2 408.502 4.333 40 0 HHABLO COc1ccc(C(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675784 291254512 /nfs/dbraw/zinc/25/45/12/291254512.db2.gz GZWMYJMRDUQZEP-FQEVSTJZSA-N 1 2 415.453 3.717 40 0 biogenic,in-vitro HHABLO COc1ccc(C(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675784 291254515 /nfs/dbraw/zinc/25/45/15/291254515.db2.gz GZWMYJMRDUQZEP-FQEVSTJZSA-N 1 2 415.453 3.717 40 0 biogenic,in-vitro HHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)NC3CCCCC3)n2)cc1 ZINC000015675806 291257031 /nfs/dbraw/zinc/25/70/31/291257031.db2.gz VSLXITSPSZZEPF-IBGZPJMESA-N 1 2 406.490 3.910 40 0 biogenic,in-vitro HHABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)NC3CCCCC3)n2)cc1 ZINC000015675806 291257034 /nfs/dbraw/zinc/25/70/34/291257034.db2.gz VSLXITSPSZZEPF-IBGZPJMESA-N 1 2 406.490 3.910 40 0 biogenic,in-vitro HHABLO O=C(Nc1cccc(F)c1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707178 291259210 /nfs/dbraw/zinc/25/92/10/291259210.db2.gz ZHFCJNNTNKIBKN-SFHVURJKSA-N 1 2 404.405 3.930 40 0 biogenic,in-vitro HHABLO O=C(Nc1cccc(F)c1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707178 291259213 /nfs/dbraw/zinc/25/92/13/291259213.db2.gz ZHFCJNNTNKIBKN-SFHVURJKSA-N 1 2 404.405 3.930 40 0 biogenic,in-vitro HHABLO Cc1ccc(CSC2=[NH+][C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508698 524641316 /nfs/dbraw/zinc/64/13/16/524641316.db2.gz XHDXFALXXBLLDL-OALUTQOASA-N 1 2 420.987 3.919 40 0 HHABLO O=C(NCCSCc1cccc(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044902274 526371686 /nfs/dbraw/zinc/37/16/86/526371686.db2.gz HNGCOASSSOICNU-UHFFFAOYSA-N 1 2 404.963 3.835 40 0 HHABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccccc3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508677 527314670 /nfs/dbraw/zinc/31/46/70/527314670.db2.gz GVEKCMFINGTPQD-ZWKOTPCHSA-N 1 2 406.960 3.611 40 0 HHABLO O=S1(=O)C[C@H]2[NH+]=C(SCc3ccccc3F)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508755 527315465 /nfs/dbraw/zinc/31/54/65/527315465.db2.gz WCJUPGQZVWFSSL-QZTJIDSGSA-N 1 2 424.950 3.750 40 0 HHABLO COc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000408578828 557472604 /nfs/dbraw/zinc/47/26/04/557472604.db2.gz ZMVHEYRQBJYRKH-UHFFFAOYSA-N 1 2 420.962 3.525 40 0 HHABLO COc1cc(NC(=O)Nc2ccccc2)c(OC)cc1NC(=O)C[NH+]1CCCCC1 ZINC000004231863 557530610 /nfs/dbraw/zinc/53/06/10/557530610.db2.gz ZYPTVUFGLWEFFM-UHFFFAOYSA-N 1 2 412.490 3.772 40 0 HHABLO Cc1nn(C)cc1CN1CCn2c([nH+]c(-c3ccc(N(C)C)cc3)c2NC(C)(C)C)C1 ZINC000012116010 558328145 /nfs/dbraw/zinc/32/81/45/558328145.db2.gz URDVKULQJUUKTM-UHFFFAOYSA-N 1 2 421.593 3.884 40 0 HHABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(Cc2cnn(C)c2C)C3)cc1 ZINC000012116184 558328277 /nfs/dbraw/zinc/32/82/77/558328277.db2.gz MDUAXEYUKCQFHB-UHFFFAOYSA-N 1 2 408.550 3.827 40 0 HHABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000012116426 558328598 /nfs/dbraw/zinc/32/85/98/558328598.db2.gz ODSWNYOIAXHLDR-GOSISDBHSA-N 1 2 401.514 3.630 40 0 HHABLO Cc1nc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000020633911 558395491 /nfs/dbraw/zinc/39/54/91/558395491.db2.gz HKVSMAITXCKKML-UHFFFAOYSA-N 1 2 420.557 3.833 40 0 HHABLO O=C(CCc1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000028273973 558693947 /nfs/dbraw/zinc/69/39/47/558693947.db2.gz WGQCGTBCOMMUIG-UHFFFAOYSA-N 1 2 421.324 3.999 40 0 HHABLO C[C@@H](C[NH+]1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000036613938 558726870 /nfs/dbraw/zinc/72/68/70/558726870.db2.gz VHCVXBKIIHCMIW-LBPRGKRZSA-N 1 2 400.832 3.948 40 0 HHABLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1CO ZINC000019116862 558842119 /nfs/dbraw/zinc/84/21/19/558842119.db2.gz AYLWZIHSIFJGPS-QGZVFWFLSA-N 1 2 420.435 3.895 40 0 HHABLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1CO ZINC000019116862 558842120 /nfs/dbraw/zinc/84/21/20/558842120.db2.gz AYLWZIHSIFJGPS-QGZVFWFLSA-N 1 2 420.435 3.895 40 0 HHABLO Cc1nc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240393 558859001 /nfs/dbraw/zinc/85/90/01/558859001.db2.gz OSSVXKXMBXUIST-SJKOYZFVSA-N 1 2 400.552 3.578 40 0 HHABLO Cc1nc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240395 558859020 /nfs/dbraw/zinc/85/90/20/558859020.db2.gz OSSVXKXMBXUIST-PXAZEXFGSA-N 1 2 400.552 3.578 40 0 HHABLO CC(C)c1cccc(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)c1 ZINC000019366049 558876859 /nfs/dbraw/zinc/87/68/59/558876859.db2.gz PDKHDYYCCPDKCB-LOSJGSFVSA-N 1 2 422.569 3.767 40 0 HHABLO CC(C)c1ccc([C@@H]([C@H](C(=O)c2ccccc2)N2CCOCC2)[NH+]2CCOCC2)cc1 ZINC000019366180 558876964 /nfs/dbraw/zinc/87/69/64/558876964.db2.gz QPEVDJKHPSJWEK-LOSJGSFVSA-N 1 2 422.569 3.767 40 0 HHABLO O=C([C@@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000019369466 558877998 /nfs/dbraw/zinc/87/79/98/558877998.db2.gz ZXLJAQLFVHEZLL-ZEQRLZLVSA-N 1 2 410.533 3.865 40 0 HHABLO COC[C@H](C)Nc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019456674 558892017 /nfs/dbraw/zinc/89/20/17/558892017.db2.gz CMVPVEASARNEMR-KRWDZBQOSA-N 1 2 419.529 3.552 40 0 HHABLO COC[C@H](C)Nc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000019456674 558892020 /nfs/dbraw/zinc/89/20/20/558892020.db2.gz CMVPVEASARNEMR-KRWDZBQOSA-N 1 2 419.529 3.552 40 0 HHABLO CCc1[nH+]c2cc(NC(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)ccc2n1CC ZINC000019523215 558904387 /nfs/dbraw/zinc/90/43/87/558904387.db2.gz XJVWOZVYELGNSI-UHFFFAOYSA-N 1 2 421.526 3.897 40 0 HHABLO Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[N@@H+](C)Cc2cccnc2)sc1C ZINC000019559776 558920941 /nfs/dbraw/zinc/92/09/41/558920941.db2.gz BSAGLBWFUMUIPE-GOSISDBHSA-N 1 2 400.573 3.748 40 0 HHABLO Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[N@H+](C)Cc2cccnc2)sc1C ZINC000019559776 558920943 /nfs/dbraw/zinc/92/09/43/558920943.db2.gz BSAGLBWFUMUIPE-GOSISDBHSA-N 1 2 400.573 3.748 40 0 HHABLO COc1ccc2c(c1)OC1(CC[NH+](CC(=O)c3c[nH]c4ccc(F)cc43)CC1)CC2=O ZINC000019563002 558923511 /nfs/dbraw/zinc/92/35/11/558923511.db2.gz DLHUSYZIIVTKCC-UHFFFAOYSA-N 1 2 422.456 3.998 40 0 HHABLO Cc1nn([C@H](C)CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c(C)c1Cl ZINC000019577552 558933411 /nfs/dbraw/zinc/93/34/11/558933411.db2.gz BGHQKGUKYXENTN-CWTRNNRKSA-N 1 2 403.889 3.883 40 0 HHABLO Cc1nn([C@H](C)CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c(C)c1Cl ZINC000019577548 558933415 /nfs/dbraw/zinc/93/34/15/558933415.db2.gz BGHQKGUKYXENTN-BLVKFPJESA-N 1 2 403.889 3.883 40 0 HHABLO CCN(CC)c1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000072341936 558939990 /nfs/dbraw/zinc/93/99/90/558939990.db2.gz RVXGJYFZUKELHT-UHFFFAOYSA-N 1 2 403.530 3.952 40 0 HHABLO CCN(CC)c1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000072341936 558939992 /nfs/dbraw/zinc/93/99/92/558939992.db2.gz RVXGJYFZUKELHT-UHFFFAOYSA-N 1 2 403.530 3.952 40 0 HHABLO COc1ccc(-c2cccc(C[C@@H]3C(=O)N(C)CC[N@H+]3Cc3ccccn3)c2)cc1 ZINC000072351441 558947917 /nfs/dbraw/zinc/94/79/17/558947917.db2.gz MWMKIORQGFMOKB-XMMPIXPASA-N 1 2 401.510 3.643 40 0 HHABLO COc1ccc(-c2cccc(C[C@@H]3C(=O)N(C)CC[N@@H+]3Cc3ccccn3)c2)cc1 ZINC000072351441 558947920 /nfs/dbraw/zinc/94/79/20/558947920.db2.gz MWMKIORQGFMOKB-XMMPIXPASA-N 1 2 401.510 3.643 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000072370245 558956509 /nfs/dbraw/zinc/95/65/09/558956509.db2.gz VLEPWFWISQJTOV-SFHVURJKSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000072370245 558956511 /nfs/dbraw/zinc/95/65/11/558956511.db2.gz VLEPWFWISQJTOV-SFHVURJKSA-N 1 2 404.495 3.517 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370244 558956590 /nfs/dbraw/zinc/95/65/90/558956590.db2.gz NBLYBLBEHULXEH-LJQANCHMSA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370244 558956592 /nfs/dbraw/zinc/95/65/92/558956592.db2.gz NBLYBLBEHULXEH-LJQANCHMSA-N 1 2 418.522 3.778 40 0 HHABLO Cc1ccn2cc(C(=O)N3CC[C@H](c4cc(-c5ccc(N)[nH+]c5)cc(C)n4)C3)nc2c1 ZINC000072374695 558962488 /nfs/dbraw/zinc/96/24/88/558962488.db2.gz QWZSWNYRNPPPCB-SFHVURJKSA-N 1 2 412.497 3.620 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000072383117 558969165 /nfs/dbraw/zinc/96/91/65/558969165.db2.gz KGKGYZQFUZLVPN-LJQANCHMSA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000072383117 558969168 /nfs/dbraw/zinc/96/91/68/558969168.db2.gz KGKGYZQFUZLVPN-LJQANCHMSA-N 1 2 418.522 3.778 40 0 HHABLO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)cc1 ZINC000100769428 559140222 /nfs/dbraw/zinc/14/02/22/559140222.db2.gz LMIZSVISGSPKCR-INIZCTEOSA-N 1 2 410.518 3.967 40 0 HHABLO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000118913832 559205187 /nfs/dbraw/zinc/20/51/87/559205187.db2.gz WRCFYFRXAYMSAE-IMPNDFAOSA-N 1 2 415.574 3.639 40 0 in-vitro HHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000000891690 560543065 /nfs/dbraw/zinc/54/30/65/560543065.db2.gz HUMFQFKRVJPQJP-NRFANRHFSA-N 1 2 406.534 3.759 40 0 HHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000000893377 560543120 /nfs/dbraw/zinc/54/31/20/560543120.db2.gz JYZDITVQPBHRJU-OAQYLSRUSA-N 1 2 406.534 3.767 40 0 HHABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)NCc1ccccc1 ZINC000001346485 560576514 /nfs/dbraw/zinc/57/65/14/560576514.db2.gz LHDOSHCLMVHOEL-UHFFFAOYSA-N 1 2 409.902 3.877 40 0 HHABLO CC[NH+](CC)[C@H](c1nnnn1Cc1ccccc1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004160329 560601313 /nfs/dbraw/zinc/60/13/13/560601313.db2.gz DLZXAECHICJWFE-QFIPXVFZSA-N 1 2 416.529 3.611 40 0 HHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc12 ZINC000004212372 560603776 /nfs/dbraw/zinc/60/37/76/560603776.db2.gz CYEBWJOMKBEVOL-FQEVSTJZSA-N 1 2 408.550 3.708 40 0 HHABLO CCn1c(SC)nnc1[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000005001438 560620124 /nfs/dbraw/zinc/62/01/24/560620124.db2.gz XMECNKORDNBGBX-ZDUSSCGKSA-N 1 2 423.970 3.500 40 0 HHABLO CCn1c(SC)nnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000005001438 560620125 /nfs/dbraw/zinc/62/01/25/560620125.db2.gz XMECNKORDNBGBX-ZDUSSCGKSA-N 1 2 423.970 3.500 40 0 HHABLO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1C=C(O)NC(Nc2ccc(F)cc2)=[NH+]1 ZINC000014607659 560847093 /nfs/dbraw/zinc/84/70/93/560847093.db2.gz FEAIETGSAKBXFK-HXUWFJFHSA-N 1 2 418.428 3.913 40 0 HHABLO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cccnc2)CC[C@@]1(C)O ZINC000604383248 568489717 /nfs/dbraw/zinc/48/97/17/568489717.db2.gz PVGRHWYGVBPSRC-JAXLGGSGSA-N 1 2 401.576 3.762 40 0 biogenic,in-vitro HHABLO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cccnc2)CC[C@@]1(C)O ZINC000604383248 568489718 /nfs/dbraw/zinc/48/97/18/568489718.db2.gz PVGRHWYGVBPSRC-JAXLGGSGSA-N 1 2 401.576 3.762 40 0 biogenic,in-vitro HHABLO CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1 ZINC000057711318 568495926 /nfs/dbraw/zinc/49/59/26/568495926.db2.gz LFOGJDLXLZNNTM-UHFFFAOYSA-N 1 2 411.546 3.862 40 0 HHABLO CCOc1ccc(OCC)c(NC(=O)C[N@@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1 ZINC000057720073 568496119 /nfs/dbraw/zinc/49/61/19/568496119.db2.gz BYTCDPQHSGCNDS-LJQANCHMSA-N 1 2 411.546 3.942 40 0 HHABLO CCOc1ccc(OCC)c(NC(=O)C[N@H+]2CCN(c3cccc(C)c3)[C@H](C)C2)c1 ZINC000057720073 568496120 /nfs/dbraw/zinc/49/61/20/568496120.db2.gz BYTCDPQHSGCNDS-LJQANCHMSA-N 1 2 411.546 3.942 40 0 HHABLO Cc1nc(Cc2ccccc2)ncc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225795519 568675129 /nfs/dbraw/zinc/67/51/29/568675129.db2.gz OTEOUUHIYMPKLI-MDWZMJQESA-N 1 2 412.537 3.847 40 0 HHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@@H+]3Cc3ccncc3)nn2c1C ZINC000257226810 568783922 /nfs/dbraw/zinc/78/39/22/568783922.db2.gz FMGXSEIVKWFEGA-QFIPXVFZSA-N 1 2 420.561 3.537 40 0 HHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@H+]3Cc3ccncc3)nn2c1C ZINC000257226810 568783924 /nfs/dbraw/zinc/78/39/24/568783924.db2.gz FMGXSEIVKWFEGA-QFIPXVFZSA-N 1 2 420.561 3.537 40 0 HHABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4ccccc4)CCO3)c2)n1 ZINC000257246220 568789348 /nfs/dbraw/zinc/78/93/48/568789348.db2.gz ITCZZWITTGWNET-OAQYLSRUSA-N 1 2 403.486 3.754 40 0 HHABLO Cc1ccc(Nc2nccc(C3CC[NH+](CC(=O)Nc4ccccc4F)CC3)n2)nc1 ZINC000257253695 568791360 /nfs/dbraw/zinc/79/13/60/568791360.db2.gz JZXPLMYVGFJBKK-UHFFFAOYSA-N 1 2 420.492 3.881 40 0 HHABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257272532 568796411 /nfs/dbraw/zinc/79/64/11/568796411.db2.gz NCTCDSKDWBFKQQ-QGZVFWFLSA-N 1 2 417.575 3.589 40 0 HHABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000257272532 568796412 /nfs/dbraw/zinc/79/64/12/568796412.db2.gz NCTCDSKDWBFKQQ-QGZVFWFLSA-N 1 2 417.575 3.589 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@@]3(CCCO3)[C@H](OC)C1)oc1ccccc12 ZINC000257272747 568796419 /nfs/dbraw/zinc/79/64/19/568796419.db2.gz NDRGQHQJIZLHOX-VWNXMTODSA-N 1 2 424.497 3.803 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@@]3(CCCO3)[C@H](OC)C1)oc1ccccc12 ZINC000257272747 568796420 /nfs/dbraw/zinc/79/64/20/568796420.db2.gz NDRGQHQJIZLHOX-VWNXMTODSA-N 1 2 424.497 3.803 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257274066 568796859 /nfs/dbraw/zinc/79/68/59/568796859.db2.gz NJJTXIQITFEULK-DEOSSOPVSA-N 1 2 417.509 3.738 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257274066 568796861 /nfs/dbraw/zinc/79/68/61/568796861.db2.gz NJJTXIQITFEULK-DEOSSOPVSA-N 1 2 417.509 3.738 40 0 HHABLO COc1cccc(Cc2cc(C)nc([C@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)c2)c1 ZINC000257302537 568805015 /nfs/dbraw/zinc/80/50/15/568805015.db2.gz SDGSANDWYBYYAV-XMMPIXPASA-N 1 2 406.530 3.605 40 0 HHABLO COc1cccc(Cc2cc(C)nc([C@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)c2)c1 ZINC000257302537 568805017 /nfs/dbraw/zinc/80/50/17/568805017.db2.gz SDGSANDWYBYYAV-XMMPIXPASA-N 1 2 406.530 3.605 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1Cl ZINC000261361793 568819284 /nfs/dbraw/zinc/81/92/84/568819284.db2.gz AYUYPTSWMSEXIF-KRWDZBQOSA-O 1 2 401.899 3.970 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306130213 568892678 /nfs/dbraw/zinc/89/26/78/568892678.db2.gz IZGSSPLEIWJBTC-PZJWPPBQSA-N 1 2 412.461 3.782 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306130213 568892681 /nfs/dbraw/zinc/89/26/81/568892681.db2.gz IZGSSPLEIWJBTC-PZJWPPBQSA-N 1 2 412.461 3.782 40 0 HHABLO O=C(c1c2c(n3ncc(-c4ccccc4)nc13)C[N@@H+](CC1CC1)CC2)N1CCCCC1 ZINC000306130950 568893324 /nfs/dbraw/zinc/89/33/24/568893324.db2.gz JTEXDQPTGVPULS-UHFFFAOYSA-N 1 2 415.541 3.791 40 0 HHABLO O=C(c1c2c(n3ncc(-c4ccccc4)nc13)C[N@H+](CC1CC1)CC2)N1CCCCC1 ZINC000306130950 568893325 /nfs/dbraw/zinc/89/33/25/568893325.db2.gz JTEXDQPTGVPULS-UHFFFAOYSA-N 1 2 415.541 3.791 40 0 HHABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccs1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306133562 568895628 /nfs/dbraw/zinc/89/56/28/568895628.db2.gz MPOFCYYLIDRDET-UHFFFAOYSA-N 1 2 415.607 3.865 40 0 HHABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccs1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306133562 568895631 /nfs/dbraw/zinc/89/56/31/568895631.db2.gz MPOFCYYLIDRDET-UHFFFAOYSA-N 1 2 415.607 3.865 40 0 HHABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccsc3)C[C@H]1S2(=O)=O ZINC000306141907 568903482 /nfs/dbraw/zinc/90/34/82/568903482.db2.gz WJTQCHFFQOJVEU-AZUAARDMSA-N 1 2 412.536 3.574 40 0 HHABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccsc3)C[C@H]1S2(=O)=O ZINC000306141907 568903483 /nfs/dbraw/zinc/90/34/83/568903483.db2.gz WJTQCHFFQOJVEU-AZUAARDMSA-N 1 2 412.536 3.574 40 0 HHABLO CC(C)Nc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328969059 568970545 /nfs/dbraw/zinc/97/05/45/568970545.db2.gz DCIJASFAKNHQKJ-UHFFFAOYSA-N 1 2 403.408 3.713 40 0 HHABLO CC[C@@H](C)Nc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328974304 568970750 /nfs/dbraw/zinc/97/07/50/568970750.db2.gz FFKHYPFKCYMHFK-CZUORRHYSA-N 1 2 410.440 3.687 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1 ZINC000019693664 569346507 /nfs/dbraw/zinc/34/65/07/569346507.db2.gz YKHODIYTNULJBQ-XMMPIXPASA-N 1 2 417.509 3.738 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2ccc(-c3cccc(C(N)=O)c3)cn2)C1 ZINC000019693664 569346508 /nfs/dbraw/zinc/34/65/08/569346508.db2.gz YKHODIYTNULJBQ-XMMPIXPASA-N 1 2 417.509 3.738 40 0 HHABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035425174 291251296 /nfs/dbraw/zinc/25/12/96/291251296.db2.gz ZNEPBOJBYQIPCH-SFHVURJKSA-N 1 2 415.444 3.805 40 0 biogenic,in-vitro HHABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035425174 291251297 /nfs/dbraw/zinc/25/12/97/291251297.db2.gz ZNEPBOJBYQIPCH-SFHVURJKSA-N 1 2 415.444 3.805 40 0 biogenic,in-vitro HHABLO O=C(c1ccc(F)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676049 291259558 /nfs/dbraw/zinc/25/95/58/291259558.db2.gz ICCBGLCVJUXZSF-SFHVURJKSA-N 1 2 407.380 3.678 40 0 biogenic,in-vitro HHABLO O=C(c1ccc(F)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676049 291259560 /nfs/dbraw/zinc/25/95/60/291259560.db2.gz ICCBGLCVJUXZSF-SFHVURJKSA-N 1 2 407.380 3.678 40 0 biogenic,in-vitro HHABLO COc1cccc([C@@H]2NC3=[NH+]CN(Cc4ccccc4)CN3c3nc4ccccc4n32)c1 ZINC000019960470 524129003 /nfs/dbraw/zinc/12/90/03/524129003.db2.gz IGFFJHQFGQBPIU-HSZRJFAPSA-N 1 2 424.508 3.788 40 0 HHABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccc(F)cc3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508616 527314036 /nfs/dbraw/zinc/31/40/36/527314036.db2.gz HITUVVWVFBIPET-ZWKOTPCHSA-N 1 2 424.950 3.750 40 0 HHABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000894563 557113160 /nfs/dbraw/zinc/11/31/60/557113160.db2.gz LAICIYONRWRFBQ-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO COC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[N@H+](C)C2 ZINC000408573323 557476118 /nfs/dbraw/zinc/47/61/18/557476118.db2.gz BCUWWDJVQZUORE-UHFFFAOYSA-N 1 2 409.305 3.537 40 0 HHABLO COC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CC[N@@H+](C)C2 ZINC000408573323 557476121 /nfs/dbraw/zinc/47/61/21/557476121.db2.gz BCUWWDJVQZUORE-UHFFFAOYSA-N 1 2 409.305 3.537 40 0 HHABLO COc1ccc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000036046379 557827127 /nfs/dbraw/zinc/82/71/27/557827127.db2.gz GORXPHWEBICPED-LXIYXOSZSA-N 1 2 416.547 3.889 40 0 HHABLO CC[NH+]1CCN(C(=S)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000020608795 558389271 /nfs/dbraw/zinc/38/92/71/558389271.db2.gz PIWYRHDDMNMFPL-UHFFFAOYSA-N 1 2 413.387 3.628 40 0 HHABLO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000022418558 558488327 /nfs/dbraw/zinc/48/83/27/558488327.db2.gz PXFJONDKGDJHOW-UHFFFAOYSA-N 1 2 403.935 3.607 40 0 HHABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000016401482 558790119 /nfs/dbraw/zinc/79/01/19/558790119.db2.gz XIFCOWAKZWFMHM-UHFFFAOYSA-N 1 2 424.353 3.952 40 0 HHABLO COc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)c3c[nH]c4ccc(F)cc43)CC1)O2 ZINC000057823363 558891184 /nfs/dbraw/zinc/89/11/84/558891184.db2.gz OHOUSGJRGQYMEU-UHFFFAOYSA-N 1 2 422.456 3.998 40 0 HHABLO CCc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000019523278 558904459 /nfs/dbraw/zinc/90/44/59/558904459.db2.gz FFONQSSIRKMFCF-SFHVURJKSA-N 1 2 406.530 3.706 40 0 HHABLO CCCN1CC[N@H+](Cc2cccnc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351559 558947884 /nfs/dbraw/zinc/94/78/84/558947884.db2.gz YHDJMKNTUMLYOY-XMMPIXPASA-N 1 2 400.526 3.809 40 0 HHABLO CCCN1CC[N@@H+](Cc2cccnc2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351559 558947887 /nfs/dbraw/zinc/94/78/87/558947887.db2.gz YHDJMKNTUMLYOY-XMMPIXPASA-N 1 2 400.526 3.809 40 0 HHABLO Cc1nn(C)cc1-c1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2ccccc2n1 ZINC000019664647 558955239 /nfs/dbraw/zinc/95/52/39/558955239.db2.gz YNMVVHHXFPYZJA-UHFFFAOYSA-N 1 2 418.526 3.640 40 0 HHABLO Cc1nn(C)cc1-c1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2ccccc2n1 ZINC000019664647 558955243 /nfs/dbraw/zinc/95/52/43/558955243.db2.gz YNMVVHHXFPYZJA-UHFFFAOYSA-N 1 2 418.526 3.640 40 0 HHABLO Cc1cccn2cc(-c3cccc(NC(=O)Cn4cnc5sccc5c4=O)c3)[nH+]c12 ZINC000019715401 558976367 /nfs/dbraw/zinc/97/63/67/558976367.db2.gz UQDMTQCEGJRECD-UHFFFAOYSA-N 1 2 415.478 3.720 40 0 HHABLO COCc1ccc(C(=O)N2CCc3[nH+]cc(-c4cccc(COC)c4)n3CC2)cc1 ZINC000585111103 559031620 /nfs/dbraw/zinc/03/16/20/559031620.db2.gz DTUMINVUFJTQOO-UHFFFAOYSA-N 1 2 405.498 3.541 40 0 HHABLO CN(C)c1cc([C@H]2CCCN(C(=O)C(O)(c3ccccc3)c3ccccc3)C2)cc[nH+]1 ZINC000585261849 559109507 /nfs/dbraw/zinc/10/95/07/559109507.db2.gz UVOBHKJXEAOSMI-NRFANRHFSA-N 1 2 415.537 3.790 40 0 HHABLO CN(C)c1cc([C@@H]2CCCN(C(=O)C(O)(c3ccccc3)c3ccccc3)C2)cc[nH+]1 ZINC000585261853 559109533 /nfs/dbraw/zinc/10/95/33/559109533.db2.gz UVOBHKJXEAOSMI-OAQYLSRUSA-N 1 2 415.537 3.790 40 0 HHABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000585272675 559118171 /nfs/dbraw/zinc/11/81/71/559118171.db2.gz PJGCYADRYTUXSB-HXUWFJFHSA-N 1 2 409.313 3.519 40 0 HHABLO NC(=O)C[C@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000585272675 559118172 /nfs/dbraw/zinc/11/81/72/559118172.db2.gz PJGCYADRYTUXSB-HXUWFJFHSA-N 1 2 409.313 3.519 40 0 HHABLO CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000118913834 559205185 /nfs/dbraw/zinc/20/51/85/559205185.db2.gz WRCFYFRXAYMSAE-IGANSQQNSA-N 1 2 415.574 3.639 40 0 in-vitro HHABLO O=C(NCC[C@@H]1CCCCN1C(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000257343893 559285573 /nfs/dbraw/zinc/28/55/73/559285573.db2.gz ZUTZTGRMFONDBG-QFIPXVFZSA-N 1 2 416.525 3.746 40 0 HHABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000894458 560543644 /nfs/dbraw/zinc/54/36/44/560543644.db2.gz BYUSAEFVDPLTDJ-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+]3CCCCC3)cc2c1 ZINC000000908605 560545864 /nfs/dbraw/zinc/54/58/64/560545864.db2.gz AGEWYVZANJQMIJ-HXUWFJFHSA-N 1 2 408.550 3.797 40 0 HHABLO Cc1cccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)c1C ZINC000000929950 560557902 /nfs/dbraw/zinc/55/79/02/560557902.db2.gz VYWLOHFRRMMARK-UHFFFAOYSA-N 1 2 420.542 3.824 40 0 HHABLO COc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CCC(C)CC2)cc1OC ZINC000004847700 560609485 /nfs/dbraw/zinc/60/94/85/560609485.db2.gz VYRMQACAXUIVTH-HSZRJFAPSA-N 1 2 421.545 3.754 40 0 HHABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)C(C)C)CC1 ZINC000020121558 560880792 /nfs/dbraw/zinc/88/07/92/560880792.db2.gz FIAIPGQXBFHDHN-QFIPXVFZSA-N 1 2 412.582 3.702 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000020139927 560881189 /nfs/dbraw/zinc/88/11/89/560881189.db2.gz OXFFKPRKKMBIMC-QFIPXVFZSA-N 1 2 420.561 3.738 40 0 HHABLO CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cn4cc[nH+]c4)cc3)n2)cc1 ZINC000225461071 568640134 /nfs/dbraw/zinc/64/01/34/568640134.db2.gz OZJJEWNYPGTFQR-UHFFFAOYSA-N 1 2 417.469 3.652 40 0 HHABLO O=C(C[NH+]1CCC(c2cccc(Nc3ccncn3)n2)CC1)Nc1ccccc1F ZINC000257228560 568784557 /nfs/dbraw/zinc/78/45/57/568784557.db2.gz FUHBRNHFXUDUQE-UHFFFAOYSA-N 1 2 406.465 3.572 40 0 HHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)CC[N@@H+]2C)c1 ZINC000257234799 568786042 /nfs/dbraw/zinc/78/60/42/568786042.db2.gz GVCYQSQJVOUOBR-QHCPKHFHSA-N 1 2 419.569 3.763 40 0 HHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)CC[N@H+]2C)c1 ZINC000257234799 568786043 /nfs/dbraw/zinc/78/60/43/568786043.db2.gz GVCYQSQJVOUOBR-QHCPKHFHSA-N 1 2 419.569 3.763 40 0 HHABLO Cc1cc(N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)nc(C)[nH+]1 ZINC000257242107 568788025 /nfs/dbraw/zinc/78/80/25/568788025.db2.gz IBDPZPXAOMHYFS-FQEVSTJZSA-N 1 2 413.909 3.669 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cccc(Nc3cc(C)n(C)n3)n2)C1 ZINC000257245855 568789089 /nfs/dbraw/zinc/78/90/89/568789089.db2.gz IRIMCYWULWUYCQ-NRFANRHFSA-N 1 2 407.518 3.758 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cccc(Nc3cc(C)n(C)n3)n2)C1 ZINC000257245855 568789091 /nfs/dbraw/zinc/78/90/91/568789091.db2.gz IRIMCYWULWUYCQ-NRFANRHFSA-N 1 2 407.518 3.758 40 0 HHABLO COc1c(C)cccc1CNc1cc(-c2c[nH]nc2[C@@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000257299169 568804137 /nfs/dbraw/zinc/80/41/37/568804137.db2.gz ROZPQWSKHYMGBU-LJQANCHMSA-N 1 2 405.502 3.737 40 0 HHABLO O=C(C[NH+]1CCC(c2cccc(Nc3cc[nH]n3)n2)CC1)Nc1c(F)cccc1F ZINC000257309171 568807140 /nfs/dbraw/zinc/80/71/40/568807140.db2.gz TZVMTMKZCZRWSK-UHFFFAOYSA-N 1 2 412.444 3.645 40 0 HHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)C(O)(c2ccccc2)c2ccccc2)cc[nH+]1 ZINC000257333069 568814037 /nfs/dbraw/zinc/81/40/37/568814037.db2.gz XZZZAOVZCPAYJP-QFIPXVFZSA-N 1 2 401.510 3.747 40 0 HHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccccc1Cl ZINC000261362963 568819286 /nfs/dbraw/zinc/81/92/86/568819286.db2.gz FOFKNZFEWVZVJM-IBGZPJMESA-O 1 2 413.910 3.816 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1Cl ZINC000261364528 568819590 /nfs/dbraw/zinc/81/95/90/568819590.db2.gz LYJBXJWHGPWTJC-LJQANCHMSA-O 1 2 413.910 3.816 40 0 HHABLO CCOc1ccc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261366036 568819728 /nfs/dbraw/zinc/81/97/28/568819728.db2.gz XAVCMJCBJQPOQE-OAQYLSRUSA-O 1 2 423.518 3.561 40 0 HHABLO Cc1cccc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccsc5)ccc34)C2)n1 ZINC000306124457 568887445 /nfs/dbraw/zinc/88/74/45/568887445.db2.gz BQDHADZYYMNKIQ-OAQYLSRUSA-N 1 2 404.543 3.650 40 0 HHABLO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5ccsc5)ccc34)C2)n1 ZINC000306124457 568887446 /nfs/dbraw/zinc/88/74/46/568887446.db2.gz BQDHADZYYMNKIQ-OAQYLSRUSA-N 1 2 404.543 3.650 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)cc1 ZINC000306133031 568894987 /nfs/dbraw/zinc/89/49/87/568894987.db2.gz LZPGMJLDVHVOJA-IRLDBZIGSA-N 1 2 424.497 3.652 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)cc1 ZINC000306133031 568894989 /nfs/dbraw/zinc/89/49/89/568894989.db2.gz LZPGMJLDVHVOJA-IRLDBZIGSA-N 1 2 424.497 3.652 40 0 HHABLO c1csc(-c2ccc3c([C@H]4C[N@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 ZINC000306138409 568900482 /nfs/dbraw/zinc/90/04/82/568900482.db2.gz RWYGJXNPRQZQQT-HXUWFJFHSA-N 1 2 420.494 3.760 40 0 HHABLO c1csc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccc6c(c5)OCO6)CCO4)nnn3c2)c1 ZINC000306138409 568900483 /nfs/dbraw/zinc/90/04/83/568900483.db2.gz RWYGJXNPRQZQQT-HXUWFJFHSA-N 1 2 420.494 3.760 40 0 HHABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306144801 568906255 /nfs/dbraw/zinc/90/62/55/568906255.db2.gz ZOXSKOASIWIFKY-QHCPKHFHSA-N 1 2 415.497 3.682 40 0 HHABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306144801 568906257 /nfs/dbraw/zinc/90/62/57/568906257.db2.gz ZOXSKOASIWIFKY-QHCPKHFHSA-N 1 2 415.497 3.682 40 0 HHABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)c(Br)c1 ZINC000328991936 568971501 /nfs/dbraw/zinc/97/15/01/568971501.db2.gz ITGNEXMKSUWLQB-UHFFFAOYSA-N 1 2 413.319 3.596 40 0 HHABLO CC[C@@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329006372 568972368 /nfs/dbraw/zinc/97/23/68/568972368.db2.gz LDNYFXUQSUECTJ-CQSZACIVSA-N 1 2 412.335 3.967 40 0 HHABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329028046 568973528 /nfs/dbraw/zinc/97/35/28/568973528.db2.gz PUFDTUXDDRWTCG-UHFFFAOYSA-N 1 2 402.420 3.853 40 0 HHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230409 569313903 /nfs/dbraw/zinc/31/39/03/569313903.db2.gz QXLJMIWCZRGXKU-QDMVCWPOSA-N 1 2 420.509 3.547 40 0 HHABLO O=C(CSCc1ccccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026934991 569350018 /nfs/dbraw/zinc/35/00/18/569350018.db2.gz ZFDYVSQSYZFMBF-UHFFFAOYSA-N 1 2 418.946 3.646 40 0 HHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1sccc1C ZINC000261366295 569413863 /nfs/dbraw/zinc/41/38/63/569413863.db2.gz YQSOSXRLVGVBDD-IBGZPJMESA-O 1 2 413.548 3.922 40 0 HHABLO COc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015707183 291255112 /nfs/dbraw/zinc/25/51/12/291255112.db2.gz YKCWWYYHPIFFTJ-IBGZPJMESA-N 1 2 416.441 3.800 40 0 biogenic,in-vitro HHABLO COc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015707183 291255116 /nfs/dbraw/zinc/25/51/16/291255116.db2.gz YKCWWYYHPIFFTJ-IBGZPJMESA-N 1 2 416.441 3.800 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)Nc3ccccc3)n2)cc1 ZINC000015675995 291254354 /nfs/dbraw/zinc/25/43/54/291254354.db2.gz NEGYIGGLDCSEDZ-IBGZPJMESA-N 1 2 416.441 3.800 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)Nc3ccccc3)n2)cc1 ZINC000015675995 291254358 /nfs/dbraw/zinc/25/43/58/291254358.db2.gz NEGYIGGLDCSEDZ-IBGZPJMESA-N 1 2 416.441 3.800 40 0 biogenic,in-vitro HHABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)[N@H+](C)C2)cc1 ZINC000012529794 291254482 /nfs/dbraw/zinc/25/44/82/291254482.db2.gz FHJCXLWPXPCCTM-WMZOPIPTSA-N 1 2 412.877 3.574 40 0 biogenic,in-vitro HHABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)[N@@H+](C)C2)cc1 ZINC000012529794 291254485 /nfs/dbraw/zinc/25/44/85/291254485.db2.gz FHJCXLWPXPCCTM-WMZOPIPTSA-N 1 2 412.877 3.574 40 0 biogenic,in-vitro HHABLO Cc1cccc(Nc2noc3c2C[N@H+](Cc2cc4c(cc2C)n(C)c(=O)n4C)CC3)c1 ZINC000072351382 524704428 /nfs/dbraw/zinc/70/44/28/524704428.db2.gz OOZWEIFRHFCHJN-UHFFFAOYSA-N 1 2 417.513 3.784 40 0 HHABLO Cc1cccc(Nc2noc3c2C[N@@H+](Cc2cc4c(cc2C)n(C)c(=O)n4C)CC3)c1 ZINC000072351382 524704438 /nfs/dbraw/zinc/70/44/38/524704438.db2.gz OOZWEIFRHFCHJN-UHFFFAOYSA-N 1 2 417.513 3.784 40 0 HHABLO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044855705 525554130 /nfs/dbraw/zinc/55/41/30/525554130.db2.gz ZPSKZILDLKUBOT-NRFANRHFSA-N 1 2 410.514 3.560 40 0 HHABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](c2nnnn2Cc2ccco2)C(C)C)CC1 ZINC000035289945 557673254 /nfs/dbraw/zinc/67/32/54/557673254.db2.gz QVXGQHCGKOSQTB-HXUWFJFHSA-N 1 2 414.941 3.796 40 0 HHABLO O=C(C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000035311355 557687125 /nfs/dbraw/zinc/68/71/25/557687125.db2.gz FEQVQDJBBBKLIV-UHFFFAOYSA-N 1 2 400.862 3.602 40 0 HHABLO CCCNC(=O)N1CCn2c([nH+]c(-c3ccc(OC)c(OC)c3)c2NC(C)(C)C)C1 ZINC000012116006 558328175 /nfs/dbraw/zinc/32/81/75/558328175.db2.gz RQPKUXAPGONBPU-UHFFFAOYSA-N 1 2 415.538 3.713 40 0 HHABLO COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)c1 ZINC000012116360 558328518 /nfs/dbraw/zinc/32/85/18/558328518.db2.gz FCFHSUZBWBVQJV-INIZCTEOSA-N 1 2 422.529 3.684 40 0 HHABLO COc1ccc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1OC(C)C ZINC000019240308 558858864 /nfs/dbraw/zinc/85/88/64/558858864.db2.gz PYRSISAVYHONGX-UHFFFAOYSA-N 1 2 413.543 3.621 40 0 HHABLO COc1ccc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc1OC(C)C ZINC000019240308 558858865 /nfs/dbraw/zinc/85/88/65/558858865.db2.gz PYRSISAVYHONGX-UHFFFAOYSA-N 1 2 413.543 3.621 40 0 HHABLO COc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)cc1F ZINC000019240477 558859113 /nfs/dbraw/zinc/85/91/13/558859113.db2.gz VAIBARWFMNGDSJ-AWEZNQCLSA-N 1 2 423.535 3.729 40 0 HHABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019344323 558872744 /nfs/dbraw/zinc/87/27/44/558872744.db2.gz FXEBZTJVDFVCHY-CYBMUJFWSA-N 1 2 421.448 3.827 40 0 HHABLO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000019521961 558903028 /nfs/dbraw/zinc/90/30/28/558903028.db2.gz UUXMOJWDJVIYCW-CYBMUJFWSA-N 1 2 421.423 3.797 40 0 HHABLO CCc1cc(C(F)(F)F)nc([C@@H]2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)o3)C2)n1 ZINC000019522562 558903730 /nfs/dbraw/zinc/90/37/30/558903730.db2.gz CNPGMOCIQQYRFO-CYBMUJFWSA-N 1 2 419.407 3.525 40 0 HHABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)[C@@H](C)C2)c1 ZINC000019555653 558918532 /nfs/dbraw/zinc/91/85/32/558918532.db2.gz XVOYBFNRJNPLAA-INIZCTEOSA-N 1 2 404.514 3.602 40 0 HHABLO COc1cccc(C[N@H+]2CCN(C(=O)c3ccc4nc(C)c(C)nc4c3)[C@@H](C)C2)c1 ZINC000019555653 558918534 /nfs/dbraw/zinc/91/85/34/558918534.db2.gz XVOYBFNRJNPLAA-INIZCTEOSA-N 1 2 404.514 3.602 40 0 HHABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)Cn2ccc3ccccc32)cc[nH+]1 ZINC000072360808 558955743 /nfs/dbraw/zinc/95/57/43/558955743.db2.gz GJUBQWBGWODFJN-FQEVSTJZSA-N 1 2 400.486 3.762 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370243 558956627 /nfs/dbraw/zinc/95/66/27/558956627.db2.gz NBLYBLBEHULXEH-IBGZPJMESA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370243 558956629 /nfs/dbraw/zinc/95/66/29/558956629.db2.gz NBLYBLBEHULXEH-IBGZPJMESA-N 1 2 418.522 3.778 40 0 HHABLO CNc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2Cl)nc2c1CCN(C(C)=O)C2 ZINC000072376539 558965843 /nfs/dbraw/zinc/96/58/43/558965843.db2.gz ZBTPKNSPZIHXPL-HXUWFJFHSA-N 1 2 413.953 3.804 40 0 HHABLO CNc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2Cl)nc2c1CCN(C(C)=O)C2 ZINC000072376539 558965845 /nfs/dbraw/zinc/96/58/45/558965845.db2.gz ZBTPKNSPZIHXPL-HXUWFJFHSA-N 1 2 413.953 3.804 40 0 HHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)n1 ZINC000072378843 558967828 /nfs/dbraw/zinc/96/78/28/558967828.db2.gz SNHUNYXRPJEMJX-LJQANCHMSA-N 1 2 404.514 3.787 40 0 HHABLO Cc1cn(C)c2ccc(C(=O)Nc3cc(C)ccc3OCC[NH+]3CCOCC3)cc12 ZINC000019714311 558974152 /nfs/dbraw/zinc/97/41/52/558974152.db2.gz XGEMNLZMSVJYRV-UHFFFAOYSA-N 1 2 407.514 3.758 40 0 HHABLO CCn1cc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2c2cccc(OC)c2)c(C)n1 ZINC000019715573 558976804 /nfs/dbraw/zinc/97/68/04/558976804.db2.gz NXUHHMAWZFKULM-DEOSSOPVSA-N 1 2 404.514 3.806 40 0 HHABLO CCn1cc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2c2cccc(OC)c2)c(C)n1 ZINC000019715573 558976806 /nfs/dbraw/zinc/97/68/06/558976806.db2.gz NXUHHMAWZFKULM-DEOSSOPVSA-N 1 2 404.514 3.806 40 0 HHABLO Cc1cc(C)cc(C(=O)N2C[C@]3(C[C@H]2c2cn(C)c[nH+]2)CCCN(CC2CC2)C3=O)c1 ZINC000585106481 559028767 /nfs/dbraw/zinc/02/87/67/559028767.db2.gz SLUHZSWSOGQCFK-WIOPSUGQSA-N 1 2 420.557 3.643 40 0 HHABLO CC[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)NCC(C)C)CC2 ZINC000096144991 559097002 /nfs/dbraw/zinc/09/70/02/559097002.db2.gz JIBBEKDVDUOBTD-UHFFFAOYSA-N 1 2 413.541 3.681 40 0 HHABLO CC[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)NCC(C)C)CC2 ZINC000096144991 559097003 /nfs/dbraw/zinc/09/70/03/559097003.db2.gz JIBBEKDVDUOBTD-UHFFFAOYSA-N 1 2 413.541 3.681 40 0 HHABLO COc1cccc(-c2cccc3c([C@@H]4CN(Cc5ccncc5)CCO4)[nH+]cn32)c1 ZINC000096155870 559100018 /nfs/dbraw/zinc/10/00/18/559100018.db2.gz RHTMNXUXXALTFO-QHCPKHFHSA-N 1 2 400.482 3.978 40 0 HHABLO COc1cc(C[NH2+][C@@H](C)c2cc(=O)n3[nH]c(C(C)(C)C)cc3n2)cc(OC)c1OC ZINC000100217700 559132136 /nfs/dbraw/zinc/13/21/36/559132136.db2.gz MVXSXBAYEBMAOK-ZDUSSCGKSA-N 1 2 414.506 3.609 40 0 HHABLO COc1ccccc1-c1cccc(CC2(C(=O)NCCc3c[nH+]c[nH]3)CCOCC2)c1 ZINC000257327826 559283217 /nfs/dbraw/zinc/28/32/17/559283217.db2.gz XCWZTURKTJXGRW-UHFFFAOYSA-N 1 2 419.525 3.784 40 0 HHABLO COc1ccccc1-c1cccc(CC2(C(=O)NCCc3c[nH]c[nH+]3)CCOCC2)c1 ZINC000257327826 559283218 /nfs/dbraw/zinc/28/32/18/559283218.db2.gz XCWZTURKTJXGRW-UHFFFAOYSA-N 1 2 419.525 3.784 40 0 HHABLO COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCc3[nH]cc[nH+]3)CCOCC2)cc1 ZINC000257230769 559283916 /nfs/dbraw/zinc/28/39/16/559283916.db2.gz GDVPAVSKYFNVEN-UHFFFAOYSA-N 1 2 423.488 3.880 40 0 HHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc12 ZINC000000910074 560545987 /nfs/dbraw/zinc/54/59/87/560545987.db2.gz ZALYQLAUKQDEIJ-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000004160641 560601566 /nfs/dbraw/zinc/60/15/66/560601566.db2.gz MDDOHERUVLKQOH-NRFANRHFSA-N 1 2 406.534 3.767 40 0 HHABLO CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000005271885 560625664 /nfs/dbraw/zinc/62/56/64/560625664.db2.gz YFMMOCVQZBMPGN-BURNTYAHSA-N 1 2 422.912 3.738 40 0 HHABLO CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(Cl)cc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000005271885 560625665 /nfs/dbraw/zinc/62/56/65/560625665.db2.gz YFMMOCVQZBMPGN-BURNTYAHSA-N 1 2 422.912 3.738 40 0 HHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670738 568494863 /nfs/dbraw/zinc/49/48/63/568494863.db2.gz ZMOWFQKDAPJUIP-OAQYLSRUSA-N 1 2 408.525 3.751 40 0 HHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670914 568495021 /nfs/dbraw/zinc/49/50/21/568495021.db2.gz AABGJBUPGAZYOV-QFIPXVFZSA-N 1 2 420.561 3.620 40 0 HHABLO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671005 568495062 /nfs/dbraw/zinc/49/50/62/568495062.db2.gz NGZDFVVCGCTUNP-JOCHJYFZSA-N 1 2 424.524 3.533 40 0 HHABLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219859076 568499256 /nfs/dbraw/zinc/49/92/56/568499256.db2.gz FOUOXXLKQGZHAL-UHFFFAOYSA-N 1 2 412.486 3.654 40 0 HHABLO CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225374652 568632300 /nfs/dbraw/zinc/63/23/00/568632300.db2.gz OVCQNIJTXVKYEL-UHFFFAOYSA-N 1 2 407.861 3.907 40 0 HHABLO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC(C)CC1 ZINC000225668586 568662350 /nfs/dbraw/zinc/66/23/50/568662350.db2.gz ZEYZAYVNPPHTOR-UHFFFAOYSA-N 1 2 404.551 3.712 40 0 HHABLO Cc1cccc(-c2noc(CCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)c1 ZINC000225814884 568676867 /nfs/dbraw/zinc/67/68/67/568676867.db2.gz ZTPUKBWDCVBQRX-UXBLZVDNSA-N 1 2 416.525 3.835 40 0 HHABLO COc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)c(C)c1C ZINC000257214076 568780144 /nfs/dbraw/zinc/78/01/44/568780144.db2.gz CKKXVLCLNGJOIS-OAQYLSRUSA-N 1 2 420.517 3.518 40 0 HHABLO COc1cc(C)c(C[N@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)c(C)c1C ZINC000257214076 568780146 /nfs/dbraw/zinc/78/01/46/568780146.db2.gz CKKXVLCLNGJOIS-OAQYLSRUSA-N 1 2 420.517 3.518 40 0 HHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ccccc1 ZINC000257236051 568786480 /nfs/dbraw/zinc/78/64/80/568786480.db2.gz HAOVULLLAGNVHU-ICSRJNTNSA-N 1 2 408.420 3.548 40 0 HHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1Oc1ccccc1 ZINC000257236051 568786483 /nfs/dbraw/zinc/78/64/83/568786483.db2.gz HAOVULLLAGNVHU-ICSRJNTNSA-N 1 2 408.420 3.548 40 0 HHABLO Cc1cc(C)cc(C2(C(=O)N3CCC[C@](C)(c4cc(N)nc(C)[nH+]4)C3)CCOCC2)c1 ZINC000257277920 568797997 /nfs/dbraw/zinc/79/79/97/568797997.db2.gz OABCSRAOOKFGFO-DEOSSOPVSA-N 1 2 422.573 3.613 40 0 HHABLO Cc1nc(Nc2cc(C)nc([C@H]3C[N@H+](Cc4cnn(C)c4C)CCO3)c2)sc1C ZINC000257290873 568801812 /nfs/dbraw/zinc/80/18/12/568801812.db2.gz QERFFQPLZQXIAN-HXUWFJFHSA-N 1 2 412.563 3.822 40 0 HHABLO Cc1nc(Nc2cc(C)nc([C@H]3C[N@@H+](Cc4cnn(C)c4C)CCO3)c2)sc1C ZINC000257290873 568801813 /nfs/dbraw/zinc/80/18/13/568801813.db2.gz QERFFQPLZQXIAN-HXUWFJFHSA-N 1 2 412.563 3.822 40 0 HHABLO Cc1[nH]c2ccc(NC(=O)C[C@H]3CCCN(C(=O)c4cnc(C(C)C)nc4)C3)cc2[nH+]1 ZINC000257317758 568809555 /nfs/dbraw/zinc/80/95/55/568809555.db2.gz VKZQUEVYKNKITR-MRXNPFEDSA-N 1 2 420.517 3.666 40 0 HHABLO Cn1cc(-c2cccc([C@H]3C[N@H+](Cc4ccc5c(c4)CC(C)(C)O5)CCO3)n2)cn1 ZINC000257325594 568812021 /nfs/dbraw/zinc/81/20/21/568812021.db2.gz WTQVWUSZYQCFNW-HSZRJFAPSA-N 1 2 404.514 3.769 40 0 HHABLO Cn1cc(-c2cccc([C@H]3C[N@@H+](Cc4ccc5c(c4)CC(C)(C)O5)CCO3)n2)cn1 ZINC000257325594 568812023 /nfs/dbraw/zinc/81/20/23/568812023.db2.gz WTQVWUSZYQCFNW-HSZRJFAPSA-N 1 2 404.514 3.769 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1cccnc1 ZINC000257328620 568812645 /nfs/dbraw/zinc/81/26/45/568812645.db2.gz XGLLBRKFURCMGH-NRFANRHFSA-N 1 2 408.477 3.595 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1cccnc1 ZINC000257328620 568812648 /nfs/dbraw/zinc/81/26/48/568812648.db2.gz XGLLBRKFURCMGH-NRFANRHFSA-N 1 2 408.477 3.595 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306126297 568889126 /nfs/dbraw/zinc/88/91/26/568889126.db2.gz DRZFOXFVFUDZRQ-GMAHTHKFSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306126297 568889128 /nfs/dbraw/zinc/88/91/28/568889128.db2.gz DRZFOXFVFUDZRQ-GMAHTHKFSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306129374 568891821 /nfs/dbraw/zinc/89/18/21/568891821.db2.gz IBPGGFZDTSDLRP-HSZRJFAPSA-N 1 2 400.482 3.978 40 0 HHABLO COc1ccc(C[N@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306129374 568891823 /nfs/dbraw/zinc/89/18/23/568891823.db2.gz IBPGGFZDTSDLRP-HSZRJFAPSA-N 1 2 400.482 3.978 40 0 HHABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306132285 568894331 /nfs/dbraw/zinc/89/43/31/568894331.db2.gz LDXDKDSMALWHSH-GHTZIAJQSA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306132285 568894332 /nfs/dbraw/zinc/89/43/32/568894332.db2.gz LDXDKDSMALWHSH-GHTZIAJQSA-N 1 2 413.568 3.948 40 0 HHABLO Clc1ccccc1C[NH+]1CCN(c2nccn3c(-c4cccnc4)cnc23)CC1 ZINC000306143064 568904710 /nfs/dbraw/zinc/90/47/10/568904710.db2.gz XSEIWARJRHJQGU-UHFFFAOYSA-N 1 2 404.905 3.767 40 0 HHABLO Cc1cccc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)n1 ZINC000306143820 568905193 /nfs/dbraw/zinc/90/51/93/568905193.db2.gz YNNXUNJJUWLTOI-HSZRJFAPSA-N 1 2 416.504 3.728 40 0 HHABLO Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)n1 ZINC000306143820 568905194 /nfs/dbraw/zinc/90/51/94/568905194.db2.gz YNNXUNJJUWLTOI-HSZRJFAPSA-N 1 2 416.504 3.728 40 0 HHABLO Cc1c(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cccc1C(F)(F)F ZINC000328973601 568970605 /nfs/dbraw/zinc/97/06/05/568970605.db2.gz FASFLQROIZJTDD-UHFFFAOYSA-N 1 2 402.420 3.853 40 0 HHABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cc1C(F)(F)F ZINC000329064700 568975269 /nfs/dbraw/zinc/97/52/69/568975269.db2.gz XMETWAOJUFFJBB-CYBMUJFWSA-N 1 2 418.419 3.551 40 0 HHABLO COc1ccc2cc(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000927537 569048926 /nfs/dbraw/zinc/04/89/26/569048926.db2.gz KOMPKRIRIMYMHR-UHFFFAOYSA-N 1 2 422.533 3.583 40 0 HHABLO COc1ccc2cc(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000927537 569048927 /nfs/dbraw/zinc/04/89/27/569048927.db2.gz KOMPKRIRIMYMHR-UHFFFAOYSA-N 1 2 422.533 3.583 40 0 HHABLO Nc1ccc(-c2ccc([C@H]3CN(C(=O)CCc4cccc(Cl)c4)CCO3)nc2)c[nH+]1 ZINC000019693655 569346517 /nfs/dbraw/zinc/34/65/17/569346517.db2.gz MKNMVJLSFHIOID-OAQYLSRUSA-N 1 2 422.916 3.912 40 0 HHABLO Cc1nc([C@]2(O)CCC[N@H+](Cc3ncc[nH]3)CC2)sc1CCOc1ccccc1 ZINC000019705231 569347876 /nfs/dbraw/zinc/34/78/76/569347876.db2.gz QMAPRXBGPFWXBG-QFIPXVFZSA-N 1 2 412.559 3.670 40 0 HHABLO Cc1nc([C@]2(O)CCC[N@@H+](Cc3ncc[nH]3)CC2)sc1CCOc1ccccc1 ZINC000019705231 569347877 /nfs/dbraw/zinc/34/78/77/569347877.db2.gz QMAPRXBGPFWXBG-QFIPXVFZSA-N 1 2 412.559 3.670 40 0 HHABLO O=C(C[N@@H+]1CC[C@H](c2cc(COc3ccccc3F)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000019738944 569348651 /nfs/dbraw/zinc/34/86/51/569348651.db2.gz LZOXLVYCUZJGJC-HNNXBMFYSA-N 1 2 412.440 3.695 40 0 HHABLO O=C(C[N@H+]1CC[C@H](c2cc(COc3ccccc3F)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000019738944 569348652 /nfs/dbraw/zinc/34/86/52/569348652.db2.gz LZOXLVYCUZJGJC-HNNXBMFYSA-N 1 2 412.440 3.695 40 0 HHABLO CCOc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc1 ZINC000261364586 569413703 /nfs/dbraw/zinc/41/37/03/569413703.db2.gz MKEHAUPMZIFCHW-OAQYLSRUSA-O 1 2 423.518 3.561 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(OC)c(O)c1 ZINC000261364429 569413705 /nfs/dbraw/zinc/41/37/05/569413705.db2.gz LKVDSYPICOFCRF-LJQANCHMSA-O 1 2 411.507 3.716 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cn1 ZINC000096111790 291255002 /nfs/dbraw/zinc/25/50/02/291255002.db2.gz HSAGCWWNRFWOSL-UNMCSNQZSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccc2)c2ccccc2O3)cn1 ZINC000096111790 291255004 /nfs/dbraw/zinc/25/50/04/291255004.db2.gz HSAGCWWNRFWOSL-UNMCSNQZSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO O=C(c1cccs1)N(C(=S)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000001635199 132247172 /nfs/dbraw/zinc/24/71/72/132247172.db2.gz BSGNAACRENBMGR-UHFFFAOYSA-N 1 2 408.552 3.897 40 0 HHABLO Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012143385 132354892 /nfs/dbraw/zinc/35/48/92/132354892.db2.gz ILYOBUXEGLDDOR-NRFANRHFSA-N 1 2 414.912 3.617 40 0 HHABLO Cc1ccccc1CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 ZINC000032508739 525180912 /nfs/dbraw/zinc/18/09/12/525180912.db2.gz LPQQPGAMWKHYPU-RTBURBONSA-N 1 2 420.987 3.919 40 0 HHABLO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000000926275 557119882 /nfs/dbraw/zinc/11/98/82/557119882.db2.gz IEGKRNGEXOTZAK-UHFFFAOYSA-N 1 2 408.550 3.913 40 0 HHABLO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000000926275 557119889 /nfs/dbraw/zinc/11/98/89/557119889.db2.gz IEGKRNGEXOTZAK-UHFFFAOYSA-N 1 2 408.550 3.913 40 0 HHABLO COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ccc(C)cc1)C[N@@H+](C)CC2 ZINC000408569410 557466979 /nfs/dbraw/zinc/46/69/79/557466979.db2.gz WQHGKQSUTSPMLF-CYBMUJFWSA-N 1 2 404.557 3.950 40 0 HHABLO COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1ccc(C)cc1)C[N@H+](C)CC2 ZINC000408569410 557466981 /nfs/dbraw/zinc/46/69/81/557466981.db2.gz WQHGKQSUTSPMLF-CYBMUJFWSA-N 1 2 404.557 3.950 40 0 HHABLO COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000004966682 557617917 /nfs/dbraw/zinc/61/79/17/557617917.db2.gz WMTVFNQAVUXBAT-UHFFFAOYSA-N 1 2 414.889 3.660 40 0 HHABLO Cc1ccc(Cl)cc1N1CC[NH+]([C@H](c2nnnn2Cc2ccco2)C(C)C)CC1 ZINC000035289947 557673191 /nfs/dbraw/zinc/67/31/91/557673191.db2.gz QVXGQHCGKOSQTB-FQEVSTJZSA-N 1 2 414.941 3.796 40 0 HHABLO CCOc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OCC ZINC000019931818 558310533 /nfs/dbraw/zinc/31/05/33/558310533.db2.gz KOUXVELPEOPQRW-GOSISDBHSA-N 1 2 412.530 3.807 40 0 HHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000012116369 558328600 /nfs/dbraw/zinc/32/86/00/558328600.db2.gz KBFYJKOMGMCWHY-UHFFFAOYSA-N 1 2 406.486 3.683 40 0 HHABLO C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013708435 558575151 /nfs/dbraw/zinc/57/51/51/558575151.db2.gz NJQBTWGUONGGEW-SFHVURJKSA-N 1 2 418.493 3.680 40 0 HHABLO O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030942187 558745572 /nfs/dbraw/zinc/74/55/72/558745572.db2.gz OJLCHIXGRFLIPI-UHFFFAOYSA-N 1 2 411.465 3.509 40 0 HHABLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(F)cc1 ZINC000019291196 558863555 /nfs/dbraw/zinc/86/35/55/558863555.db2.gz ZRJXPVBOLZGZJM-GOSISDBHSA-N 1 2 411.462 3.509 40 0 HHABLO COc1cccc([C@@H](NC(=O)c2cccc(N3CCCCC3)c2)c2[nH+]ccn2C)c1 ZINC000019291242 558863566 /nfs/dbraw/zinc/86/35/66/558863566.db2.gz SFFFPLAMFUAKGD-JOCHJYFZSA-N 1 2 404.514 3.938 40 0 HHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCN(c2nsc3ccccc32)CC1 ZINC000019349798 558875404 /nfs/dbraw/zinc/87/54/04/558875404.db2.gz NIDSLXAERKCKKN-UHFFFAOYSA-N 1 2 403.511 3.504 40 0 HHABLO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c(OC)c1 ZINC000019552323 558915749 /nfs/dbraw/zinc/91/57/49/558915749.db2.gz PLALAACMFLPRQF-FQEVSTJZSA-N 1 2 406.486 3.989 40 0 HHABLO COc1ccc(C[N@H+]2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c(OC)c1 ZINC000019552323 558915752 /nfs/dbraw/zinc/91/57/52/558915752.db2.gz PLALAACMFLPRQF-FQEVSTJZSA-N 1 2 406.486 3.989 40 0 HHABLO COc1cccc(C[N@@H+](Cc2c(C)nc3sccn23)C[C@H]2CCCO2)c1OC ZINC000019555048 558917944 /nfs/dbraw/zinc/91/79/44/558917944.db2.gz ZJUXTSNCAIXYCG-QGZVFWFLSA-N 1 2 401.532 3.903 40 0 HHABLO COc1cccc(C[N@H+](Cc2c(C)nc3sccn23)C[C@H]2CCCO2)c1OC ZINC000019555048 558917945 /nfs/dbraw/zinc/91/79/45/558917945.db2.gz ZJUXTSNCAIXYCG-QGZVFWFLSA-N 1 2 401.532 3.903 40 0 HHABLO Cc1ncsc1-c1nnc([C@@H]2CCCCN2C(=O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000019562518 558923151 /nfs/dbraw/zinc/92/31/51/558923151.db2.gz RGIFABGEMBFZNT-SFHVURJKSA-N 1 2 423.542 3.613 40 0 HHABLO Cc1ncsc1-c1nnc([C@@H]2CCCCN2C(=O)C[N@H+]2CCc3ccccc3C2)o1 ZINC000019562518 558923155 /nfs/dbraw/zinc/92/31/55/558923155.db2.gz RGIFABGEMBFZNT-SFHVURJKSA-N 1 2 423.542 3.613 40 0 HHABLO Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000019572295 558930469 /nfs/dbraw/zinc/93/04/69/558930469.db2.gz NQEBAWSMWOSTGC-UHFFFAOYSA-N 1 2 400.482 3.916 40 0 HHABLO Cn1ccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000072340561 558939346 /nfs/dbraw/zinc/93/93/46/558939346.db2.gz FGWQRPAIBPMVGQ-OAQYLSRUSA-N 1 2 414.912 3.617 40 0 HHABLO COCCCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019593325 558944365 /nfs/dbraw/zinc/94/43/65/558944365.db2.gz PEYZCRABLOPZMJ-UHFFFAOYSA-N 1 2 419.529 3.554 40 0 HHABLO COCCCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000019593325 558944367 /nfs/dbraw/zinc/94/43/67/558944367.db2.gz PEYZCRABLOPZMJ-UHFFFAOYSA-N 1 2 419.529 3.554 40 0 HHABLO COc1ccc(-c2cccc(C[C@H]3C(=O)N(C)CC[N@H+]3Cc3ccncc3)c2)cc1 ZINC000072351438 558947863 /nfs/dbraw/zinc/94/78/63/558947863.db2.gz GOYJXJLYPCCYTF-DEOSSOPVSA-N 1 2 401.510 3.643 40 0 HHABLO COc1ccc(-c2cccc(C[C@H]3C(=O)N(C)CC[N@@H+]3Cc3ccncc3)c2)cc1 ZINC000072351438 558947865 /nfs/dbraw/zinc/94/78/65/558947865.db2.gz GOYJXJLYPCCYTF-DEOSSOPVSA-N 1 2 401.510 3.643 40 0 HHABLO CCCN1CC[N@H+](Cc2cccnc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351560 558947979 /nfs/dbraw/zinc/94/79/79/558947979.db2.gz YHDJMKNTUMLYOY-DEOSSOPVSA-N 1 2 400.526 3.809 40 0 HHABLO CCCN1CC[N@@H+](Cc2cccnc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351560 558947980 /nfs/dbraw/zinc/94/79/80/558947980.db2.gz YHDJMKNTUMLYOY-DEOSSOPVSA-N 1 2 400.526 3.809 40 0 HHABLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ccc(Nc2[nH+]cccc2C)cn1 ZINC000072353177 558950028 /nfs/dbraw/zinc/95/00/28/558950028.db2.gz FSWPCTCFYINDJJ-GOSISDBHSA-N 1 2 413.503 3.659 40 0 HHABLO Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCOCC3)cc2)n1 ZINC000019660077 558951272 /nfs/dbraw/zinc/95/12/72/558951272.db2.gz HZUPTHWJFIISSX-DEOSSOPVSA-N 1 2 418.541 3.601 40 0 HHABLO Cc1ccc2[nH]nc(C(=O)N3CC[C@H](c4cc(-c5ccc(N)[nH+]c5)cc(C)n4)C3)c2c1 ZINC000072374729 558962660 /nfs/dbraw/zinc/96/26/60/558962660.db2.gz JLKVSSPYKUTKDB-KRWDZBQOSA-N 1 2 412.497 3.849 40 0 HHABLO Cc1ccc(-c2cnc3n2CC[N@@H+](C)C32CCN(C(=O)c3cccs3)CC2)cc1 ZINC000096037089 559090942 /nfs/dbraw/zinc/09/09/42/559090942.db2.gz UIDDSMTVSNNBLS-UHFFFAOYSA-N 1 2 406.555 3.997 40 0 HHABLO Cc1ccc(-c2cnc3n2CC[N@H+](C)C32CCN(C(=O)c3cccs3)CC2)cc1 ZINC000096037089 559090943 /nfs/dbraw/zinc/09/09/43/559090943.db2.gz UIDDSMTVSNNBLS-UHFFFAOYSA-N 1 2 406.555 3.997 40 0 HHABLO C[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096145038 559097006 /nfs/dbraw/zinc/09/70/06/559097006.db2.gz YFXDVFBWXOVXOM-UHFFFAOYSA-N 1 2 418.516 3.695 40 0 HHABLO C[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096145038 559097007 /nfs/dbraw/zinc/09/70/07/559097007.db2.gz YFXDVFBWXOVXOM-UHFFFAOYSA-N 1 2 418.516 3.695 40 0 HHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccc3-c3ccccc3)CC[N@@H+]2C)c1 ZINC000585261797 559109334 /nfs/dbraw/zinc/10/93/34/559109334.db2.gz LXJHJOGJRYCMOM-DEOSSOPVSA-N 1 2 413.521 3.842 40 0 HHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccc3-c3ccccc3)CC[N@H+]2C)c1 ZINC000585261797 559109335 /nfs/dbraw/zinc/10/93/35/559109335.db2.gz LXJHJOGJRYCMOM-DEOSSOPVSA-N 1 2 413.521 3.842 40 0 HHABLO COc1cc(C[NH2+][C@H](C)c2cc(=O)n3[nH]c(C(C)(C)C)cc3n2)cc(OC)c1OC ZINC000100217703 559132128 /nfs/dbraw/zinc/13/21/28/559132128.db2.gz MVXSXBAYEBMAOK-CYBMUJFWSA-N 1 2 414.506 3.609 40 0 HHABLO C[C@]12CC[C@H]3c4ccc(OC(=O)CC[NH+]5CCOCC5)cc4CC[C@H]3[C@H]1CCC2=O ZINC000105365681 559162756 /nfs/dbraw/zinc/16/27/56/559162756.db2.gz PAEWODTUFUTSCJ-OUMCCJGNSA-N 1 2 411.542 3.740 40 0 HHABLO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCc3c[nH+]c[nH]3)CCCO2)c1 ZINC000072345658 559181902 /nfs/dbraw/zinc/18/19/02/559181902.db2.gz DDWDLFJINIQGMX-XMMPIXPASA-N 1 2 405.498 3.536 40 0 HHABLO COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCc3c[nH]c[nH+]3)CCCO2)c1 ZINC000072345658 559181904 /nfs/dbraw/zinc/18/19/04/559181904.db2.gz DDWDLFJINIQGMX-XMMPIXPASA-N 1 2 405.498 3.536 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000888937 560542088 /nfs/dbraw/zinc/54/20/88/560542088.db2.gz PUECTEYMGQXIKO-OAQYLSRUSA-N 1 2 406.534 3.904 40 0 HHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+]3CCCCC3)cc2c1 ZINC000000911804 560546091 /nfs/dbraw/zinc/54/60/91/560546091.db2.gz YXOFMKDCGSQWHW-HXUWFJFHSA-N 1 2 424.549 3.634 40 0 HHABLO Cc1cc2cc(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000000927087 560557045 /nfs/dbraw/zinc/55/70/45/560557045.db2.gz GOWPOAVFSFVCJH-UHFFFAOYSA-N 1 2 408.550 3.831 40 0 HHABLO Cc1cc2cc(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCC3)c(=O)[nH]c2cc1C ZINC000000927087 560557046 /nfs/dbraw/zinc/55/70/46/560557046.db2.gz GOWPOAVFSFVCJH-UHFFFAOYSA-N 1 2 408.550 3.831 40 0 HHABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C ZINC000095346197 560557907 /nfs/dbraw/zinc/55/79/07/560557907.db2.gz PNWRSFZTCKAQCO-MHTWAQMVSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C ZINC000095346197 560557908 /nfs/dbraw/zinc/55/79/08/560557908.db2.gz PNWRSFZTCKAQCO-MHTWAQMVSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1cccc(N2CC[NH+]([C@H](c3nnnn3C(C)(C)C)c3ccccc3)CC2)c1C ZINC000019235613 560872243 /nfs/dbraw/zinc/87/22/43/560872243.db2.gz FBIJPBLKGNNQOP-QFIPXVFZSA-N 1 2 404.562 3.957 40 0 HHABLO CC[C@@H](Oc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216484468 568465631 /nfs/dbraw/zinc/46/56/31/568465631.db2.gz SRNMJPKJAPQXQH-GOSISDBHSA-N 1 2 416.905 3.571 40 0 HHABLO CCOc1ccc(OCC)c(NC(=O)C[NH+]2CCN(c3ccc(C)cc3C)CC2)c1 ZINC000057720064 568496174 /nfs/dbraw/zinc/49/61/74/568496174.db2.gz OQRLWKJADLFKID-UHFFFAOYSA-N 1 2 411.546 3.862 40 0 HHABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccccc3C)CC2)cc(OC)c1OC ZINC000225224661 568624549 /nfs/dbraw/zinc/62/45/49/568624549.db2.gz SJXFKMCYHRBBSS-UHFFFAOYSA-N 1 2 415.559 3.535 40 0 HHABLO O=C(c1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)N1CCCCC1 ZINC000225455228 568639362 /nfs/dbraw/zinc/63/93/62/568639362.db2.gz GZJYWEGGYRCLBT-UHFFFAOYSA-N 1 2 419.554 3.985 40 0 HHABLO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3)CCCC2)cc1 ZINC000225531441 568647922 /nfs/dbraw/zinc/64/79/22/568647922.db2.gz IJACNVDIYRUNGN-UHFFFAOYSA-N 1 2 424.541 3.857 40 0 HHABLO COc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000225777898 568673951 /nfs/dbraw/zinc/67/39/51/568673951.db2.gz OXYZMOHZYNBTRA-UHFFFAOYSA-N 1 2 405.951 3.667 40 0 HHABLO CC1(C)Cc2cc(C[N@@H+]3CCO[C@@H](c4cccc(Nc5ncccn5)n4)C3)ccc2O1 ZINC000257252523 568791092 /nfs/dbraw/zinc/79/10/92/568791092.db2.gz JVBNKHIKIQOKTK-OAQYLSRUSA-N 1 2 417.513 3.902 40 0 HHABLO CC1(C)Cc2cc(C[N@H+]3CCO[C@@H](c4cccc(Nc5ncccn5)n4)C3)ccc2O1 ZINC000257252523 568791094 /nfs/dbraw/zinc/79/10/94/568791094.db2.gz JVBNKHIKIQOKTK-OAQYLSRUSA-N 1 2 417.513 3.902 40 0 HHABLO Cc1ccc(OCC[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cc1 ZINC000257265835 568794442 /nfs/dbraw/zinc/79/44/42/568794442.db2.gz MAOINRZSELPYFL-VWLOTQADSA-N 1 2 421.541 3.802 40 0 HHABLO Cc1ccc(OCC[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cc1 ZINC000257265835 568794444 /nfs/dbraw/zinc/79/44/44/568794444.db2.gz MAOINRZSELPYFL-VWLOTQADSA-N 1 2 421.541 3.802 40 0 HHABLO COc1cccc2cc(C[N@@H+]3CCO[C@H](c4ccc(Nc5ncccn5)cn4)C3)oc21 ZINC000257285791 568800188 /nfs/dbraw/zinc/80/01/88/568800188.db2.gz PIXFIXFNJCMOEW-NRFANRHFSA-N 1 2 417.469 3.944 40 0 HHABLO COc1cccc2cc(C[N@H+]3CCO[C@H](c4ccc(Nc5ncccn5)cn4)C3)oc21 ZINC000257285791 568800189 /nfs/dbraw/zinc/80/01/89/568800189.db2.gz PIXFIXFNJCMOEW-NRFANRHFSA-N 1 2 417.469 3.944 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccccn1 ZINC000257304461 568805940 /nfs/dbraw/zinc/80/59/40/568805940.db2.gz SLTYMNJQQYEGDY-NRFANRHFSA-N 1 2 408.477 3.595 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccccn1 ZINC000257304461 568805941 /nfs/dbraw/zinc/80/59/41/568805941.db2.gz SLTYMNJQQYEGDY-NRFANRHFSA-N 1 2 408.477 3.595 40 0 HHABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1cccc(F)c1 ZINC000257305509 568806122 /nfs/dbraw/zinc/80/61/22/568806122.db2.gz SQIKTAYUTXOIHA-DEOSSOPVSA-N 1 2 405.473 3.776 40 0 HHABLO NC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1cccc(F)c1 ZINC000257305509 568806119 /nfs/dbraw/zinc/80/61/19/568806119.db2.gz SQIKTAYUTXOIHA-DEOSSOPVSA-N 1 2 405.473 3.776 40 0 HHABLO Cc1oc2c(c1C(=O)N1CC[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C1)CCCC2 ZINC000257324690 568811854 /nfs/dbraw/zinc/81/18/54/568811854.db2.gz WPSGBKFAQDQKNM-MRXNPFEDSA-N 1 2 403.486 3.531 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cccc(O)c1Cl ZINC000261361794 568819292 /nfs/dbraw/zinc/81/92/92/568819292.db2.gz AYUYPTSWMSEXIF-QGZVFWFLSA-O 1 2 401.899 3.970 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Cl)c1 ZINC000261365921 568819703 /nfs/dbraw/zinc/81/97/03/568819703.db2.gz WFRXKDDLJHNMGG-LJQANCHMSA-O 1 2 413.910 3.816 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306126298 568889081 /nfs/dbraw/zinc/88/90/81/568889081.db2.gz DRZFOXFVFUDZRQ-JTHBVZDNSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306126298 568889084 /nfs/dbraw/zinc/88/90/84/568889084.db2.gz DRZFOXFVFUDZRQ-JTHBVZDNSA-N 1 2 406.507 3.513 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306130211 568892621 /nfs/dbraw/zinc/89/26/21/568892621.db2.gz IZGSSPLEIWJBTC-CTNGQTDRSA-N 1 2 412.461 3.782 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306130211 568892623 /nfs/dbraw/zinc/89/26/23/568892623.db2.gz IZGSSPLEIWJBTC-CTNGQTDRSA-N 1 2 412.461 3.782 40 0 HHABLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccs4)ccc2S3(=O)=O)cn1 ZINC000306132286 568894374 /nfs/dbraw/zinc/89/43/74/568894374.db2.gz LDXDKDSMALWHSH-NQIIRXRSSA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cccs4)ccc2S3(=O)=O)cn1 ZINC000306132286 568894376 /nfs/dbraw/zinc/89/43/76/568894376.db2.gz LDXDKDSMALWHSH-NQIIRXRSSA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@@H+]2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306132288 568894684 /nfs/dbraw/zinc/89/46/84/568894684.db2.gz LDXDKDSMALWHSH-WIYYLYMNSA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@H+]2C[C@@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306132288 568894686 /nfs/dbraw/zinc/89/46/86/568894686.db2.gz LDXDKDSMALWHSH-WIYYLYMNSA-N 1 2 413.568 3.948 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306133033 568895033 /nfs/dbraw/zinc/89/50/33/568895033.db2.gz LZPGMJLDVHVOJA-UNMCSNQZSA-N 1 2 424.497 3.652 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306133033 568895036 /nfs/dbraw/zinc/89/50/36/568895036.db2.gz LZPGMJLDVHVOJA-UNMCSNQZSA-N 1 2 424.497 3.652 40 0 HHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccc(C)n5)CCN4C)nnn3c2)cc1 ZINC000306137600 568899502 /nfs/dbraw/zinc/89/95/02/568899502.db2.gz RAXRTFFTPNZYNV-XMMPIXPASA-N 1 2 412.541 3.897 40 0 HHABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cccc(C)n5)CCN4C)nnn3c2)cc1 ZINC000306137600 568899505 /nfs/dbraw/zinc/89/95/05/568899505.db2.gz RAXRTFFTPNZYNV-XMMPIXPASA-N 1 2 412.541 3.897 40 0 HHABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccsc3)C[C@@H]1S2(=O)=O ZINC000306141908 568903500 /nfs/dbraw/zinc/90/35/00/568903500.db2.gz WJTQCHFFQOJVEU-ICSRJNTNSA-N 1 2 412.536 3.574 40 0 HHABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1S2(=O)=O ZINC000306141908 568903501 /nfs/dbraw/zinc/90/35/01/568903501.db2.gz WJTQCHFFQOJVEU-ICSRJNTNSA-N 1 2 412.536 3.574 40 0 HHABLO CC(C)c1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000329003909 568972161 /nfs/dbraw/zinc/97/21/61/568972161.db2.gz KPIAVEAXOZXKEK-UHFFFAOYSA-N 1 2 423.542 3.554 40 0 HHABLO CC(C)c1nc(Nc2ccccc2)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]1 ZINC000329003909 568972163 /nfs/dbraw/zinc/97/21/63/568972163.db2.gz KPIAVEAXOZXKEK-UHFFFAOYSA-N 1 2 423.542 3.554 40 0 HHABLO COC(=O)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1OC ZINC000329008501 568972360 /nfs/dbraw/zinc/97/23/60/568972360.db2.gz LRLCANKYGYJGQK-UHFFFAOYSA-N 1 2 418.497 3.881 40 0 HHABLO FC(F)(F)Oc1cccc(-c2cc(NCCc3ccncc3)nc(NC3CC3)[nH+]2)c1 ZINC000329011507 568972599 /nfs/dbraw/zinc/97/25/99/568972599.db2.gz MFVZDDGCCCBLMQ-UHFFFAOYSA-N 1 2 415.419 3.510 40 0 HHABLO Cc1c(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cccc1C(F)(F)F ZINC000329028492 568973457 /nfs/dbraw/zinc/97/34/57/568973457.db2.gz PVBZFNRRBRONMO-ZDUSSCGKSA-N 1 2 402.420 3.851 40 0 HHABLO CNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccncc2)[nH+]1 ZINC000329047839 568974602 /nfs/dbraw/zinc/97/46/02/568974602.db2.gz UHSYOKFGEVEHCP-UHFFFAOYSA-N 1 2 424.224 3.949 40 0 HHABLO OCCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329068757 568975619 /nfs/dbraw/zinc/97/56/19/568975619.db2.gz YSOAWYBUNUCYDK-UHFFFAOYSA-N 1 2 405.285 3.538 40 0 HHABLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019496211 569345598 /nfs/dbraw/zinc/34/55/98/569345598.db2.gz ZJIZXEQZVJTJIK-DJIMGWMZSA-N 1 2 405.926 3.580 40 0 HHABLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019496211 569345599 /nfs/dbraw/zinc/34/55/99/569345599.db2.gz ZJIZXEQZVJTJIK-DJIMGWMZSA-N 1 2 405.926 3.580 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)c(OC)c1 ZINC000261361855 569413411 /nfs/dbraw/zinc/41/34/11/569413411.db2.gz BHYLZIVJMCJCJW-IBGZPJMESA-O 1 2 411.507 3.716 40 0 HHABLO COc1cc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](CO)C(C)C)n2)cc(OC)c1 ZINC000328986941 571308521 /nfs/dbraw/zinc/30/85/21/571308521.db2.gz HZJFDYSBTLIELG-OAQYLSRUSA-N 1 2 408.502 4.333 40 0 HHABLO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225662870 520276718 /nfs/dbraw/zinc/27/67/18/520276718.db2.gz UBCYTJPAYRFDHR-XXBNENTESA-N 1 2 404.551 3.712 40 0 HHABLO COC(=O)c1c2c(sc1NC(=O)CSc1ccc(Cl)cc1)C[N@@H+](C)CC2 ZINC000408564654 557471806 /nfs/dbraw/zinc/47/18/06/557471806.db2.gz ZTZKUHNBZHTHKJ-UHFFFAOYSA-N 1 2 410.948 3.907 40 0 HHABLO COC(=O)c1c2c(sc1NC(=O)CSc1ccc(Cl)cc1)C[N@H+](C)CC2 ZINC000408564654 557471808 /nfs/dbraw/zinc/47/18/08/557471808.db2.gz ZTZKUHNBZHTHKJ-UHFFFAOYSA-N 1 2 410.948 3.907 40 0 HHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)s1 ZINC000019762258 558277230 /nfs/dbraw/zinc/27/72/30/558277230.db2.gz GZRJTQRMDUISPN-JOCHJYFZSA-N 1 2 424.570 3.959 40 0 HHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)s1 ZINC000019762258 558277232 /nfs/dbraw/zinc/27/72/32/558277232.db2.gz GZRJTQRMDUISPN-JOCHJYFZSA-N 1 2 424.570 3.959 40 0 HHABLO COc1ccc(C[N@@H+](Cc2coc3ccccc3c2=O)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187204 558345999 /nfs/dbraw/zinc/34/59/99/558345999.db2.gz LFYXRISDXXFMAP-FQEVSTJZSA-N 1 2 409.482 3.991 40 0 HHABLO COc1ccc(C[N@H+](Cc2coc3ccccc3c2=O)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187204 558346001 /nfs/dbraw/zinc/34/60/01/558346001.db2.gz LFYXRISDXXFMAP-FQEVSTJZSA-N 1 2 409.482 3.991 40 0 HHABLO COc1ccc(C[N@@H+](Cc2cc3c(cc2OC)OCO3)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187211 558346359 /nfs/dbraw/zinc/34/63/59/558346359.db2.gz IMTIJSAAUZKERL-IBGZPJMESA-N 1 2 415.486 3.622 40 0 HHABLO COc1ccc(C[N@H+](Cc2cc3c(cc2OC)OCO3)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187211 558346362 /nfs/dbraw/zinc/34/63/62/558346362.db2.gz IMTIJSAAUZKERL-IBGZPJMESA-N 1 2 415.486 3.622 40 0 HHABLO O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020487034 558376761 /nfs/dbraw/zinc/37/67/61/558376761.db2.gz BIKWIQXJXGLLRM-UHFFFAOYSA-N 1 2 421.541 3.787 40 0 HHABLO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccncc2)cc1CO ZINC000012363850 558387352 /nfs/dbraw/zinc/38/73/52/558387352.db2.gz MMDBKWLQJIIHNB-RUZDIDTESA-N 1 2 420.509 3.747 40 0 HHABLO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2ccncc2)cc1CO ZINC000012363850 558387355 /nfs/dbraw/zinc/38/73/55/558387355.db2.gz MMDBKWLQJIIHNB-RUZDIDTESA-N 1 2 420.509 3.747 40 0 HHABLO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CC(=O)N(c3ccc(C(C)C)cc3)C1=O)CC2 ZINC000022609449 558501362 /nfs/dbraw/zinc/50/13/62/558501362.db2.gz YFMBKCZVAYJCGB-FQEVSTJZSA-N 1 2 408.498 3.517 40 0 HHABLO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC(=O)N(c3ccc(C(C)C)cc3)C1=O)CC2 ZINC000022609449 558501365 /nfs/dbraw/zinc/50/13/65/558501365.db2.gz YFMBKCZVAYJCGB-FQEVSTJZSA-N 1 2 408.498 3.517 40 0 HHABLO Cn1ccc(C(=O)N2CCC[C@@H](c3[nH+]c(Nc4ccccc4)n4ccsc34)C2)n1 ZINC000019290914 558863490 /nfs/dbraw/zinc/86/34/90/558863490.db2.gz GRVICDDKZQDJEW-OAHLLOKOSA-N 1 2 406.515 3.893 40 0 HHABLO Cc1noc2nc([C@@H]3CCCN(C(=O)CCCn4cc[nH+]c4)C3)cc(C(F)(F)F)c12 ZINC000019563852 558923871 /nfs/dbraw/zinc/92/38/71/558923871.db2.gz SJPCOVDMQDAHJZ-CQSZACIVSA-N 1 2 421.423 3.933 40 0 HHABLO O=C(C[N@H+]1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1)Nc1nccs1 ZINC000072348892 558945688 /nfs/dbraw/zinc/94/56/88/558945688.db2.gz RUJDEIUCIOARQO-SFHVURJKSA-N 1 2 408.527 3.516 40 0 HHABLO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1)Nc1nccs1 ZINC000072348892 558945690 /nfs/dbraw/zinc/94/56/90/558945690.db2.gz RUJDEIUCIOARQO-SFHVURJKSA-N 1 2 408.527 3.516 40 0 HHABLO O=C(C[N@H+]1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1)Nc1nccs1 ZINC000072348891 558945740 /nfs/dbraw/zinc/94/57/40/558945740.db2.gz RUJDEIUCIOARQO-GOSISDBHSA-N 1 2 408.527 3.516 40 0 HHABLO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1)Nc1nccs1 ZINC000072348891 558945742 /nfs/dbraw/zinc/94/57/42/558945742.db2.gz RUJDEIUCIOARQO-GOSISDBHSA-N 1 2 408.527 3.516 40 0 HHABLO COc1cccc(Cc2cccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccccn4)C3)n2)c1 ZINC000072349548 558946330 /nfs/dbraw/zinc/94/63/30/558946330.db2.gz WVQQMQOQRAMNIW-HXUWFJFHSA-N 1 2 416.525 3.894 40 0 HHABLO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccccn4)C3)n2)c1 ZINC000072349548 558946333 /nfs/dbraw/zinc/94/63/33/558946333.db2.gz WVQQMQOQRAMNIW-HXUWFJFHSA-N 1 2 416.525 3.894 40 0 HHABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1 ZINC000072350628 558947626 /nfs/dbraw/zinc/94/76/26/558947626.db2.gz SNKOIIUKDZZATL-IBGZPJMESA-N 1 2 419.529 3.572 40 0 HHABLO CCN1CC[N@H+](Cc2cccc(C)n2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000072351889 558948160 /nfs/dbraw/zinc/94/81/60/558948160.db2.gz DGFQWXWDRGWGNN-XMMPIXPASA-N 1 2 400.526 3.727 40 0 HHABLO CCN1CC[N@@H+](Cc2cccc(C)n2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000072351889 558948162 /nfs/dbraw/zinc/94/81/62/558948162.db2.gz DGFQWXWDRGWGNN-XMMPIXPASA-N 1 2 400.526 3.727 40 0 HHABLO CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Cc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000072353897 558951129 /nfs/dbraw/zinc/95/11/29/558951129.db2.gz CYEKPXJXDRHEMN-HXUWFJFHSA-N 1 2 419.566 3.886 40 0 HHABLO Cc1cc(C)n(-c2ccc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCOCC3)cc2)n1 ZINC000019660075 558951314 /nfs/dbraw/zinc/95/13/14/558951314.db2.gz HZUPTHWJFIISSX-XMMPIXPASA-N 1 2 418.541 3.601 40 0 HHABLO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000072357701 558953547 /nfs/dbraw/zinc/95/35/47/558953547.db2.gz WOVBUHWQIGWKTJ-IBGZPJMESA-N 1 2 408.527 3.913 40 0 HHABLO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000072357701 558953549 /nfs/dbraw/zinc/95/35/49/558953549.db2.gz WOVBUHWQIGWKTJ-IBGZPJMESA-N 1 2 408.527 3.913 40 0 HHABLO Cc1noc(CCC(=O)N2CCC(c3ccc(Nc4[nH+]cccc4C)cn3)CC2)n1 ZINC000072374346 558961895 /nfs/dbraw/zinc/96/18/95/558961895.db2.gz LHDAIULVOFBJNO-UHFFFAOYSA-N 1 2 406.490 3.559 40 0 HHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072379034 558967814 /nfs/dbraw/zinc/96/78/14/558967814.db2.gz QTEXBXDXAOMQDO-KRWDZBQOSA-N 1 2 408.477 3.754 40 0 HHABLO C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104716 559027214 /nfs/dbraw/zinc/02/72/14/559027214.db2.gz RUXVBFQRVLCXGR-SBUREZEXSA-N 1 2 400.469 3.777 40 0 HHABLO C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104716 559027216 /nfs/dbraw/zinc/02/72/16/559027216.db2.gz RUXVBFQRVLCXGR-SBUREZEXSA-N 1 2 400.469 3.777 40 0 HHABLO Cc1csc(Nc2cc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)n1 ZINC000585291889 559123983 /nfs/dbraw/zinc/12/39/83/559123983.db2.gz VARIIFKOTMUFGU-LXXRFIIISA-N 1 2 409.519 3.784 40 0 HHABLO O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000100153679 559130921 /nfs/dbraw/zinc/13/09/21/559130921.db2.gz ARAMQYGJNWJYJR-SFHVURJKSA-N 1 2 422.287 3.587 40 0 HHABLO COc1ccc(OCCc2cc([C@@H]3C[N@H+](CCc4ccccc4)CCO3)n[nH]2)cc1 ZINC000257201662 559282398 /nfs/dbraw/zinc/28/23/98/559282398.db2.gz AILVQVMYXDDDDS-DEOSSOPVSA-N 1 2 407.514 3.656 40 0 HHABLO COc1ccc(OCCc2cc([C@@H]3C[N@@H+](CCc4ccccc4)CCO3)n[nH]2)cc1 ZINC000257201662 559282400 /nfs/dbraw/zinc/28/24/00/559282400.db2.gz AILVQVMYXDDDDS-DEOSSOPVSA-N 1 2 407.514 3.656 40 0 HHABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000893709 560543509 /nfs/dbraw/zinc/54/35/09/560543509.db2.gz HIBPPSCCFCOFAZ-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 ZINC000000925690 560556874 /nfs/dbraw/zinc/55/68/74/560556874.db2.gz HTIPWZNOTWPVRQ-UHFFFAOYSA-N 1 2 406.534 3.883 40 0 HHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)cc2c1 ZINC000000925690 560556875 /nfs/dbraw/zinc/55/68/75/560556875.db2.gz HTIPWZNOTWPVRQ-UHFFFAOYSA-N 1 2 406.534 3.883 40 0 HHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(C)c2)cc1 ZINC000001346596 560576539 /nfs/dbraw/zinc/57/65/39/560576539.db2.gz XVCWGBDDSDOPOE-UHFFFAOYSA-N 1 2 405.483 3.863 40 0 HHABLO O=C(CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000003310958 560592010 /nfs/dbraw/zinc/59/20/10/560592010.db2.gz AMENJPLOQSGOBG-AGXSTUJCSA-N 1 2 418.379 3.854 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005446370 560737715 /nfs/dbraw/zinc/73/77/15/560737715.db2.gz UKRJEPMGWHXYOU-IERDGZPVSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005446370 560737716 /nfs/dbraw/zinc/73/77/16/560737716.db2.gz UKRJEPMGWHXYOU-IERDGZPVSA-N 1 2 406.534 3.759 40 0 HHABLO O=C(Nc1nc(=O)c2c3c(sc2[nH]1)C[N@@H+](Cc1ccccc1)CC3)c1ccccc1 ZINC000022438399 568486357 /nfs/dbraw/zinc/48/63/57/568486357.db2.gz JHSFTLKKPUNIEV-UHFFFAOYSA-N 1 2 416.506 3.795 40 0 HHABLO O=C(Nc1nc(=O)c2c3c(sc2[nH]1)C[N@H+](Cc1ccccc1)CC3)c1ccccc1 ZINC000022438399 568486358 /nfs/dbraw/zinc/48/63/58/568486358.db2.gz JHSFTLKKPUNIEV-UHFFFAOYSA-N 1 2 416.506 3.795 40 0 HHABLO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2ccncc2F)CC[C@@]1(C)O ZINC000604383061 568489565 /nfs/dbraw/zinc/48/95/65/568489565.db2.gz BNYSVEDNJHIKLD-JAXLGGSGSA-N 1 2 419.566 3.901 40 0 biogenic,in-vitro HHABLO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2ccncc2F)CC[C@@]1(C)O ZINC000604383061 568489566 /nfs/dbraw/zinc/48/95/66/568489566.db2.gz BNYSVEDNJHIKLD-JAXLGGSGSA-N 1 2 419.566 3.901 40 0 biogenic,in-vitro HHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3Cc3cccs3)C(C)C)CC2)c1 ZINC000057671541 568495312 /nfs/dbraw/zinc/49/53/12/568495312.db2.gz CDJJAOBUGSXYAX-NRFANRHFSA-N 1 2 410.591 3.919 40 0 HHABLO COc1cccc(-c2noc(CN(C)C(=O)C3CC[NH+](c4ccc(C)cc4)CC3)n2)c1 ZINC000219866595 568499510 /nfs/dbraw/zinc/49/95/10/568499510.db2.gz VBLHJJBMOKGJLM-UHFFFAOYSA-N 1 2 420.513 3.929 40 0 HHABLO COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223019599 568534430 /nfs/dbraw/zinc/53/44/30/568534430.db2.gz VLVCXPIZGWNEAR-FGZHOGPDSA-N 1 2 421.570 3.557 40 0 HHABLO Cc1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)ccc1N1CCCC1=O ZINC000224963714 568606194 /nfs/dbraw/zinc/60/61/94/568606194.db2.gz DOSJDGIUCJUQIT-UHFFFAOYSA-N 1 2 413.543 3.913 40 0 HHABLO O=C(CCc1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225326032 568629741 /nfs/dbraw/zinc/62/97/41/568629741.db2.gz YIHFWQVCHUUTHM-UHFFFAOYSA-N 1 2 421.324 3.999 40 0 HHABLO Cc1ccccc1-c1noc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000225817106 568677336 /nfs/dbraw/zinc/67/73/36/568677336.db2.gz HXULMSPLRLIZMM-YRNVUSSQSA-N 1 2 416.525 3.835 40 0 HHABLO O=C(c1cc2cc(Cl)ccc2oc1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000226042358 568691740 /nfs/dbraw/zinc/69/17/40/568691740.db2.gz QOWLTYOQOFTQTB-QPJJXVBHSA-N 1 2 408.885 3.918 40 0 HHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257202592 568777000 /nfs/dbraw/zinc/77/70/00/568777000.db2.gz AMMWNWQGAOKSCH-ICSRJNTNSA-N 1 2 408.420 3.548 40 0 HHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257202592 568777003 /nfs/dbraw/zinc/77/70/03/568777003.db2.gz AMMWNWQGAOKSCH-ICSRJNTNSA-N 1 2 408.420 3.548 40 0 HHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccc(C(C)C)cc3)n[nH]2)C1 ZINC000257267262 568794873 /nfs/dbraw/zinc/79/48/73/568794873.db2.gz MGOUMUAAMGQTPA-XMMPIXPASA-N 1 2 423.561 3.770 40 0 HHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccc(C(C)C)cc3)n[nH]2)C1 ZINC000257267262 568794874 /nfs/dbraw/zinc/79/48/74/568794874.db2.gz MGOUMUAAMGQTPA-XMMPIXPASA-N 1 2 423.561 3.770 40 0 HHABLO Cc1nnc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)C4CCCCC4)CCO3)c2)s1 ZINC000257286473 568800436 /nfs/dbraw/zinc/80/04/36/568800436.db2.gz PLRWYRRUTXTGBQ-GOSISDBHSA-N 1 2 401.536 3.774 40 0 HHABLO Cc1nnc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)C4CCCCC4)CCO3)c2)s1 ZINC000257286474 568800544 /nfs/dbraw/zinc/80/05/44/568800544.db2.gz PLRWYRRUTXTGBQ-SFHVURJKSA-N 1 2 401.536 3.774 40 0 HHABLO Cc1ccc2c(CC(=O)N3CC[C@H](c4n[nH]cc4-c4cc[nH+]c(N)c4)C3)coc2c1C ZINC000257290125 568801445 /nfs/dbraw/zinc/80/14/45/568801445.db2.gz QBROHCDHBQJVCN-KRWDZBQOSA-N 1 2 415.497 3.976 40 0 HHABLO COc1cccc(CNc2cc(-c3c[nH]nc3C3CCN(C(C)=O)CC3)cc[nH+]2)c1 ZINC000257290346 568801606 /nfs/dbraw/zinc/80/16/06/568801606.db2.gz QCONKTLIYMOJHV-UHFFFAOYSA-N 1 2 405.502 3.818 40 0 HHABLO Cc1csc(Nc2cccc([C@H]3C[N@H+](Cc4cccnc4N(C)C)CCO3)n2)n1 ZINC000257342561 568816789 /nfs/dbraw/zinc/81/67/89/568816789.db2.gz ZPFXQMXNZZBDTM-GOSISDBHSA-N 1 2 410.547 3.625 40 0 HHABLO Cc1csc(Nc2cccc([C@H]3C[N@@H+](Cc4cccnc4N(C)C)CCO3)n2)n1 ZINC000257342561 568816792 /nfs/dbraw/zinc/81/67/92/568816792.db2.gz ZPFXQMXNZZBDTM-GOSISDBHSA-N 1 2 410.547 3.625 40 0 HHABLO Cc1csc(Nc2cccc([C@@H]3C[N@H+](Cc4cccnc4N(C)C)CCO3)n2)n1 ZINC000257342562 568816841 /nfs/dbraw/zinc/81/68/41/568816841.db2.gz ZPFXQMXNZZBDTM-SFHVURJKSA-N 1 2 410.547 3.625 40 0 HHABLO Cc1csc(Nc2cccc([C@@H]3C[N@@H+](Cc4cccnc4N(C)C)CCO3)n2)n1 ZINC000257342562 568816844 /nfs/dbraw/zinc/81/68/44/568816844.db2.gz ZPFXQMXNZZBDTM-SFHVURJKSA-N 1 2 410.547 3.625 40 0 HHABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306124447 568887511 /nfs/dbraw/zinc/88/75/11/568887511.db2.gz BPSBGFUUYJGFHQ-PZJWPPBQSA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306124447 568887514 /nfs/dbraw/zinc/88/75/14/568887514.db2.gz BPSBGFUUYJGFHQ-PZJWPPBQSA-N 1 2 413.568 3.948 40 0 HHABLO Cc1cccc(C(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306130264 568892731 /nfs/dbraw/zinc/89/27/31/568892731.db2.gz JAJFHEHJUODSFB-SQJMNOBHSA-N 1 2 420.557 3.641 40 0 HHABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306132287 568894639 /nfs/dbraw/zinc/89/46/39/568894639.db2.gz LDXDKDSMALWHSH-RXVVDRJESA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5cccs5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306132287 568894640 /nfs/dbraw/zinc/89/46/40/568894640.db2.gz LDXDKDSMALWHSH-RXVVDRJESA-N 1 2 413.568 3.948 40 0 HHABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3ccsc3)C[C@H]1S2(=O)=O ZINC000306141910 568903532 /nfs/dbraw/zinc/90/35/32/568903532.db2.gz WJTQCHFFQOJVEU-UYAOXDASSA-N 1 2 412.536 3.574 40 0 HHABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccsc3)C[C@H]1S2(=O)=O ZINC000306141910 568903534 /nfs/dbraw/zinc/90/35/34/568903534.db2.gz WJTQCHFFQOJVEU-UYAOXDASSA-N 1 2 412.536 3.574 40 0 HHABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cc1C(F)(F)F ZINC000328971262 568970564 /nfs/dbraw/zinc/97/05/64/568970564.db2.gz DPHUNUGPLBFCJH-CQSZACIVSA-N 1 2 402.420 3.851 40 0 HHABLO CCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329024442 568973324 /nfs/dbraw/zinc/97/33/24/568973324.db2.gz OZVQWZRISVZCFZ-UHFFFAOYSA-N 1 2 418.375 3.790 40 0 HHABLO C[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329024554 568973356 /nfs/dbraw/zinc/97/33/56/568973356.db2.gz PAZLEGWAWAOVHU-VIFPVBQESA-N 1 2 420.357 3.772 40 0 HHABLO CC[C@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000329049055 568974548 /nfs/dbraw/zinc/97/45/48/568974548.db2.gz UNFYRSDSCRTRHV-AWEZNQCLSA-N 1 2 412.335 3.967 40 0 HHABLO Cc1ccc([C@H](CNC(=O)c2ccc(N3CCCCC3)cc2)[NH+]2CCOCC2)cc1 ZINC000141557386 569354736 /nfs/dbraw/zinc/35/47/36/569354736.db2.gz NSEJPKLHUADUFJ-DEOSSOPVSA-N 1 2 407.558 3.789 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1sccc1C ZINC000261362019 569413389 /nfs/dbraw/zinc/41/33/89/569413389.db2.gz BUFXXUVUMLWUBB-LJQANCHMSA-O 1 2 413.548 3.922 40 0 HHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(OC)cc1 ZINC000261362311 569413395 /nfs/dbraw/zinc/41/33/95/569413395.db2.gz CTXXYXYUPGALIH-OAQYLSRUSA-O 1 2 423.518 3.561 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(F)c1 ZINC000261364133 569413551 /nfs/dbraw/zinc/41/35/51/569413551.db2.gz JMCWYVDJOQWVTM-FQEVSTJZSA-O 1 2 411.482 3.691 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000261363214 569413604 /nfs/dbraw/zinc/41/36/04/569413604.db2.gz QABHUOFFCIMDBH-IBGZPJMESA-O 1 2 403.491 3.611 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1OC ZINC000261365769 569413692 /nfs/dbraw/zinc/41/36/92/569413692.db2.gz VDVIZGSPXJLYQZ-NRFANRHFSA-O 1 2 423.518 3.561 40 0 HHABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000096111951 291251319 /nfs/dbraw/zinc/25/13/19/291251319.db2.gz DAZINPNTLZFBLW-HKUYNNGSSA-N 1 2 420.431 3.720 40 0 biogenic,in-vitro HHABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC000096111951 291251320 /nfs/dbraw/zinc/25/13/20/291251320.db2.gz DAZINPNTLZFBLW-HKUYNNGSSA-N 1 2 420.431 3.720 40 0 biogenic,in-vitro HHABLO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)[N@H+]4CCC[C@H]4[C@H]3C2=O)c(C)c1 ZINC000035855913 557645050 /nfs/dbraw/zinc/64/50/50/557645050.db2.gz ZJJGWZQWROXYET-BQJUDKOJSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)[N@@H+]4CCC[C@H]4[C@H]3C2=O)c(C)c1 ZINC000035855913 557645051 /nfs/dbraw/zinc/64/50/51/557645051.db2.gz ZJJGWZQWROXYET-BQJUDKOJSA-N 1 2 422.912 3.792 40 0 HHABLO Clc1ccc2[nH]c(C3CC[NH+](Cc4nnnn4Cc4cccs4)CC3)nc2c1 ZINC000035291764 557679771 /nfs/dbraw/zinc/67/97/71/557679771.db2.gz FXBMQHKSQATPFO-UHFFFAOYSA-N 1 2 413.938 3.692 40 0 HHABLO COc1ccc(SCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000020039285 558325655 /nfs/dbraw/zinc/32/56/55/558325655.db2.gz RAHLGAGZEBONJH-RMKNXTFCSA-N 1 2 412.555 3.654 40 0 HHABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 ZINC000012118530 558329860 /nfs/dbraw/zinc/32/98/60/558329860.db2.gz ARESAGDWBNEPEY-IBGZPJMESA-N 1 2 412.497 3.603 40 0 HHABLO c1csc(-c2cnc(N3CCN(c4cccc[nH+]4)CC3)nc2-c2cccnc2)c1 ZINC000013267908 558528471 /nfs/dbraw/zinc/52/84/71/558528471.db2.gz CHVZCYQYRREQEG-UHFFFAOYSA-N 1 2 400.511 3.989 40 0 HHABLO C[C@@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013709184 558575270 /nfs/dbraw/zinc/57/52/70/558575270.db2.gz BSAGFZCNJRSIAX-GOSISDBHSA-N 1 2 418.493 3.680 40 0 HHABLO Cc1nccc(-c2cccc(-c3noc(C[N@H+](Cc4ccccc4)[C@H](C)CO)n3)c2)n1 ZINC000019287578 558861041 /nfs/dbraw/zinc/86/10/41/558861041.db2.gz SHQGZXWDBIFNKT-QGZVFWFLSA-N 1 2 415.497 3.885 40 0 HHABLO Cc1nccc(-c2cccc(-c3noc(C[N@@H+](Cc4ccccc4)[C@H](C)CO)n3)c2)n1 ZINC000019287578 558861045 /nfs/dbraw/zinc/86/10/45/558861045.db2.gz SHQGZXWDBIFNKT-QGZVFWFLSA-N 1 2 415.497 3.885 40 0 HHABLO COc1cccc([C@H](NC(=O)c2cc(-c3ccc(F)cc3)on2)c2[nH+]ccn2C)c1 ZINC000019291234 558863517 /nfs/dbraw/zinc/86/35/17/558863517.db2.gz BNYBHALVGPPKPZ-FQEVSTJZSA-N 1 2 406.417 3.742 40 0 HHABLO COc1ccc(C[N@@H+](Cc2c(C)nc3sccn23)C[C@H]2CCCO2)c(OC)c1 ZINC000057811164 558890885 /nfs/dbraw/zinc/89/08/85/558890885.db2.gz IVSYZJVFMUJYDF-GOSISDBHSA-N 1 2 401.532 3.903 40 0 HHABLO COc1ccc(C[N@H+](Cc2c(C)nc3sccn23)C[C@H]2CCCO2)c(OC)c1 ZINC000057811164 558890887 /nfs/dbraw/zinc/89/08/87/558890887.db2.gz IVSYZJVFMUJYDF-GOSISDBHSA-N 1 2 401.532 3.903 40 0 HHABLO COC[C@@H](C)Nc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019456660 558892112 /nfs/dbraw/zinc/89/21/12/558892112.db2.gz XVYIPJGGMRDJAO-MRXNPFEDSA-N 1 2 407.493 3.683 40 0 HHABLO COC[C@@H](C)Nc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019456660 558892114 /nfs/dbraw/zinc/89/21/14/558892114.db2.gz XVYIPJGGMRDJAO-MRXNPFEDSA-N 1 2 407.493 3.683 40 0 HHABLO Cc1cc(C(F)F)n2ncc(C(=O)N3CC[N@@H+](Cc4ccco4)C[C@@H]3C(C)C)c2n1 ZINC000072324112 558933206 /nfs/dbraw/zinc/93/32/06/558933206.db2.gz NHICHUONCCDUMW-GOSISDBHSA-N 1 2 417.460 3.551 40 0 HHABLO Cc1cc(C(F)F)n2ncc(C(=O)N3CC[N@H+](Cc4ccco4)C[C@@H]3C(C)C)c2n1 ZINC000072324112 558933210 /nfs/dbraw/zinc/93/32/10/558933210.db2.gz NHICHUONCCDUMW-GOSISDBHSA-N 1 2 417.460 3.551 40 0 HHABLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347831 558945042 /nfs/dbraw/zinc/94/50/42/558945042.db2.gz ZJIZXEQZVJTJIK-HYVNUMGLSA-N 1 2 405.926 3.580 40 0 HHABLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347831 558945044 /nfs/dbraw/zinc/94/50/44/558945044.db2.gz ZJIZXEQZVJTJIK-HYVNUMGLSA-N 1 2 405.926 3.580 40 0 HHABLO COc1ccc(CC(=O)N2CCC[C@H](c3nccnc3-n3cc[nH+]c3C(C)C)C2)cc1 ZINC000072350659 558947740 /nfs/dbraw/zinc/94/77/40/558947740.db2.gz GGEQUQJVGIGNFB-IBGZPJMESA-N 1 2 419.529 3.743 40 0 HHABLO COc1ccc(-c2cccc(C[C@H]3C(=O)N(C)CC[N@H+]3Cc3ccccn3)c2)cc1 ZINC000072351442 558947873 /nfs/dbraw/zinc/94/78/73/558947873.db2.gz MWMKIORQGFMOKB-DEOSSOPVSA-N 1 2 401.510 3.643 40 0 HHABLO COc1ccc(-c2cccc(C[C@H]3C(=O)N(C)CC[N@@H+]3Cc3ccccn3)c2)cc1 ZINC000072351442 558947875 /nfs/dbraw/zinc/94/78/75/558947875.db2.gz MWMKIORQGFMOKB-DEOSSOPVSA-N 1 2 401.510 3.643 40 0 HHABLO CCN1CC[N@H+](Cc2cccc(C)n2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000072351890 558948060 /nfs/dbraw/zinc/94/80/60/558948060.db2.gz DGFQWXWDRGWGNN-DEOSSOPVSA-N 1 2 400.526 3.727 40 0 HHABLO CCN1CC[N@@H+](Cc2cccc(C)n2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000072351890 558948062 /nfs/dbraw/zinc/94/80/62/558948062.db2.gz DGFQWXWDRGWGNN-DEOSSOPVSA-N 1 2 400.526 3.727 40 0 HHABLO CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCc3cccc(C)c3C)n1)C[N@H+](C)CC2 ZINC000072372361 558959668 /nfs/dbraw/zinc/95/96/68/558959668.db2.gz YMVVQXZHZWCJPP-JOCHJYFZSA-N 1 2 407.562 3.767 40 0 HHABLO CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCc3cccc(C)c3C)n1)C[N@@H+](C)CC2 ZINC000072372361 558959672 /nfs/dbraw/zinc/95/96/72/558959672.db2.gz YMVVQXZHZWCJPP-JOCHJYFZSA-N 1 2 407.562 3.767 40 0 HHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000019692170 558961962 /nfs/dbraw/zinc/96/19/62/558961962.db2.gz OUKPFZNRYGVJSI-UHFFFAOYSA-N 1 2 402.498 3.819 40 0 HHABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)Cc3ccc(OC)cc3)CC2)n1 ZINC000072378372 558967568 /nfs/dbraw/zinc/96/75/68/558967568.db2.gz PLYBRGNBCCPTAM-UHFFFAOYSA-N 1 2 404.514 3.787 40 0 HHABLO Cc1nc(C2CC[NH+](Cc3ncc[nH]3)CC2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000019705757 558968168 /nfs/dbraw/zinc/96/81/68/558968168.db2.gz XSBNATSLPNUYQN-UHFFFAOYSA-N 1 2 420.536 3.980 40 0 HHABLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nc3c(s2)CCCC3)cc1OC ZINC000072399285 558976888 /nfs/dbraw/zinc/97/68/88/558976888.db2.gz ZQRDPGFOCCXZPS-INIZCTEOSA-N 1 2 401.532 3.815 40 0 HHABLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nc3c(s2)CCCC3)cc1OC ZINC000072399285 558976890 /nfs/dbraw/zinc/97/68/90/558976890.db2.gz ZQRDPGFOCCXZPS-INIZCTEOSA-N 1 2 401.532 3.815 40 0 HHABLO CCOc1ccc(C(=O)N2CCc3[nH+]cc(-c4cccc(COC)c4)n3CC2)cc1 ZINC000585111289 559031860 /nfs/dbraw/zinc/03/18/60/559031860.db2.gz MTELFODIHNHQQR-UHFFFAOYSA-N 1 2 405.498 3.794 40 0 HHABLO COc1ccccc1C[NH2+][C@@H](c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1)C(C)C ZINC000100769457 559140190 /nfs/dbraw/zinc/14/01/90/559140190.db2.gz WERSGTBCFSIPNN-HSZRJFAPSA-N 1 2 410.518 3.824 40 0 HHABLO C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464084 560092766 /nfs/dbraw/zinc/09/27/66/560092766.db2.gz NELUAAQNGNDNGF-JSGCOSHPSA-N 1 2 412.412 3.543 40 0 biogenic,in-vitro HHABLO C[N@H+]1C[C@@H](NC(=O)C(C)(C)C)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464084 560092767 /nfs/dbraw/zinc/09/27/67/560092767.db2.gz NELUAAQNGNDNGF-JSGCOSHPSA-N 1 2 412.412 3.543 40 0 biogenic,in-vitro HHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000891747 560543032 /nfs/dbraw/zinc/54/30/32/560543032.db2.gz HAOPYVNPQYYHOT-OAQYLSRUSA-N 1 2 406.534 3.904 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000888862 560542120 /nfs/dbraw/zinc/54/21/20/560542120.db2.gz CQSBGWQJGGPHDT-OAQYLSRUSA-N 1 2 406.534 3.759 40 0 HHABLO CC(=O)c1ccc(S(=O)(=O)N2CCC(n3c(C)[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000001380409 560582845 /nfs/dbraw/zinc/58/28/45/560582845.db2.gz HTXGFKKHWXTISF-UHFFFAOYSA-N 1 2 415.490 3.712 40 0 HHABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000014327991 560841328 /nfs/dbraw/zinc/84/13/28/560841328.db2.gz VCNBHMONWNYVJB-UHFFFAOYSA-N 1 2 408.498 3.608 40 0 HHABLO COc1ccc(Cn2nnnc2[C@H](c2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020120929 560880630 /nfs/dbraw/zinc/88/06/30/560880630.db2.gz WSVAAGVNWMAKJP-DEOSSOPVSA-N 1 2 411.509 3.878 40 0 HHABLO COc1ccc(Cn2nnnc2[C@H](c2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000020120929 560880631 /nfs/dbraw/zinc/88/06/31/560880631.db2.gz WSVAAGVNWMAKJP-DEOSSOPVSA-N 1 2 411.509 3.878 40 0 HHABLO CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057671810 568493723 /nfs/dbraw/zinc/49/37/23/568493723.db2.gz XUSAILJEIKHRER-JOCHJYFZSA-N 1 2 404.562 3.806 40 0 HHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670748 568494877 /nfs/dbraw/zinc/49/48/77/568494877.db2.gz FQYCLVCHFBCECJ-OAQYLSRUSA-N 1 2 408.525 3.751 40 0 HHABLO Cc1ccc([N@H+](C)CCCNC(=O)c2cccc(I)c2)cc1 ZINC000224967360 568606616 /nfs/dbraw/zinc/60/66/16/568606616.db2.gz KLNCFVLRDJBCCQ-UHFFFAOYSA-N 1 2 408.283 3.856 40 0 HHABLO Cc1ccc([N@@H+](C)CCCNC(=O)c2cccc(I)c2)cc1 ZINC000224967360 568606618 /nfs/dbraw/zinc/60/66/18/568606618.db2.gz KLNCFVLRDJBCCQ-UHFFFAOYSA-N 1 2 408.283 3.856 40 0 HHABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)n2)n1C ZINC000257200186 568776201 /nfs/dbraw/zinc/77/62/01/568776201.db2.gz ACICRNJDTYPJBA-HNNXBMFYSA-N 1 2 411.456 3.559 40 0 HHABLO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)c4ccccc4)CCO3)c2)n1 ZINC000257246219 568789254 /nfs/dbraw/zinc/78/92/54/568789254.db2.gz ITCZZWITTGWNET-NRFANRHFSA-N 1 2 403.486 3.754 40 0 HHABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccc(C(C)C)cc3)n[nH]2)C1 ZINC000257267261 568794848 /nfs/dbraw/zinc/79/48/48/568794848.db2.gz MGOUMUAAMGQTPA-DEOSSOPVSA-N 1 2 423.561 3.770 40 0 HHABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccc(C(C)C)cc3)n[nH]2)C1 ZINC000257267261 568794851 /nfs/dbraw/zinc/79/48/51/568794851.db2.gz MGOUMUAAMGQTPA-DEOSSOPVSA-N 1 2 423.561 3.770 40 0 HHABLO Cc1cc(C)cc(C2(C(=O)N3CCC[C@@](C)(c4cc(N)nc(C)[nH+]4)C3)CCOCC2)c1 ZINC000257277921 568798036 /nfs/dbraw/zinc/79/80/36/568798036.db2.gz OABCSRAOOKFGFO-XMMPIXPASA-N 1 2 422.573 3.613 40 0 HHABLO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4cccnc4N(C)C)CCO3)n2)cc1 ZINC000257282865 568799287 /nfs/dbraw/zinc/79/92/87/568799287.db2.gz OVPJJIWDTMSZGP-HSZRJFAPSA-N 1 2 404.514 3.792 40 0 HHABLO COc1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cccnc4N(C)C)CCO3)n2)cc1 ZINC000257282865 568799289 /nfs/dbraw/zinc/79/92/89/568799289.db2.gz OVPJJIWDTMSZGP-HSZRJFAPSA-N 1 2 404.514 3.792 40 0 HHABLO COc1ccccc1OC[C@@H](C)Nc1cc(-c2cc(C(C)(C)C)nn2C)[nH+]c(N)n1 ZINC000257310430 568807593 /nfs/dbraw/zinc/80/75/93/568807593.db2.gz UFARBOIYNNKCOR-CQSZACIVSA-N 1 2 410.522 3.645 40 0 HHABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(Cl)cc1 ZINC000257317741 568809652 /nfs/dbraw/zinc/80/96/52/568809652.db2.gz VKXYBZUATNNJRM-UNMCSNQZSA-N 1 2 400.906 3.729 40 0 HHABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1ccc(Cl)cc1 ZINC000257317741 568809654 /nfs/dbraw/zinc/80/96/54/568809654.db2.gz VKXYBZUATNNJRM-UNMCSNQZSA-N 1 2 400.906 3.729 40 0 HHABLO COc1ccc(C(=O)N2C[C@H]3CCn4c(-c5cccc(OC)c5)c[nH+]c4[C@@H]3C2)cc1 ZINC000306130611 568893036 /nfs/dbraw/zinc/89/30/36/568893036.db2.gz JKVXIARMYWHLOX-WIYYLYMNSA-N 1 2 403.482 3.827 40 0 HHABLO Cn1nc(-c2ccc(F)cc2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNCc1ccccn1 ZINC000035415802 569036040 /nfs/dbraw/zinc/03/60/40/569036040.db2.gz AZWBXGPXYJMOJK-BWAGFHJFSA-N 1 2 405.521 3.589 40 0 biogenic,in-vitro HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(C)n1 ZINC000261364314 569413683 /nfs/dbraw/zinc/41/36/83/569413683.db2.gz KPWQVBTWGODQMR-NRFANRHFSA-O 1 2 422.534 3.646 40 0 HHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529873 291250698 /nfs/dbraw/zinc/25/06/98/291250698.db2.gz GCZYRJHZXNVFMG-OALUTQOASA-N 1 2 405.502 3.604 40 0 biogenic,in-vitro HHABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529873 291250699 /nfs/dbraw/zinc/25/06/99/291250699.db2.gz GCZYRJHZXNVFMG-OALUTQOASA-N 1 2 405.502 3.604 40 0 biogenic,in-vitro HHABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@H]3F)nc2c1 ZINC000096112371 291251014 /nfs/dbraw/zinc/25/10/14/291251014.db2.gz CPCFJNQTGBWBHN-APWZRJJASA-N 1 2 417.868 3.742 40 0 biogenic,in-vitro HHABLO COC(=O)c1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@H]3F)nc2c1 ZINC000096112371 291251016 /nfs/dbraw/zinc/25/10/16/291251016.db2.gz CPCFJNQTGBWBHN-APWZRJJASA-N 1 2 417.868 3.742 40 0 biogenic,in-vitro HHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529799 291250707 /nfs/dbraw/zinc/25/07/07/291250707.db2.gz NMNRBEGJBKTCOC-IRXDYDNUSA-N 1 2 400.841 3.704 40 0 biogenic,in-vitro HHABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529799 291250708 /nfs/dbraw/zinc/25/07/08/291250708.db2.gz NMNRBEGJBKTCOC-IRXDYDNUSA-N 1 2 400.841 3.704 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(F)cc3)n2)cc1 ZINC000015675695 291254343 /nfs/dbraw/zinc/25/43/43/291254343.db2.gz JWIDPOJIXPFZFG-FQEVSTJZSA-N 1 2 405.433 3.907 40 0 biogenic,in-vitro HHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2CCc3ccccc32)cc1 ZINC000001346563 557256984 /nfs/dbraw/zinc/25/69/84/557256984.db2.gz DFXPVRUZYITSDV-UHFFFAOYSA-N 1 2 417.494 3.506 40 0 HHABLO COc1ccc(/C=C/C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(OC)c1OC ZINC000408570116 557467389 /nfs/dbraw/zinc/46/73/89/557467389.db2.gz ZDSNAKWQZLJHBZ-ZZZNDOSKSA-N 1 2 422.525 3.583 40 0 HHABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000035855916 557645043 /nfs/dbraw/zinc/64/50/43/557645043.db2.gz ZJJGWZQWROXYET-NCYKPQTJSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000035855916 557645044 /nfs/dbraw/zinc/64/50/44/557645044.db2.gz ZJJGWZQWROXYET-NCYKPQTJSA-N 1 2 422.912 3.792 40 0 HHABLO C[C@@H]1S[C@@]2(c3ccccc3N(C[NH+]3CCCCC3)C2=O)N(c2ccccc2)C1=O ZINC000005521154 557659606 /nfs/dbraw/zinc/65/96/06/557659606.db2.gz HAOMKHJWGUGOKJ-GAJHUEQPSA-N 1 2 407.539 3.798 40 0 HHABLO Cc1[nH]c2ccccc2c1CCNC(=O)C1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000012116363 558328606 /nfs/dbraw/zinc/32/86/06/558328606.db2.gz MSPXNDRZVZJRTP-UHFFFAOYSA-N 1 2 415.541 3.938 40 0 HHABLO COCCCNc1nc(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012123249 558330977 /nfs/dbraw/zinc/33/09/77/558330977.db2.gz NKABHUJZUAGFPY-UHFFFAOYSA-N 1 2 407.493 3.684 40 0 HHABLO COCCCNc1nc(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012123249 558330978 /nfs/dbraw/zinc/33/09/78/558330978.db2.gz NKABHUJZUAGFPY-UHFFFAOYSA-N 1 2 407.493 3.684 40 0 HHABLO CCOC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC000022524216 558495425 /nfs/dbraw/zinc/49/54/25/558495425.db2.gz KIHHBAGOZUFHLA-UHFFFAOYSA-N 1 2 402.878 3.601 40 0 HHABLO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1nc3ccccc3n1C(C)C)CC2 ZINC000036735052 558801493 /nfs/dbraw/zinc/80/14/93/558801493.db2.gz AHGCMWFGHVKKFC-UHFFFAOYSA-N 1 2 418.545 3.574 40 0 HHABLO Cn1cc(-c2cc(C(=O)Nc3cccc(CCc4[nH]c5ccccc5[nH+]4)c3)no2)cn1 ZINC000019290763 558863167 /nfs/dbraw/zinc/86/31/67/558863167.db2.gz LQILYNVTNZXHSC-UHFFFAOYSA-N 1 2 412.453 3.989 40 0 HHABLO COCCc1ncc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cn1 ZINC000019565103 558925259 /nfs/dbraw/zinc/92/52/59/558925259.db2.gz HSFAFEKWZBHYNE-UHFFFAOYSA-N 1 2 417.460 3.827 40 0 HHABLO Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)c2)n1 ZINC000019574516 558932092 /nfs/dbraw/zinc/93/20/92/558932092.db2.gz FWLLDOBBFYCFKQ-JOCHJYFZSA-N 1 2 417.488 3.940 40 0 HHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 ZINC000072353717 558950885 /nfs/dbraw/zinc/95/08/85/558950885.db2.gz YMGYKXVXZBFWKG-LJQANCHMSA-N 1 2 408.546 3.826 40 0 HHABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000072355638 558952785 /nfs/dbraw/zinc/95/27/85/558952785.db2.gz YADQIZQLHFKYQC-UHFFFAOYSA-N 1 2 407.493 3.703 40 0 HHABLO O=C(C[NH+]1CCC(c2ccc(Nc3ncccn3)cn2)CC1)Nc1ccccc1F ZINC000072374184 558961435 /nfs/dbraw/zinc/96/14/35/558961435.db2.gz WPWKQZSKTOYCNV-UHFFFAOYSA-N 1 2 406.465 3.572 40 0 HHABLO CNc1nc(C)c(C(=O)N2CCC(c3cc(-c4ccc(N)[nH+]c4)cc(C)n3)CC2)s1 ZINC000019692178 558961905 /nfs/dbraw/zinc/96/19/05/558961905.db2.gz GXGGNCKLOQOGRX-UHFFFAOYSA-N 1 2 422.558 3.861 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000072383113 558969173 /nfs/dbraw/zinc/96/91/73/558969173.db2.gz CZNKIKIZCWZKPS-GOSISDBHSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000072383113 558969174 /nfs/dbraw/zinc/96/91/74/558969174.db2.gz CZNKIKIZCWZKPS-GOSISDBHSA-N 1 2 404.495 3.517 40 0 HHABLO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c(OC)c1 ZINC000072394288 558973524 /nfs/dbraw/zinc/97/35/24/558973524.db2.gz FQVCHOVSKAWMPY-OAHLLOKOSA-N 1 2 424.950 3.535 40 0 HHABLO COc1ccc(C[N@H+]2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)c(OC)c1 ZINC000072394288 558973526 /nfs/dbraw/zinc/97/35/26/558973526.db2.gz FQVCHOVSKAWMPY-OAHLLOKOSA-N 1 2 424.950 3.535 40 0 HHABLO COc1ccccc1N1CC[N@H+](Cc2c(C)n(C)nc2-c2ccccc2)[C@H](C)C1=O ZINC000019715860 558977352 /nfs/dbraw/zinc/97/73/52/558977352.db2.gz DIWKRLKTUCVRRD-GOSISDBHSA-N 1 2 404.514 3.641 40 0 HHABLO COc1ccccc1N1CC[N@@H+](Cc2c(C)n(C)nc2-c2ccccc2)[C@H](C)C1=O ZINC000019715860 558977354 /nfs/dbraw/zinc/97/73/54/558977354.db2.gz DIWKRLKTUCVRRD-GOSISDBHSA-N 1 2 404.514 3.641 40 0 HHABLO Cc1csc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)n2)n1 ZINC000585290319 559122818 /nfs/dbraw/zinc/12/28/18/559122818.db2.gz AGFWJKJQWSTFPV-MOEXGYKKSA-N 1 2 409.519 3.784 40 0 HHABLO Cc1cccc(Nc2cc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)n1 ZINC000585291637 559123989 /nfs/dbraw/zinc/12/39/89/559123989.db2.gz SSNWKONKDAWOES-YXBWYFRISA-N 1 2 403.490 3.722 40 0 HHABLO COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCc3[nH]cc[nH+]3)CCCO2)cc1 ZINC000257247293 559284420 /nfs/dbraw/zinc/28/44/20/559284420.db2.gz IYIDFSQWLMWUKY-HSZRJFAPSA-N 1 2 409.461 3.633 40 0 HHABLO COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCc3[nH]cc[nH+]3)CCCO2)cc1 ZINC000257247294 559284449 /nfs/dbraw/zinc/28/44/49/559284449.db2.gz IYIDFSQWLMWUKY-QHCPKHFHSA-N 1 2 409.461 3.633 40 0 HHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889295 560542368 /nfs/dbraw/zinc/54/23/68/560542368.db2.gz SYAUZEKXEWSNHU-NRFANRHFSA-N 1 2 406.534 3.904 40 0 HHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000890226 560542402 /nfs/dbraw/zinc/54/24/02/560542402.db2.gz PTCLWSGFWNACDV-NRFANRHFSA-N 1 2 422.533 3.604 40 0 HHABLO CCOc1ccc(OCC)c(NC(=O)C[N@@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)c1 ZINC000007991641 560752557 /nfs/dbraw/zinc/75/25/57/560752557.db2.gz BYTCDPQHSGCNDS-IBGZPJMESA-N 1 2 411.546 3.942 40 0 HHABLO CCOc1ccc(OCC)c(NC(=O)C[N@H+]2CCN(c3cccc(C)c3)[C@@H](C)C2)c1 ZINC000007991641 560752558 /nfs/dbraw/zinc/75/25/58/560752558.db2.gz BYTCDPQHSGCNDS-IBGZPJMESA-N 1 2 411.546 3.942 40 0 HHABLO CCC(=O)NC(=S)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3)nc2cc1C ZINC000017088603 560863586 /nfs/dbraw/zinc/86/35/86/560863586.db2.gz OCYSNYJEVPFWNT-UHFFFAOYSA-N 1 2 410.547 3.798 40 0 HHABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)c4cc(F)cc(F)c4)C3)n2)n1C ZINC000257200187 568776122 /nfs/dbraw/zinc/77/61/22/568776122.db2.gz ACICRNJDTYPJBA-OAHLLOKOSA-N 1 2 411.456 3.559 40 0 HHABLO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccccn1 ZINC000257226974 568784210 /nfs/dbraw/zinc/78/42/10/568784210.db2.gz FNBACVUHFOCASE-OAQYLSRUSA-N 1 2 408.477 3.595 40 0 HHABLO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccccn1 ZINC000257226974 568784211 /nfs/dbraw/zinc/78/42/11/568784211.db2.gz FNBACVUHFOCASE-OAQYLSRUSA-N 1 2 408.477 3.595 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(Nc3cc(C)n(C)n3)n2)C1 ZINC000257245856 568789130 /nfs/dbraw/zinc/78/91/30/568789130.db2.gz IRIMCYWULWUYCQ-OAQYLSRUSA-N 1 2 407.518 3.758 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(Nc3cc(C)n(C)n3)n2)C1 ZINC000257245856 568789131 /nfs/dbraw/zinc/78/91/31/568789131.db2.gz IRIMCYWULWUYCQ-OAQYLSRUSA-N 1 2 407.518 3.758 40 0 HHABLO CCc1nnc(Nc2cccc([C@H]3C[N@H+](Cc4cnc(C)s4)CCO3)n2)s1 ZINC000257245476 568789152 /nfs/dbraw/zinc/78/91/52/568789152.db2.gz IPQYJVTVYWLVNY-OAHLLOKOSA-N 1 2 402.549 3.578 40 0 HHABLO CCc1nnc(Nc2cccc([C@H]3C[N@@H+](Cc4cnc(C)s4)CCO3)n2)s1 ZINC000257245476 568789153 /nfs/dbraw/zinc/78/91/53/568789153.db2.gz IPQYJVTVYWLVNY-OAHLLOKOSA-N 1 2 402.549 3.578 40 0 HHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCOC)cc2)n1 ZINC000257247221 568789502 /nfs/dbraw/zinc/78/95/02/568789502.db2.gz IYALCORPPNAKBV-OAQYLSRUSA-N 1 2 420.513 3.832 40 0 HHABLO Cc1nc2cc([C@H]3CCC[N@@H+]3Cc3ccncc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257268274 568795205 /nfs/dbraw/zinc/79/52/05/568795205.db2.gz MKYOBPKLLMSCPB-JOCHJYFZSA-N 1 2 420.561 3.535 40 0 HHABLO Cc1nc2cc([C@H]3CCC[N@H+]3Cc3ccncc3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257268274 568795206 /nfs/dbraw/zinc/79/52/06/568795206.db2.gz MKYOBPKLLMSCPB-JOCHJYFZSA-N 1 2 420.561 3.535 40 0 HHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)c(C)n1 ZINC000257274463 568796887 /nfs/dbraw/zinc/79/68/87/568796887.db2.gz NLDSLMHYUQCAMF-IBGZPJMESA-N 1 2 412.563 3.997 40 0 HHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)c(C)n1 ZINC000257274463 568796888 /nfs/dbraw/zinc/79/68/88/568796888.db2.gz NLDSLMHYUQCAMF-IBGZPJMESA-N 1 2 412.563 3.997 40 0 HHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(Nc4ncc(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257290798 568801624 /nfs/dbraw/zinc/80/16/24/568801624.db2.gz QEJFSFCCAXYMQZ-FQEVSTJZSA-N 1 2 412.563 3.997 40 0 HHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(Nc4ncc(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257290798 568801625 /nfs/dbraw/zinc/80/16/25/568801625.db2.gz QEJFSFCCAXYMQZ-FQEVSTJZSA-N 1 2 412.563 3.997 40 0 HHABLO COc1cc(C)ccc1CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000257293680 568802624 /nfs/dbraw/zinc/80/26/24/568802624.db2.gz QQRRFEJXRDKCDQ-IBGZPJMESA-N 1 2 405.502 3.737 40 0 HHABLO CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)CCn4cc[nH+]c4)CC3)C[C@@H]21 ZINC000257313249 568808062 /nfs/dbraw/zinc/80/80/62/568808062.db2.gz URNYWJVOTYWXCC-SIKLNZKXSA-N 1 2 409.530 3.831 40 0 HHABLO C[N@H+](CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccccn1 ZINC000257323812 568811400 /nfs/dbraw/zinc/81/14/00/568811400.db2.gz WLXPSTMGQGYGMW-JOCHJYFZSA-N 1 2 422.504 3.985 40 0 HHABLO C[N@@H+](CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccccn1 ZINC000257323812 568811403 /nfs/dbraw/zinc/81/14/03/568811403.db2.gz WLXPSTMGQGYGMW-JOCHJYFZSA-N 1 2 422.504 3.985 40 0 HHABLO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257338551 568815563 /nfs/dbraw/zinc/81/55/63/568815563.db2.gz YXXSPIJJBDEPNZ-FPOVZHCZSA-N 1 2 406.885 3.630 40 0 HHABLO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257338551 568815564 /nfs/dbraw/zinc/81/55/64/568815564.db2.gz YXXSPIJJBDEPNZ-FPOVZHCZSA-N 1 2 406.885 3.630 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(F)cccc1Cl ZINC000261362747 568819310 /nfs/dbraw/zinc/81/93/10/568819310.db2.gz DYKNEDCKUVSVQN-SFHVURJKSA-O 1 2 417.873 3.565 40 0 HHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccco1 ZINC000261363327 568819545 /nfs/dbraw/zinc/81/95/45/568819545.db2.gz GUYLVQRWGSHJKG-HXUWFJFHSA-O 1 2 411.507 3.925 40 0 HHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccnc1 ZINC000261364571 568819609 /nfs/dbraw/zinc/81/96/09/568819609.db2.gz MHKDJWYAWDENTM-NRFANRHFSA-O 1 2 422.534 3.727 40 0 HHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccnc1 ZINC000261364572 568819627 /nfs/dbraw/zinc/81/96/27/568819627.db2.gz MHKDJWYAWDENTM-OAQYLSRUSA-O 1 2 422.534 3.727 40 0 HHABLO Cc1cccc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)n1 ZINC000306143821 568905233 /nfs/dbraw/zinc/90/52/33/568905233.db2.gz YNNXUNJJUWLTOI-QHCPKHFHSA-N 1 2 416.504 3.728 40 0 HHABLO Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)n1 ZINC000306143821 568905234 /nfs/dbraw/zinc/90/52/34/568905234.db2.gz YNNXUNJJUWLTOI-QHCPKHFHSA-N 1 2 416.504 3.728 40 0 HHABLO CNc1nc(Nc2ccc(OC)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329005700 568972115 /nfs/dbraw/zinc/97/21/15/568972115.db2.gz KYMONLJQZSFCQY-UHFFFAOYSA-N 1 2 408.355 3.819 40 0 HHABLO CC(C)Nc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329068263 568975749 /nfs/dbraw/zinc/97/57/49/568975749.db2.gz YNUMNOGOYWTJJP-UHFFFAOYSA-N 1 2 417.435 3.756 40 0 HHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)[nH+]1 ZINC000329034279 571306222 /nfs/dbraw/zinc/30/62/22/571306222.db2.gz QXCVPQJBORDNRD-INIZCTEOSA-N 1 2 409.303 4.428 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cc1 ZINC000096111846 291254975 /nfs/dbraw/zinc/25/49/75/291254975.db2.gz WHERIAOAEJSVKK-GMAHTHKFSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cc1 ZINC000096111846 291254978 /nfs/dbraw/zinc/25/49/78/291254978.db2.gz WHERIAOAEJSVKK-GMAHTHKFSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccccn2)C3)cc1 ZINC000096111886 291254701 /nfs/dbraw/zinc/25/47/01/291254701.db2.gz HRTNYPVMKOUOCO-GMAHTHKFSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccccn2)C3)cc1 ZINC000096111886 291254703 /nfs/dbraw/zinc/25/47/03/291254703.db2.gz HRTNYPVMKOUOCO-GMAHTHKFSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO F[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112130 291258221 /nfs/dbraw/zinc/25/82/21/291258221.db2.gz JEIKRIJBJMROOQ-PBHICJAKSA-N 1 2 410.371 3.596 40 0 biogenic,in-vitro HHABLO F[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112130 291258224 /nfs/dbraw/zinc/25/82/24/291258224.db2.gz JEIKRIJBJMROOQ-PBHICJAKSA-N 1 2 410.371 3.596 40 0 biogenic,in-vitro HHABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3cccc(F)c3)N(Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000032508606 527314252 /nfs/dbraw/zinc/31/42/52/527314252.db2.gz BYIDXOSCICTHRH-ROUUACIJSA-N 1 2 424.950 3.750 40 0 HHABLO COC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408576148 557479664 /nfs/dbraw/zinc/47/96/64/557479664.db2.gz RWYCIZPVFFIFRA-ZDUSSCGKSA-N 1 2 404.557 3.783 40 0 HHABLO COC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408576148 557479665 /nfs/dbraw/zinc/47/96/65/557479665.db2.gz RWYCIZPVFFIFRA-ZDUSSCGKSA-N 1 2 404.557 3.783 40 0 HHABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012118529 558329887 /nfs/dbraw/zinc/32/98/87/558329887.db2.gz ARESAGDWBNEPEY-LJQANCHMSA-N 1 2 412.497 3.603 40 0 HHABLO O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020459026 558371701 /nfs/dbraw/zinc/37/17/01/558371701.db2.gz YDIOVLMFQDLNBG-UHFFFAOYSA-N 1 2 421.541 3.834 40 0 HHABLO CC(C)c1ccc([C@H]([C@@H](C(=O)c2ccccc2)N2CCOCC2)[NH+]2CCOCC2)cc1 ZINC000019366179 558876981 /nfs/dbraw/zinc/87/69/81/558876981.db2.gz QPEVDJKHPSJWEK-RPBOFIJWSA-N 1 2 422.569 3.767 40 0 HHABLO COC[C@@H](C)Nc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019456668 558892069 /nfs/dbraw/zinc/89/20/69/558892069.db2.gz GTZKNPZNHKKRIV-MRXNPFEDSA-N 1 2 407.493 3.683 40 0 HHABLO COC[C@@H](C)Nc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019456668 558892072 /nfs/dbraw/zinc/89/20/72/558892072.db2.gz GTZKNPZNHKKRIV-MRXNPFEDSA-N 1 2 407.493 3.683 40 0 HHABLO CNc1ncc(C[NH+]2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)cn1 ZINC000019565109 558925216 /nfs/dbraw/zinc/92/52/16/558925216.db2.gz XLOGYPMRWFXOBS-UHFFFAOYSA-N 1 2 406.412 3.761 40 0 HHABLO COc1cccc(OC)c1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019567080 558926479 /nfs/dbraw/zinc/92/64/79/558926479.db2.gz UVTOPXYRIBKDFQ-LJQANCHMSA-N 1 2 406.486 3.989 40 0 HHABLO COc1cccc(OC)c1C[N@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019567080 558926481 /nfs/dbraw/zinc/92/64/81/558926481.db2.gz UVTOPXYRIBKDFQ-LJQANCHMSA-N 1 2 406.486 3.989 40 0 HHABLO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)nc1C ZINC000072345442 558941797 /nfs/dbraw/zinc/94/17/97/558941797.db2.gz CDISNSNIWAWRKS-HXUWFJFHSA-N 1 2 420.517 3.507 40 0 HHABLO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)nc1C ZINC000072345442 558941799 /nfs/dbraw/zinc/94/17/99/558941799.db2.gz CDISNSNIWAWRKS-HXUWFJFHSA-N 1 2 420.517 3.507 40 0 HHABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[nH]n4c2=O)C3)cc1OC(C)C ZINC000072373131 558960854 /nfs/dbraw/zinc/96/08/54/558960854.db2.gz DKLYDRPNHJYBIL-ZWKOTPCHSA-N 1 2 422.529 3.671 40 0 HHABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[nH]n4c2=O)C3)cc1OC(C)C ZINC000072373131 558960856 /nfs/dbraw/zinc/96/08/56/558960856.db2.gz DKLYDRPNHJYBIL-ZWKOTPCHSA-N 1 2 422.529 3.671 40 0 HHABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000019697626 558965296 /nfs/dbraw/zinc/96/52/96/558965296.db2.gz ZPHGXRBCFBAGTP-GOSISDBHSA-N 1 2 412.559 3.968 40 0 HHABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000019697626 558965299 /nfs/dbraw/zinc/96/52/99/558965299.db2.gz ZPHGXRBCFBAGTP-GOSISDBHSA-N 1 2 412.559 3.968 40 0 HHABLO CCn1ccnc1C[NH+]1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698468 558965903 /nfs/dbraw/zinc/96/59/03/558965903.db2.gz QVYQDHCVOPXKEM-QFIPXVFZSA-N 1 2 410.537 3.859 40 0 HHABLO Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)Cn4c(C)[nH+]c5ccccc54)CC3)n2n1 ZINC000257321305 559012100 /nfs/dbraw/zinc/01/21/00/559012100.db2.gz WBBMRJSKMAFOCN-WGSAOQKQSA-N 1 2 416.529 3.786 40 0 HHABLO Cc1cnc(Nc2cc([C@@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)s1 ZINC000585291366 559123731 /nfs/dbraw/zinc/12/37/31/559123731.db2.gz OGKIFOZGAHCHRM-LXXRFIIISA-N 1 2 409.519 3.784 40 0 HHABLO COc1cccc(-c2cccc(CC3(C(=O)NCc4[nH]cc[nH+]4)CCOCC3)c2)c1 ZINC000257333507 559283372 /nfs/dbraw/zinc/28/33/72/559283372.db2.gz YBVRNOPXMDWRHS-UHFFFAOYSA-N 1 2 405.498 3.741 40 0 HHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc12 ZINC000000910073 560545997 /nfs/dbraw/zinc/54/59/97/560545997.db2.gz ZALYQLAUKQDEIJ-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCCCC3)cc2c1 ZINC000000911806 560546058 /nfs/dbraw/zinc/54/60/58/560546058.db2.gz YXOFMKDCGSQWHW-FQEVSTJZSA-N 1 2 424.549 3.634 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000020139930 560881206 /nfs/dbraw/zinc/88/12/06/560881206.db2.gz OXFFKPRKKMBIMC-JOCHJYFZSA-N 1 2 420.561 3.738 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@H](CC(C)C)c3nnnn3Cc3ccco3)CC2)c1 ZINC000057671256 568495136 /nfs/dbraw/zinc/49/51/36/568495136.db2.gz VCTUBUXBRCLRLZ-JOCHJYFZSA-N 1 2 408.550 3.841 40 0 HHABLO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c(C)c1 ZINC000025064063 568514820 /nfs/dbraw/zinc/51/48/20/568514820.db2.gz FCHMDJCWXMJZHD-UHFFFAOYSA-N 1 2 408.498 3.608 40 0 HHABLO CC(C)n1c2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2sc1=O ZINC000225132109 568616575 /nfs/dbraw/zinc/61/65/75/568616575.db2.gz CQOMXVTUQJKGJB-UHFFFAOYSA-N 1 2 411.527 3.728 40 0 HHABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1OCC ZINC000095534507 568635608 /nfs/dbraw/zinc/63/56/08/568635608.db2.gz YAHDBQMIWZRYMG-LJQANCHMSA-N 1 2 402.882 3.883 40 0 HHABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225520037 568646210 /nfs/dbraw/zinc/64/62/10/568646210.db2.gz WXTBICIZCWILSO-UHFFFAOYSA-N 1 2 412.505 3.987 40 0 HHABLO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225619347 568657674 /nfs/dbraw/zinc/65/76/74/568657674.db2.gz CXAWYRQOSTUTPS-RUZDIDTESA-N 1 2 422.569 3.871 40 0 HHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(Nc4ncccn4)n3)C1)CCC2 ZINC000257212089 568779536 /nfs/dbraw/zinc/77/95/36/568779536.db2.gz CBXLWPRKKXWWSP-JOCHJYFZSA-N 1 2 417.513 3.686 40 0 HHABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(Nc4ncccn4)n3)C1)CCC2 ZINC000257212089 568779537 /nfs/dbraw/zinc/77/95/37/568779537.db2.gz CBXLWPRKKXWWSP-JOCHJYFZSA-N 1 2 417.513 3.686 40 0 HHABLO Cc1cccc(CNc2cc(-c3cn(C)nc3[C@@H]3CCN(C(=O)C4CC4)C3)cc[nH+]2)n1 ZINC000257219387 568781841 /nfs/dbraw/zinc/78/18/41/568781841.db2.gz DGPFHIHMWICNRX-LJQANCHMSA-N 1 2 416.529 3.524 40 0 HHABLO CCCN1CC[N@H+](Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257246121 568789035 /nfs/dbraw/zinc/78/90/35/568789035.db2.gz ISODMHDRGOUSIW-QFIPXVFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CC[N@@H+](Cc2ncc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257246121 568789037 /nfs/dbraw/zinc/78/90/37/568789037.db2.gz ISODMHDRGOUSIW-QFIPXVFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CCN(Cc2[nH]cc[nH+]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000257246121 568789039 /nfs/dbraw/zinc/78/90/39/568789039.db2.gz ISODMHDRGOUSIW-QFIPXVFZSA-N 1 2 402.542 3.990 40 0 HHABLO CN(C)c1cc([C@H]2CCCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)cc[nH+]1 ZINC000257269730 568795527 /nfs/dbraw/zinc/79/55/27/568795527.db2.gz MRDRHZGBKYGQJU-QFIPXVFZSA-N 1 2 407.558 3.893 40 0 HHABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257277751 568797707 /nfs/dbraw/zinc/79/77/07/568797707.db2.gz NZFJLBGWDZRPPG-HSZRJFAPSA-N 1 2 414.513 3.659 40 0 HHABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCO[C@@H](c2cccc(-c3cn[nH]c3)n2)C1 ZINC000257277751 568797709 /nfs/dbraw/zinc/79/77/09/568797709.db2.gz NZFJLBGWDZRPPG-HSZRJFAPSA-N 1 2 414.513 3.659 40 0 HHABLO Cn1cc(-c2cc[nH+]c(NCc3ccc(F)cc3)c2)c([C@H]2CCN(C(=O)C3CC3)C2)n1 ZINC000257303503 568805505 /nfs/dbraw/zinc/80/55/05/568805505.db2.gz SHNIUIZXVGAVES-IBGZPJMESA-N 1 2 419.504 3.959 40 0 HHABLO Cc1cccnc1Nc1ccc([C@@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)nc1 ZINC000257306485 568806592 /nfs/dbraw/zinc/80/65/92/568806592.db2.gz SULFKRCPOCUVOR-NRFANRHFSA-N 1 2 404.518 3.563 40 0 HHABLO Cc1cccnc1Nc1ccc([C@@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)nc1 ZINC000257306485 568806593 /nfs/dbraw/zinc/80/65/93/568806593.db2.gz SULFKRCPOCUVOR-NRFANRHFSA-N 1 2 404.518 3.563 40 0 HHABLO Cc1[nH]c2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4cnc(C(C)C)nc4)C3)cc2[nH+]1 ZINC000257317757 568809576 /nfs/dbraw/zinc/80/95/76/568809576.db2.gz VKZQUEVYKNKITR-INIZCTEOSA-N 1 2 420.517 3.666 40 0 HHABLO O=C(C[NH+]1CCC(c2cncc(Nc3ccc(F)cn3)n2)CC1)Nc1ccccc1F ZINC000257335217 568814803 /nfs/dbraw/zinc/81/48/03/568814803.db2.gz YJEBZPBHWKOIOF-UHFFFAOYSA-N 1 2 424.455 3.712 40 0 HHABLO COc1cccc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)c1OC ZINC000257341607 568816387 /nfs/dbraw/zinc/81/63/87/568816387.db2.gz ZLAWDFARFMEGCG-NRFANRHFSA-N 1 2 406.486 3.811 40 0 HHABLO COc1cccc(C[N@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)c1OC ZINC000257341607 568816389 /nfs/dbraw/zinc/81/63/89/568816389.db2.gz ZLAWDFARFMEGCG-NRFANRHFSA-N 1 2 406.486 3.811 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C(C)=Cc1ccccc1 ZINC000261365985 568819789 /nfs/dbraw/zinc/81/97/89/568819789.db2.gz WTDPDECOKBPREB-ARKBFRDHSA-O 1 2 405.503 3.827 40 0 HHABLO COc1ccc(-c2cccc3nc([C@@H]4C[N@H+](Cc5nccs5)CCN4C)cn32)cc1 ZINC000306139855 568901691 /nfs/dbraw/zinc/90/16/91/568901691.db2.gz UCOHJLOIHYJSSJ-NRFANRHFSA-N 1 2 419.554 3.955 40 0 HHABLO COc1ccc(-c2cccc3nc([C@@H]4C[N@@H+](Cc5nccs5)CCN4C)cn32)cc1 ZINC000306139855 568901694 /nfs/dbraw/zinc/90/16/94/568901694.db2.gz UCOHJLOIHYJSSJ-NRFANRHFSA-N 1 2 419.554 3.955 40 0 HHABLO Cc1cc(CN2CCC[C@]3(C[N@H+](Cc4cccc(C)c4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306142246 568903690 /nfs/dbraw/zinc/90/36/90/568903690.db2.gz WUNOLCXACOITDD-QFIPXVFZSA-N 1 2 416.516 3.687 40 0 HHABLO Cc1cc(CN2CCC[C@]3(C[N@@H+](Cc4cccc(C)c4)CC(F)(F)C3)C2=O)n(C)n1 ZINC000306142246 568903692 /nfs/dbraw/zinc/90/36/92/568903692.db2.gz WUNOLCXACOITDD-QFIPXVFZSA-N 1 2 416.516 3.687 40 0 HHABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000328963746 568969978 /nfs/dbraw/zinc/96/99/78/568969978.db2.gz BQCJEFRUMLKXSJ-UHFFFAOYSA-N 1 2 413.319 3.515 40 0 HHABLO CNc1nc(Nc2cc(OC)cc(OC)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329018358 568972901 /nfs/dbraw/zinc/97/29/01/568972901.db2.gz NQUCDSZBMHVPCV-UHFFFAOYSA-N 1 2 420.391 3.689 40 0 HHABLO Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000007468817 569337573 /nfs/dbraw/zinc/33/75/73/569337573.db2.gz SMNAJWRJVZSJBO-KGENOOAVSA-N 1 2 420.513 3.565 40 0 HHABLO COc1ccccc1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000008433923 569341026 /nfs/dbraw/zinc/34/10/26/569341026.db2.gz HXPAOLQSVSUDFN-UHFFFAOYSA-N 1 2 418.493 3.879 40 0 HHABLO COc1cccc(-c2ccc([C@@H]3C[N@H+](Cc4cccnc4N(C)C)CCO3)nc2)c1 ZINC000019693510 569346399 /nfs/dbraw/zinc/34/63/99/569346399.db2.gz ADKZZBCOUKIVEW-QHCPKHFHSA-N 1 2 404.514 3.792 40 0 HHABLO COc1cccc(-c2ccc([C@@H]3C[N@@H+](Cc4cccnc4N(C)C)CCO3)nc2)c1 ZINC000019693510 569346400 /nfs/dbraw/zinc/34/64/00/569346400.db2.gz ADKZZBCOUKIVEW-QHCPKHFHSA-N 1 2 404.514 3.792 40 0 HHABLO COCc1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)ccc1OC(C)C ZINC000019693487 569346421 /nfs/dbraw/zinc/34/64/21/569346421.db2.gz DEBXKXCJHXWPIM-DEOSSOPVSA-N 1 2 422.529 3.979 40 0 HHABLO COCc1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)ccc1OC(C)C ZINC000019693487 569346422 /nfs/dbraw/zinc/34/64/22/569346422.db2.gz DEBXKXCJHXWPIM-DEOSSOPVSA-N 1 2 422.529 3.979 40 0 HHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(C)ccc1C ZINC000261362305 569413426 /nfs/dbraw/zinc/41/34/26/569413426.db2.gz CSSMWKSZTHNFLF-OAQYLSRUSA-O 1 2 407.519 3.779 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(F)c1 ZINC000261364134 569413493 /nfs/dbraw/zinc/41/34/93/569413493.db2.gz JMCWYVDJOQWVTM-HXUWFJFHSA-O 1 2 411.482 3.691 40 0 HHABLO C[NH+](C)CCNc1nc(NNc2ccc(Cl)cc2Cl)cc(-c2cccnc2)n1 ZINC000328981810 571304561 /nfs/dbraw/zinc/30/45/61/571304561.db2.gz GWRBWMVRSYFWNN-UHFFFAOYSA-N 1 2 418.332 4.258 40 0 HHABLO OCCCNc1nc(Nc2ccc(O)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329018964 571308377 /nfs/dbraw/zinc/30/83/77/571308377.db2.gz NUHNIWTYRKCCOW-UHFFFAOYSA-N 1 2 420.391 4.286 40 0 HHABLO CN(C)c1ccc(C(=[NH+]/C=C2/C=C([N+](=O)[O-])C=CC2=O)c2ccc(N(C)C)cc2)cc1 ZINC000033777655 571316202 /nfs/dbraw/zinc/31/62/02/571316202.db2.gz XPZDIERICZQHAZ-MNDPQUGUSA-N 1 2 416.481 3.839 40 0 HHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529829 291250695 /nfs/dbraw/zinc/25/06/95/291250695.db2.gz KVWJPVLLLQJWRN-OALUTQOASA-N 1 2 405.502 3.604 40 0 biogenic,in-vitro HHABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529829 291250696 /nfs/dbraw/zinc/25/06/96/291250696.db2.gz KVWJPVLLLQJWRN-OALUTQOASA-N 1 2 405.502 3.604 40 0 biogenic,in-vitro HHABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)n2)c1 ZINC000035425061 291251473 /nfs/dbraw/zinc/25/14/73/291251473.db2.gz VBTPZZRGHNNTOC-IBGZPJMESA-N 1 2 416.428 3.772 40 0 biogenic,in-vitro HHABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)n2)c1 ZINC000035425061 291251475 /nfs/dbraw/zinc/25/14/75/291251475.db2.gz VBTPZZRGHNNTOC-IBGZPJMESA-N 1 2 416.428 3.772 40 0 biogenic,in-vitro HHABLO Cc1cccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c1 ZINC000032508763 524457249 /nfs/dbraw/zinc/45/72/49/524457249.db2.gz OHHXMJJMQJSFMW-RTBURBONSA-N 1 2 420.987 3.919 40 0 HHABLO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCOCC3)cc1)CC(C)(C)O2 ZINC000044855564 525587675 /nfs/dbraw/zinc/58/76/75/525587675.db2.gz YPRYGPBMGUPWSW-OAQYLSRUSA-N 1 2 410.514 3.560 40 0 HHABLO O=S1(=O)C[C@@H]2[NH+]=C(SCc3ccccc3F)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508756 527314592 /nfs/dbraw/zinc/31/45/92/527314592.db2.gz WCJUPGQZVWFSSL-ZWKOTPCHSA-N 1 2 424.950 3.750 40 0 HHABLO COc1ccc(C[N@@H+](Cc2[nH]nnc2-c2ccccc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012116781 558328884 /nfs/dbraw/zinc/32/88/84/558328884.db2.gz AGLYFQSBRMZGIB-HXUWFJFHSA-N 1 2 408.502 3.670 40 0 HHABLO COc1ccc(C[N@H+](Cc2[nH]nnc2-c2ccccc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012116781 558328887 /nfs/dbraw/zinc/32/88/87/558328887.db2.gz AGLYFQSBRMZGIB-HXUWFJFHSA-N 1 2 408.502 3.670 40 0 HHABLO Cc1cc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc(C)c1Br ZINC000020110314 558335492 /nfs/dbraw/zinc/33/54/92/558335492.db2.gz WLQCKNJXEOGBBY-UHFFFAOYSA-N 1 2 414.303 3.947 40 0 HHABLO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](n2c(=O)c3c(C)c(C)sc3nc2C(C)C)C1 ZINC000012184105 558344008 /nfs/dbraw/zinc/34/40/08/558344008.db2.gz JGKRQOGUHYISJT-QGZVFWFLSA-N 1 2 418.607 3.704 40 0 HHABLO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](n2c(=O)c3c(C)c(C)sc3nc2C(C)C)C1 ZINC000012184105 558344010 /nfs/dbraw/zinc/34/40/10/558344010.db2.gz JGKRQOGUHYISJT-QGZVFWFLSA-N 1 2 418.607 3.704 40 0 HHABLO c1ccc2c(c1)nc1n2[C@H](c2cccnc2)NC2=[NH+]CN(CCC3=CCCCC3)CN12 ZINC000020638662 558396910 /nfs/dbraw/zinc/39/69/10/558396910.db2.gz YAHWWVWHILILQF-JOCHJYFZSA-N 1 2 413.529 3.865 40 0 HHABLO COC[C@@H](C)Nc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000019456672 558892055 /nfs/dbraw/zinc/89/20/55/558892055.db2.gz CMVPVEASARNEMR-QGZVFWFLSA-N 1 2 419.529 3.552 40 0 HHABLO COC[C@@H](C)Nc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000019456672 558892059 /nfs/dbraw/zinc/89/20/59/558892059.db2.gz CMVPVEASARNEMR-QGZVFWFLSA-N 1 2 419.529 3.552 40 0 HHABLO CCS(=O)(=O)N1CCC[C@H](c2cc(Oc3ccc(N(C)C)cc3)cc(C)[nH+]2)C1 ZINC000019520298 558901225 /nfs/dbraw/zinc/90/12/25/558901225.db2.gz PFEHNIIJDZVHEA-KRWDZBQOSA-N 1 2 403.548 3.777 40 0 HHABLO COc1ccc2nc(C[N@@H+]3CCc4c(nc(N5CCC(C)CC5)[nH]c4=O)C3)ccc2c1 ZINC000072335648 558937010 /nfs/dbraw/zinc/93/70/10/558937010.db2.gz RZSUVGZUFLAXJR-UHFFFAOYSA-N 1 2 419.529 3.534 40 0 HHABLO COc1ccc2nc(C[N@H+]3CCc4c(nc(N5CCC(C)CC5)[nH]c4=O)C3)ccc2c1 ZINC000072335648 558937011 /nfs/dbraw/zinc/93/70/11/558937011.db2.gz RZSUVGZUFLAXJR-UHFFFAOYSA-N 1 2 419.529 3.534 40 0 HHABLO CCC(C)(C)Nc1c(-c2ccc(OC)c(C[NH+]3CCOCC3)c2)nc2cnccn21 ZINC000072341971 558940223 /nfs/dbraw/zinc/94/02/23/558940223.db2.gz PLSVUDGQIPEEPH-UHFFFAOYSA-N 1 2 409.534 3.838 40 0 HHABLO COCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc1 ZINC000019593706 558944985 /nfs/dbraw/zinc/94/49/85/558944985.db2.gz CEPLAUMAMLMNBR-OAQYLSRUSA-N 1 2 406.486 3.607 40 0 HHABLO COCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc1 ZINC000019593706 558944989 /nfs/dbraw/zinc/94/49/89/558944989.db2.gz CEPLAUMAMLMNBR-OAQYLSRUSA-N 1 2 406.486 3.607 40 0 HHABLO COc1ccc(-c2cccc(C[C@@H]3C(=O)N(C)CC[N@H+]3Cc3ccncc3)c2)cc1 ZINC000072351437 558947842 /nfs/dbraw/zinc/94/78/42/558947842.db2.gz GOYJXJLYPCCYTF-XMMPIXPASA-N 1 2 401.510 3.643 40 0 HHABLO COc1ccc(-c2cccc(C[C@@H]3C(=O)N(C)CC[N@@H+]3Cc3ccncc3)c2)cc1 ZINC000072351437 558947843 /nfs/dbraw/zinc/94/78/43/558947843.db2.gz GOYJXJLYPCCYTF-XMMPIXPASA-N 1 2 401.510 3.643 40 0 HHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000072353706 558950639 /nfs/dbraw/zinc/95/06/39/558950639.db2.gz KTGNRSGHFGOXAO-SFHVURJKSA-N 1 2 420.488 3.958 40 0 HHABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072355367 558952632 /nfs/dbraw/zinc/95/26/32/558952632.db2.gz JZFPDRKCOWFAEP-GOSISDBHSA-N 1 2 407.493 3.874 40 0 HHABLO Cc1cccnc1Nc1cccc([C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072375966 558965018 /nfs/dbraw/zinc/96/50/18/558965018.db2.gz MSJREZATNLTQLP-INIZCTEOSA-N 1 2 408.531 3.803 40 0 HHABLO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)n1 ZINC000072375966 558965020 /nfs/dbraw/zinc/96/50/20/558965020.db2.gz MSJREZATNLTQLP-INIZCTEOSA-N 1 2 408.531 3.803 40 0 HHABLO COc1ccc(CC(=O)N2CCC[C@@H]2c2cncc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378380 558967510 /nfs/dbraw/zinc/96/75/10/558967510.db2.gz YCIRFBMUEHZKFS-HXUWFJFHSA-N 1 2 405.502 3.701 40 0 HHABLO COc1ccc(OC)c2nc3c(cc12)C[N@H+](CCc1cccc(OC)c1OC)CCO3 ZINC000072392274 558972230 /nfs/dbraw/zinc/97/22/30/558972230.db2.gz DCVPRZXADAQHEC-UHFFFAOYSA-N 1 2 424.497 3.706 40 0 HHABLO COc1ccc(OC)c2nc3c(cc12)C[N@@H+](CCc1cccc(OC)c1OC)CCO3 ZINC000072392274 558972233 /nfs/dbraw/zinc/97/22/33/558972233.db2.gz DCVPRZXADAQHEC-UHFFFAOYSA-N 1 2 424.497 3.706 40 0 HHABLO C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104712 559027199 /nfs/dbraw/zinc/02/71/99/559027199.db2.gz RUXVBFQRVLCXGR-GAJHUEQPSA-N 1 2 400.469 3.777 40 0 HHABLO C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104712 559027201 /nfs/dbraw/zinc/02/72/01/559027201.db2.gz RUXVBFQRVLCXGR-GAJHUEQPSA-N 1 2 400.469 3.777 40 0 HHABLO O=C(C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053094 559092882 /nfs/dbraw/zinc/09/28/82/559092882.db2.gz MSAADBTYQPSESO-SFHVURJKSA-N 1 2 411.571 3.960 40 0 HHABLO Cc1csc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)n2)n1 ZINC000585290306 559122804 /nfs/dbraw/zinc/12/28/04/559122804.db2.gz AGFWJKJQWSTFPV-FYCOFBDGSA-N 1 2 409.519 3.784 40 0 HHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc2c1 ZINC000000782101 559279041 /nfs/dbraw/zinc/27/90/41/559279041.db2.gz XJEDHVMKSWYTSK-HXUWFJFHSA-N 1 2 408.550 3.653 40 0 HHABLO COc1ccccc1-c1cccc(CC2(C(=O)NCc3[nH]cc[nH+]3)CCOCC2)c1 ZINC000257325991 559283224 /nfs/dbraw/zinc/28/32/24/559283224.db2.gz WVHYONXQWVKOPI-UHFFFAOYSA-N 1 2 405.498 3.741 40 0 HHABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289599 560032320 /nfs/dbraw/zinc/03/23/20/560032320.db2.gz WFADAJGRKZLDFK-IRXDYDNUSA-N 1 2 411.477 3.866 40 0 biogenic,in-vitro HHABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514289599 560032322 /nfs/dbraw/zinc/03/23/22/560032322.db2.gz WFADAJGRKZLDFK-IRXDYDNUSA-N 1 2 411.477 3.866 40 0 biogenic,in-vitro HHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)[NH+]3CCCCC3)cc2c1 ZINC000000908604 560545792 /nfs/dbraw/zinc/54/57/92/560545792.db2.gz AGEWYVZANJQMIJ-FQEVSTJZSA-N 1 2 408.550 3.797 40 0 HHABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000000926469 560556840 /nfs/dbraw/zinc/55/68/40/560556840.db2.gz BVXDRZDSXBRXFC-UHFFFAOYSA-N 1 2 408.550 3.831 40 0 HHABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCC3)c(=O)[nH]c2c1C ZINC000000926469 560556841 /nfs/dbraw/zinc/55/68/41/560556841.db2.gz BVXDRZDSXBRXFC-UHFFFAOYSA-N 1 2 408.550 3.831 40 0 HHABLO COc1ccc(OC)c([C@@H](c2nnnn2CCc2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000004847711 560609489 /nfs/dbraw/zinc/60/94/89/560609489.db2.gz NUFOUTAGCSXCSM-QHCPKHFHSA-N 1 2 421.545 3.754 40 0 HHABLO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000004966683 560621710 /nfs/dbraw/zinc/62/17/10/560621710.db2.gz OTJNOELKNAOFFK-UHFFFAOYSA-N 1 2 412.461 3.536 40 0 HHABLO CCCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670436 568494637 /nfs/dbraw/zinc/49/46/37/568494637.db2.gz AQZFVKKRVWNTIL-NHCUHLMSSA-N 1 2 412.582 3.522 40 0 HHABLO CCCC[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671215 568495119 /nfs/dbraw/zinc/49/51/19/568495119.db2.gz SJCPZAAJGWNIPB-NRFANRHFSA-N 1 2 408.550 3.985 40 0 HHABLO CC[C@@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000219865739 568499508 /nfs/dbraw/zinc/49/95/08/568499508.db2.gz JPDKCDBBSWKUIM-JOCHJYFZSA-N 1 2 414.571 3.882 40 0 HHABLO CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)ccc21 ZINC000224977705 568607133 /nfs/dbraw/zinc/60/71/33/568607133.db2.gz AWJMXHGWQKGBSS-UHFFFAOYSA-N 1 2 413.543 3.777 40 0 HHABLO CCOc1ccc(Nc2cc(C)nc(NC(=S)NCCCn3cc[nH+]c3)n2)cc1 ZINC000225201021 568622469 /nfs/dbraw/zinc/62/24/69/568622469.db2.gz XXIKXBXHEMVYJH-UHFFFAOYSA-N 1 2 411.535 3.501 40 0 HHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(Nc4ncccn4)n3)C1)CCC2 ZINC000257212090 568779599 /nfs/dbraw/zinc/77/95/99/568779599.db2.gz CBXLWPRKKXWWSP-QFIPXVFZSA-N 1 2 417.513 3.686 40 0 HHABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(Nc4ncccn4)n3)C1)CCC2 ZINC000257212090 568779601 /nfs/dbraw/zinc/77/96/01/568779601.db2.gz CBXLWPRKKXWWSP-QFIPXVFZSA-N 1 2 417.513 3.686 40 0 HHABLO Cc1cc(Nc2cccc([C@@H]3C[N@H+](Cc4ccc5ncccc5c4)CCO3)n2)nn1C ZINC000257223078 568783003 /nfs/dbraw/zinc/78/30/03/568783003.db2.gz DVUKOAHJSGEUAS-QFIPXVFZSA-N 1 2 414.513 3.989 40 0 HHABLO Cc1cc(Nc2cccc([C@@H]3C[N@@H+](Cc4ccc5ncccc5c4)CCO3)n2)nn1C ZINC000257223078 568783004 /nfs/dbraw/zinc/78/30/04/568783004.db2.gz DVUKOAHJSGEUAS-QFIPXVFZSA-N 1 2 414.513 3.989 40 0 HHABLO Cc1ncsc1C(=O)N1CCO[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000257250429 568790578 /nfs/dbraw/zinc/79/05/78/568790578.db2.gz JMMMQUKTMCMJSR-SFHVURJKSA-N 1 2 424.530 3.519 40 0 HHABLO CN(C)c1cc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4)CCOCC3)C2)cc[nH+]1 ZINC000257269729 568795609 /nfs/dbraw/zinc/79/56/09/568795609.db2.gz MRDRHZGBKYGQJU-JOCHJYFZSA-N 1 2 407.558 3.893 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@@]3(CCCO3)[C@@H](OC)C1)oc1ccccc12 ZINC000257272746 568796388 /nfs/dbraw/zinc/79/63/88/568796388.db2.gz NDRGQHQJIZLHOX-UPVQGACJSA-N 1 2 424.497 3.803 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@@]3(CCCO3)[C@@H](OC)C1)oc1ccccc12 ZINC000257272746 568796389 /nfs/dbraw/zinc/79/63/89/568796389.db2.gz NDRGQHQJIZLHOX-UPVQGACJSA-N 1 2 424.497 3.803 40 0 HHABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1OC ZINC000257273731 568796796 /nfs/dbraw/zinc/79/67/96/568796796.db2.gz NHXZODNODXHZAS-RUZDIDTESA-N 1 2 401.510 3.995 40 0 HHABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1OC ZINC000257273731 568796798 /nfs/dbraw/zinc/79/67/98/568796798.db2.gz NHXZODNODXHZAS-RUZDIDTESA-N 1 2 401.510 3.995 40 0 HHABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4nncs4)n3)C2)c2ccccc21 ZINC000257276060 568797415 /nfs/dbraw/zinc/79/74/15/568797415.db2.gz NSEYMWKRQDRJCN-LJQANCHMSA-N 1 2 406.515 3.742 40 0 HHABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(Nc4nncs4)n3)C2)c2ccccc21 ZINC000257276060 568797417 /nfs/dbraw/zinc/79/74/17/568797417.db2.gz NSEYMWKRQDRJCN-LJQANCHMSA-N 1 2 406.515 3.742 40 0 HHABLO COc1c(C)cccc1CNc1cc(-c2c[nH]nc2[C@H]2CCN(C(C)=O)C2)cc[nH+]1 ZINC000257299168 568804295 /nfs/dbraw/zinc/80/42/95/568804295.db2.gz ROZPQWSKHYMGBU-IBGZPJMESA-N 1 2 405.502 3.737 40 0 HHABLO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1cccc(F)c1 ZINC000257305510 568806109 /nfs/dbraw/zinc/80/61/09/568806109.db2.gz SQIKTAYUTXOIHA-XMMPIXPASA-N 1 2 405.473 3.776 40 0 HHABLO NC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1cccc(F)c1 ZINC000257305510 568806112 /nfs/dbraw/zinc/80/61/12/568806112.db2.gz SQIKTAYUTXOIHA-XMMPIXPASA-N 1 2 405.473 3.776 40 0 HHABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cn1 ZINC000257320975 568810728 /nfs/dbraw/zinc/81/07/28/568810728.db2.gz VZOVKMSVFYKMII-DEOSSOPVSA-N 1 2 423.561 3.945 40 0 HHABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(C(C)C)cc4)n[nH]3)C2)cn1 ZINC000257320975 568810731 /nfs/dbraw/zinc/81/07/31/568810731.db2.gz VZOVKMSVFYKMII-DEOSSOPVSA-N 1 2 423.561 3.945 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Cl)ccc1N(C(C)=O)[C@H]2c1ccccc1F ZINC000261363338 568819606 /nfs/dbraw/zinc/81/96/06/568819606.db2.gz GWMHLNZXKBKWPN-GOSISDBHSA-O 1 2 417.873 3.565 40 0 HHABLO O=C(CSC(=S)N1CC[NH+](Cc2ccccc2)CC1)c1c[nH]c2ncccc12 ZINC000261526679 568820976 /nfs/dbraw/zinc/82/09/76/568820976.db2.gz GSBTXAHQFKCBAU-UHFFFAOYSA-N 1 2 410.568 3.582 40 0 HHABLO c1c([C@H]2CN(Cc3ccccn3)CC[N@H+]2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306125161 568887937 /nfs/dbraw/zinc/88/79/37/568887937.db2.gz CIDXZGVWBQOGDK-HSZRJFAPSA-N 1 2 416.573 3.598 40 0 HHABLO c1c([C@H]2CN(Cc3ccccn3)CC[N@@H+]2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306125161 568887939 /nfs/dbraw/zinc/88/79/39/568887939.db2.gz CIDXZGVWBQOGDK-HSZRJFAPSA-N 1 2 416.573 3.598 40 0 HHABLO COc1ccc(C(=O)N2C[C@@H]3CCn4c(-c5cccc(OC)c5)c[nH+]c4[C@@H]3C2)cc1 ZINC000306130608 568892873 /nfs/dbraw/zinc/89/28/73/568892873.db2.gz JKVXIARMYWHLOX-GHTZIAJQSA-N 1 2 403.482 3.827 40 0 HHABLO c1csc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)n1 ZINC000306139782 568901539 /nfs/dbraw/zinc/90/15/39/568901539.db2.gz UAIRBWKMONWBTQ-HXUWFJFHSA-N 1 2 422.602 3.660 40 0 HHABLO c1csc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)n1 ZINC000306139782 568901542 /nfs/dbraw/zinc/90/15/42/568901542.db2.gz UAIRBWKMONWBTQ-HXUWFJFHSA-N 1 2 422.602 3.660 40 0 HHABLO Cc1c(Br)cccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000328961578 568969765 /nfs/dbraw/zinc/96/97/65/568969765.db2.gz BEAWBOJRDANBPK-CYBMUJFWSA-N 1 2 413.319 3.595 40 0 HHABLO Cc1c(Br)cccc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000328968059 568970382 /nfs/dbraw/zinc/97/03/82/568970382.db2.gz CXFHIPRWNPRUFA-UHFFFAOYSA-N 1 2 413.319 3.596 40 0 HHABLO CCNc1nc(Nc2ccccc2I)cc(-c2ccccc2)[nH+]1 ZINC000328982776 568971125 /nfs/dbraw/zinc/97/11/25/568971125.db2.gz HBWOCLSWDBQHJQ-UHFFFAOYSA-N 1 2 416.266 3.767 40 0 HHABLO CC(C)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328991854 568971597 /nfs/dbraw/zinc/97/15/97/568971597.db2.gz ISNGZGJMQBISRH-UHFFFAOYSA-N 1 2 403.408 3.713 40 0 HHABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329029282 568973537 /nfs/dbraw/zinc/97/35/37/568973537.db2.gz PZAFHWFEDTUKDH-AWEZNQCLSA-N 1 2 402.420 3.851 40 0 HHABLO CC[C@@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000329049056 568974488 /nfs/dbraw/zinc/97/44/88/568974488.db2.gz UNFYRSDSCRTRHV-CQSZACIVSA-N 1 2 412.335 3.967 40 0 HHABLO Ic1cccc(-c2nc3cc(C[NH+]4CCOCC4)ccc3o2)c1 ZINC000216839704 569025585 /nfs/dbraw/zinc/02/55/85/569025585.db2.gz BPGVGADFPYDYNS-UHFFFAOYSA-N 1 2 420.250 3.932 40 0 HHABLO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000248124845 569316444 /nfs/dbraw/zinc/31/64/44/569316444.db2.gz LHPFWQPHMBVPCQ-VXKWHMMOSA-N 1 2 407.493 3.546 40 0 HHABLO CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000248124845 569316445 /nfs/dbraw/zinc/31/64/45/569316445.db2.gz LHPFWQPHMBVPCQ-VXKWHMMOSA-N 1 2 407.493 3.546 40 0 HHABLO CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000008041055 569339200 /nfs/dbraw/zinc/33/92/00/569339200.db2.gz XSCKMAVMHDPQHJ-IBGZPJMESA-N 1 2 416.905 3.571 40 0 HHABLO COc1ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000008433922 569340983 /nfs/dbraw/zinc/34/09/83/569340983.db2.gz ZMYBBPYEXJGVFV-UHFFFAOYSA-N 1 2 418.493 3.879 40 0 HHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccco1 ZINC000261363326 569413633 /nfs/dbraw/zinc/41/36/33/569413633.db2.gz GUYLVQRWGSHJKG-FQEVSTJZSA-O 1 2 411.507 3.925 40 0 HHABLO CN(C)c1ccc(C(=[NH+]/C=C2\C=C([N+](=O)[O-])C=CC2=O)c2ccc(N(C)C)cc2)cc1 ZINC000033777656 571316222 /nfs/dbraw/zinc/31/62/22/571316222.db2.gz XPZDIERICZQHAZ-KNTRCKAVSA-N 1 2 416.481 3.839 40 0 HHABLO C[N@@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000020464164 575366519 /nfs/dbraw/zinc/36/65/19/575366519.db2.gz SLSQYGQKGSHONX-ROUUACIJSA-N 1 2 411.893 3.635 40 0 biogenic,in-vitro HHABLO C[N@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000020464164 575366523 /nfs/dbraw/zinc/36/65/23/575366523.db2.gz SLSQYGQKGSHONX-ROUUACIJSA-N 1 2 411.893 3.635 40 0 biogenic,in-vitro HHABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1Cc1cccs1 ZINC000015707051 291250960 /nfs/dbraw/zinc/25/09/60/291250960.db2.gz GKPSKLOZJAHGSQ-SFHVURJKSA-N 1 2 401.919 3.746 40 0 biogenic,in-vitro HHABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000035424870 291251307 /nfs/dbraw/zinc/25/13/07/291251307.db2.gz GMAGFWOMKOHHMY-SFHVURJKSA-N 1 2 415.444 3.805 40 0 biogenic,in-vitro HHABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(F)c2)n1 ZINC000035424870 291251310 /nfs/dbraw/zinc/25/13/10/291251310.db2.gz GMAGFWOMKOHHMY-SFHVURJKSA-N 1 2 415.444 3.805 40 0 biogenic,in-vitro HHABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(F)c(F)c3)n2)ccn1 ZINC000035424771 291251539 /nfs/dbraw/zinc/25/15/39/291251539.db2.gz KMDWQXQYCAXNKU-SFHVURJKSA-N 1 2 416.428 3.772 40 0 biogenic,in-vitro HHABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(F)c(F)c3)n2)ccn1 ZINC000035424771 291251542 /nfs/dbraw/zinc/25/15/42/291251542.db2.gz KMDWQXQYCAXNKU-SFHVURJKSA-N 1 2 416.428 3.772 40 0 biogenic,in-vitro HHABLO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044855706 525553536 /nfs/dbraw/zinc/55/35/36/525553536.db2.gz ZPSKZILDLKUBOT-OAQYLSRUSA-N 1 2 410.514 3.560 40 0 HHABLO COc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCc1ccccc1Cl ZINC000408571541 557468893 /nfs/dbraw/zinc/46/88/93/557468893.db2.gz BPTPLXRCUKYEMD-UHFFFAOYSA-N 1 2 420.962 3.525 40 0 HHABLO O=C(CN1C(=O)c2cccc3cccc1c23)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408603847 557524637 /nfs/dbraw/zinc/52/46/37/557524637.db2.gz GGQLKWNFMMUHAZ-RMKNXTFCSA-N 1 2 411.505 3.658 40 0 HHABLO O=c1c(C[NH+]2CCOCC2)c(-c2ccccc2)[nH]n1-c1ccc(Cl)c(Cl)c1 ZINC000006529295 557706477 /nfs/dbraw/zinc/70/64/77/557706477.db2.gz FRHVKUHVTDGHPK-INIZCTEOSA-N 1 2 404.297 3.693 40 0 HHABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000408702318 557726450 /nfs/dbraw/zinc/72/64/50/557726450.db2.gz BESPYEXDDKKKQC-NRFANRHFSA-N 1 2 403.486 3.991 40 0 HHABLO Cc1nc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741658 558262278 /nfs/dbraw/zinc/26/22/78/558262278.db2.gz IUDOANOMIUCYEM-LJQANCHMSA-N 1 2 422.577 3.747 40 0 HHABLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741658 558262279 /nfs/dbraw/zinc/26/22/79/558262279.db2.gz IUDOANOMIUCYEM-LJQANCHMSA-N 1 2 422.577 3.747 40 0 HHABLO Cc1nc([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741658 558262281 /nfs/dbraw/zinc/26/22/81/558262281.db2.gz IUDOANOMIUCYEM-LJQANCHMSA-N 1 2 422.577 3.747 40 0 HHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)s1 ZINC000019762251 558277225 /nfs/dbraw/zinc/27/72/25/558277225.db2.gz BYZOVLFJSRNIQV-NRFANRHFSA-N 1 2 410.543 3.711 40 0 HHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)s1 ZINC000019762251 558277227 /nfs/dbraw/zinc/27/72/27/558277227.db2.gz BYZOVLFJSRNIQV-NRFANRHFSA-N 1 2 410.543 3.711 40 0 HHABLO CCn1cc(C(=O)N2CCn3c([nH+]c(-c4ccc(OC)cc4)c3NC(C)(C)C)C2)cn1 ZINC000012116237 558328236 /nfs/dbraw/zinc/32/82/36/558328236.db2.gz XBESTIZJWGECAC-UHFFFAOYSA-N 1 2 422.533 3.642 40 0 HHABLO COc1ccc(S(=O)(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)cc1 ZINC000019240481 558858945 /nfs/dbraw/zinc/85/89/45/558858945.db2.gz GSLRUZYOBWTGDE-HNNXBMFYSA-N 1 2 405.545 3.590 40 0 HHABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000019286709 558860563 /nfs/dbraw/zinc/86/05/63/558860563.db2.gz CXXDFRZIAIJGJX-ICSRJNTNSA-N 1 2 410.562 3.622 40 0 HHABLO Cn1ccnc1[C@@H](NC(=O)CCn1cc[nH+]c1-c1ccccc1)c1ccc(F)cc1 ZINC000019291197 558863597 /nfs/dbraw/zinc/86/35/97/558863597.db2.gz XIMCRJVLBBIIII-NRFANRHFSA-N 1 2 403.461 3.719 40 0 HHABLO Cc1ccc(C)c2nc3c(cc12)C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CCO3 ZINC000057718881 558890049 /nfs/dbraw/zinc/89/00/49/558890049.db2.gz WSGFXPBMDAVJGM-UHFFFAOYSA-N 1 2 415.493 3.732 40 0 HHABLO Cc1ccc(C)c2nc3c(cc12)C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CCO3 ZINC000057718881 558890053 /nfs/dbraw/zinc/89/00/53/558890053.db2.gz WSGFXPBMDAVJGM-UHFFFAOYSA-N 1 2 415.493 3.732 40 0 HHABLO CCCSc1ncc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)cn1 ZINC000057822959 558890948 /nfs/dbraw/zinc/89/09/48/558890948.db2.gz LIHPPEGMRNXXKX-UHFFFAOYSA-N 1 2 402.539 3.745 40 0 HHABLO COC[C@H](C)Nc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019456670 558892081 /nfs/dbraw/zinc/89/20/81/558892081.db2.gz GTZKNPZNHKKRIV-INIZCTEOSA-N 1 2 407.493 3.683 40 0 HHABLO COC[C@H](C)Nc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019456670 558892084 /nfs/dbraw/zinc/89/20/84/558892084.db2.gz GTZKNPZNHKKRIV-INIZCTEOSA-N 1 2 407.493 3.683 40 0 HHABLO COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019565083 558925318 /nfs/dbraw/zinc/92/53/18/558925318.db2.gz FKYXMOBZXJQLRN-IBGZPJMESA-N 1 2 418.545 3.855 40 0 HHABLO COc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccnc(N4CCCC4)n3)C2)c1 ZINC000019565083 558925320 /nfs/dbraw/zinc/92/53/20/558925320.db2.gz FKYXMOBZXJQLRN-IBGZPJMESA-N 1 2 418.545 3.855 40 0 HHABLO Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@@H]2CCCN(C(=O)Cn3cccn3)C2)[nH+]1 ZINC000019570172 558928918 /nfs/dbraw/zinc/92/89/18/558928918.db2.gz GFOYCVXXROTMNE-LJQANCHMSA-N 1 2 419.529 3.851 40 0 HHABLO COCCC(=O)N1CCC[C@H](c2cc(Oc3ccc(NC(C)=O)cc3)cc(C)[nH+]2)C1 ZINC000019570137 558929005 /nfs/dbraw/zinc/92/90/05/558929005.db2.gz TTYACBQBDHFFOK-SFHVURJKSA-N 1 2 411.502 3.883 40 0 HHABLO COCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc1 ZINC000019593708 558944804 /nfs/dbraw/zinc/94/48/04/558944804.db2.gz CEPLAUMAMLMNBR-NRFANRHFSA-N 1 2 406.486 3.607 40 0 HHABLO COCCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc1 ZINC000019593708 558944805 /nfs/dbraw/zinc/94/48/05/558944805.db2.gz CEPLAUMAMLMNBR-NRFANRHFSA-N 1 2 406.486 3.607 40 0 HHABLO COc1cccc(Cc2cccc([C@H]3CCC[N@H+](CC(=O)Nc4ccccn4)C3)n2)c1 ZINC000072349549 558946306 /nfs/dbraw/zinc/94/63/06/558946306.db2.gz WVQQMQOQRAMNIW-FQEVSTJZSA-N 1 2 416.525 3.894 40 0 HHABLO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccccn4)C3)n2)c1 ZINC000072349549 558946308 /nfs/dbraw/zinc/94/63/08/558946308.db2.gz WVQQMQOQRAMNIW-FQEVSTJZSA-N 1 2 416.525 3.894 40 0 HHABLO CCCN1CC[N@H+](Cc2ccncc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351558 558947953 /nfs/dbraw/zinc/94/79/53/558947953.db2.gz ZUYZWDJTNAKZFM-DEOSSOPVSA-N 1 2 400.526 3.809 40 0 HHABLO CCCN1CC[N@@H+](Cc2ccncc2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351558 558947956 /nfs/dbraw/zinc/94/79/56/558947956.db2.gz ZUYZWDJTNAKZFM-DEOSSOPVSA-N 1 2 400.526 3.809 40 0 HHABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1 ZINC000072355409 558952527 /nfs/dbraw/zinc/95/25/27/558952527.db2.gz IAQSLXXGDSIBJT-UHFFFAOYSA-N 1 2 403.530 3.954 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370237 558956495 /nfs/dbraw/zinc/95/64/95/558956495.db2.gz JKQZVZYWAWAVGX-SFHVURJKSA-N 1 2 418.522 3.778 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370237 558956496 /nfs/dbraw/zinc/95/64/96/558956496.db2.gz JKQZVZYWAWAVGX-SFHVURJKSA-N 1 2 418.522 3.778 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370235 558956531 /nfs/dbraw/zinc/95/65/31/558956531.db2.gz YLJKGFSJUBZOAU-KRWDZBQOSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000072370235 558956533 /nfs/dbraw/zinc/95/65/33/558956533.db2.gz YLJKGFSJUBZOAU-KRWDZBQOSA-N 1 2 404.495 3.517 40 0 HHABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)cc1 ZINC000072376249 558965329 /nfs/dbraw/zinc/96/53/29/558965329.db2.gz WUHZAFFYXRFNHR-FQEVSTJZSA-N 1 2 418.501 3.708 40 0 HHABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)cc1 ZINC000072376249 558965332 /nfs/dbraw/zinc/96/53/32/558965332.db2.gz WUHZAFFYXRFNHR-FQEVSTJZSA-N 1 2 418.501 3.708 40 0 HHABLO COc1ncccc1NC(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037499 559091193 /nfs/dbraw/zinc/09/11/93/559091193.db2.gz UHKUZWMOPRDRNP-NRFANRHFSA-N 1 2 405.502 3.606 40 0 HHABLO Cc1cnc(Nc2cc([C@H]3CCCCN3C(=O)C=Cc3c[nH]c[nH+]3)nc(C)n2)s1 ZINC000585291365 559123791 /nfs/dbraw/zinc/12/37/91/559123791.db2.gz OGKIFOZGAHCHRM-DKRLNXSXSA-N 1 2 409.519 3.784 40 0 HHABLO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CC(=O)N(c3ccc(C(C)C)cc3)C1=O)CC2 ZINC000102332292 559149996 /nfs/dbraw/zinc/14/99/96/559149996.db2.gz YFMBKCZVAYJCGB-HXUWFJFHSA-N 1 2 408.498 3.517 40 0 HHABLO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC(=O)N(c3ccc(C(C)C)cc3)C1=O)CC2 ZINC000102332292 559149997 /nfs/dbraw/zinc/14/99/97/559149997.db2.gz YFMBKCZVAYJCGB-HXUWFJFHSA-N 1 2 408.498 3.517 40 0 HHABLO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000118913833 559205196 /nfs/dbraw/zinc/20/51/96/559205196.db2.gz WRCFYFRXAYMSAE-XESDPUNYSA-N 1 2 415.574 3.639 40 0 in-vitro HHABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c2cc1C ZINC000000893782 560543523 /nfs/dbraw/zinc/54/35/23/560543523.db2.gz IIZNOTRQBSRIGS-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO Cc1cccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2C)c1 ZINC000000929948 560557900 /nfs/dbraw/zinc/55/79/00/560557900.db2.gz FOCJTPLOZRDGFS-UHFFFAOYSA-N 1 2 406.515 3.516 40 0 HHABLO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000001370929 560581086 /nfs/dbraw/zinc/58/10/86/560581086.db2.gz DLHNNYLMZQSCKP-UHFFFAOYSA-N 1 2 403.408 3.946 40 0 HHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(C)CC3)cc12 ZINC000004212375 560603751 /nfs/dbraw/zinc/60/37/51/560603751.db2.gz CYEBWJOMKBEVOL-HXUWFJFHSA-N 1 2 408.550 3.708 40 0 HHABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000408961676 560658333 /nfs/dbraw/zinc/65/83/33/560658333.db2.gz UNSWJXNMMZPNIP-STZFKDTASA-N 1 2 404.445 3.775 40 0 HHABLO COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[N@H+](C)C2 ZINC000004223468 560735329 /nfs/dbraw/zinc/73/53/29/560735329.db2.gz XVVOPLYWEDPJIX-UHFFFAOYSA-N 1 2 409.305 3.537 40 0 HHABLO COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[N@@H+](C)C2 ZINC000004223468 560735331 /nfs/dbraw/zinc/73/53/31/560735331.db2.gz XVVOPLYWEDPJIX-UHFFFAOYSA-N 1 2 409.305 3.537 40 0 HHABLO c1ccc(CCn2nnnc2[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020142195 560881604 /nfs/dbraw/zinc/88/16/04/560881604.db2.gz CXTVMTJNGWUDIS-VWLOTQADSA-N 1 2 424.552 3.827 40 0 HHABLO C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000057688543 568494358 /nfs/dbraw/zinc/49/43/58/568494358.db2.gz WYZXEPZTJKORNT-IRXDYDNUSA-N 1 2 416.566 3.861 40 0 HHABLO CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670415 568494629 /nfs/dbraw/zinc/49/46/29/568494629.db2.gz LDBGXYYYHGCKLH-RBBKRZOGSA-N 1 2 412.582 3.522 40 0 HHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670920 568494998 /nfs/dbraw/zinc/49/49/98/568494998.db2.gz AABGJBUPGAZYOV-JOCHJYFZSA-N 1 2 420.561 3.620 40 0 HHABLO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225619375 568657686 /nfs/dbraw/zinc/65/76/86/568657686.db2.gz CXAWYRQOSTUTPS-VWLOTQADSA-N 1 2 422.569 3.871 40 0 HHABLO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCC[C@@H](C)C1 ZINC000225662896 568661387 /nfs/dbraw/zinc/66/13/87/568661387.db2.gz UBCYTJPAYRFDHR-AUSIDOKSSA-N 1 2 404.551 3.712 40 0 HHABLO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccn1 ZINC000257274258 568796919 /nfs/dbraw/zinc/79/69/19/568796919.db2.gz NKFNOZAVNLBNPB-VWLOTQADSA-N 1 2 416.525 3.635 40 0 HHABLO CN(C)C(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccn1 ZINC000257274258 568796921 /nfs/dbraw/zinc/79/69/21/568796921.db2.gz NKFNOZAVNLBNPB-VWLOTQADSA-N 1 2 416.525 3.635 40 0 HHABLO Cc1nc(Nc2cccc([C@@H]3C[N@H+](Cc4cccnc4N(C)C)CCO3)n2)sc1C ZINC000257274474 568796933 /nfs/dbraw/zinc/79/69/33/568796933.db2.gz NLEHJWLRFGADPG-IBGZPJMESA-N 1 2 424.574 3.933 40 0 HHABLO Cc1nc(Nc2cccc([C@@H]3C[N@@H+](Cc4cccnc4N(C)C)CCO3)n2)sc1C ZINC000257274474 568796936 /nfs/dbraw/zinc/79/69/36/568796936.db2.gz NLEHJWLRFGADPG-IBGZPJMESA-N 1 2 424.574 3.933 40 0 HHABLO COc1ccc(C2(C(=O)N3CCC[C@@H](c4cc[nH+]c(N(C)C)c4)C3)CCOCC2)cc1 ZINC000257278702 568798080 /nfs/dbraw/zinc/79/80/80/568798080.db2.gz ODHIIDYJMGNAIM-HXUWFJFHSA-N 1 2 423.557 3.611 40 0 HHABLO CCN1CCN(Cc2[nH]cc[nH+]2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257285749 568800147 /nfs/dbraw/zinc/80/01/47/568800147.db2.gz PIQCTFDVNLWUJC-HXUWFJFHSA-N 1 2 406.505 3.739 40 0 HHABLO CCN1CC[N@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257285749 568800148 /nfs/dbraw/zinc/80/01/48/568800148.db2.gz PIQCTFDVNLWUJC-HXUWFJFHSA-N 1 2 406.505 3.739 40 0 HHABLO CCN1CC[N@@H+](Cc2ncc[nH]2)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257285749 568800149 /nfs/dbraw/zinc/80/01/49/568800149.db2.gz PIQCTFDVNLWUJC-HXUWFJFHSA-N 1 2 406.505 3.739 40 0 HHABLO C[C@@H](Cc1c[nH]c2ccccc12)Nc1cc(-c2c3c(nn2C)CCCC3)[nH+]c(N)n1 ZINC000257322288 568811015 /nfs/dbraw/zinc/81/10/15/568811015.db2.gz WFIXVNDUWKUTKM-AWEZNQCLSA-N 1 2 401.518 3.863 40 0 HHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccccc1Cl ZINC000261362966 568819265 /nfs/dbraw/zinc/81/92/65/568819265.db2.gz FOFKNZFEWVZVJM-LJQANCHMSA-O 1 2 413.910 3.816 40 0 HHABLO O=C(NCc1ccccc1)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306128034 568890826 /nfs/dbraw/zinc/89/08/26/568890826.db2.gz GOIYOYFFRDDYGK-JOCHJYFZSA-N 1 2 411.509 3.996 40 0 HHABLO O=C(NCc1ccccc1)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306128034 568890828 /nfs/dbraw/zinc/89/08/28/568890828.db2.gz GOIYOYFFRDDYGK-JOCHJYFZSA-N 1 2 411.509 3.996 40 0 HHABLO c1c([C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306128925 568891691 /nfs/dbraw/zinc/89/16/91/568891691.db2.gz HOLBKDAUEKJCAG-QHCPKHFHSA-N 1 2 414.465 3.699 40 0 HHABLO c1c([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCO4)CCO2)nc2cccc(-c3ccncc3)n12 ZINC000306128925 568891692 /nfs/dbraw/zinc/89/16/92/568891692.db2.gz HOLBKDAUEKJCAG-QHCPKHFHSA-N 1 2 414.465 3.699 40 0 HHABLO O=C(NCCc1cccs1)c1cnn2c1C[N@H+](CC1CCCC1)Cc1cccnc1-2 ZINC000306132299 568894631 /nfs/dbraw/zinc/89/46/31/568894631.db2.gz LEJYCNCUHHFKIE-UHFFFAOYSA-N 1 2 421.570 3.807 40 0 HHABLO O=C(NCCc1cccs1)c1cnn2c1C[N@@H+](CC1CCCC1)Cc1cccnc1-2 ZINC000306132299 568894633 /nfs/dbraw/zinc/89/46/33/568894633.db2.gz LEJYCNCUHHFKIE-UHFFFAOYSA-N 1 2 421.570 3.807 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306140853 568902570 /nfs/dbraw/zinc/90/25/70/568902570.db2.gz VFJKGQHOKUNLGU-JTHBVZDNSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306140853 568902573 /nfs/dbraw/zinc/90/25/73/568902573.db2.gz VFJKGQHOKUNLGU-JTHBVZDNSA-N 1 2 406.507 3.513 40 0 HHABLO CC[C@@H](C)Nc1nc(Nc2ccccc2I)cc(C2CC2)[nH+]1 ZINC000328964570 568969935 /nfs/dbraw/zinc/96/99/35/568969935.db2.gz BVXRJITULBJGAF-LLVKDONJSA-N 1 2 408.287 3.756 40 0 HHABLO OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329034411 568973995 /nfs/dbraw/zinc/97/39/95/568973995.db2.gz QZGOHMJGGLNAEG-UHFFFAOYSA-N 1 2 420.357 3.773 40 0 HHABLO FC(F)(F)Oc1cccc(-c2cc(NCCc3ccccn3)nc(NC3CC3)[nH+]2)c1 ZINC000329040225 568974184 /nfs/dbraw/zinc/97/41/84/568974184.db2.gz SBOOBGUIRIVRFR-UHFFFAOYSA-N 1 2 415.419 3.510 40 0 HHABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1C(F)(F)F ZINC000329060555 568975155 /nfs/dbraw/zinc/97/51/55/568975155.db2.gz WMKQVCQPOSTFDB-UHFFFAOYSA-N 1 2 402.420 3.853 40 0 HHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000229928459 569287179 /nfs/dbraw/zinc/28/71/79/569287179.db2.gz QXLJMIWCZRGXKU-YCFYUYSTSA-N 1 2 420.509 3.547 40 0 HHABLO COc1cccc(-c2cccc(CC3(C(=O)NCCc4c[nH+]c[nH]4)CCOCC3)c2)c1 ZINC000257264488 569397910 /nfs/dbraw/zinc/39/79/10/569397910.db2.gz LUOYWWIUVOGEET-UHFFFAOYSA-N 1 2 419.525 3.784 40 0 HHABLO COc1cccc(-c2cccc(CC3(C(=O)NCCc4c[nH]c[nH+]4)CCOCC3)c2)c1 ZINC000257264488 569397911 /nfs/dbraw/zinc/39/79/11/569397911.db2.gz LUOYWWIUVOGEET-UHFFFAOYSA-N 1 2 419.525 3.784 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1sccc1C ZINC000261362062 569413385 /nfs/dbraw/zinc/41/33/85/569413385.db2.gz BZIJQZIKFMTPKJ-IBGZPJMESA-O 1 2 413.548 3.922 40 0 HHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)c(OC)c1 ZINC000261361857 569413440 /nfs/dbraw/zinc/41/34/40/569413440.db2.gz BHYLZIVJMCJCJW-LJQANCHMSA-O 1 2 411.507 3.716 40 0 HHABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1C(F)(F)F ZINC000329024912 571309268 /nfs/dbraw/zinc/30/92/68/571309268.db2.gz PDJGPICMBMWQEM-MRXNPFEDSA-N 1 2 410.440 4.554 40 0 HHABLO O=S1(=O)C[C@H]2[NH+]=C(SCc3ccc(F)cc3)N(Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000032508615 527315728 /nfs/dbraw/zinc/31/57/28/527315728.db2.gz HITUVVWVFBIPET-QZTJIDSGSA-N 1 2 424.950 3.750 40 0 HHABLO O=S1(=O)C[C@H]2[C@@H](C1)[NH+]=C(SCc1ccccc1)N2Cc1ccc(Cl)cc1 ZINC000032508680 527316052 /nfs/dbraw/zinc/31/60/52/527316052.db2.gz GVEKCMFINGTPQD-MSOLQXFVSA-N 1 2 406.960 3.611 40 0 HHABLO O=S1(=O)C[C@H]2[C@@H](C1)[NH+]=C(SCc1ccc(F)cc1)N2Cc1ccc(Cl)cc1 ZINC000032508613 527316159 /nfs/dbraw/zinc/31/61/59/527316159.db2.gz HITUVVWVFBIPET-MSOLQXFVSA-N 1 2 424.950 3.750 40 0 HHABLO COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccc(C)cc1)C[N@@H+](C)CC2 ZINC000408569411 557466925 /nfs/dbraw/zinc/46/69/25/557466925.db2.gz WQHGKQSUTSPMLF-ZDUSSCGKSA-N 1 2 404.557 3.950 40 0 HHABLO COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccc(C)cc1)C[N@H+](C)CC2 ZINC000408569411 557466930 /nfs/dbraw/zinc/46/69/30/557466930.db2.gz WQHGKQSUTSPMLF-ZDUSSCGKSA-N 1 2 404.557 3.950 40 0 HHABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1cccc(Br)c1 ZINC000008107480 557772722 /nfs/dbraw/zinc/77/27/22/557772722.db2.gz QHOQYQZSDITOTO-UHFFFAOYSA-N 1 2 420.376 3.768 40 0 HHABLO COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)c1 ZINC000012116458 558328594 /nfs/dbraw/zinc/32/85/94/558328594.db2.gz RMLUZGROFPWSFN-IAGOWNOFSA-N 1 2 422.529 3.684 40 0 HHABLO O=C(C[NH+]1CCCC1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000013266691 558528451 /nfs/dbraw/zinc/52/84/51/558528451.db2.gz URAZSMOJCWCZEU-UHFFFAOYSA-N 1 2 410.543 3.534 40 0 HHABLO C[C@H](Oc1cccc2ccccc21)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013709186 558575266 /nfs/dbraw/zinc/57/52/66/558575266.db2.gz BSAGFZCNJRSIAX-SFHVURJKSA-N 1 2 418.493 3.680 40 0 HHABLO Cc1nc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240392 558858951 /nfs/dbraw/zinc/85/89/51/558858951.db2.gz OSSVXKXMBXUIST-YVEFUNNKSA-N 1 2 400.552 3.578 40 0 HHABLO Cc1nccc(-c2cccc(-c3noc(C[N@H+](Cc4ccccc4)[C@@H](C)CO)n3)c2)n1 ZINC000019287577 558860967 /nfs/dbraw/zinc/86/09/67/558860967.db2.gz SHQGZXWDBIFNKT-KRWDZBQOSA-N 1 2 415.497 3.885 40 0 HHABLO Cc1nccc(-c2cccc(-c3noc(C[N@@H+](Cc4ccccc4)[C@@H](C)CO)n3)c2)n1 ZINC000019287577 558860970 /nfs/dbraw/zinc/86/09/70/558860970.db2.gz SHQGZXWDBIFNKT-KRWDZBQOSA-N 1 2 415.497 3.885 40 0 HHABLO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000019346383 558873646 /nfs/dbraw/zinc/87/36/46/558873646.db2.gz XDLSFFJGDCXTBR-UHFFFAOYSA-N 1 2 424.570 3.924 40 0 HHABLO COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(Cn4cc[nH+]c4)o3)n2)c1 ZINC000019552704 558916088 /nfs/dbraw/zinc/91/60/88/558916088.db2.gz GTAGCPPXIGMKAQ-UHFFFAOYSA-N 1 2 410.455 3.917 40 0 HHABLO COc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1Cc1c2cnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000019569997 558928922 /nfs/dbraw/zinc/92/89/22/558928922.db2.gz FIRKFRATIFVWAF-GHTZIAJQSA-N 1 2 423.538 3.546 40 0 HHABLO COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1c2cnn1-c1ccc(S(C)(=O)=O)cc1 ZINC000019569997 558928924 /nfs/dbraw/zinc/92/89/24/558928924.db2.gz FIRKFRATIFVWAF-GHTZIAJQSA-N 1 2 423.538 3.546 40 0 HHABLO CC(=O)Nc1ccc(Oc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)c2)cc1 ZINC000019570233 558929275 /nfs/dbraw/zinc/92/92/75/558929275.db2.gz VKRJNNJAVUETFL-QGZVFWFLSA-N 1 2 419.485 3.884 40 0 HHABLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1cnc(N(C)C)nc1)CC2 ZINC000019585558 558939033 /nfs/dbraw/zinc/93/90/33/558939033.db2.gz HXYGQCKSFIJSHD-QHCPKHFHSA-N 1 2 404.514 3.708 40 0 HHABLO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cnc(N(C)C)nc1)CC2 ZINC000019585558 558939034 /nfs/dbraw/zinc/93/90/34/558939034.db2.gz HXYGQCKSFIJSHD-QHCPKHFHSA-N 1 2 404.514 3.708 40 0 HHABLO O[C@H](c1nccs1)c1cccc(F)c1N1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000072340591 558939292 /nfs/dbraw/zinc/93/92/92/558939292.db2.gz CEDUYQBBORYNSH-FQEVSTJZSA-N 1 2 419.472 3.964 40 0 HHABLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072346295 558943304 /nfs/dbraw/zinc/94/33/04/558943304.db2.gz PJGKTVCJCWFQLQ-QFIPXVFZSA-N 1 2 419.504 3.976 40 0 HHABLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cccnc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072346295 558943308 /nfs/dbraw/zinc/94/33/08/558943308.db2.gz PJGKTVCJCWFQLQ-QFIPXVFZSA-N 1 2 419.504 3.976 40 0 HHABLO CCc1nnsc1C(=O)N1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1 ZINC000072353393 558950339 /nfs/dbraw/zinc/95/03/39/558950339.db2.gz DMKIDOMLXLQWCF-OAHLLOKOSA-N 1 2 408.531 3.962 40 0 HHABLO COc1ccc(CC(=O)N2CCC[C@@H](c3cncc(-n4cc[nH+]c4C(C)C)n3)C2)cc1 ZINC000072355319 558952515 /nfs/dbraw/zinc/95/25/15/558952515.db2.gz JAXTUAWUZRMSHH-LJQANCHMSA-N 1 2 419.529 3.743 40 0 HHABLO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)n1 ZINC000072357702 558953523 /nfs/dbraw/zinc/95/35/23/558953523.db2.gz WOVBUHWQIGWKTJ-LJQANCHMSA-N 1 2 408.527 3.913 40 0 HHABLO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2nccs2)n1 ZINC000072357702 558953525 /nfs/dbraw/zinc/95/35/25/558953525.db2.gz WOVBUHWQIGWKTJ-LJQANCHMSA-N 1 2 408.527 3.913 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370242 558956546 /nfs/dbraw/zinc/95/65/46/558956546.db2.gz KAQXZBABXRRVTQ-GOSISDBHSA-N 1 2 404.495 3.517 40 0 HHABLO NC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000072370242 558956549 /nfs/dbraw/zinc/95/65/49/558956549.db2.gz KAQXZBABXRRVTQ-GOSISDBHSA-N 1 2 404.495 3.517 40 0 HHABLO Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4ccc(-c5ccc(N)[nH+]c5)cn4)C3)c2c1 ZINC000019689237 558958633 /nfs/dbraw/zinc/95/86/33/558958633.db2.gz LUTRYOVVQQELNZ-SFHVURJKSA-N 1 2 412.497 3.930 40 0 HHABLO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n[nH]2)c1 ZINC000072371676 558958866 /nfs/dbraw/zinc/95/88/66/558958866.db2.gz UURVOAMNGWIXOS-AWEZNQCLSA-N 1 2 405.424 3.763 40 0 HHABLO FC(F)(F)c1cccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n[nH]2)c1 ZINC000072371676 558958870 /nfs/dbraw/zinc/95/88/70/558958870.db2.gz UURVOAMNGWIXOS-AWEZNQCLSA-N 1 2 405.424 3.763 40 0 HHABLO O=C(c1ccccn1)N1CCC(c2c3cccnc3sc2C[NH+]2CCOCC2)CC1 ZINC000072373403 558961106 /nfs/dbraw/zinc/96/11/06/558961106.db2.gz QMDNUQLICLSVBC-UHFFFAOYSA-N 1 2 422.554 3.543 40 0 HHABLO Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(CC(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000072374858 558963021 /nfs/dbraw/zinc/96/30/21/558963021.db2.gz WHDISMRIMGVCFG-IBGZPJMESA-N 1 2 422.577 3.894 40 0 HHABLO CCOc1ccc(C(=O)N2CCc3[nH+]cc(-c4cccc(NC(C)=O)c4)n3CC2)cc1 ZINC000585111195 559031713 /nfs/dbraw/zinc/03/17/13/559031713.db2.gz INGLGJKLHVVKDB-UHFFFAOYSA-N 1 2 418.497 3.606 40 0 HHABLO COc1cccc(-c2cccc3c([C@H]4CN(Cc5cccnc5)CCO4)[nH+]cn32)c1 ZINC000096155869 559099940 /nfs/dbraw/zinc/09/99/40/559099940.db2.gz HWJFCSMJTWHMRP-HSZRJFAPSA-N 1 2 400.482 3.978 40 0 HHABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096263365 559107103 /nfs/dbraw/zinc/10/71/03/559107103.db2.gz HBQPHRCPAWRJEN-UHFFFAOYSA-N 1 2 404.489 3.766 40 0 HHABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096263365 559107104 /nfs/dbraw/zinc/10/71/04/559107104.db2.gz HBQPHRCPAWRJEN-UHFFFAOYSA-N 1 2 404.489 3.766 40 0 HHABLO CC[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1ccncc1)CC2 ZINC000096263307 559107134 /nfs/dbraw/zinc/10/71/34/559107134.db2.gz GACHHVWFZMQEQD-UHFFFAOYSA-N 1 2 419.504 3.551 40 0 HHABLO CC[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(=O)c1ccncc1)CC2 ZINC000096263307 559107135 /nfs/dbraw/zinc/10/71/35/559107135.db2.gz GACHHVWFZMQEQD-UHFFFAOYSA-N 1 2 419.504 3.551 40 0 HHABLO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc(=O)n3[nH]c(C4CCOCC4)cc3n2)cc1 ZINC000100769429 559140143 /nfs/dbraw/zinc/14/01/43/559140143.db2.gz LMIZSVISGSPKCR-MRXNPFEDSA-N 1 2 410.518 3.967 40 0 HHABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1cccc2c1CCCC2 ZINC000257264934 559284966 /nfs/dbraw/zinc/28/49/66/559284966.db2.gz LWPANIKFBYYMHP-AHWVRZQESA-N 1 2 420.553 3.954 40 0 HHABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)Nc1cccc2c1CCCC2 ZINC000257264934 559284967 /nfs/dbraw/zinc/28/49/67/559284967.db2.gz LWPANIKFBYYMHP-AHWVRZQESA-N 1 2 420.553 3.954 40 0 HHABLO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514289926 560031534 /nfs/dbraw/zinc/03/15/34/560031534.db2.gz ODOBGZKLQNGTCW-JAXLGGSGSA-N 1 2 419.591 3.972 40 0 biogenic,in-vitro HHABLO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514289926 560031536 /nfs/dbraw/zinc/03/15/36/560031536.db2.gz ODOBGZKLQNGTCW-JAXLGGSGSA-N 1 2 419.591 3.972 40 0 biogenic,in-vitro HHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000000889980 560542072 /nfs/dbraw/zinc/54/20/72/560542072.db2.gz XZPWAYKSDXLSHB-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO CC[NH+](CC)[C@@H](c1nnnn1Cc1ccccc1)c1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000889661 560542095 /nfs/dbraw/zinc/54/20/95/560542095.db2.gz DLZXAECHICJWFE-JOCHJYFZSA-N 1 2 416.529 3.611 40 0 HHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000000889978 560542143 /nfs/dbraw/zinc/54/21/43/560542143.db2.gz XZPWAYKSDXLSHB-NRFANRHFSA-N 1 2 406.534 3.822 40 0 HHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCCCC1 ZINC000000909817 560545983 /nfs/dbraw/zinc/54/59/83/560545983.db2.gz VOPUBGQOXGACCN-HXUWFJFHSA-N 1 2 408.550 3.852 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000909460 560546017 /nfs/dbraw/zinc/54/60/17/560546017.db2.gz QNBNRELXQFLWDR-FQEVSTJZSA-N 1 2 408.550 3.789 40 0 HHABLO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 ZINC000005002391 560620445 /nfs/dbraw/zinc/62/04/45/560620445.db2.gz PKCSSHBTXSYBCG-UHFFFAOYSA-N 1 2 410.543 3.534 40 0 HHABLO Cc1cc(C)cc(CSCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000409025717 560667885 /nfs/dbraw/zinc/66/78/85/560667885.db2.gz ZLQZDQCRBARAJJ-UHFFFAOYSA-N 1 2 412.555 3.610 40 0 HHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000202794549 560737082 /nfs/dbraw/zinc/73/70/82/560737082.db2.gz YVVIEIJUWGNPIF-QVKFZJNVSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c12 ZINC000202794549 560737084 /nfs/dbraw/zinc/73/70/84/560737084.db2.gz YVVIEIJUWGNPIF-QVKFZJNVSA-N 1 2 406.534 3.759 40 0 HHABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(C)=O)cc3n2)c(C)c1 ZINC000017088602 560863564 /nfs/dbraw/zinc/86/35/64/560863564.db2.gz PKRGGOGQAZUTJI-UHFFFAOYSA-N 1 2 410.547 3.716 40 0 HHABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670798 568494847 /nfs/dbraw/zinc/49/48/47/568494847.db2.gz JXJZSIDSLZGFNZ-OAQYLSRUSA-N 1 2 412.488 3.663 40 0 HHABLO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671002 568495055 /nfs/dbraw/zinc/49/50/55/568495055.db2.gz NGZDFVVCGCTUNP-QFIPXVFZSA-N 1 2 424.524 3.533 40 0 HHABLO CCCC[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671581 568495302 /nfs/dbraw/zinc/49/53/02/568495302.db2.gz WKYHGPLZNPEQOG-FQEVSTJZSA-N 1 2 414.554 3.976 40 0 HHABLO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)[N@H+]4CCC[C@H]4[C@H]3C2=O)c1 ZINC000101224043 568502053 /nfs/dbraw/zinc/50/20/53/568502053.db2.gz LKISCTNMRXYASH-BQJUDKOJSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc(Cl)cc4)[N@@H+]4CCC[C@H]4[C@H]3C2=O)c1 ZINC000101224043 568502055 /nfs/dbraw/zinc/50/20/55/568502055.db2.gz LKISCTNMRXYASH-BQJUDKOJSA-N 1 2 422.912 3.792 40 0 HHABLO CCn1c2ccc(S(=O)(=O)Nc3ccc([NH+]4CCCCC4)cc3)cc2sc1=O ZINC000224981053 568607267 /nfs/dbraw/zinc/60/72/67/568607267.db2.gz WDOHGNLBYRUZTH-UHFFFAOYSA-N 1 2 417.556 3.874 40 0 HHABLO [NH3+][C@@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533990 568635435 /nfs/dbraw/zinc/63/54/35/568635435.db2.gz RVHPODFYZGDAOV-CYBMUJFWSA-N 1 2 410.646 3.778 40 0 HHABLO COc1ccc(C2(C(=O)N3CCC[C@](C)(c4cc(N)nc(C)[nH+]4)C3)CCCC2)cc1 ZINC000257219198 568781546 /nfs/dbraw/zinc/78/15/46/568781546.db2.gz DFYZMHRSFUPHEQ-QHCPKHFHSA-N 1 2 408.546 3.768 40 0 HHABLO CCCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257224381 568783321 /nfs/dbraw/zinc/78/33/21/568783321.db2.gz FBOYGIOBKWXLKR-JOCHJYFZSA-N 1 2 405.502 3.978 40 0 HHABLO CCCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000257224381 568783322 /nfs/dbraw/zinc/78/33/22/568783322.db2.gz FBOYGIOBKWXLKR-JOCHJYFZSA-N 1 2 405.502 3.978 40 0 HHABLO COc1ccc([C@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CC[N@@H+]2C)cc1 ZINC000257276607 568797566 /nfs/dbraw/zinc/79/75/66/568797566.db2.gz NULXNUVOLAOPFQ-HSZRJFAPSA-N 1 2 408.542 3.567 40 0 HHABLO COc1ccc([C@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CC[N@H+]2C)cc1 ZINC000257276607 568797569 /nfs/dbraw/zinc/79/75/69/568797569.db2.gz NULXNUVOLAOPFQ-HSZRJFAPSA-N 1 2 408.542 3.567 40 0 HHABLO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cccnc4N(C)C)CCO3)n2)cc1 ZINC000257282866 568799344 /nfs/dbraw/zinc/79/93/44/568799344.db2.gz OVPJJIWDTMSZGP-QHCPKHFHSA-N 1 2 404.514 3.792 40 0 HHABLO COc1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cccnc4N(C)C)CCO3)n2)cc1 ZINC000257282866 568799345 /nfs/dbraw/zinc/79/93/45/568799345.db2.gz OVPJJIWDTMSZGP-QHCPKHFHSA-N 1 2 404.514 3.792 40 0 HHABLO Cc1cccnc1Nc1ccc([C@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)nc1 ZINC000257306486 568806516 /nfs/dbraw/zinc/80/65/16/568806516.db2.gz SULFKRCPOCUVOR-OAQYLSRUSA-N 1 2 404.518 3.563 40 0 HHABLO Cc1cccnc1Nc1ccc([C@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)nc1 ZINC000257306486 568806518 /nfs/dbraw/zinc/80/65/18/568806518.db2.gz SULFKRCPOCUVOR-OAQYLSRUSA-N 1 2 404.518 3.563 40 0 HHABLO Cn1cc(-c2cccc([C@@H]3C[N@H+](Cc4ccc5c(c4)CC(C)(C)O5)CCO3)n2)cn1 ZINC000257325595 568812033 /nfs/dbraw/zinc/81/20/33/568812033.db2.gz WTQVWUSZYQCFNW-QHCPKHFHSA-N 1 2 404.514 3.769 40 0 HHABLO Cn1cc(-c2cccc([C@@H]3C[N@@H+](Cc4ccc5c(c4)CC(C)(C)O5)CCO3)n2)cn1 ZINC000257325595 568812035 /nfs/dbraw/zinc/81/20/35/568812035.db2.gz WTQVWUSZYQCFNW-QHCPKHFHSA-N 1 2 404.514 3.769 40 0 HHABLO COc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)c1OC ZINC000257341608 568816560 /nfs/dbraw/zinc/81/65/60/568816560.db2.gz ZLAWDFARFMEGCG-OAQYLSRUSA-N 1 2 406.486 3.811 40 0 HHABLO COc1cccc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)c1OC ZINC000257341608 568816562 /nfs/dbraw/zinc/81/65/62/568816562.db2.gz ZLAWDFARFMEGCG-OAQYLSRUSA-N 1 2 406.486 3.811 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Cl)cc1 ZINC000261364899 568819510 /nfs/dbraw/zinc/81/95/10/568819510.db2.gz OOWQHFKGXWOBPG-IBGZPJMESA-O 1 2 413.910 3.816 40 0 HHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccn1 ZINC000261364189 568819535 /nfs/dbraw/zinc/81/95/35/568819535.db2.gz JWCNANXCRIVUDA-NRFANRHFSA-O 1 2 422.534 3.727 40 0 HHABLO CCCOc1ccccc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365358 568819802 /nfs/dbraw/zinc/81/98/02/568819802.db2.gz ROMNRCWIZHGPNT-NRFANRHFSA-O 1 2 423.518 3.561 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306140850 568902458 /nfs/dbraw/zinc/90/24/58/568902458.db2.gz VFJKGQHOKUNLGU-FYYLOGMGSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@H+]2C[C@@H]3c4cc(-c5cccnc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306140850 568902459 /nfs/dbraw/zinc/90/24/59/568902459.db2.gz VFJKGQHOKUNLGU-FYYLOGMGSA-N 1 2 406.507 3.513 40 0 HHABLO Cc1ccc(C(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@@]3(CCN(CC4CC4)C3=O)C2)cc1 ZINC000306141933 568903514 /nfs/dbraw/zinc/90/35/14/568903514.db2.gz WKQPEWNCMNYIQN-SQJMNOBHSA-N 1 2 420.557 3.641 40 0 HHABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)c(Br)c1 ZINC000328959310 568969733 /nfs/dbraw/zinc/96/97/33/568969733.db2.gz ASWRJSSCPDFQOV-AWEZNQCLSA-N 1 2 413.319 3.595 40 0 HHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(OC)c1 ZINC000261362491 569413420 /nfs/dbraw/zinc/41/34/20/569413420.db2.gz DKMLXJAIRGEQFG-NRFANRHFSA-O 1 2 423.518 3.561 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccco1 ZINC000261364918 569413759 /nfs/dbraw/zinc/41/37/59/569413759.db2.gz ORUWNWZTLVCIDT-HXUWFJFHSA-O 1 2 417.470 3.659 40 0 HHABLO CCOc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc1 ZINC000261364585 569413765 /nfs/dbraw/zinc/41/37/65/569413765.db2.gz MKEHAUPMZIFCHW-NRFANRHFSA-O 1 2 423.518 3.561 40 0 HHABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](Cc2cccnc2)C3)cc1 ZINC000096111887 291254695 /nfs/dbraw/zinc/25/46/95/291254695.db2.gz UONFGQQHCOGIOW-GMAHTHKFSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](Cc2cccnc2)C3)cc1 ZINC000096111887 291254697 /nfs/dbraw/zinc/25/46/97/291254697.db2.gz UONFGQQHCOGIOW-GMAHTHKFSA-N 1 2 415.493 3.659 40 0 biogenic,in-vitro HHABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674126 291260201 /nfs/dbraw/zinc/26/02/01/291260201.db2.gz NOBQNXSFPDNZSY-WBVHZDCISA-N 1 2 405.376 3.943 40 0 biogenic,in-vitro HHABLO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000015674126 291260204 /nfs/dbraw/zinc/26/02/04/291260204.db2.gz NOBQNXSFPDNZSY-WBVHZDCISA-N 1 2 405.376 3.943 40 0 biogenic,in-vitro HHABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3C(C)(C)C)c3ccccc3)CC2)c1C ZINC000019235614 132466680 /nfs/dbraw/zinc/46/66/80/132466680.db2.gz FBIJPBLKGNNQOP-JOCHJYFZSA-N 1 2 404.562 3.957 40 0 HHABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C(C)(C)C)c3ccccc3)CC2)c1 ZINC000035290564 557675862 /nfs/dbraw/zinc/67/58/62/557675862.db2.gz AWOXFSIUXJDOAZ-JOCHJYFZSA-N 1 2 404.562 3.957 40 0 HHABLO CCCn1c2nnc(SCc3cn4cccc(C)c4[nH+]3)n2c2ccccc2c1=O ZINC000007735773 557758220 /nfs/dbraw/zinc/75/82/20/557758220.db2.gz SZXWOTDCXPQALU-UHFFFAOYSA-N 1 2 404.499 3.703 40 0 HHABLO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000035876778 557829616 /nfs/dbraw/zinc/82/96/16/557829616.db2.gz YFMMOCVQZBMPGN-NCYKPQTJSA-N 1 2 422.912 3.738 40 0 HHABLO CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000035876778 557829619 /nfs/dbraw/zinc/82/96/19/557829619.db2.gz YFMMOCVQZBMPGN-NCYKPQTJSA-N 1 2 422.912 3.738 40 0 HHABLO Cc1cc(N2CCC[C@H]2c2nc(C)c3c(n2)N(C)C(=O)CC3)nc(-c2ccccc2)[nH+]1 ZINC000019740766 558261531 /nfs/dbraw/zinc/26/15/31/558261531.db2.gz RPAXDXGCHPNDGL-IBGZPJMESA-N 1 2 414.513 3.801 40 0 HHABLO O=C(NCCSCc1c(F)cccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000019934040 558311390 /nfs/dbraw/zinc/31/13/90/558311390.db2.gz PHZRPVGEJIMKGS-UHFFFAOYSA-N 1 2 422.953 3.975 40 0 HHABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cc(OC)cc(OC)c2)CC1 ZINC000012116393 558328559 /nfs/dbraw/zinc/32/85/59/558328559.db2.gz CEBSLZOVSAHGOA-UHFFFAOYSA-N 1 2 422.529 3.606 40 0 HHABLO COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)c1 ZINC000012116359 558328618 /nfs/dbraw/zinc/32/86/18/558328618.db2.gz FCFHSUZBWBVQJV-MRXNPFEDSA-N 1 2 422.529 3.684 40 0 HHABLO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](n2c(=O)c3c(C)c(C)sc3nc2C(C)C)C1 ZINC000012184107 558344113 /nfs/dbraw/zinc/34/41/13/558344113.db2.gz JGKRQOGUHYISJT-KRWDZBQOSA-N 1 2 418.607 3.704 40 0 HHABLO CCN(CC)C(=O)C[N@H+]1CCC[C@H](n2c(=O)c3c(C)c(C)sc3nc2C(C)C)C1 ZINC000012184107 558344116 /nfs/dbraw/zinc/34/41/16/558344116.db2.gz JGKRQOGUHYISJT-KRWDZBQOSA-N 1 2 418.607 3.704 40 0 HHABLO COc1ccc(OC)c(C[N@@H+](Cc2coc3ccccc3c2=O)C[C@H]2CCCO2)c1 ZINC000012187491 558346338 /nfs/dbraw/zinc/34/63/38/558346338.db2.gz XYESUOYDKVBREQ-HXUWFJFHSA-N 1 2 409.482 3.991 40 0 HHABLO COc1ccc(OC)c(C[N@H+](Cc2coc3ccccc3c2=O)C[C@H]2CCCO2)c1 ZINC000012187491 558346341 /nfs/dbraw/zinc/34/63/41/558346341.db2.gz XYESUOYDKVBREQ-HXUWFJFHSA-N 1 2 409.482 3.991 40 0 HHABLO FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@@H]3CC[NH+]3CCOCC3)n2)cc1 ZINC000019336962 558870427 /nfs/dbraw/zinc/87/04/27/558870427.db2.gz HVUSYOZBKLKNTM-GOSISDBHSA-N 1 2 424.467 3.832 40 0 HHABLO O=C(C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(Br)c1 ZINC000055211510 558876152 /nfs/dbraw/zinc/87/61/52/558876152.db2.gz HVHOIWBGVPMEDE-UHFFFAOYSA-N 1 2 408.727 3.863 40 0 HHABLO CC(C)Cc1cc(C(=O)Nc2cccc(CCc3[nH]c4ccccc4[nH+]3)c2)[nH]c(=O)n1 ZINC000019447487 558886523 /nfs/dbraw/zinc/88/65/23/558886523.db2.gz GTLMJZGXISOSFS-UHFFFAOYSA-N 1 2 415.497 3.882 40 0 HHABLO COc1ccc(C[N@@H+](Cc2c(C)nc3sccn23)C[C@@H]2CCCO2)c(OC)c1 ZINC000057811162 558890732 /nfs/dbraw/zinc/89/07/32/558890732.db2.gz IVSYZJVFMUJYDF-SFHVURJKSA-N 1 2 401.532 3.903 40 0 HHABLO COc1ccc(C[N@H+](Cc2c(C)nc3sccn23)C[C@@H]2CCCO2)c(OC)c1 ZINC000057811162 558890735 /nfs/dbraw/zinc/89/07/35/558890735.db2.gz IVSYZJVFMUJYDF-SFHVURJKSA-N 1 2 401.532 3.903 40 0 HHABLO Cc1nc([C@H](Cc2ccsc2)NC(=O)C[N@@H+](C)Cc2ccccn2)sc1C ZINC000019559767 558920950 /nfs/dbraw/zinc/92/09/50/558920950.db2.gz ZALIJQFJOCKCMR-SFHVURJKSA-N 1 2 400.573 3.748 40 0 HHABLO Cc1nc([C@H](Cc2ccsc2)NC(=O)C[N@H+](C)Cc2ccccn2)sc1C ZINC000019559767 558920952 /nfs/dbraw/zinc/92/09/52/558920952.db2.gz ZALIJQFJOCKCMR-SFHVURJKSA-N 1 2 400.573 3.748 40 0 HHABLO Cc1sc2ncnc(NCCC(=O)NCc3ccccc3-n3cc[nH+]c3)c2c1C ZINC000019561664 558922359 /nfs/dbraw/zinc/92/23/59/558922359.db2.gz NTBSOGYLYZYYLI-UHFFFAOYSA-N 1 2 406.515 3.612 40 0 HHABLO Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)[nH+]1 ZINC000019570318 558929145 /nfs/dbraw/zinc/92/91/45/558929145.db2.gz PMWBJMHOSNCOGU-QGZVFWFLSA-N 1 2 405.502 3.991 40 0 HHABLO COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000019581512 558936911 /nfs/dbraw/zinc/93/69/11/558936911.db2.gz SOYWDOWPVDQDAR-VXKWHMMOSA-N 1 2 424.932 3.849 40 0 HHABLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cccnc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072346296 558943328 /nfs/dbraw/zinc/94/33/28/558943328.db2.gz PJGKTVCJCWFQLQ-JOCHJYFZSA-N 1 2 419.504 3.976 40 0 HHABLO Cc1nc([C@H]2CCCC[N@H+]2Cc2cccnc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072346296 558943332 /nfs/dbraw/zinc/94/33/32/558943332.db2.gz PJGKTVCJCWFQLQ-JOCHJYFZSA-N 1 2 419.504 3.976 40 0 HHABLO COc1ccc(CC(=O)N2CCC[C@H](c3cncc(-n4cc[nH+]c4C(C)C)n3)C2)cc1 ZINC000072355320 558952566 /nfs/dbraw/zinc/95/25/66/558952566.db2.gz JAXTUAWUZRMSHH-IBGZPJMESA-N 1 2 419.529 3.743 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cn(C)c3ccccc23)CCO1 ZINC000072370233 558956539 /nfs/dbraw/zinc/95/65/39/558956539.db2.gz POJKYQVJFGWZDJ-IBGZPJMESA-N 1 2 420.538 3.721 40 0 HHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cn(C)c3ccccc23)CCO1 ZINC000072370233 558956541 /nfs/dbraw/zinc/95/65/41/558956541.db2.gz POJKYQVJFGWZDJ-IBGZPJMESA-N 1 2 420.538 3.721 40 0 HHABLO COc1cccc(CC(=O)N2CCC(c3ccc(-c4ccc(N)[nH+]c4)cn3)CC2)c1 ZINC000019689012 558958397 /nfs/dbraw/zinc/95/83/97/558958397.db2.gz IMRIRWKXRUUQIX-UHFFFAOYSA-N 1 2 402.498 3.683 40 0 HHABLO Nc1ccc(-c2ccc([C@@H]3CCCN(C(=O)COc4ccc(F)cc4)C3)nc2)c[nH+]1 ZINC000019689132 558958598 /nfs/dbraw/zinc/95/85/98/558958598.db2.gz IPLVMJNQFDDEAF-GOSISDBHSA-N 1 2 406.461 3.650 40 0 HHABLO COc1ccccc1C(=O)N1CC[NH+](Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000072393703 558972947 /nfs/dbraw/zinc/97/29/47/558972947.db2.gz AHFYMLWWNHWTKY-UHFFFAOYSA-N 1 2 418.419 3.548 40 0 HHABLO COc1ccccc1OCC[NH+]1CCN(Cc2c3cccnc3[nH]c2C2CC2)CC1 ZINC000072393726 558973282 /nfs/dbraw/zinc/97/32/82/558973282.db2.gz WWDXHHWJMIDJLH-UHFFFAOYSA-N 1 2 406.530 3.646 40 0 HHABLO Cc1cccn2cc(-c3cccc(NC(=O)c4nc5ccccc5n(C)c4=O)c3)[nH+]c12 ZINC000019715014 558975535 /nfs/dbraw/zinc/97/55/35/558975535.db2.gz XFKAQCDKVOEQQF-UHFFFAOYSA-N 1 2 409.449 3.809 40 0 HHABLO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104714 559027232 /nfs/dbraw/zinc/02/72/32/559027232.db2.gz RUXVBFQRVLCXGR-HXOBKFHXSA-N 1 2 400.469 3.777 40 0 HHABLO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104714 559027234 /nfs/dbraw/zinc/02/72/34/559027234.db2.gz RUXVBFQRVLCXGR-HXOBKFHXSA-N 1 2 400.469 3.777 40 0 HHABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000585272671 559118181 /nfs/dbraw/zinc/11/81/81/559118181.db2.gz PJGCYADRYTUXSB-FQEVSTJZSA-N 1 2 409.313 3.519 40 0 HHABLO NC(=O)C[C@@]1(COc2cccc(Cl)c2)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000585272671 559118182 /nfs/dbraw/zinc/11/81/82/559118182.db2.gz PJGCYADRYTUXSB-FQEVSTJZSA-N 1 2 409.313 3.519 40 0 HHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1C ZINC000000889543 560541968 /nfs/dbraw/zinc/54/19/68/560541968.db2.gz LQYURBQTWXBUGW-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889297 560542324 /nfs/dbraw/zinc/54/23/24/560542324.db2.gz SYAUZEKXEWSNHU-OAQYLSRUSA-N 1 2 406.534 3.904 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCCCC1 ZINC000000910076 560546070 /nfs/dbraw/zinc/54/60/70/560546070.db2.gz OWQKHUAHFXVQEX-FQEVSTJZSA-N 1 2 408.550 3.852 40 0 HHABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000926109 560556878 /nfs/dbraw/zinc/55/68/78/560556878.db2.gz DBFLQOMBCKZZHB-UHFFFAOYSA-N 1 2 406.534 3.883 40 0 HHABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000926109 560556880 /nfs/dbraw/zinc/55/68/80/560556880.db2.gz DBFLQOMBCKZZHB-UHFFFAOYSA-N 1 2 406.534 3.883 40 0 HHABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(I)cc1)C2 ZINC000409207216 560691381 /nfs/dbraw/zinc/69/13/81/560691381.db2.gz QMUNTCVTHIPEIA-UHFFFAOYSA-N 1 2 406.267 3.862 40 0 HHABLO CC(C)C[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013504733 560812869 /nfs/dbraw/zinc/81/28/69/560812869.db2.gz MRGYRKJJISETLZ-QFIPXVFZSA-N 1 2 408.525 3.770 40 0 HHABLO CC[C@H](Oc1cccc(C)c1C)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216456148 568465526 /nfs/dbraw/zinc/46/55/26/568465526.db2.gz XEARULMVVJOARF-FQEVSTJZSA-N 1 2 410.514 3.534 40 0 HHABLO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057671869 568493647 /nfs/dbraw/zinc/49/36/47/568493647.db2.gz RTYRDWIESKGPGY-QFIPXVFZSA-N 1 2 408.525 3.574 40 0 HHABLO COc1ccc(Cn2nnnc2[C@@H](CC(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000057671069 568494971 /nfs/dbraw/zinc/49/49/71/568494971.db2.gz CRSDTHJJISYTFJ-HSZRJFAPSA-N 1 2 420.561 3.639 40 0 HHABLO COc1ccc(CN2CC[N@H+](Cc3ccccc3F)C[C@H]2C)c(Cn2cccn2)c1 ZINC000057731476 568496513 /nfs/dbraw/zinc/49/65/13/568496513.db2.gz CXLRIDZGJWUJRF-LJQANCHMSA-N 1 2 408.521 3.785 40 0 HHABLO COc1ccc(CN2CC[N@@H+](Cc3ccccc3F)C[C@H]2C)c(Cn2cccn2)c1 ZINC000057731476 568496514 /nfs/dbraw/zinc/49/65/14/568496514.db2.gz CXLRIDZGJWUJRF-LJQANCHMSA-N 1 2 408.521 3.785 40 0 HHABLO Cc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cc1N1CCCC1=O ZINC000225455125 568639460 /nfs/dbraw/zinc/63/94/60/568639460.db2.gz UFXRLYQCZIXEEF-UHFFFAOYSA-N 1 2 405.527 3.794 40 0 HHABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000257205779 568777749 /nfs/dbraw/zinc/77/77/49/568777749.db2.gz BANNMPFYHCBRGL-SFHVURJKSA-N 1 2 411.527 3.985 40 0 HHABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000257205779 568777751 /nfs/dbraw/zinc/77/77/51/568777751.db2.gz BANNMPFYHCBRGL-SFHVURJKSA-N 1 2 411.527 3.985 40 0 HHABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(Nc4ncc(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257290799 568801641 /nfs/dbraw/zinc/80/16/41/568801641.db2.gz QEJFSFCCAXYMQZ-HXUWFJFHSA-N 1 2 412.563 3.997 40 0 HHABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(Nc4ncc(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257290799 568801642 /nfs/dbraw/zinc/80/16/42/568801642.db2.gz QEJFSFCCAXYMQZ-HXUWFJFHSA-N 1 2 412.563 3.997 40 0 HHABLO COc1cccc(OCCc2cc([C@@H]3C[N@H+](Cc4ccccc4F)CCO3)[nH]n2)c1 ZINC000257301731 568804868 /nfs/dbraw/zinc/80/48/68/568804868.db2.gz RZRIDCSGXCIXRE-QHCPKHFHSA-N 1 2 411.477 3.752 40 0 HHABLO COc1cccc(OCCc2cc([C@@H]3C[N@@H+](Cc4ccccc4F)CCO3)[nH]n2)c1 ZINC000257301731 568804870 /nfs/dbraw/zinc/80/48/70/568804870.db2.gz RZRIDCSGXCIXRE-QHCPKHFHSA-N 1 2 411.477 3.752 40 0 HHABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306124446 568887506 /nfs/dbraw/zinc/88/75/06/568887506.db2.gz BPSBGFUUYJGFHQ-FPOVZHCZSA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306124446 568887507 /nfs/dbraw/zinc/88/75/07/568887507.db2.gz BPSBGFUUYJGFHQ-FPOVZHCZSA-N 1 2 413.568 3.948 40 0 HHABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccc(Cl)o1)CCO2 ZINC000306125294 568888095 /nfs/dbraw/zinc/88/80/95/568888095.db2.gz CLMVITGJNGYQAP-BEFAXECRSA-N 1 2 409.939 3.642 40 0 HHABLO Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccc(Cl)o1)CCO2 ZINC000306125294 568888096 /nfs/dbraw/zinc/88/80/96/568888096.db2.gz CLMVITGJNGYQAP-BEFAXECRSA-N 1 2 409.939 3.642 40 0 HHABLO Cc1ccccc1C(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306134293 568896203 /nfs/dbraw/zinc/89/62/03/568896203.db2.gz NHZYTYBOGGXODR-PXDATVDWSA-N 1 2 420.557 3.641 40 0 HHABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4ccsc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306138360 568900344 /nfs/dbraw/zinc/90/03/44/568900344.db2.gz RVVMKMGFSYUUPQ-LPHOPBHVSA-N 1 2 402.566 3.935 40 0 HHABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4ccsc4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306138360 568900345 /nfs/dbraw/zinc/90/03/45/568900345.db2.gz RVVMKMGFSYUUPQ-LPHOPBHVSA-N 1 2 402.566 3.935 40 0 HHABLO OCCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329015878 568972825 /nfs/dbraw/zinc/97/28/25/568972825.db2.gz NDCSXGDVVHGNLT-UHFFFAOYSA-N 1 2 408.811 3.807 40 0 HHABLO Cc1c(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cccc1C(F)(F)F ZINC000329028488 568973533 /nfs/dbraw/zinc/97/35/33/568973533.db2.gz PVBZFNRRBRONMO-CYBMUJFWSA-N 1 2 402.420 3.851 40 0 HHABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000224356990 569059732 /nfs/dbraw/zinc/05/97/32/569059732.db2.gz AZXMHHHRGYOPCM-UHFFFAOYSA-N 1 2 424.332 3.857 40 0 HHABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccccc1I ZINC000226261167 569278660 /nfs/dbraw/zinc/27/86/60/569278660.db2.gz OJKQCUQCVWNWNX-UHFFFAOYSA-N 1 2 409.271 3.972 40 0 HHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(Cl)c1 ZINC000261363227 569413615 /nfs/dbraw/zinc/41/36/15/569413615.db2.gz GNSFOFADGJVMQP-IBGZPJMESA-O 1 2 413.910 3.816 40 0 HHABLO O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2c[nH+]c(C3CC3)c2)ccn1 ZINC000114896012 571315397 /nfs/dbraw/zinc/31/53/97/571315397.db2.gz ZGCMQKWOUIMBEP-UHFFFAOYSA-N 1 2 411.469 3.990 40 0 HHABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cc1 ZINC000096112349 291247384 /nfs/dbraw/zinc/24/73/84/291247384.db2.gz BTFQJFZPYGOKLE-KNQAVFIVSA-N 1 2 410.493 3.877 40 0 biogenic,in-vitro HHABLO CC(=O)Nc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)cc1 ZINC000096112349 291247385 /nfs/dbraw/zinc/24/73/85/291247385.db2.gz BTFQJFZPYGOKLE-KNQAVFIVSA-N 1 2 410.493 3.877 40 0 biogenic,in-vitro HHABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1Cc1ccc(F)cc1 ZINC000015707039 291250975 /nfs/dbraw/zinc/25/09/75/291250975.db2.gz NSMDTVFHWPOBHD-FQEVSTJZSA-N 1 2 413.880 3.824 40 0 biogenic,in-vitro HHABLO COc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675114 291255859 /nfs/dbraw/zinc/25/58/59/291255859.db2.gz BGZDOZKPGUNHNL-AEFFLSMTSA-N 1 2 417.868 3.769 40 0 biogenic,in-vitro HHABLO COc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675114 291255860 /nfs/dbraw/zinc/25/58/60/291255860.db2.gz BGZDOZKPGUNHNL-AEFFLSMTSA-N 1 2 417.868 3.769 40 0 biogenic,in-vitro HHABLO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000032501877 527515749 /nfs/dbraw/zinc/51/57/49/527515749.db2.gz SKXIVROJXLOBIM-UHFFFAOYSA-N 1 2 419.312 3.928 40 0 HHABLO Cc1cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc(C)c1Br ZINC000020035553 558324971 /nfs/dbraw/zinc/32/49/71/558324971.db2.gz GEWDTYIRJZADKJ-UHFFFAOYSA-N 1 2 414.303 3.947 40 0 HHABLO COc1ccc(C[N@@H+](Cc2cc3c(cc2OC)OCO3)C[C@H]2CCCO2)c(OC)c1 ZINC000012187213 558346211 /nfs/dbraw/zinc/34/62/11/558346211.db2.gz IMTIJSAAUZKERL-LJQANCHMSA-N 1 2 415.486 3.622 40 0 HHABLO COc1ccc(C[N@H+](Cc2cc3c(cc2OC)OCO3)C[C@H]2CCCO2)c(OC)c1 ZINC000012187213 558346213 /nfs/dbraw/zinc/34/62/13/558346213.db2.gz IMTIJSAAUZKERL-LJQANCHMSA-N 1 2 415.486 3.622 40 0 HHABLO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cnc2c(-c3ccccc3)cnn21 ZINC000038829587 558816251 /nfs/dbraw/zinc/81/62/51/558816251.db2.gz HNKMDBHWCIAVJQ-UHFFFAOYSA-N 1 2 411.509 3.663 40 0 HHABLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1CO ZINC000019116865 558842066 /nfs/dbraw/zinc/84/20/66/558842066.db2.gz AYLWZIHSIFJGPS-KRWDZBQOSA-N 1 2 420.435 3.895 40 0 HHABLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cc1CO ZINC000019116865 558842068 /nfs/dbraw/zinc/84/20/68/558842068.db2.gz AYLWZIHSIFJGPS-KRWDZBQOSA-N 1 2 420.435 3.895 40 0 HHABLO Cc1cc2c(cc1C[N@@H+]1CCc3onc(Nc4cccc(F)c4)c3C1)n(C)c(=O)n2C ZINC000019125593 558844658 /nfs/dbraw/zinc/84/46/58/558844658.db2.gz MKNZFLIPUUOHPD-UHFFFAOYSA-N 1 2 421.476 3.614 40 0 HHABLO Cc1cc2c(cc1C[N@H+]1CCc3onc(Nc4cccc(F)c4)c3C1)n(C)c(=O)n2C ZINC000019125593 558844661 /nfs/dbraw/zinc/84/46/61/558844661.db2.gz MKNZFLIPUUOHPD-UHFFFAOYSA-N 1 2 421.476 3.614 40 0 HHABLO COc1ccc([C@H](CN(C)C(=O)Cc2coc3cc(C)ccc23)[NH+]2CCOCC2)cc1 ZINC000019221579 558851953 /nfs/dbraw/zinc/85/19/53/558851953.db2.gz HIDODUPCAPOUPB-QHCPKHFHSA-N 1 2 422.525 3.824 40 0 HHABLO COc1cccc([C@H](NC(=O)c2cccc(N3CCCCC3)c2)c2[nH+]ccn2C)c1 ZINC000019291243 558863547 /nfs/dbraw/zinc/86/35/47/558863547.db2.gz SFFFPLAMFUAKGD-QFIPXVFZSA-N 1 2 404.514 3.938 40 0 HHABLO O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1C[NH+]1CCOCC1 ZINC000019349193 558874910 /nfs/dbraw/zinc/87/49/10/558874910.db2.gz NTQUBMQMEXRWOR-UHFFFAOYSA-N 1 2 411.502 3.958 40 0 HHABLO COC[C@H](C)Nc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000019456662 558892118 /nfs/dbraw/zinc/89/21/18/558892118.db2.gz XVYIPJGGMRDJAO-INIZCTEOSA-N 1 2 407.493 3.683 40 0 HHABLO COC[C@H](C)Nc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000019456662 558892122 /nfs/dbraw/zinc/89/21/22/558892122.db2.gz XVYIPJGGMRDJAO-INIZCTEOSA-N 1 2 407.493 3.683 40 0 HHABLO CCS(=O)(=O)N1CCC[C@@H](c2cc(Oc3ccc(N(C)C)cc3)cc(C)[nH+]2)C1 ZINC000019520297 558901195 /nfs/dbraw/zinc/90/11/95/558901195.db2.gz PFEHNIIJDZVHEA-QGZVFWFLSA-N 1 2 403.548 3.777 40 0 HHABLO CCn1ccnc1C[N@@H+]1CCN(C)C(=O)[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000019578112 558933824 /nfs/dbraw/zinc/93/38/24/558933824.db2.gz PWHZWWIQZVFCPS-JOCHJYFZSA-N 1 2 420.532 3.842 40 0 HHABLO CCn1ccnc1C[N@H+]1CCN(C)C(=O)[C@H](Cc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000019578112 558933825 /nfs/dbraw/zinc/93/38/25/558933825.db2.gz PWHZWWIQZVFCPS-JOCHJYFZSA-N 1 2 420.532 3.842 40 0 HHABLO CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000072350663 558947615 /nfs/dbraw/zinc/94/76/15/558947615.db2.gz VQCVHQHVLCKDKO-GOSISDBHSA-N 1 2 407.493 3.874 40 0 HHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072379170 558967966 /nfs/dbraw/zinc/96/79/66/558967966.db2.gz IZRLHTSCDHOHAL-MRXNPFEDSA-N 1 2 414.506 3.537 40 0 HHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000891694 560543001 /nfs/dbraw/zinc/54/30/01/560543001.db2.gz AOBNFHJTPHGWFG-HRAATJIYSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000891694 560543003 /nfs/dbraw/zinc/54/30/03/560543003.db2.gz AOBNFHJTPHGWFG-HRAATJIYSA-N 1 2 406.534 3.759 40 0 HHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)cc2c1 ZINC000000893375 560543147 /nfs/dbraw/zinc/54/31/47/560543147.db2.gz JYZDITVQPBHRJU-NRFANRHFSA-N 1 2 406.534 3.767 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000000908904 560545860 /nfs/dbraw/zinc/54/58/60/560545860.db2.gz PEOLPPLLLOWOPT-FQEVSTJZSA-N 1 2 408.550 3.789 40 0 HHABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000001224842 560572610 /nfs/dbraw/zinc/57/26/10/560572610.db2.gz OGSSAGFOMBAQHT-OAQYLSRUSA-N 1 2 422.533 3.604 40 0 HHABLO CCCn1c2ccccc2nc1N1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000004858113 560612179 /nfs/dbraw/zinc/61/21/79/560612179.db2.gz RLIWBWSEPJVGHY-UHFFFAOYSA-N 1 2 411.937 3.860 40 0 HHABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccco3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000008671098 560637996 /nfs/dbraw/zinc/63/79/96/560637996.db2.gz GQEFVBBSUDREEN-OAQYLSRUSA-N 1 2 418.501 3.760 40 0 HHABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccco3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000008671097 560638005 /nfs/dbraw/zinc/63/80/05/560638005.db2.gz GQEFVBBSUDREEN-NRFANRHFSA-N 1 2 418.501 3.760 40 0 HHABLO Cc1ccc(C)n1-n1c(CN2C[C@H](C)C[C@@H](C)C2)nnc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000260572271 560869126 /nfs/dbraw/zinc/86/91/26/560869126.db2.gz MDIBVYMKJJKNBR-UAFMIMERSA-N 1 2 412.626 3.964 40 0 HHABLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000019894389 560876914 /nfs/dbraw/zinc/87/69/14/560876914.db2.gz WDITWKDAIBAXOL-CQSZACIVSA-N 1 2 424.492 3.807 40 0 HHABLO CC(C)(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000020139206 560880992 /nfs/dbraw/zinc/88/09/92/560880992.db2.gz SDDAVQRWQXZDNL-FQEVSTJZSA-N 1 2 410.953 3.993 40 0 HHABLO CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670428 568494627 /nfs/dbraw/zinc/49/46/27/568494627.db2.gz AQZFVKKRVWNTIL-SFTDATJTSA-N 1 2 412.582 3.522 40 0 HHABLO Cc1cccc(N2CC[NH+]([C@@H](c3nnnn3Cc3ccccc3)C(C)C)CC2)c1C ZINC000057670636 568494712 /nfs/dbraw/zinc/49/47/12/568494712.db2.gz GJZNFJLTFHRZPR-HSZRJFAPSA-N 1 2 404.562 3.858 40 0 HHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000057670560 568494730 /nfs/dbraw/zinc/49/47/30/568494730.db2.gz LNKGULPWRFXGNL-FQEVSTJZSA-N 1 2 410.953 3.957 40 0 HHABLO CC(C)C[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057671240 568495125 /nfs/dbraw/zinc/49/51/25/568495125.db2.gz DHBLPTGCNONYOA-FQEVSTJZSA-N 1 2 414.941 3.877 40 0 HHABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 ZINC000219858831 568499269 /nfs/dbraw/zinc/49/92/69/568499269.db2.gz NRQWWFNGIDKKHF-NRFANRHFSA-N 1 2 421.541 3.759 40 0 HHABLO COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223019466 568534470 /nfs/dbraw/zinc/53/44/70/568534470.db2.gz VLVCXPIZGWNEAR-YADHBBJMSA-N 1 2 421.570 3.557 40 0 HHABLO Cc1ccc(NCc2nnc(SCC[NH+]3CCOCC3)n2-c2ccccc2)c(C)c1 ZINC000026067905 568538730 /nfs/dbraw/zinc/53/87/30/568538730.db2.gz CDKYZPFTTXDNGR-UHFFFAOYSA-N 1 2 423.586 3.921 40 0 HHABLO Cc1ccc(-n2c(COc3ccccc3)nnc2SCC[NH+]2CCOCC2)cc1 ZINC000026098887 568538908 /nfs/dbraw/zinc/53/89/08/568538908.db2.gz JYTHBYLNQLHGNP-UHFFFAOYSA-N 1 2 410.543 3.579 40 0 HHABLO O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000224971552 568606786 /nfs/dbraw/zinc/60/67/86/568606786.db2.gz VRBFLUHRIPRXDX-UHFFFAOYSA-N 1 2 414.505 3.969 40 0 HHABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000257205778 568777728 /nfs/dbraw/zinc/77/77/28/568777728.db2.gz BANNMPFYHCBRGL-GOSISDBHSA-N 1 2 411.527 3.985 40 0 HHABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2ccccc2)C1 ZINC000257205778 568777732 /nfs/dbraw/zinc/77/77/32/568777732.db2.gz BANNMPFYHCBRGL-GOSISDBHSA-N 1 2 411.527 3.985 40 0 HHABLO O=C(C[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1)Nc1ccccc1F ZINC000257224636 568783326 /nfs/dbraw/zinc/78/33/26/568783326.db2.gz FCQYGQPYMGIGGK-UHFFFAOYSA-N 1 2 406.465 3.572 40 0 HHABLO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@@H+]3Cc3cscn3)ccc2c1N ZINC000257233125 568785579 /nfs/dbraw/zinc/78/55/79/568785579.db2.gz GNXIAKOZFDDMGY-OAHLLOKOSA-N 1 2 401.561 3.764 40 0 HHABLO CN(C)C(=O)c1sc2nc([C@H]3CCCC[N@H+]3Cc3cscn3)ccc2c1N ZINC000257233125 568785581 /nfs/dbraw/zinc/78/55/81/568785581.db2.gz GNXIAKOZFDDMGY-OAHLLOKOSA-N 1 2 401.561 3.764 40 0 HHABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(Nc4cnccn4)n3)C1)CCC2 ZINC000257236070 568786512 /nfs/dbraw/zinc/78/65/12/568786512.db2.gz HAQUKVKSNLVMJO-JOCHJYFZSA-N 1 2 417.513 3.686 40 0 HHABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(Nc4cnccn4)n3)C1)CCC2 ZINC000257236070 568786514 /nfs/dbraw/zinc/78/65/14/568786514.db2.gz HAQUKVKSNLVMJO-JOCHJYFZSA-N 1 2 417.513 3.686 40 0 HHABLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1F ZINC000257266610 568794567 /nfs/dbraw/zinc/79/45/67/568794567.db2.gz MDRXEQHMSIVWOC-FPOVZHCZSA-N 1 2 406.885 3.630 40 0 HHABLO Cc1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C2)cc1F ZINC000257266610 568794570 /nfs/dbraw/zinc/79/45/70/568794570.db2.gz MDRXEQHMSIVWOC-FPOVZHCZSA-N 1 2 406.885 3.630 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257274067 568796852 /nfs/dbraw/zinc/79/68/52/568796852.db2.gz NJJTXIQITFEULK-XMMPIXPASA-N 1 2 417.509 3.738 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257274067 568796854 /nfs/dbraw/zinc/79/68/54/568796854.db2.gz NJJTXIQITFEULK-XMMPIXPASA-N 1 2 417.509 3.738 40 0 HHABLO CCOc1ccc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261366035 568819715 /nfs/dbraw/zinc/81/97/15/568819715.db2.gz XAVCMJCBJQPOQE-NRFANRHFSA-O 1 2 423.518 3.561 40 0 HHABLO CCCOc1ccccc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365359 568819796 /nfs/dbraw/zinc/81/97/96/568819796.db2.gz ROMNRCWIZHGPNT-OAQYLSRUSA-O 1 2 423.518 3.561 40 0 HHABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccccc5)CCO4)nnn3c2)cc1 ZINC000306129284 568891933 /nfs/dbraw/zinc/89/19/33/568891933.db2.gz HZHLVBXZKZHEOO-QHCPKHFHSA-N 1 2 400.482 3.978 40 0 HHABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)nnn3c2)cc1 ZINC000306129284 568891934 /nfs/dbraw/zinc/89/19/34/568891934.db2.gz HZHLVBXZKZHEOO-QHCPKHFHSA-N 1 2 400.482 3.978 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC000306140262 568902187 /nfs/dbraw/zinc/90/21/87/568902187.db2.gz UOFOFPGTCDMVPU-WIYYLYMNSA-N 1 2 412.461 3.782 40 0 HHABLO O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000306140262 568902188 /nfs/dbraw/zinc/90/21/88/568902188.db2.gz UOFOFPGTCDMVPU-WIYYLYMNSA-N 1 2 412.461 3.782 40 0 HHABLO CCNc1nc(NCc2ccccc2OC)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328958484 568969832 /nfs/dbraw/zinc/96/98/32/568969832.db2.gz APGXZOCDKYGGIM-UHFFFAOYSA-N 1 2 418.419 3.939 40 0 HHABLO OCCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328985379 568971312 /nfs/dbraw/zinc/97/13/12/568971312.db2.gz HTHNPCLJJNINOF-UHFFFAOYSA-N 1 2 424.810 3.687 40 0 HHABLO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000008041056 569339234 /nfs/dbraw/zinc/33/92/34/569339234.db2.gz XSCKMAVMHDPQHJ-LJQANCHMSA-N 1 2 416.905 3.571 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693662 569346497 /nfs/dbraw/zinc/34/64/97/569346497.db2.gz KYSFKROGSLXZKG-XMMPIXPASA-N 1 2 417.509 3.738 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693662 569346498 /nfs/dbraw/zinc/34/64/98/569346498.db2.gz KYSFKROGSLXZKG-XMMPIXPASA-N 1 2 417.509 3.738 40 0 HHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(C)ccc1C ZINC000261362304 569413429 /nfs/dbraw/zinc/41/34/29/569413429.db2.gz CSSMWKSZTHNFLF-NRFANRHFSA-O 1 2 407.519 3.779 40 0 HHABLO Cc1ccc(CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508700 524642261 /nfs/dbraw/zinc/64/22/61/524642261.db2.gz XHDXFALXXBLLDL-RBUKOAKNSA-N 1 2 420.987 3.919 40 0 HHABLO COc1ccc(S[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000044947687 525112126 /nfs/dbraw/zinc/11/21/26/525112126.db2.gz WNLATRLSPOQNAO-QGZVFWFLSA-N 1 2 400.544 3.529 40 0 HHABLO O=S1(=O)C[C@H]2[C@@H](C1)[NH+]=C(SCc1cccc(F)c1)N2Cc1ccc(Cl)cc1 ZINC000032508605 527315997 /nfs/dbraw/zinc/31/59/97/527315997.db2.gz BYIDXOSCICTHRH-MSOLQXFVSA-N 1 2 424.950 3.750 40 0 HHABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000408702319 557726491 /nfs/dbraw/zinc/72/64/91/557726491.db2.gz BESPYEXDDKKKQC-OAQYLSRUSA-N 1 2 403.486 3.991 40 0 HHABLO Cc1nc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741659 558262245 /nfs/dbraw/zinc/26/22/45/558262245.db2.gz IUDOANOMIUCYEM-IBGZPJMESA-N 1 2 422.577 3.747 40 0 HHABLO Cc1nc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741659 558262246 /nfs/dbraw/zinc/26/22/46/558262246.db2.gz IUDOANOMIUCYEM-IBGZPJMESA-N 1 2 422.577 3.747 40 0 HHABLO Cc1nc([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019741659 558262247 /nfs/dbraw/zinc/26/22/47/558262247.db2.gz IUDOANOMIUCYEM-IBGZPJMESA-N 1 2 422.577 3.747 40 0 HHABLO Cc1nc(-c2cccnc2)sc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022237589 558471282 /nfs/dbraw/zinc/47/12/82/558471282.db2.gz GIOPENRQMMVJPQ-RMKNXTFCSA-N 1 2 404.539 3.985 40 0 HHABLO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022528244 558496242 /nfs/dbraw/zinc/49/62/42/558496242.db2.gz UZMZDSKSGJFSOB-OAQYLSRUSA-N 1 2 410.514 3.534 40 0 HHABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)NCC1(c2ccccc2F)CCOCC1 ZINC000019125222 558844403 /nfs/dbraw/zinc/84/44/03/558844403.db2.gz CVBBZQQRWXMDBN-UHFFFAOYSA-N 1 2 409.505 3.965 40 0 HHABLO Cc1nc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240394 558859064 /nfs/dbraw/zinc/85/90/64/558859064.db2.gz OSSVXKXMBXUIST-SJCJKPOMSA-N 1 2 400.552 3.578 40 0 HHABLO COc1ccc(N(Cc2cccnc2)C(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019556229 558918709 /nfs/dbraw/zinc/91/87/09/558918709.db2.gz UVVIFVRPUATBHC-UHFFFAOYSA-N 1 2 417.509 3.769 40 0 HHABLO COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000019581517 558937207 /nfs/dbraw/zinc/93/72/07/558937207.db2.gz SOYWDOWPVDQDAR-FCHUYYIVSA-N 1 2 424.932 3.849 40 0 HHABLO CC(=O)NC1(c2ccccc2)CC[NH+](CC(=O)Nc2nc3ccc(C)cc3s2)CC1 ZINC000019657966 558949796 /nfs/dbraw/zinc/94/97/96/558949796.db2.gz LCJVYFWHRVXELG-UHFFFAOYSA-N 1 2 422.554 3.671 40 0 HHABLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2[nH+]cccc2C)cn1 ZINC000072353176 558950020 /nfs/dbraw/zinc/95/00/20/558950020.db2.gz FSWPCTCFYINDJJ-SFHVURJKSA-N 1 2 413.503 3.659 40 0 HHABLO O=C(C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1nnc(C2CCC2)s1 ZINC000019658428 558950526 /nfs/dbraw/zinc/95/05/26/558950526.db2.gz QCZLFBJSXQRKPX-AWEZNQCLSA-N 1 2 410.547 3.575 40 0 HHABLO O=C(C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1nnc(C2CCC2)s1 ZINC000019658428 558950527 /nfs/dbraw/zinc/95/05/27/558950527.db2.gz QCZLFBJSXQRKPX-AWEZNQCLSA-N 1 2 410.547 3.575 40 0 HHABLO CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Cc3ccccc3)cc(C)[nH+]2)C1 ZINC000072353888 558951123 /nfs/dbraw/zinc/95/11/23/558951123.db2.gz BWSQDGRLMWEKBC-NRFANRHFSA-N 1 2 401.576 3.747 40 0 HHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072379171 558968075 /nfs/dbraw/zinc/96/80/75/558968075.db2.gz IZRLHTSCDHOHAL-INIZCTEOSA-N 1 2 414.506 3.537 40 0 HHABLO Cc1ccc([C@H](CNC(=O)C2(c3cccc(C)c3)CCOCC2)[NH+]2CCOCC2)cc1 ZINC000019717673 558980488 /nfs/dbraw/zinc/98/04/88/558980488.db2.gz RRFFCAJVCOZZNC-DEOSSOPVSA-N 1 2 422.569 3.541 40 0 HHABLO Cc1ccc2occ(C[N@H+]3CCc4c(nc(N5CCCC[C@H]5C)[nH]c4=O)C3)c(=O)c2c1 ZINC000257208218 558988990 /nfs/dbraw/zinc/98/89/90/558988990.db2.gz BLEPUDJPLSAOGB-MRXNPFEDSA-N 1 2 420.513 3.534 40 0 HHABLO Cc1ccc2occ(C[N@@H+]3CCc4c(nc(N5CCCC[C@H]5C)[nH]c4=O)C3)c(=O)c2c1 ZINC000257208218 558988993 /nfs/dbraw/zinc/98/89/93/558988993.db2.gz BLEPUDJPLSAOGB-MRXNPFEDSA-N 1 2 420.513 3.534 40 0 HHABLO Cc1cc(C)cc(C(=O)N2C[C@@]3(C[C@@H]2c2cn(C)c[nH+]2)CCCN(CC2CC2)C3=O)c1 ZINC000585106480 559028820 /nfs/dbraw/zinc/02/88/20/559028820.db2.gz SLUHZSWSOGQCFK-RDGATRHJSA-N 1 2 420.557 3.643 40 0 HHABLO COc1cccc(-c2cccc3c([C@H]4CN(Cc5ccncc5)CCO4)[nH+]cn32)c1 ZINC000096155871 559100005 /nfs/dbraw/zinc/10/00/05/559100005.db2.gz RHTMNXUXXALTFO-HSZRJFAPSA-N 1 2 400.482 3.978 40 0 HHABLO Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)Cn4c(C)[nH+]c5ccccc54)CC3)n2n1 ZINC000100159407 559131358 /nfs/dbraw/zinc/13/13/58/559131358.db2.gz WBBMRJSKMAFOCN-KDURUIRLSA-N 1 2 416.529 3.786 40 0 HHABLO COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cc1 ZINC000514289037 560033496 /nfs/dbraw/zinc/03/34/96/560033496.db2.gz MLFTWGVCVKRXDY-IRXDYDNUSA-N 1 2 411.477 3.866 40 0 biogenic,in-vitro HHABLO COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3[nH]c4ccc(F)cc4[nH+]3)C2)cc1 ZINC000514289037 560033497 /nfs/dbraw/zinc/03/34/97/560033497.db2.gz MLFTWGVCVKRXDY-IRXDYDNUSA-N 1 2 411.477 3.866 40 0 biogenic,in-vitro HHABLO Cc1cc(OCC[NH+]2CCOCC2)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NC(C)(C)C)C2 ZINC000020504625 560093670 /nfs/dbraw/zinc/09/36/70/560093670.db2.gz ZCVPAQYSEGWOCC-AZUAARDMSA-N 1 2 416.606 3.670 40 0 biogenic,in-vitro HHABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCC3)c(=O)[nH]c2cc1C ZINC000000893784 560543520 /nfs/dbraw/zinc/54/35/20/560543520.db2.gz IIZNOTRQBSRIGS-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000000894460 560543615 /nfs/dbraw/zinc/54/36/15/560543615.db2.gz BYUSAEFVDPLTDJ-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCCCC1 ZINC000000909819 560546000 /nfs/dbraw/zinc/54/60/00/560546000.db2.gz VOPUBGQOXGACCN-FQEVSTJZSA-N 1 2 408.550 3.852 40 0 HHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[NH+]1CCCCC1 ZINC000000910264 560546236 /nfs/dbraw/zinc/54/62/36/560546236.db2.gz QSYGAODJIWLGFK-FQEVSTJZSA-N 1 2 408.550 3.852 40 0 HHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000000926691 560557010 /nfs/dbraw/zinc/55/70/10/560557010.db2.gz QMEJGBPXGYMMAT-UHFFFAOYSA-N 1 2 408.550 3.831 40 0 HHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C(C)(C)C)C3CCCC3)cc2c1 ZINC000000926691 560557012 /nfs/dbraw/zinc/55/70/12/560557012.db2.gz QMEJGBPXGYMMAT-UHFFFAOYSA-N 1 2 408.550 3.831 40 0 HHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000004160273 560601249 /nfs/dbraw/zinc/60/12/49/560601249.db2.gz YVVIEIJUWGNPIF-BTYIYWSLSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c12 ZINC000004160273 560601250 /nfs/dbraw/zinc/60/12/50/560601250.db2.gz YVVIEIJUWGNPIF-BTYIYWSLSA-N 1 2 406.534 3.759 40 0 HHABLO COc1ccc(OC)c([C@H](c2nnnn2CCc2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000004847712 560609496 /nfs/dbraw/zinc/60/94/96/560609496.db2.gz NUFOUTAGCSXCSM-HSZRJFAPSA-N 1 2 421.545 3.754 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005595850 560738120 /nfs/dbraw/zinc/73/81/20/560738120.db2.gz UKRJEPMGWHXYOU-IIBYNOLFSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005595850 560738121 /nfs/dbraw/zinc/73/81/21/560738121.db2.gz UKRJEPMGWHXYOU-IIBYNOLFSA-N 1 2 406.534 3.759 40 0 HHABLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000019894390 560876907 /nfs/dbraw/zinc/87/69/07/560876907.db2.gz WDITWKDAIBAXOL-AWEZNQCLSA-N 1 2 424.492 3.807 40 0 HHABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000005206092 568442555 /nfs/dbraw/zinc/44/25/55/568442555.db2.gz ZJJGWZQWROXYET-MHTWAQMVSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 ZINC000005206092 568442556 /nfs/dbraw/zinc/44/25/56/568442556.db2.gz ZJJGWZQWROXYET-MHTWAQMVSA-N 1 2 422.912 3.792 40 0 HHABLO CC[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671817 568493681 /nfs/dbraw/zinc/49/36/81/568493681.db2.gz CJMMNIXFODJYHC-JOCHJYFZSA-N 1 2 404.562 3.806 40 0 HHABLO Cc1nc(N)cc(C2(C)CCN(C(=O)c3ccnc(Oc4ccccc4F)c3)CC2)[nH+]1 ZINC000257206848 568778058 /nfs/dbraw/zinc/77/80/58/568778058.db2.gz BFCOCBUNUNRZGU-UHFFFAOYSA-N 1 2 421.476 3.888 40 0 HHABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257256532 568792123 /nfs/dbraw/zinc/79/21/23/568792123.db2.gz KLWNBJRTUFVZAY-DEOSSOPVSA-N 1 2 407.514 3.922 40 0 HHABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccccc3)n[nH]2)C1 ZINC000257256532 568792124 /nfs/dbraw/zinc/79/21/24/568792124.db2.gz KLWNBJRTUFVZAY-DEOSSOPVSA-N 1 2 407.514 3.922 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@]3(CCCO3)[C@H](OC)C1)oc1ccccc12 ZINC000257272744 568796370 /nfs/dbraw/zinc/79/63/70/568796370.db2.gz NDRGQHQJIZLHOX-ISKFKSNPSA-N 1 2 424.497 3.803 40 0 HHABLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@]3(CCCO3)[C@H](OC)C1)oc1ccccc12 ZINC000257272744 568796371 /nfs/dbraw/zinc/79/63/71/568796371.db2.gz NDRGQHQJIZLHOX-ISKFKSNPSA-N 1 2 424.497 3.803 40 0 HHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2cccc3ccccc32)CC[C@@H]1Oc1cccc(F)c1 ZINC000257277114 568797482 /nfs/dbraw/zinc/79/74/82/568797482.db2.gz NWMTWVFZHABVLY-UPVQGACJSA-N 1 2 408.473 3.822 40 0 HHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2cccc3ccccc32)CC[C@@H]1Oc1cccc(F)c1 ZINC000257277114 568797484 /nfs/dbraw/zinc/79/74/84/568797484.db2.gz NWMTWVFZHABVLY-UPVQGACJSA-N 1 2 408.473 3.822 40 0 HHABLO COc1ccc([C@@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CC[N@@H+]2C)cc1 ZINC000257276608 568797523 /nfs/dbraw/zinc/79/75/23/568797523.db2.gz NULXNUVOLAOPFQ-QHCPKHFHSA-N 1 2 408.542 3.567 40 0 HHABLO COc1ccc([C@@H]2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CC[N@H+]2C)cc1 ZINC000257276608 568797526 /nfs/dbraw/zinc/79/75/26/568797526.db2.gz NULXNUVOLAOPFQ-QHCPKHFHSA-N 1 2 408.542 3.567 40 0 HHABLO CCCCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 ZINC000257287638 568800800 /nfs/dbraw/zinc/80/08/00/568800800.db2.gz PQWJZSDCKXTLJH-UPVQGACJSA-N 1 2 412.530 3.708 40 0 HHABLO CCCCOc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 ZINC000257287638 568800802 /nfs/dbraw/zinc/80/08/02/568800802.db2.gz PQWJZSDCKXTLJH-UPVQGACJSA-N 1 2 412.530 3.708 40 0 HHABLO Cc1ccc2c(CC(=O)N3CC[C@@H](c4n[nH]cc4-c4cc[nH+]c(N)c4)C3)coc2c1C ZINC000257290126 568801392 /nfs/dbraw/zinc/80/13/92/568801392.db2.gz QBROHCDHBQJVCN-QGZVFWFLSA-N 1 2 415.497 3.976 40 0 HHABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 ZINC000257299387 568804272 /nfs/dbraw/zinc/80/42/72/568804272.db2.gz RPVUVZPRKKIBNM-OAQYLSRUSA-N 1 2 416.447 3.998 40 0 HHABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)cn1 ZINC000257299387 568804273 /nfs/dbraw/zinc/80/42/73/568804273.db2.gz RPVUVZPRKKIBNM-OAQYLSRUSA-N 1 2 416.447 3.998 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(F)cccc1Cl ZINC000261362746 568819337 /nfs/dbraw/zinc/81/93/37/568819337.db2.gz DYKNEDCKUVSVQN-GOSISDBHSA-O 1 2 417.873 3.565 40 0 HHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1sccc1C ZINC000261362016 568819367 /nfs/dbraw/zinc/81/93/67/568819367.db2.gz BUFXXUVUMLWUBB-IBGZPJMESA-O 1 2 413.548 3.922 40 0 HHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Cl)cc1 ZINC000261364900 568819517 /nfs/dbraw/zinc/81/95/17/568819517.db2.gz OOWQHFKGXWOBPG-LJQANCHMSA-O 1 2 413.910 3.816 40 0 HHABLO c1c([C@H]2CN(Cc3cccnc3)CC[N@H+]2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306123181 568886374 /nfs/dbraw/zinc/88/63/74/568886374.db2.gz AGNRYBOSYYVWNB-HSZRJFAPSA-N 1 2 416.573 3.598 40 0 HHABLO c1c([C@H]2CN(Cc3cccnc3)CC[N@@H+]2CC2CC2)nc2cccc(N3CCCC3)n12 ZINC000306123181 568886376 /nfs/dbraw/zinc/88/63/76/568886376.db2.gz AGNRYBOSYYVWNB-HSZRJFAPSA-N 1 2 416.573 3.598 40 0 HHABLO Clc1cccc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)c1 ZINC000306128733 568891454 /nfs/dbraw/zinc/89/14/54/568891454.db2.gz HJEVKXIODGKCKI-UHFFFAOYSA-N 1 2 404.905 3.767 40 0 HHABLO CC(C)n1cc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306144717 568906140 /nfs/dbraw/zinc/90/61/40/568906140.db2.gz ZMVWOIITISHXLL-HSZRJFAPSA-N 1 2 415.545 3.662 40 0 HHABLO CC(C)n1cc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306144717 568906143 /nfs/dbraw/zinc/90/61/43/568906143.db2.gz ZMVWOIITISHXLL-HSZRJFAPSA-N 1 2 415.545 3.662 40 0 HHABLO O=C(C[N@@H+]1CC[C@@H](c2cc(COc3ccccc3F)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000019738943 569348642 /nfs/dbraw/zinc/34/86/42/569348642.db2.gz LZOXLVYCUZJGJC-OAHLLOKOSA-N 1 2 412.440 3.695 40 0 HHABLO O=C(C[N@H+]1CC[C@@H](c2cc(COc3ccccc3F)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000019738943 569348643 /nfs/dbraw/zinc/34/86/43/569348643.db2.gz LZOXLVYCUZJGJC-OAHLLOKOSA-N 1 2 412.440 3.695 40 0 HHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(C)[nH]c2ccccc21 ZINC000261365371 569413719 /nfs/dbraw/zinc/41/37/19/569413719.db2.gz RQSVPBOFBTVFHY-OAQYLSRUSA-O 1 2 418.502 3.562 40 0 HHABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C3)CC1 ZINC000012182755 132356056 /nfs/dbraw/zinc/35/60/56/132356056.db2.gz HUZGNMBTAKEDEP-UHFFFAOYSA-N 1 2 406.452 3.583 40 0 HHABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C3)CC1 ZINC000012182755 132356059 /nfs/dbraw/zinc/35/60/59/132356059.db2.gz HUZGNMBTAKEDEP-UHFFFAOYSA-N 1 2 406.452 3.583 40 0 HHABLO Cc1ccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)cc1 ZINC000032508697 524639743 /nfs/dbraw/zinc/63/97/43/524639743.db2.gz XHDXFALXXBLLDL-MOPGFXCFSA-N 1 2 420.987 3.919 40 0 HHABLO Cc1ccccc1CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 ZINC000032508737 525182407 /nfs/dbraw/zinc/18/24/07/525182407.db2.gz LPQQPGAMWKHYPU-MOPGFXCFSA-N 1 2 420.987 3.919 40 0 HHABLO CNC(=O)c1cc([C@@H]2C[N@H+](Cc3cccc(OC(C)C)c3)CCO2)nc2ccccc21 ZINC000019762769 558277192 /nfs/dbraw/zinc/27/71/92/558277192.db2.gz QTBOPEXQRSUWAL-DEOSSOPVSA-N 1 2 419.525 3.955 40 0 HHABLO CNC(=O)c1cc([C@@H]2C[N@@H+](Cc3cccc(OC(C)C)c3)CCO2)nc2ccccc21 ZINC000019762769 558277194 /nfs/dbraw/zinc/27/71/94/558277194.db2.gz QTBOPEXQRSUWAL-DEOSSOPVSA-N 1 2 419.525 3.955 40 0 HHABLO CCOc1ccc([C@H](C)NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OCC ZINC000019931820 558310527 /nfs/dbraw/zinc/31/05/27/558310527.db2.gz KOUXVELPEOPQRW-SFHVURJKSA-N 1 2 412.530 3.807 40 0 HHABLO COC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020098146 558331738 /nfs/dbraw/zinc/33/17/38/558331738.db2.gz JTKBDFHJBRBLSV-UHFFFAOYSA-N 1 2 403.935 3.641 40 0 HHABLO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccncc2)cc1CO ZINC000012363847 558387533 /nfs/dbraw/zinc/38/75/33/558387533.db2.gz MMDBKWLQJIIHNB-VWLOTQADSA-N 1 2 420.509 3.747 40 0 HHABLO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccncc2)cc1CO ZINC000012363847 558387534 /nfs/dbraw/zinc/38/75/34/558387534.db2.gz MMDBKWLQJIIHNB-VWLOTQADSA-N 1 2 420.509 3.747 40 0 HHABLO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000022522357 558494922 /nfs/dbraw/zinc/49/49/22/558494922.db2.gz WSAOEMUPXYPNGC-UHFFFAOYSA-N 1 2 402.878 3.601 40 0 HHABLO Cc1ccc([C@H]([NH2+]Cc2c(C)nc(N3CCCCC3)[nH]c2=O)c2cccnc2)cc1 ZINC000019136774 558846375 /nfs/dbraw/zinc/84/63/75/558846375.db2.gz BVWMMUMHKLKCMQ-QFIPXVFZSA-N 1 2 403.530 3.651 40 0 HHABLO Cc1cccnc1C[NH+]1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000019237812 558856978 /nfs/dbraw/zinc/85/69/78/558856978.db2.gz TTYYBEDJTVOZRQ-UHFFFAOYSA-N 1 2 423.520 3.958 40 0 HHABLO COc1cc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)ccc1OC(C)C ZINC000019240311 558858807 /nfs/dbraw/zinc/85/88/07/558858807.db2.gz CYONHFNNTDUNOL-UHFFFAOYSA-N 1 2 413.543 3.621 40 0 HHABLO COc1cc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)ccc1OC(C)C ZINC000019240311 558858809 /nfs/dbraw/zinc/85/88/09/558858809.db2.gz CYONHFNNTDUNOL-UHFFFAOYSA-N 1 2 413.543 3.621 40 0 HHABLO Cn1ccnc1[C@H](NC(=O)CCn1cc[nH+]c1-c1ccccc1)c1ccc(F)cc1 ZINC000019291198 558863573 /nfs/dbraw/zinc/86/35/73/558863573.db2.gz XIMCRJVLBBIIII-OAQYLSRUSA-N 1 2 403.461 3.719 40 0 HHABLO COc1cccc([C@@H](NC(=O)c2cc(-c3ccc(F)cc3)on2)c2[nH+]ccn2C)c1 ZINC000019291233 558863650 /nfs/dbraw/zinc/86/36/50/558863650.db2.gz BNYBHALVGPPKPZ-HXUWFJFHSA-N 1 2 406.417 3.742 40 0 HHABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cccn1-c1ccccc1Cl)C2 ZINC000019368483 558877487 /nfs/dbraw/zinc/87/74/87/558877487.db2.gz KBGOWUXPUGVHAX-UHFFFAOYSA-N 1 2 417.900 3.834 40 0 HHABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cccn1-c1ccccc1Cl)C2 ZINC000019368483 558877489 /nfs/dbraw/zinc/87/74/89/558877489.db2.gz KBGOWUXPUGVHAX-UHFFFAOYSA-N 1 2 417.900 3.834 40 0 HHABLO O=C([C@H](Cc1ccc(F)cc1)c1ccccc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000019369460 558877967 /nfs/dbraw/zinc/87/79/67/558877967.db2.gz ZXLJAQLFVHEZLL-DNQXCXABSA-N 1 2 410.533 3.865 40 0 HHABLO COc1cccc(OC)c1C[N@@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019567086 558926530 /nfs/dbraw/zinc/92/65/30/558926530.db2.gz GWHRBWXSKGZPKH-LJQANCHMSA-N 1 2 406.486 3.989 40 0 HHABLO COc1cccc(OC)c1C[N@H+]1CCCC[C@@H]1c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019567086 558926531 /nfs/dbraw/zinc/92/65/31/558926531.db2.gz GWHRBWXSKGZPKH-LJQANCHMSA-N 1 2 406.486 3.989 40 0 HHABLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347830 558945065 /nfs/dbraw/zinc/94/50/65/558945065.db2.gz ZJIZXEQZVJTJIK-XIRDDKMYSA-N 1 2 405.926 3.580 40 0 HHABLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347830 558945067 /nfs/dbraw/zinc/94/50/67/558945067.db2.gz ZJIZXEQZVJTJIK-XIRDDKMYSA-N 1 2 405.926 3.580 40 0 HHABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)cc1 ZINC000072376250 558965336 /nfs/dbraw/zinc/96/53/36/558965336.db2.gz WUHZAFFYXRFNHR-HXUWFJFHSA-N 1 2 418.501 3.708 40 0 HHABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)cc1 ZINC000072376250 558965338 /nfs/dbraw/zinc/96/53/38/558965338.db2.gz WUHZAFFYXRFNHR-HXUWFJFHSA-N 1 2 418.501 3.708 40 0 HHABLO CCCN1CC[N@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183559 559070430 /nfs/dbraw/zinc/07/04/30/559070430.db2.gz APVNZYMCKUXZOU-QFIPXVFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CC[N@@H+](Cc2c[nH]cn2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183559 559070432 /nfs/dbraw/zinc/07/04/32/559070432.db2.gz APVNZYMCKUXZOU-QFIPXVFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CC[N@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183559 559070434 /nfs/dbraw/zinc/07/04/34/559070434.db2.gz APVNZYMCKUXZOU-QFIPXVFZSA-N 1 2 402.542 3.990 40 0 HHABLO CCCN1CC[N@@H+](Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183559 559070436 /nfs/dbraw/zinc/07/04/36/559070436.db2.gz APVNZYMCKUXZOU-QFIPXVFZSA-N 1 2 402.542 3.990 40 0 HHABLO Cc1nc(Nc2cc([C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)sc1C ZINC000585291127 559123643 /nfs/dbraw/zinc/12/36/43/559123643.db2.gz LGBPZKNZKRVTJQ-FYCOFBDGSA-N 1 2 423.546 3.744 40 0 HHABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000408960398 560657966 /nfs/dbraw/zinc/65/79/66/560657966.db2.gz LKKLPRIOALCQOX-STZFKDTASA-N 1 2 404.445 3.775 40 0 HHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000202794284 560737041 /nfs/dbraw/zinc/73/70/41/560737041.db2.gz AOBNFHJTPHGWFG-IIBYNOLFSA-N 1 2 406.534 3.759 40 0 HHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000202794284 560737043 /nfs/dbraw/zinc/73/70/43/560737043.db2.gz AOBNFHJTPHGWFG-IIBYNOLFSA-N 1 2 406.534 3.759 40 0 HHABLO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057671868 568493619 /nfs/dbraw/zinc/49/36/19/568493619.db2.gz URCRCEFHRUHWOJ-JOCHJYFZSA-N 1 2 408.525 3.574 40 0 HHABLO CCCC[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057671217 568495144 /nfs/dbraw/zinc/49/51/44/568495144.db2.gz SJCPZAAJGWNIPB-OAQYLSRUSA-N 1 2 408.550 3.985 40 0 HHABLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1Br ZINC000057720158 568496134 /nfs/dbraw/zinc/49/61/34/568496134.db2.gz ZFTNAEPPFFIZFC-UHFFFAOYSA-N 1 2 406.299 3.657 40 0 HHABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000219858866 568499246 /nfs/dbraw/zinc/49/92/46/568499246.db2.gz NRQWWFNGIDKKHF-OAQYLSRUSA-N 1 2 421.541 3.759 40 0 HHABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)c1 ZINC000101224047 568502017 /nfs/dbraw/zinc/50/20/17/568502017.db2.gz LKISCTNMRXYASH-NCYKPQTJSA-N 1 2 422.912 3.792 40 0 HHABLO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(Cl)cc2)c1 ZINC000101224047 568502019 /nfs/dbraw/zinc/50/20/19/568502019.db2.gz LKISCTNMRXYASH-NCYKPQTJSA-N 1 2 422.912 3.792 40 0 HHABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000223894206 568562240 /nfs/dbraw/zinc/56/22/40/568562240.db2.gz KKKDGTALEVJKAY-UHFFFAOYSA-N 1 2 408.980 3.505 40 0 HHABLO S=C(NCC[NH+]1CCOCC1)Nc1cccnc1Sc1ccc(Cl)cc1 ZINC000225192163 568621496 /nfs/dbraw/zinc/62/14/96/568621496.db2.gz CTQOETRXOHVHOF-UHFFFAOYSA-N 1 2 408.980 3.505 40 0 HHABLO COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000225454241 568639366 /nfs/dbraw/zinc/63/93/66/568639366.db2.gz BCYNVKCNINHBDX-UHFFFAOYSA-N 1 2 400.891 3.799 40 0 HHABLO Cc1cc(C)cc(OC[C@H](C)Nc2cc(-c3c4c(nn3C)CCCC4)[nH+]c(N)n2)c1 ZINC000257205466 568777663 /nfs/dbraw/zinc/77/76/63/568777663.db2.gz AZESUEPBMNUFKD-INIZCTEOSA-N 1 2 406.534 3.834 40 0 HHABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257210071 568779126 /nfs/dbraw/zinc/77/91/26/568779126.db2.gz BTAPEXPXMUJNFY-RUZDIDTESA-N 1 2 401.510 3.898 40 0 HHABLO CNC(=O)[C@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257210071 568779128 /nfs/dbraw/zinc/77/91/28/568779128.db2.gz BTAPEXPXMUJNFY-RUZDIDTESA-N 1 2 401.510 3.898 40 0 HHABLO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257220686 568782091 /nfs/dbraw/zinc/78/20/91/568782091.db2.gz DLSLPUYBGDCOHY-UNMCSNQZSA-N 1 2 402.922 3.745 40 0 HHABLO CCc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(Cl)c2)C1 ZINC000257220686 568782092 /nfs/dbraw/zinc/78/20/92/568782092.db2.gz DLSLPUYBGDCOHY-UNMCSNQZSA-N 1 2 402.922 3.745 40 0 HHABLO C[N@H+](CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1)Cc1cccnc1 ZINC000257223258 568783011 /nfs/dbraw/zinc/78/30/11/568783011.db2.gz DWOSAKLIHNVCMJ-QFIPXVFZSA-N 1 2 404.514 3.846 40 0 HHABLO C[N@@H+](CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1)Cc1cccnc1 ZINC000257223258 568783013 /nfs/dbraw/zinc/78/30/13/568783013.db2.gz DWOSAKLIHNVCMJ-QFIPXVFZSA-N 1 2 404.514 3.846 40 0 HHABLO Cc1cc(OCC(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c2cccc(C)c2[nH+]1 ZINC000257280190 568798486 /nfs/dbraw/zinc/79/84/86/568798486.db2.gz OJWNURZOKLFVHZ-DHLKQENFSA-N 1 2 420.509 3.661 40 0 HHABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cc1 ZINC000306145152 568906559 /nfs/dbraw/zinc/90/65/59/568906559.db2.gz ZZRUDUSQVPJOBN-HSZRJFAPSA-N 1 2 400.482 3.978 40 0 HHABLO COc1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccccc5)ccc34)C2)cc1 ZINC000306145152 568906561 /nfs/dbraw/zinc/90/65/61/568906561.db2.gz ZZRUDUSQVPJOBN-HSZRJFAPSA-N 1 2 400.482 3.978 40 0 HHABLO CC[C@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329006370 568972220 /nfs/dbraw/zinc/97/22/20/568972220.db2.gz LDNYFXUQSUECTJ-AWEZNQCLSA-N 1 2 412.335 3.967 40 0 HHABLO CC[C@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000329044947 568974340 /nfs/dbraw/zinc/97/43/40/568974340.db2.gz SZDCWVZMLQQZPF-AWEZNQCLSA-N 1 2 412.335 3.967 40 0 HHABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)s1 ZINC000019693041 569346289 /nfs/dbraw/zinc/34/62/89/569346289.db2.gz ACFDXIBSKCOCLF-LJQANCHMSA-N 1 2 413.522 3.687 40 0 HHABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)s1 ZINC000019693041 569346290 /nfs/dbraw/zinc/34/62/90/569346290.db2.gz ACFDXIBSKCOCLF-LJQANCHMSA-N 1 2 413.522 3.687 40 0 HHABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@H+](Cc3ccccc3F)CCO2)cc1 ZINC000019694906 569346639 /nfs/dbraw/zinc/34/66/39/569346639.db2.gz RDXCQJHTFMTIJR-QFIPXVFZSA-N 1 2 422.504 3.931 40 0 HHABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@@H+](Cc3ccccc3F)CCO2)cc1 ZINC000019694906 569346640 /nfs/dbraw/zinc/34/66/40/569346640.db2.gz RDXCQJHTFMTIJR-QFIPXVFZSA-N 1 2 422.504 3.931 40 0 HHABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccn1C ZINC000261365294 569413801 /nfs/dbraw/zinc/41/38/01/569413801.db2.gz REGSFAUVZCKGJC-OAQYLSRUSA-O 1 2 424.550 3.671 40 0 HHABLO O=C1N(C[N@@H+]2CCc3ccccc3C2)c2ccccc2C12O[C@@H]1CCCCC[C@@H]1O2 ZINC000019874399 569432860 /nfs/dbraw/zinc/43/28/60/569432860.db2.gz BVZPIBXMSLWZEV-HCGNOCCLSA-N 1 2 404.510 3.950 40 0 HHABLO O=C1N(C[N@H+]2CCc3ccccc3C2)c2ccccc2C12O[C@@H]1CCCCC[C@@H]1O2 ZINC000019874399 569432862 /nfs/dbraw/zinc/43/28/62/569432862.db2.gz BVZPIBXMSLWZEV-HCGNOCCLSA-N 1 2 404.510 3.950 40 0 HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)C3CCCCC3)n2)cc1 ZINC000015675964 291254335 /nfs/dbraw/zinc/25/43/35/291254335.db2.gz XNBPSULWICSAJN-IBGZPJMESA-N 1 2 407.474 3.675 40 0 biogenic,in-vitro HHABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)C3CCCCC3)n2)cc1 ZINC000015675964 291254337 /nfs/dbraw/zinc/25/43/37/291254337.db2.gz XNBPSULWICSAJN-IBGZPJMESA-N 1 2 407.474 3.675 40 0 biogenic,in-vitro HHABLO O=C(NC1CCCCC1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000015676284 291258885 /nfs/dbraw/zinc/25/88/85/291258885.db2.gz QQXFCPHCTXDBBT-IBGZPJMESA-N 1 2 406.452 3.804 40 0 biogenic,in-vitro HHABLO O=C(NC1CCCCC1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000015676284 291258889 /nfs/dbraw/zinc/25/88/89/291258889.db2.gz QQXFCPHCTXDBBT-IBGZPJMESA-N 1 2 406.452 3.804 40 0 biogenic,in-vitro HHABLO Cc1cccc(CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)c1 ZINC000032508761 524456744 /nfs/dbraw/zinc/45/67/44/524456744.db2.gz OHHXMJJMQJSFMW-MOPGFXCFSA-N 1 2 420.987 3.919 40 0 HHABLO C[C@@H]1S[C@]2(c3ccccc3N(C[NH+]3CCCCC3)C2=O)N(c2ccccc2)C1=O ZINC000001585158 557274104 /nfs/dbraw/zinc/27/41/04/557274104.db2.gz HAOMKHJWGUGOKJ-SBUREZEXSA-N 1 2 407.539 3.798 40 0 HHABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)s1 ZINC000019762256 558277172 /nfs/dbraw/zinc/27/71/72/558277172.db2.gz GZRJTQRMDUISPN-QFIPXVFZSA-N 1 2 424.570 3.959 40 0 HHABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cc(C(=O)NCC(C)C)c4ccccc4n3)C2)s1 ZINC000019762256 558277174 /nfs/dbraw/zinc/27/71/74/558277174.db2.gz GZRJTQRMDUISPN-QFIPXVFZSA-N 1 2 424.570 3.959 40 0 HHABLO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000022418555 558488303 /nfs/dbraw/zinc/48/83/03/558488303.db2.gz KTRKRIFYTBJTHJ-UHFFFAOYSA-N 1 2 403.935 3.607 40 0 HHABLO COc1ccc(-c2cc(C(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)nn2C)cc1 ZINC000036751884 558802495 /nfs/dbraw/zinc/80/24/95/558802495.db2.gz YPPREQQYNWKPHR-UHFFFAOYSA-N 1 2 403.486 3.561 40 0 HHABLO Cc1nc(C(F)(F)F)ccc1C(=O)N(C)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000036752291 558802829 /nfs/dbraw/zinc/80/28/29/558802829.db2.gz GYVGVKNKPBGLFY-GOSISDBHSA-N 1 2 407.436 3.554 40 0 HHABLO Cc1cc(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1CCCn1cc[nH+]c1 ZINC000016790280 558807234 /nfs/dbraw/zinc/80/72/34/558807234.db2.gz YLFSEJJTKVRJAN-UHFFFAOYSA-N 1 2 421.284 3.708 40 0 HHABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)Nc1ccccc1C(F)(F)F ZINC000019375110 558881478 /nfs/dbraw/zinc/88/14/78/558881478.db2.gz VERMVEGRRMIIMB-UHFFFAOYSA-N 1 2 402.376 3.736 40 0 HHABLO CCOc1cc(-c2nn3c(C[NH+](CC)CC)nnc3s2)cc(OCC)c1OCC ZINC000071260553 558896477 /nfs/dbraw/zinc/89/64/77/558896477.db2.gz LOSYKSJOQOEHLE-UHFFFAOYSA-N 1 2 419.551 3.891 40 0 HHABLO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000019500440 558898536 /nfs/dbraw/zinc/89/85/36/558898536.db2.gz LHPFWQPHMBVPCQ-FGZHOGPDSA-N 1 2 407.493 3.546 40 0 HHABLO CC[C@H](c1ccc(F)cc1)n1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)nn1 ZINC000019500440 558898538 /nfs/dbraw/zinc/89/85/38/558898538.db2.gz LHPFWQPHMBVPCQ-FGZHOGPDSA-N 1 2 407.493 3.546 40 0 HHABLO COc1cccc(C[N@@H+](Cc2c(C)nc3sccn23)C[C@@H]2CCCO2)c1OC ZINC000019555046 558917898 /nfs/dbraw/zinc/91/78/98/558917898.db2.gz ZJUXTSNCAIXYCG-KRWDZBQOSA-N 1 2 401.532 3.903 40 0 HHABLO COc1cccc(C[N@H+](Cc2c(C)nc3sccn23)C[C@@H]2CCCO2)c1OC ZINC000019555046 558917899 /nfs/dbraw/zinc/91/78/99/558917899.db2.gz ZJUXTSNCAIXYCG-KRWDZBQOSA-N 1 2 401.532 3.903 40 0 HHABLO Cc1noc2nc(C3CC[NH+](Cc4cnc(N(C)C)nc4)CC3)cc(C(F)F)c12 ZINC000019565106 558925332 /nfs/dbraw/zinc/92/53/32/558925332.db2.gz NDWQAHWOSDWXAH-UHFFFAOYSA-N 1 2 402.449 3.704 40 0 HHABLO CCOC(=O)C[NH+]1CCC(Oc2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 ZINC000072335983 558937166 /nfs/dbraw/zinc/93/71/66/558937166.db2.gz VXXRZRDIIVUXKS-UHFFFAOYSA-N 1 2 422.529 3.503 40 0 HHABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000072337604 558937769 /nfs/dbraw/zinc/93/77/69/558937769.db2.gz NRYMRNBEHKXITF-UWVAXJGDSA-N 1 2 406.530 3.528 40 0 HHABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@H+]1C[C@H](O)COc1ccccc1 ZINC000072337604 558937771 /nfs/dbraw/zinc/93/77/71/558937771.db2.gz NRYMRNBEHKXITF-UWVAXJGDSA-N 1 2 406.530 3.528 40 0 HHABLO COCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000019593710 558944924 /nfs/dbraw/zinc/94/49/24/558944924.db2.gz AJKPSUPWUIJUSM-OAQYLSRUSA-N 1 2 406.486 3.607 40 0 HHABLO COCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000019593710 558944926 /nfs/dbraw/zinc/94/49/26/558944926.db2.gz AJKPSUPWUIJUSM-OAQYLSRUSA-N 1 2 406.486 3.607 40 0 HHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@@H+]3Cc3cccnc3)nn2c1C ZINC000072351279 558947733 /nfs/dbraw/zinc/94/77/33/558947733.db2.gz BGANPUVPXHKXSG-QFIPXVFZSA-N 1 2 420.561 3.537 40 0 HHABLO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@H+]3Cc3cccnc3)nn2c1C ZINC000072351279 558947736 /nfs/dbraw/zinc/94/77/36/558947736.db2.gz BGANPUVPXHKXSG-QFIPXVFZSA-N 1 2 420.561 3.537 40 0 HHABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 ZINC000072353718 558950877 /nfs/dbraw/zinc/95/08/77/558950877.db2.gz YMGYKXVXZBFWKG-IBGZPJMESA-N 1 2 408.546 3.826 40 0 HHABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072355368 558952483 /nfs/dbraw/zinc/95/24/83/558952483.db2.gz JZFPDRKCOWFAEP-SFHVURJKSA-N 1 2 407.493 3.874 40 0 HHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)n1 ZINC000072378844 558967752 /nfs/dbraw/zinc/96/77/52/558967752.db2.gz SNHUNYXRPJEMJX-IBGZPJMESA-N 1 2 404.514 3.787 40 0 HHABLO C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104717 559027125 /nfs/dbraw/zinc/02/71/25/559027125.db2.gz RUXVBFQRVLCXGR-UZUQRXQVSA-N 1 2 400.469 3.777 40 0 HHABLO C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104717 559027127 /nfs/dbraw/zinc/02/71/27/559027127.db2.gz RUXVBFQRVLCXGR-UZUQRXQVSA-N 1 2 400.469 3.777 40 0 HHABLO COCc1ccc(C(=O)N2CCc3[nH+]cc(-c4ccccc4COC)n3CC2)cc1 ZINC000585111319 559031825 /nfs/dbraw/zinc/03/18/25/559031825.db2.gz OJCORNUTSIDKOX-UHFFFAOYSA-N 1 2 405.498 3.541 40 0 HHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC000100219583 559132241 /nfs/dbraw/zinc/13/22/41/559132241.db2.gz QDRZTEJONAZVRS-VQTJNVASSA-N 1 2 411.509 3.937 40 0 HHABLO Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC000100219583 559132243 /nfs/dbraw/zinc/13/22/43/559132243.db2.gz QDRZTEJONAZVRS-VQTJNVASSA-N 1 2 411.509 3.937 40 0 HHABLO CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4C[C@H]([NH+]5CC5)[C@H](C(C)=O)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000118913835 559205210 /nfs/dbraw/zinc/20/52/10/559205210.db2.gz WRCFYFRXAYMSAE-VKFOQVEHSA-N 1 2 415.574 3.639 40 0 in-vitro HHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCC3)cc2c1 ZINC000000889885 560542077 /nfs/dbraw/zinc/54/20/77/560542077.db2.gz SOSVRXDSZCUERM-OAQYLSRUSA-N 1 2 406.534 3.822 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160203 560601285 /nfs/dbraw/zinc/60/12/85/560601285.db2.gz UKRJEPMGWHXYOU-KKSFZXQISA-N 1 2 406.534 3.759 40 0 HHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160203 560601287 /nfs/dbraw/zinc/60/12/87/560601287.db2.gz UKRJEPMGWHXYOU-KKSFZXQISA-N 1 2 406.534 3.759 40 0 HHABLO CC[C@H](NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000219865786 568499544 /nfs/dbraw/zinc/49/95/44/568499544.db2.gz JPDKCDBBSWKUIM-QFIPXVFZSA-N 1 2 414.571 3.882 40 0 HHABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257210072 568779163 /nfs/dbraw/zinc/77/91/63/568779163.db2.gz BTAPEXPXMUJNFY-VWLOTQADSA-N 1 2 401.510 3.898 40 0 HHABLO CNC(=O)[C@@]1(c2ccccn2)CCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000257210072 568779164 /nfs/dbraw/zinc/77/91/64/568779164.db2.gz BTAPEXPXMUJNFY-VWLOTQADSA-N 1 2 401.510 3.898 40 0 HHABLO Cc1cccc(Nc2ccc([C@H]3CN(CC(=O)Nc4ccc(F)cc4)CCO3)nc2)[nH+]1 ZINC000257231747 568785264 /nfs/dbraw/zinc/78/52/64/568785264.db2.gz GIAKVIVUYXZFFI-OAQYLSRUSA-N 1 2 421.476 3.680 40 0 HHABLO CC(C)n1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306124448 568887482 /nfs/dbraw/zinc/88/74/82/568887482.db2.gz BPSBGFUUYJGFHQ-TZIWHRDSSA-N 1 2 413.568 3.948 40 0 HHABLO CC(C)n1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccsc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306124448 568887483 /nfs/dbraw/zinc/88/74/83/568887483.db2.gz BPSBGFUUYJGFHQ-TZIWHRDSSA-N 1 2 413.568 3.948 40 0 HHABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccc(Cl)o1)CCO2 ZINC000306125297 568888064 /nfs/dbraw/zinc/88/80/64/568888064.db2.gz CLMVITGJNGYQAP-KXBFYZLASA-N 1 2 409.939 3.642 40 0 HHABLO Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccc(Cl)o1)CCO2 ZINC000306125297 568888065 /nfs/dbraw/zinc/88/80/65/568888065.db2.gz CLMVITGJNGYQAP-KXBFYZLASA-N 1 2 409.939 3.642 40 0 HHABLO COc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)c1 ZINC000306126363 568889049 /nfs/dbraw/zinc/88/90/49/568889049.db2.gz DTKJXRQRAMPWGY-UNMCSNQZSA-N 1 2 424.497 3.652 40 0 HHABLO COc1cccc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)c1 ZINC000306126363 568889051 /nfs/dbraw/zinc/88/90/51/568889051.db2.gz DTKJXRQRAMPWGY-UNMCSNQZSA-N 1 2 424.497 3.652 40 0 HHABLO COc1ccc(C[N@@H+]2C[C@@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306126295 568889062 /nfs/dbraw/zinc/88/90/62/568889062.db2.gz DRZFOXFVFUDZRQ-FYYLOGMGSA-N 1 2 406.507 3.513 40 0 HHABLO COc1ccc(C[N@H+]2C[C@@H]3c4cc(-c5ccncc5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306126295 568889064 /nfs/dbraw/zinc/88/90/64/568889064.db2.gz DRZFOXFVFUDZRQ-FYYLOGMGSA-N 1 2 406.507 3.513 40 0 HHABLO Cc1cccc(C(=O)N2C[C@@H](c3cn(C(C)C)c[nH+]3)[C@]3(CCN(CC4CC4)C3=O)C2)c1 ZINC000306130262 568892720 /nfs/dbraw/zinc/89/27/20/568892720.db2.gz JAJFHEHJUODSFB-OFVILXPXSA-N 1 2 420.557 3.641 40 0 HHABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3ccsc3)C[C@@H]1S2(=O)=O ZINC000306141909 568903504 /nfs/dbraw/zinc/90/35/04/568903504.db2.gz WJTQCHFFQOJVEU-QUCCMNQESA-N 1 2 412.536 3.574 40 0 HHABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccsc3)C[C@@H]1S2(=O)=O ZINC000306141909 568903505 /nfs/dbraw/zinc/90/35/05/568903505.db2.gz WJTQCHFFQOJVEU-QUCCMNQESA-N 1 2 412.536 3.574 40 0 HHABLO COc1ccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)cc1COc1ccccc1Cl ZINC000008487728 568938298 /nfs/dbraw/zinc/93/82/98/568938298.db2.gz CLCRZXKUHZXWGH-UHFFFAOYSA-N 1 2 406.833 3.909 40 0 HHABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(=O)OC)c(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000329025764 568973481 /nfs/dbraw/zinc/97/34/81/568973481.db2.gz PIQHQZSJOCKUHL-OAHLLOKOSA-N 1 2 406.486 3.737 40 0 HHABLO CC[C@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000329035342 568973944 /nfs/dbraw/zinc/97/39/44/568973944.db2.gz RDTKKBGFYLAWAR-AWEZNQCLSA-N 1 2 412.335 3.967 40 0 HHABLO CN(C)c1nc(N(C)C)c(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c[nH+]1 ZINC000224141334 569052827 /nfs/dbraw/zinc/05/28/27/569052827.db2.gz DJZJQACYHQSJAB-UHFFFAOYSA-N 1 2 402.808 3.925 40 0 HHABLO