smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCCNC(=O)c3sc4ccc(OC)cc4c3C)CC2)cc1 ZINC001349004604 1066797808 /nfs/dbraw/zinc/79/78/08/1066797808.db2.gz LOMBEKHWBCHQCK-UHFFFAOYSA-N 1 0 453.608 4.169 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccc4oc(C(C)C)nc4c3)CC2)cc1 ZINC001200714431 1069367223 /nfs/dbraw/zinc/36/72/23/1069367223.db2.gz UDNCRUWANJZFPJ-UHFFFAOYSA-N 1 0 451.571 4.294 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001315512222 1064449985 /nfs/dbraw/zinc/44/99/85/1064449985.db2.gz KOAYSSBULQMVQR-GOTSBHOMSA-N 1 0 498.716 4.090 20 10 JICDRO CC[NH+](CC)C1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC001322589043 1067304027 /nfs/dbraw/zinc/30/40/27/1067304027.db2.gz KOXJHAPKSNRKMC-OBGWFSINSA-N 1 0 451.683 4.062 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)CCOc3cc(Cl)cc(Cl)c3)cc2F)CC1 ZINC001352959836 1067818710 /nfs/dbraw/zinc/81/87/10/1067818710.db2.gz IFCOOTMSCDCCGN-UHFFFAOYSA-N 1 0 454.373 4.360 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(-c4ccc(C)o4)n3CCC[N@H+](C)C(C)C)CC2)cc1 ZINC001300247186 1067978474 /nfs/dbraw/zinc/97/84/74/1067978474.db2.gz ISEZQJGDHIFVDF-UHFFFAOYSA-N 1 0 466.630 4.302 20 10 JICDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849511796 1069095693 /nfs/dbraw/zinc/09/56/93/1069095693.db2.gz UQSKRPUATXQKQW-FTJBHMTQSA-N 1 0 451.659 4.319 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC001315511427 1064447205 /nfs/dbraw/zinc/44/72/05/1064447205.db2.gz CBMXDCHNVPUJCI-SANMLTNESA-N 1 0 486.730 4.029 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(c4ccc(F)cc4)CCCCC3)CC2)cc1 ZINC001351458621 1067098015 /nfs/dbraw/zinc/09/80/15/1067098015.db2.gz VWHNAEZVHHPBKX-UHFFFAOYSA-N 1 0 453.602 4.365 20 10 JICDRO CN1CCN(c2ccc(C[NH2+]CC3(c4cccc(Br)c4)CCOCC3)cc2F)CC1 ZINC001318338658 1067022879 /nfs/dbraw/zinc/02/28/79/1067022879.db2.gz BWEZGPYBAPZJEW-UHFFFAOYSA-N 1 0 476.434 4.178 20 10 JICDRO CCC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001321654310 1067190917 /nfs/dbraw/zinc/19/09/17/1067190917.db2.gz QYWFMOSNBSTPLI-VWLOTQADSA-N 1 0 467.633 4.075 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)C3(c4cccc(F)c4)CCCCC3)CC2)cc1 ZINC001352409611 1067380636 /nfs/dbraw/zinc/38/06/36/1067380636.db2.gz MSGWSBIIOXGUDM-UHFFFAOYSA-N 1 0 453.602 4.365 20 10 JICDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(CSC4CCOCC4)c3)cc2)CC1 ZINC001200344513 1068160536 /nfs/dbraw/zinc/16/05/36/1068160536.db2.gz GSGKXRNTWSYFLL-UHFFFAOYSA-N 1 0 454.640 4.172 20 10 JICDRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001359416232 1069541201 /nfs/dbraw/zinc/54/12/01/1069541201.db2.gz ARWVYVZHACKBNO-QHCPKHFHSA-N 1 0 491.684 4.045 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@H]1C ZINC001316068883 1065708134 /nfs/dbraw/zinc/70/81/34/1065708134.db2.gz SBYLPBGUGRETAT-TZIWHRDSSA-N 1 0 450.631 4.166 20 10 JICDRO CCOC(=O)c1c(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)sc(C)c1-c1ccccc1 ZINC001338259319 1066541304 /nfs/dbraw/zinc/54/13/04/1066541304.db2.gz QBEXZMNGZFQRAM-LJQANCHMSA-N 1 0 483.634 4.219 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC(Nc4ccccc4Cl)CC3)CC2)cc1 ZINC001322292456 1067271538 /nfs/dbraw/zinc/27/15/38/1067271538.db2.gz KSFLMYRSBQAAEX-UHFFFAOYSA-N 1 0 486.060 4.147 20 10 JICDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC001322393970 1067285846 /nfs/dbraw/zinc/28/58/46/1067285846.db2.gz RQYHUXRYWCPXJV-VWLOTQADSA-N 1 0 451.014 4.466 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC001352409558 1067380559 /nfs/dbraw/zinc/38/05/59/1067380559.db2.gz MESQUORZDDJKBH-UHFFFAOYSA-N 1 0 455.908 4.310 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\c3ccc4cc(OC)ccc4c3)CC2)cc1 ZINC001356063618 1067648419 /nfs/dbraw/zinc/64/84/19/1067648419.db2.gz AGYWWYYFKPDUNU-ACAGNQJTSA-N 1 0 459.590 4.199 20 10 JICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC(=O)Nc2cccc(Cl)c2)C1 ZINC001357378730 1067841443 /nfs/dbraw/zinc/84/14/43/1067841443.db2.gz GEXVUCKPAYOIQK-UHFFFAOYSA-N 1 0 452.986 4.158 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(C(F)(F)F)c(F)c3C)CC2)cc1 ZINC001353707410 1068490100 /nfs/dbraw/zinc/49/01/00/1068490100.db2.gz QQTGGJMKUIECHH-UHFFFAOYSA-N 1 0 453.480 4.104 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)cc1F ZINC001315513490 1064455293 /nfs/dbraw/zinc/45/52/93/1064455293.db2.gz UWCHQJDDKPPMHS-NRFANRHFSA-N 1 0 486.661 4.414 20 10 JICDRO Cc1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)ccc1N1CC[NH+](C)CC1 ZINC001318195037 1066952301 /nfs/dbraw/zinc/95/23/01/1066952301.db2.gz RZMKQJCJAFDRLA-UHFFFAOYSA-N 1 0 473.568 4.139 20 10 JICDRO Fc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)ccc1N1CCN(c2ncccn2)CC1 ZINC001318367171 1067032996 /nfs/dbraw/zinc/03/29/96/1067032996.db2.gz JTKZCBNVRPDIES-UHFFFAOYSA-N 1 0 477.975 4.276 20 10 JICDRO CN1CCN(c2ccc(C[NH2+]CC3(c4cccc(C(F)(F)F)c4)CCOCC3)cc2F)CC1 ZINC001318419244 1067041073 /nfs/dbraw/zinc/04/10/73/1067041073.db2.gz XKCZYGCJWGAELJ-UHFFFAOYSA-N 1 0 465.535 4.434 20 10 JICDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000849063423 1067792950 /nfs/dbraw/zinc/79/29/50/1067792950.db2.gz FUKOSNPOXYZNCU-UHFFFAOYSA-N 1 0 461.589 4.204 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3csc(-c4ccc(OC)cc4)n3)cc2F)CC1 ZINC001352960392 1067818939 /nfs/dbraw/zinc/81/89/39/1067818939.db2.gz KNYRMJFMTADCEL-UHFFFAOYSA-N 1 0 454.571 4.030 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC001315512121 1064450015 /nfs/dbraw/zinc/45/00/15/1064450015.db2.gz JBHGXUNROPRTDB-QFIPXVFZSA-N 1 0 468.690 4.324 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(C4CCC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)cc1 ZINC001315512986 1064453580 /nfs/dbraw/zinc/45/35/80/1064453580.db2.gz RCWUXDDDZFYWMJ-HSZRJFAPSA-N 1 0 454.663 4.247 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/c3csc(C(F)(F)F)c3)CC2)cc1 ZINC001352410820 1067380901 /nfs/dbraw/zinc/38/09/01/1067380901.db2.gz UMSLENIUZLMQQZ-FPYGCLRLSA-N 1 0 453.530 4.117 20 10 JICDRO COc1cc(N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc(OC)c1OC ZINC001353495178 1068210462 /nfs/dbraw/zinc/21/04/62/1068210462.db2.gz RONQERLMVJZELI-UHFFFAOYSA-N 1 0 451.567 4.097 20 10 JICDRO COc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCCC3)CC2)cc1F ZINC001315512861 1064452464 /nfs/dbraw/zinc/45/24/64/1064452464.db2.gz PBUVVFCBRYSJAU-UHFFFAOYSA-N 1 0 472.653 4.215 20 10 JICDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CCN(c4ccc(OC(F)F)cc4)CC3)CC2)cc1 ZINC001338348798 1066549666 /nfs/dbraw/zinc/54/96/66/1066549666.db2.gz QGHJWLMOJDFFNG-UHFFFAOYSA-N 1 0 472.580 4.483 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1 ZINC001317965197 1066815927 /nfs/dbraw/zinc/81/59/27/1066815927.db2.gz NQKWMCBHWCGJEC-UHFFFAOYSA-N 1 0 460.578 4.170 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 ZINC001350975573 1067025688 /nfs/dbraw/zinc/02/56/88/1067025688.db2.gz BQTDOSOXUOZUES-UHFFFAOYSA-N 1 0 455.908 4.310 20 10 JICDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC001318354288 1067029487 /nfs/dbraw/zinc/02/94/87/1067029487.db2.gz NOOZHUDOAQBRKG-JOCHJYFZSA-N 1 0 479.024 4.375 20 10 JICDRO O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C[NH+]2CCCCC2)o1 ZINC001354784591 1067097569 /nfs/dbraw/zinc/09/75/69/1067097569.db2.gz NTOUQQPYFJKJDN-UHFFFAOYSA-N 1 0 451.489 4.051 20 10 JICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2S(=O)(=O)C(C)C)C1 ZINC001352092601 1067285336 /nfs/dbraw/zinc/28/53/36/1067285336.db2.gz ILSNEPBRWGGZDJ-UHFFFAOYSA-N 1 0 453.608 4.229 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)CSc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC001356064350 1067648460 /nfs/dbraw/zinc/64/84/60/1067648460.db2.gz HUCPELAIEGGKKQ-UHFFFAOYSA-N 1 0 455.668 4.413 20 10 JICDRO CSc1nc(C(C)C)nc(C)c1C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001356422819 1067749343 /nfs/dbraw/zinc/74/93/43/1067749343.db2.gz XEXUQZXADSWBDL-UHFFFAOYSA-N 1 0 453.656 4.092 20 10 JICDRO COc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CC[N@H+](C)C3CCCC3)CC2)cc1F ZINC001300247060 1067978223 /nfs/dbraw/zinc/97/82/23/1067978223.db2.gz JGKDLUYSMMIDSK-UHFFFAOYSA-N 1 0 472.653 4.215 20 10 JICDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849496578 1069069359 /nfs/dbraw/zinc/06/93/59/1069069359.db2.gz KIKKRIQWTFEOKL-IZZNHLLZSA-N 1 0 463.626 4.122 20 10 JICDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849588218 1069238527 /nfs/dbraw/zinc/23/85/27/1069238527.db2.gz PWACZSQEPMGSAW-UEVCKROQSA-N 1 0 472.077 4.440 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)cc1F ZINC001315513491 1064455365 /nfs/dbraw/zinc/45/53/65/1064455365.db2.gz UWCHQJDDKPPMHS-OAQYLSRUSA-N 1 0 486.661 4.414 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c(C)n(C4CC4)c4ccc(OC)cc43)CC2)cc1 ZINC001337367267 1066477547 /nfs/dbraw/zinc/47/75/47/1066477547.db2.gz YSPCCGGSTRDGSF-UHFFFAOYSA-N 1 0 476.621 4.244 20 10 JICDRO CCOc1ccc(Oc2cc(C[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)ccn2)cc1 ZINC001318629519 1067057880 /nfs/dbraw/zinc/05/78/80/1067057880.db2.gz FGNNRZNHIHYYQS-UHFFFAOYSA-N 1 0 450.558 4.453 20 10 JICDRO CCOc1ccccc1Oc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001321652760 1067190025 /nfs/dbraw/zinc/19/00/25/1067190025.db2.gz DJVHXTOODFMKMX-UHFFFAOYSA-N 1 0 450.558 4.453 20 10 JICDRO Cc1cccc(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1Br ZINC001356421699 1067748811 /nfs/dbraw/zinc/74/88/11/1067748811.db2.gz OVRQAHDWTCDZNX-UHFFFAOYSA-N 1 0 456.428 4.148 20 10 JICDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849588217 1069239007 /nfs/dbraw/zinc/23/90/07/1069239007.db2.gz PWACZSQEPMGSAW-PTUXOGIPSA-N 1 0 472.077 4.440 20 10 JICDRO CC(=O)N1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001359383796 1069489371 /nfs/dbraw/zinc/48/93/71/1069489371.db2.gz ISJPLVKMUXOHFR-UHFFFAOYSA-N 1 0 491.684 4.140 20 10 JICDRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001359416231 1069541250 /nfs/dbraw/zinc/54/12/50/1069541250.db2.gz ARWVYVZHACKBNO-HSZRJFAPSA-N 1 0 491.684 4.045 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3CC3([NH+](C)C)CCCC3)CC2)cc1 ZINC001315511415 1064447191 /nfs/dbraw/zinc/44/71/91/1064447191.db2.gz BUNBBHBSJAWSNF-UHFFFAOYSA-N 1 0 454.663 4.076 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC001315515098 1064461325 /nfs/dbraw/zinc/46/13/25/1064461325.db2.gz GRIIIEBFKDELIE-NHCUHLMSSA-N 1 0 454.663 4.068 20 10 JICDRO CO[C@@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](C)[NH+](C)C)CC1(C)C ZINC001315712172 1064992407 /nfs/dbraw/zinc/99/24/07/1064992407.db2.gz JJSJJNKYDGPLIP-WMZHIEFXSA-N 1 0 450.631 4.164 20 10 JICDRO COC[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC[N@H+](C)C(C)C)C1 ZINC001315906060 1065390339 /nfs/dbraw/zinc/39/03/39/1065390339.db2.gz NISMXBGTNDBJTQ-QFIPXVFZSA-N 1 0 450.631 4.166 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001316067975 1065706875 /nfs/dbraw/zinc/70/68/75/1065706875.db2.gz JUADFKJCWWWNGB-HSZRJFAPSA-N 1 0 464.658 4.413 20 10 JICDRO CN1CCN(c2ccc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccncc3)cc2F)CC1 ZINC001338757069 1066571437 /nfs/dbraw/zinc/57/14/37/1066571437.db2.gz ZWFVKOFRVDNQOT-UHFFFAOYSA-N 1 0 456.569 4.115 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(OC)c(-c4ccccc4)c3)CC2)cc1 ZINC001318084640 1066892554 /nfs/dbraw/zinc/89/25/54/1066892554.db2.gz ZYISHULMQLFHTM-UHFFFAOYSA-N 1 0 459.590 4.313 20 10 JICDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC001318354295 1067029662 /nfs/dbraw/zinc/02/96/62/1067029662.db2.gz NOOZHUDOAQBRKG-QFIPXVFZSA-N 1 0 479.024 4.375 20 10 JICDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000849069752 1067796458 /nfs/dbraw/zinc/79/64/58/1067796458.db2.gz WASGCCORXATSKG-UHFFFAOYSA-N 1 0 466.504 4.476 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(F)cc(Br)c3C)cc2F)CC1 ZINC001352969111 1067822687 /nfs/dbraw/zinc/82/26/87/1067822687.db2.gz HTWDOAWWQILBLQ-UHFFFAOYSA-N 1 0 452.343 4.108 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(C(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)CC2)cc1 ZINC001300246498 1067975443 /nfs/dbraw/zinc/97/54/43/1067975443.db2.gz BTIMBNYSTOONST-DEOSSOPVSA-N 1 0 454.663 4.247 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)cc1F ZINC001315513064 1064454206 /nfs/dbraw/zinc/45/42/06/1064454206.db2.gz UFGZKBYCXWPFAP-HXUWFJFHSA-N 1 0 472.653 4.172 20 10 JICDRO C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3OC(F)F)SC2=S)CC1 ZINC001317997867 1066840662 /nfs/dbraw/zinc/84/06/62/1066840662.db2.gz QKBZTZWVWBOKQK-ZSOIEALJSA-N 1 0 450.479 4.185 20 10 JICDRO CCc1cc2c(CC(=O)NCCC[NH+]3CCN(c4ccc(OC)cc4)CC3)csc2s1 ZINC001350976972 1067026064 /nfs/dbraw/zinc/02/60/64/1067026064.db2.gz TUCGKRVHTHKUFC-UHFFFAOYSA-N 1 0 457.665 4.405 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)CC2)cc1 ZINC001356064755 1067649230 /nfs/dbraw/zinc/64/92/30/1067649230.db2.gz KFWDVUYSKLCMSS-QFIPXVFZSA-N 1 0 453.627 4.223 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)C)n3C[C@]3([NH+](C)C)CCC[C@@H](C)C3)CC2)cc1F ZINC001300246709 1067977238 /nfs/dbraw/zinc/97/72/38/1067977238.db2.gz HHYADTGPQDAQCN-IBVKSMDESA-N 1 0 472.653 4.386 20 10 JICDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849511798 1069096082 /nfs/dbraw/zinc/09/60/82/1069096082.db2.gz UQSKRPUATXQKQW-UIOOFZCWSA-N 1 0 451.659 4.319 20 10 JICDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849511797 1069096470 /nfs/dbraw/zinc/09/64/70/1069096470.db2.gz UQSKRPUATXQKQW-IZZNHLLZSA-N 1 0 451.659 4.319 20 10 JICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)C1 ZINC001356000558 1067627838 /nfs/dbraw/zinc/62/78/38/1067627838.db2.gz DPWKBDISNASZNV-UHFFFAOYSA-N 1 0 452.986 4.402 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3C[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC001300248249 1067982521 /nfs/dbraw/zinc/98/25/21/1067982521.db2.gz WSQNOLOXCGYNRC-QHCPKHFHSA-N 1 0 468.690 4.322 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC001315515102 1064461338 /nfs/dbraw/zinc/46/13/38/1064461338.db2.gz GRIIIEBFKDELIE-SFTDATJTSA-N 1 0 454.663 4.068 20 10 JICDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 ZINC001337322699 1066474274 /nfs/dbraw/zinc/47/42/74/1066474274.db2.gz JQYMCVFTTWUTFN-HKWRFOASSA-N 1 0 489.688 4.446 20 10 JICDRO CN1CCN(c2ccc(C[NH2+]Cc3cccc(NC(=O)c4cccc(F)c4)c3)cc2F)CC1 ZINC001338750894 1066570734 /nfs/dbraw/zinc/57/07/34/1066570734.db2.gz GNKGEKRRVUHNIM-UHFFFAOYSA-N 1 0 450.533 4.259 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(Cc4ccccn4)n3CC[NH+](C(C)C)C(C)C)CC2)cc1 ZINC001300247882 1067981752 /nfs/dbraw/zinc/98/17/52/1067981752.db2.gz RBOUOGCOPZBPRD-UHFFFAOYSA-N 1 0 491.684 4.108 20 10 JICDRO COc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1OC(F)F ZINC001353696451 1068471001 /nfs/dbraw/zinc/47/10/01/1068471001.db2.gz GFISBYDLXIDVID-UHFFFAOYSA-N 1 0 457.521 4.334 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)C)n3C[C@@]3([NH+](C)C)CCC[C@H](C)C3)CC2)cc1F ZINC001300246710 1067977275 /nfs/dbraw/zinc/97/72/75/1067977275.db2.gz HHYADTGPQDAQCN-RXFWQSSRSA-N 1 0 472.653 4.386 20 10 JICDRO Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(C[NH+](C)C)c1 ZINC001353709881 1068497426 /nfs/dbraw/zinc/49/74/26/1068497426.db2.gz MSMDOMGPXMOSDR-DEDYPNTBSA-N 1 0 457.596 4.426 20 10 JICDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849496567 1069069565 /nfs/dbraw/zinc/06/95/65/1069069565.db2.gz KIKKRIQWTFEOKL-CLJLJLNGSA-N 1 0 463.626 4.122 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC001315512221 1064449917 /nfs/dbraw/zinc/44/99/17/1064449917.db2.gz KOAYSSBULQMVQR-DHIUTWEWSA-N 1 0 498.716 4.090 20 10 JICDRO COC1CC[NH+](C(C)(C)Cn2c(CC3CCCC3)nnc2N(C)Cc2ccccc2O)CC1 ZINC001315705020 1064973874 /nfs/dbraw/zinc/97/38/74/1064973874.db2.gz NOAJRWNZQZOHFG-UHFFFAOYSA-N 1 0 455.647 4.242 20 10 JICDRO CO[C@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)[NH+](C)C)CC1(C)C ZINC001315712173 1064992329 /nfs/dbraw/zinc/99/23/29/1064992329.db2.gz JJSJJNKYDGPLIP-XXBNENTESA-N 1 0 450.631 4.164 20 10 JICDRO COC[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001315907645 1065394456 /nfs/dbraw/zinc/39/44/56/1065394456.db2.gz XMCWJCWYHPCKOP-JOCHJYFZSA-N 1 0 464.658 4.413 20 10 JICDRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001316274196 1066023496 /nfs/dbraw/zinc/02/34/96/1066023496.db2.gz IIFPBTHPBJXBRW-QDNNMPSSSA-N 1 0 485.673 4.101 20 10 JICDRO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2)C1 ZINC001327192241 1066312608 /nfs/dbraw/zinc/31/26/08/1066312608.db2.gz PVHDOIJKMFNXBI-QGZVFWFLSA-N 1 0 468.941 4.500 20 10 JICDRO COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)ccc1OCc1ccncc1 ZINC001318346199 1067026237 /nfs/dbraw/zinc/02/62/37/1067026237.db2.gz CUCPLELXCPDLCH-FQEVSTJZSA-N 1 0 464.585 4.411 20 10 JICDRO CN1CCN(c2ccc(C[NH2+][C@@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cc2F)CC1 ZINC001318418784 1067040021 /nfs/dbraw/zinc/04/00/21/1067040021.db2.gz KPCSJLXONTWICH-QFIPXVFZSA-N 1 0 478.534 4.050 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccccc3N(C)c3ccccc3)CC2)cc1 ZINC001351458214 1067098131 /nfs/dbraw/zinc/09/81/31/1067098131.db2.gz UKZZRTHJZNCHFH-UHFFFAOYSA-N 1 0 458.606 4.405 20 10 JICDRO CCCC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001322610870 1067305955 /nfs/dbraw/zinc/30/59/55/1067305955.db2.gz MAAJEONYPDZXLM-AREMUKBSSA-N 1 0 481.660 4.465 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)CC2)cc1 ZINC001356064753 1067649105 /nfs/dbraw/zinc/64/91/05/1067649105.db2.gz KFWDVUYSKLCMSS-JOCHJYFZSA-N 1 0 453.627 4.223 20 10 JICDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cnc(Cl)cc1C(F)(F)F ZINC001356420596 1067748083 /nfs/dbraw/zinc/74/80/83/1067748083.db2.gz IGYIFOZRGZZROD-UHFFFAOYSA-N 1 0 452.908 4.216 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNCc3c(F)ccc(C4OCCO4)c3Cl)cc2F)CC1 ZINC001200151893 1067769607 /nfs/dbraw/zinc/76/96/07/1067769607.db2.gz MMFVPNATHLNSHJ-UHFFFAOYSA-N 1 0 451.945 4.095 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3csc(-c4cccc(C)c4)n3)cc2F)CC1 ZINC001352960395 1067818923 /nfs/dbraw/zinc/81/89/23/1067818923.db2.gz KPRSEVYNHAOFMV-UHFFFAOYSA-N 1 0 452.599 4.258 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CC[NH+](C(C)C)C(C)C)CC2)cc1F ZINC001300246253 1067973733 /nfs/dbraw/zinc/97/37/33/1067973733.db2.gz DFVCNWMKJIINGE-UHFFFAOYSA-N 1 0 460.642 4.169 20 10 JICDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCCSc2nccs2)CC1 ZINC001359548481 1069855155 /nfs/dbraw/zinc/85/51/55/1069855155.db2.gz CJIQSYSRGJFDQZ-UHFFFAOYSA-N 1 0 471.700 4.213 20 10 JICDRO COc1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)cc1F ZINC001315512081 1064449058 /nfs/dbraw/zinc/44/90/58/1064449058.db2.gz IJIDFYDSMOZUMG-OAQYLSRUSA-N 1 0 486.661 4.315 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(C4CCC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)cc1 ZINC001315512988 1064453623 /nfs/dbraw/zinc/45/36/23/1064453623.db2.gz RCWUXDDDZFYWMJ-QHCPKHFHSA-N 1 0 454.663 4.247 20 10 JICDRO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2)C1 ZINC001327192240 1066313066 /nfs/dbraw/zinc/31/30/66/1066313066.db2.gz PVHDOIJKMFNXBI-KRWDZBQOSA-N 1 0 468.941 4.500 20 10 JICDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC001337322713 1066474080 /nfs/dbraw/zinc/47/40/80/1066474080.db2.gz JQYMCVFTTWUTFN-HMMYKYKNSA-N 1 0 489.688 4.446 20 10 JICDRO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001338754970 1066570482 /nfs/dbraw/zinc/57/04/82/1066570482.db2.gz DFPBMSXBFMVPRS-KDYSTLNUSA-N 1 0 481.660 4.321 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=S)Nc3ccc(C)cc3Br)CC2)cc1 ZINC001200154912 1067777087 /nfs/dbraw/zinc/77/70/87/1067777087.db2.gz BSHHBPCXNGCOST-UHFFFAOYSA-N 1 0 477.472 4.265 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC001300248278 1067982764 /nfs/dbraw/zinc/98/27/64/1067982764.db2.gz YDOVGNSNBCQEAF-HSZRJFAPSA-N 1 0 468.690 4.324 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cc1 ZINC001300248248 1067983089 /nfs/dbraw/zinc/98/30/89/1067983089.db2.gz WSQNOLOXCGYNRC-HSZRJFAPSA-N 1 0 468.690 4.322 20 10 JICDRO CC(C)[N@@H+]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849496582 1069069404 /nfs/dbraw/zinc/06/94/04/1069069404.db2.gz KIKKRIQWTFEOKL-UIOOFZCWSA-N 1 0 463.626 4.122 20 10 JICDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[C@@H](c2cnn(C)c2)C1 ZINC000849588219 1069238832 /nfs/dbraw/zinc/23/88/32/1069238832.db2.gz PWACZSQEPMGSAW-WTIAFYNJSA-N 1 0 472.077 4.440 20 10 JICDRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCSc1nccs1 ZINC001359540903 1069838102 /nfs/dbraw/zinc/83/81/02/1069838102.db2.gz KDNUTSKYISDEFP-UHFFFAOYSA-N 1 0 478.732 4.054 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3CCC[NH+]3CCCCC3)CC2)cc1 ZINC001315512779 1064452347 /nfs/dbraw/zinc/45/23/47/1064452347.db2.gz NNFNYXXLSZZJLN-UHFFFAOYSA-N 1 0 454.663 4.078 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@H]1C ZINC001316068882 1065707743 /nfs/dbraw/zinc/70/77/43/1065707743.db2.gz SBYLPBGUGRETAT-PZJWPPBQSA-N 1 0 450.631 4.166 20 10 JICDRO CCOC(=O)c1c(NC(=O)CC[N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)sc(C)c1-c1ccccc1 ZINC001338259316 1066541367 /nfs/dbraw/zinc/54/13/67/1066541367.db2.gz QBEXZMNGZFQRAM-IBGZPJMESA-N 1 0 483.634 4.219 20 10 JICDRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001338754967 1066570666 /nfs/dbraw/zinc/57/06/66/1066570666.db2.gz DFPBMSXBFMVPRS-JIPXPUAJSA-N 1 0 481.660 4.321 20 10 JICDRO O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1c(F)cc(C(F)(F)F)cc1F ZINC001356420345 1067747993 /nfs/dbraw/zinc/74/79/93/1067747993.db2.gz GHGFKKRLVYSUSH-UHFFFAOYSA-N 1 0 453.455 4.446 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)cc1 ZINC001300247082 1067978637 /nfs/dbraw/zinc/97/86/37/1067978637.db2.gz HUCOYOSPNPLVBX-XMMPIXPASA-N 1 0 491.684 4.350 20 10 JICDRO O=C(OCc1ccccc1)c1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c[nH]1 ZINC001200399359 1068386399 /nfs/dbraw/zinc/38/63/99/1068386399.db2.gz AKHYAWQMNQIFKL-QFIPXVFZSA-N 1 0 453.970 4.485 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C(\C)c3ccccc3OC(F)F)CC2)cc1 ZINC001353707335 1068490585 /nfs/dbraw/zinc/49/05/85/1068490585.db2.gz OCGDLEFYYZOBBM-VHEBQXMUSA-N 1 0 459.537 4.028 20 10 JICDRO CC(C)[N@@H+]1CC[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)[C@H](c2cnn(C)c2)C1 ZINC000849588216 1069238714 /nfs/dbraw/zinc/23/87/14/1069238714.db2.gz PWACZSQEPMGSAW-OIBXWCBGSA-N 1 0 472.077 4.440 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC001315512119 1064450028 /nfs/dbraw/zinc/45/00/28/1064450028.db2.gz JBHGXUNROPRTDB-JOCHJYFZSA-N 1 0 468.690 4.324 20 10 JICDRO CO[C@@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@@H](C)[NH+](C)C)CC1(C)C ZINC001315712170 1064992289 /nfs/dbraw/zinc/99/22/89/1064992289.db2.gz JJSJJNKYDGPLIP-AUSIDOKSSA-N 1 0 450.631 4.164 20 10 JICDRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001316274195 1066023402 /nfs/dbraw/zinc/02/34/02/1066023402.db2.gz IIFPBTHPBJXBRW-MNHFLQJXSA-N 1 0 485.673 4.101 20 10 JICDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3OC(F)F)SC2=S)CC1 ZINC001317997865 1066840646 /nfs/dbraw/zinc/84/06/46/1066840646.db2.gz QKBZTZWVWBOKQK-RIYZIHGNSA-N 1 0 450.479 4.185 20 10 JICDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)ccc1OCc1ccncc1 ZINC001318346201 1067025936 /nfs/dbraw/zinc/02/59/36/1067025936.db2.gz CUCPLELXCPDLCH-HXUWFJFHSA-N 1 0 464.585 4.411 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c(Cl)cccc3C(F)(F)F)CC2)cc1 ZINC001351469684 1067099639 /nfs/dbraw/zinc/09/96/39/1067099639.db2.gz HKSJLOJLDFEFOA-UHFFFAOYSA-N 1 0 455.908 4.310 20 10 JICDRO Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001200820928 1067294128 /nfs/dbraw/zinc/29/41/28/1067294128.db2.gz KSJKGAAZUPWIIZ-AREMUKBSSA-N 1 0 450.604 4.114 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)CCc3c(Cl)cccc3Cl)CC2)cc1 ZINC001356065574 1067649173 /nfs/dbraw/zinc/64/91/73/1067649173.db2.gz PRDRQYBFMYLGOI-UHFFFAOYSA-N 1 0 450.410 4.263 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2)cc1F ZINC001300247245 1067979888 /nfs/dbraw/zinc/97/98/88/1067979888.db2.gz KCJXPIYNLSVYFD-FQEVSTJZSA-N 1 0 486.661 4.414 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001316067688 1065706187 /nfs/dbraw/zinc/70/61/87/1065706187.db2.gz HCMKDMNAERIQTE-SFTDATJTSA-N 1 0 464.658 4.413 20 10 JICDRO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001316274197 1066023625 /nfs/dbraw/zinc/02/36/25/1066023625.db2.gz IIFPBTHPBJXBRW-WOOVXOMTSA-N 1 0 485.673 4.101 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(-c4nc(C)cs4)c3)CC2)cc1 ZINC001351458329 1067098084 /nfs/dbraw/zinc/09/80/84/1067098084.db2.gz VUIGUTMEYXJGLA-UHFFFAOYSA-N 1 0 450.608 4.069 20 10 JICDRO CC[NH+](CC)C1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 ZINC001322589050 1067304046 /nfs/dbraw/zinc/30/40/46/1067304046.db2.gz KOXJHAPKSNRKMC-SDXDJHTJSA-N 1 0 451.683 4.062 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3c(C)nc(C(C)(C)C)nc3SC)cc2F)CC1 ZINC001352959651 1067818780 /nfs/dbraw/zinc/81/87/80/1067818780.db2.gz GVBZHJLIFLWOQF-UHFFFAOYSA-N 1 0 459.635 4.015 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3sc(Cl)nc3C(F)(F)F)cc2F)CC1 ZINC001352969529 1067822964 /nfs/dbraw/zinc/82/29/64/1067822964.db2.gz MHVQPAVEIGKJAB-UHFFFAOYSA-N 1 0 450.889 4.026 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)CC2)cc1F ZINC001300246712 1067976811 /nfs/dbraw/zinc/97/68/11/1067976811.db2.gz HINLUYFISLFOQW-UHFFFAOYSA-N 1 0 472.653 4.172 20 10 JICDRO COc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@H+](C)C(C)C)CC2)cc1F ZINC001300247090 1067978370 /nfs/dbraw/zinc/97/83/70/1067978370.db2.gz JUGXQWIEEYRNAG-UHFFFAOYSA-N 1 0 460.642 4.071 20 10 JICDRO COc1ccc(N2CCN(c3nnc(-c4ccc(C)o4)n3CCC[N@H+](C)C(C)C)CC2)cc1F ZINC001300248031 1067981961 /nfs/dbraw/zinc/98/19/61/1067981961.db2.gz TZCZJDGEDKRZFT-UHFFFAOYSA-N 1 0 470.593 4.051 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC001300248279 1067983284 /nfs/dbraw/zinc/98/32/84/1067983284.db2.gz YDOVGNSNBCQEAF-QHCPKHFHSA-N 1 0 468.690 4.324 20 10 JICDRO CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001200333625 1068100198 /nfs/dbraw/zinc/10/01/98/1068100198.db2.gz RSVIDGAZNQEVGY-UHFFFAOYSA-N 1 0 460.640 4.421 20 10 JICDRO O=C(OCc1ccccc1)c1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c[nH]1 ZINC001200399353 1068386357 /nfs/dbraw/zinc/38/63/57/1068386357.db2.gz AKHYAWQMNQIFKL-JOCHJYFZSA-N 1 0 453.970 4.485 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC001353707540 1068490338 /nfs/dbraw/zinc/49/03/38/1068490338.db2.gz VRHACULNWGMZNH-UHFFFAOYSA-N 1 0 459.581 4.413 20 10 JICDRO COC[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC[N@H+](C)C(C)C)C1 ZINC001315906059 1065389686 /nfs/dbraw/zinc/38/96/86/1065389686.db2.gz NISMXBGTNDBJTQ-JOCHJYFZSA-N 1 0 450.631 4.166 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C(C)C)C1 ZINC001316067976 1065706723 /nfs/dbraw/zinc/70/67/23/1065706723.db2.gz JUADFKJCWWWNGB-QHCPKHFHSA-N 1 0 464.658 4.413 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3sc(C4CCCCC4)nc3C)CC2)cc1 ZINC001350977582 1067025917 /nfs/dbraw/zinc/02/59/17/1067025917.db2.gz ZJYIZSXVVQWFRJ-UHFFFAOYSA-N 1 0 456.656 4.450 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(SC(F)(F)F)c3)CC2)cc1 ZINC001350976363 1067026035 /nfs/dbraw/zinc/02/60/35/1067026035.db2.gz MUNTUNZNRQIPQY-UHFFFAOYSA-N 1 0 453.530 4.249 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc(Br)c3Cl)cc2F)CC1 ZINC001352959732 1067818754 /nfs/dbraw/zinc/81/87/54/1067818754.db2.gz HLCHPWWCSSUFMV-UHFFFAOYSA-N 1 0 454.771 4.314 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)cc1 ZINC001315511426 1064447342 /nfs/dbraw/zinc/44/73/42/1064447342.db2.gz CBMXDCHNVPUJCI-AREMUKBSSA-N 1 0 486.730 4.029 20 10 JICDRO CN1CCN(c2ccc(C[NH2+]Cc3cc(Br)ccc3OC(F)F)cc2F)CC1 ZINC001338754864 1066570558 /nfs/dbraw/zinc/57/05/58/1066570558.db2.gz BVCXAGNQZXWZHO-UHFFFAOYSA-N 1 0 458.322 4.231 20 10 JICDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001338754960 1066570767 /nfs/dbraw/zinc/57/07/67/1066570767.db2.gz DFPBMSXBFMVPRS-IDISGSTGSA-N 1 0 481.660 4.321 20 10 JICDRO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001338754975 1066570987 /nfs/dbraw/zinc/57/09/87/1066570987.db2.gz DFPBMSXBFMVPRS-ZBLYBZFDSA-N 1 0 481.660 4.321 20 10 JICDRO CCCC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001322610871 1067305740 /nfs/dbraw/zinc/30/57/40/1067305740.db2.gz MAAJEONYPDZXLM-SANMLTNESA-N 1 0 481.660 4.465 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)cn2)CC1 ZINC001323630926 1067324404 /nfs/dbraw/zinc/32/44/04/1067324404.db2.gz MWNPXGPSRKPBCW-UHFFFAOYSA-N 1 0 452.002 4.214 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C\c3csc(C(F)(F)F)c3)CC2)cc1 ZINC001352410817 1067381134 /nfs/dbraw/zinc/38/11/34/1067381134.db2.gz UMSLENIUZLMQQZ-BAQGIRSFSA-N 1 0 453.530 4.117 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)C)n3C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)CC2)cc1F ZINC001300246708 1067975387 /nfs/dbraw/zinc/97/53/87/1067975387.db2.gz HHYADTGPQDAQCN-FQRUVTKNSA-N 1 0 472.653 4.386 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCCCC3)CC2)cc1 ZINC001300248266 1067982938 /nfs/dbraw/zinc/98/29/38/1067982938.db2.gz XNYWINSJONTFCP-UHFFFAOYSA-N 1 0 468.690 4.468 20 10 JICDRO CCCCCC(=O)NC1CCN(C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)CC1 ZINC001358140889 1068029490 /nfs/dbraw/zinc/02/94/90/1068029490.db2.gz CJYDKAFSQLWIFW-UHFFFAOYSA-N 1 0 452.643 4.095 20 10 JICDRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2CCCSc2nccs2)CC1 ZINC001359547821 1069853981 /nfs/dbraw/zinc/85/39/81/1069853981.db2.gz DCSBZKSDRBYKOV-UHFFFAOYSA-N 1 0 457.673 4.290 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@H](C)[C@@H]1C ZINC001316068881 1065707880 /nfs/dbraw/zinc/70/78/80/1065707880.db2.gz SBYLPBGUGRETAT-FPOVZHCZSA-N 1 0 450.631 4.166 20 10 JICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC001352101740 1067287282 /nfs/dbraw/zinc/28/72/82/1067287282.db2.gz CASDCCCXUQNVLV-UHFFFAOYSA-N 1 0 459.999 4.103 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001316068880 1065708211 /nfs/dbraw/zinc/70/82/11/1065708211.db2.gz SBYLPBGUGRETAT-CTNGQTDRSA-N 1 0 450.631 4.166 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)c3c(Cl)cccc3Cl)CC2)cc1 ZINC001349003022 1066797589 /nfs/dbraw/zinc/79/75/89/1066797589.db2.gz AGDDDVGAJBZDOC-KRWDZBQOSA-N 1 0 450.410 4.434 20 10 JICDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC001318076602 1066887261 /nfs/dbraw/zinc/88/72/61/1066887261.db2.gz CYGRDVKISQDCJF-UHFFFAOYSA-N 1 0 473.061 4.304 20 10 JICDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)C1 ZINC001355495540 1067489485 /nfs/dbraw/zinc/48/94/85/1067489485.db2.gz UCWDVWLORNMVMY-UHFFFAOYSA-N 1 0 452.986 4.402 20 10 JICDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)cc2F)CC1 ZINC001352970595 1067823386 /nfs/dbraw/zinc/82/33/86/1067823386.db2.gz VHTDSRQMKKXKBT-VQTJNVASSA-N 1 0 460.391 4.150 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(-c4cccc(C)n4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)cc1 ZINC001300247077 1067978011 /nfs/dbraw/zinc/97/80/11/1067978011.db2.gz HUCOYOSPNPLVBX-DEOSSOPVSA-N 1 0 491.684 4.350 20 10 JICDRO CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC000849511795 1069095501 /nfs/dbraw/zinc/09/55/01/1069095501.db2.gz UQSKRPUATXQKQW-CLJLJLNGSA-N 1 0 451.659 4.319 20 10 JICDRO COc1ccc(N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)CC2)cc1F ZINC001315512080 1064449229 /nfs/dbraw/zinc/44/92/29/1064449229.db2.gz IJIDFYDSMOZUMG-NRFANRHFSA-N 1 0 486.661 4.315 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(-c4csc(C)n4)cc3)CC2)cc1 ZINC001352409192 1067380518 /nfs/dbraw/zinc/38/05/18/1067380518.db2.gz HYERBDACOUHMOD-UHFFFAOYSA-N 1 0 450.608 4.069 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)(C)C)n3CCC[N@H+](C)C(C)C)CC2)cc1 ZINC001300246975 1067977089 /nfs/dbraw/zinc/97/70/89/1067977089.db2.gz FYMWAGGXYOECAC-UHFFFAOYSA-N 1 0 456.679 4.322 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)Cc3cc(Cl)cc4ccccc43)CC2)cc1 ZINC001353707523 1068490395 /nfs/dbraw/zinc/49/03/95/1068490395.db2.gz UZOKECOHQDLTIC-UHFFFAOYSA-N 1 0 451.998 4.373 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001316067686 1065706098 /nfs/dbraw/zinc/70/60/98/1065706098.db2.gz HCMKDMNAERIQTE-NHCUHLMSSA-N 1 0 464.658 4.413 20 10 JICDRO CO[C@@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CCC[N@H+](C)C(C)C)C1 ZINC001316315071 1066071202 /nfs/dbraw/zinc/07/12/02/1066071202.db2.gz XNWMIVXJLPEBBX-HSZRJFAPSA-N 1 0 450.631 4.308 20 10 JICDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(N4CCOCC4)cc3C(F)(F)F)CC2)cc1 ZINC001317939419 1066798146 /nfs/dbraw/zinc/79/81/46/1066798146.db2.gz KHNPEEQFXISTJI-UHFFFAOYSA-N 1 0 490.570 4.268 20 10 JICDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)c1 ZINC001318056760 1066875587 /nfs/dbraw/zinc/87/55/87/1066875587.db2.gz XIXAPTMDAGCJME-UHFFFAOYSA-N 1 0 452.942 4.469 20 10 JICDRO O=C(NCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC001318366724 1067033033 /nfs/dbraw/zinc/03/30/33/1067033033.db2.gz DTQCIDSCAZXDET-UHFFFAOYSA-N 1 0 450.461 4.124 20 10 JICDRO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1 ZINC001322393948 1067285813 /nfs/dbraw/zinc/28/58/13/1067285813.db2.gz RQYHUXRYWCPXJV-RUZDIDTESA-N 1 0 451.014 4.466 20 10 JICDRO Cc1ccc(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(Br)c1 ZINC001356419526 1067747548 /nfs/dbraw/zinc/74/75/48/1067747548.db2.gz ANYJNDAYHGZDCT-UHFFFAOYSA-N 1 0 456.428 4.148 20 10 JICDRO CC(C)[N@@H+]1CC[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[C@H](c2cnn(C)c2)C1 ZINC000849496573 1069069648 /nfs/dbraw/zinc/06/96/48/1069069648.db2.gz KIKKRIQWTFEOKL-FTJBHMTQSA-N 1 0 463.626 4.122 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C4CCC4)n3CC[NH+](C(C)C)C(C)C)CC2)cc1F ZINC001315513066 1064454386 /nfs/dbraw/zinc/45/43/86/1064454386.db2.gz UHIOKYDUNHKKDW-UHFFFAOYSA-N 1 0 458.626 4.139 20 10 JICDRO CCOC(=O)c1c(NC(=O)CC[N@@H+]2CCCN(C(=O)OC)CC2)sc(C)c1-c1ccccc1 ZINC001338249314 1066539962 /nfs/dbraw/zinc/53/99/62/1066539962.db2.gz SLMNYBATKQZXMD-UHFFFAOYSA-N 1 0 473.595 4.003 20 10 JICDRO CCC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001321654309 1067190996 /nfs/dbraw/zinc/19/09/96/1067190996.db2.gz QYWFMOSNBSTPLI-RUZDIDTESA-N 1 0 467.633 4.075 20 10 JICDRO CN1CCN(c2ccc(C[NH2+]CC3(c4ccc(Br)cc4)CCOCC3)cc2F)CC1 ZINC001322610358 1067305871 /nfs/dbraw/zinc/30/58/71/1067305871.db2.gz DSOTUGZSTYBACX-UHFFFAOYSA-N 1 0 476.434 4.178 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C(/C)c3ccccc3OC(F)F)CC2)cc1 ZINC001353707334 1068490132 /nfs/dbraw/zinc/49/01/32/1068490132.db2.gz OCGDLEFYYZOBBM-HNENSFHCSA-N 1 0 459.537 4.028 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(CC(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC001315512223 1064450112 /nfs/dbraw/zinc/45/01/12/1064450112.db2.gz KOAYSSBULQMVQR-ZRZAMGCNSA-N 1 0 498.716 4.090 20 10 JICDRO COC[C@H]1CCN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001315907654 1065394773 /nfs/dbraw/zinc/39/47/73/1065394773.db2.gz XMCWJCWYHPCKOP-QFIPXVFZSA-N 1 0 464.658 4.413 20 10 JICDRO Cc1cccc(-c2nnc(N(C)Cc3ccc(N4CCOCC4)cc3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001492499186 1066240661 /nfs/dbraw/zinc/24/06/61/1066240661.db2.gz HNCLWTKINXXCGV-UHFFFAOYSA-N 1 0 491.684 4.240 20 10 JICDRO COc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCSc2nccs2)c1 ZINC001300390666 1068506512 /nfs/dbraw/zinc/50/65/12/1068506512.db2.gz YTIJNKSCDDZVKE-UHFFFAOYSA-N 1 0 472.684 4.371 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)cc1F ZINC001315513063 1064453752 /nfs/dbraw/zinc/45/37/52/1064453752.db2.gz UFGZKBYCXWPFAP-FQEVSTJZSA-N 1 0 472.653 4.172 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)COc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC001349004758 1066797727 /nfs/dbraw/zinc/79/77/27/1066797727.db2.gz MUQSOOUPDXHCPO-UHFFFAOYSA-N 1 0 459.590 4.070 20 10 JICDRO CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC001318510214 1067050420 /nfs/dbraw/zinc/05/04/20/1067050420.db2.gz XUIASWHPZGEGCN-UHFFFAOYSA-N 1 0 461.610 4.009 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3c(Cl)cccc3OCC3CC3)CC2)cc1 ZINC001352408928 1067380715 /nfs/dbraw/zinc/38/07/15/1067380715.db2.gz GSKSSEALIHCPOL-UHFFFAOYSA-N 1 0 458.002 4.080 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)c3c(Cl)cccc3Cl)CC2)cc1 ZINC001349003023 1066797903 /nfs/dbraw/zinc/79/79/03/1066797903.db2.gz AGDDDVGAJBZDOC-QGZVFWFLSA-N 1 0 450.410 4.434 20 10 JICDRO COc1ccc(N2CC[NH+](CCCNC(=O)c3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1 ZINC001350976378 1067026134 /nfs/dbraw/zinc/02/61/34/1067026134.db2.gz NAJQOQFPIUOWAG-UHFFFAOYSA-N 1 0 455.908 4.310 20 10 JICDRO COc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCSc2nccs2)c(OC)c1 ZINC001300068568 1067586841 /nfs/dbraw/zinc/58/68/41/1067586841.db2.gz OPFSOLXGCDEEIX-UHFFFAOYSA-N 1 0 488.683 4.132 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(C(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)CC2)cc1 ZINC001300246501 1067975668 /nfs/dbraw/zinc/97/56/68/1067975668.db2.gz BTIMBNYSTOONST-XMMPIXPASA-N 1 0 454.663 4.247 20 10 JICDRO COc1ccc(N2CCN(c3nnc(CC4CCCC4)n3CCC[N@H+](C)C(C)C)CC2)cc1F ZINC001300248389 1067984610 /nfs/dbraw/zinc/98/46/10/1067984610.db2.gz WVJDNLGKEYFEJH-UHFFFAOYSA-N 1 0 472.653 4.215 20 10 JICDRO COc1ccc(N2CCCN(c3nnc(C)n3CC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC001315515100 1064461487 /nfs/dbraw/zinc/46/14/87/1064461487.db2.gz GRIIIEBFKDELIE-OYRHEFFESA-N 1 0 454.663 4.068 20 10 JICDRO CO[C@H]1CN(c2nnc(-c3cc(C)n(-c4ccccc4)c3C)n2C[C@H](C)[NH+](C)C)CC1(C)C ZINC001315712171 1064992356 /nfs/dbraw/zinc/99/23/56/1064992356.db2.gz JJSJJNKYDGPLIP-CVDCTZTESA-N 1 0 450.631 4.164 20 10 JICDRO COCC[N@H+](C)CCCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(F)(F)C1 ZINC001316062101 1065699824 /nfs/dbraw/zinc/69/98/24/1065699824.db2.gz AOIDGRJSGVTEDT-UHFFFAOYSA-N 1 0 472.584 4.166 20 10 JICDRO COCC[N@H+](C)CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001316067687 1065705783 /nfs/dbraw/zinc/70/57/83/1065705783.db2.gz HCMKDMNAERIQTE-OYRHEFFESA-N 1 0 464.658 4.413 20 10 JICDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3ccc(N4CCN(C)CC4)c(F)c3)cc2)cc1 ZINC001318370091 1067032870 /nfs/dbraw/zinc/03/28/70/1067032870.db2.gz ACAHRABITUGFMT-UHFFFAOYSA-N 1 0 490.623 4.236 20 10 JICDRO Cc1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001200820930 1067294326 /nfs/dbraw/zinc/29/43/26/1067294326.db2.gz KSJKGAAZUPWIIZ-SANMLTNESA-N 1 0 450.604 4.114 20 10 JICDRO Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(C[NH+](C)C)c1 ZINC001353709882 1068497486 /nfs/dbraw/zinc/49/74/86/1068497486.db2.gz MSMDOMGPXMOSDR-MOSHPQCFSA-N 1 0 457.596 4.426 20 10 JICDRO CCN(Cc1ccccc1)c1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC001200545059 1068864105 /nfs/dbraw/zinc/86/41/05/1068864105.db2.gz QKIVTPRLWSSKEA-UHFFFAOYSA-N 1 0 451.583 4.067 20 10 JICDRO CN1CCN(c2ccc(C[NH2+][C@H](CN3CCCC3=O)c3cccc(C(F)(F)F)c3)cc2F)CC1 ZINC001318418782 1067040656 /nfs/dbraw/zinc/04/06/56/1067040656.db2.gz KPCSJLXONTWICH-JOCHJYFZSA-N 1 0 478.534 4.050 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)C)n3C[C@]3([NH+](C)C)CCC[C@H](C)C3)CC2)cc1F ZINC001300246705 1067975713 /nfs/dbraw/zinc/97/57/13/1067975713.db2.gz HHYADTGPQDAQCN-FNZWTVRRSA-N 1 0 472.653 4.386 20 10 JICDRO COc1ccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)[NH+](C)C)CC2)cc1F ZINC001300247248 1067979626 /nfs/dbraw/zinc/97/96/26/1067979626.db2.gz KCJXPIYNLSVYFD-HXUWFJFHSA-N 1 0 486.661 4.414 20 10 JICDRO