smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(SCCO)cc1 ZINC000217880356 407510071 /nfs/dbraw/zinc/51/00/71/407510071.db2.gz WMYZXGARUGDLJY-AWEZNQCLSA-N 1 1 308.447 1.985 50 70 DDIAMO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](CC(C)C)C2)cc(=O)[nH]1 ZINC000217774023 407506742 /nfs/dbraw/zinc/50/67/42/407506742.db2.gz ZMOLUEZOYOHXJF-CQSZACIVSA-N 1 1 305.422 1.733 50 70 DDIAMO O[C@@H]1CN(Cc2cc(C3CC3)[nH]n2)CCN(c2cc[nH+]cc2)C1 ZINC000216989198 418560272 /nfs/dbraw/zinc/56/02/72/418560272.db2.gz WPEDXPHVQZHIRY-MRXNPFEDSA-N 1 1 313.405 1.365 50 70 DDIAMO CCc1nccn1CCC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000217785337 407508206 /nfs/dbraw/zinc/50/82/06/407508206.db2.gz MUGVQNPNTXNGLF-UHFFFAOYSA-N 1 1 302.382 1.360 50 70 DDIAMO O=c1cc(C[NH+]2CCCCC2)oc(CN2CCOCC2)c1O ZINC000217657457 407506839 /nfs/dbraw/zinc/50/68/39/407506839.db2.gz ASYZUWMATXSXAM-UHFFFAOYSA-N 1 1 308.378 1.164 50 70 DDIAMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000218766635 407524490 /nfs/dbraw/zinc/52/44/90/407524490.db2.gz WJNBNUBEOKODSK-HNNXBMFYSA-N 1 1 320.437 1.159 50 70 DDIAMO CC(=O)NC1CCC([NH2+]C[C@H](O)CN2CCC(C)CC2)CC1 ZINC000161433183 337383443 /nfs/dbraw/zinc/38/34/43/337383443.db2.gz KFLKUTNXJNLKEI-JCYILVPMSA-N 1 1 311.470 1.116 50 70 DDIAMO CN(C(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159935397 197374926 /nfs/dbraw/zinc/37/49/26/197374926.db2.gz DJETWRNOTQENES-WCQYABFASA-N 1 1 323.393 1.052 50 70 DDIAMO COCc1cc(CNc2cc(C3CC([NH3+])C3)nc(C)n2)n[nH]1 ZINC000218593249 257274094 /nfs/dbraw/zinc/27/40/94/257274094.db2.gz GWICCOZPGQAQSQ-UHFFFAOYSA-N 1 1 302.382 1.471 50 70 DDIAMO COCc1nc(C)cc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000160400898 408479845 /nfs/dbraw/zinc/47/98/45/408479845.db2.gz ZERPEMLZRWAHOK-CQSZACIVSA-N 1 1 306.410 1.232 50 70 DDIAMO CN(C)C(=O)OCC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000159394205 354234110 /nfs/dbraw/zinc/23/41/10/354234110.db2.gz TZNLNDCZLYCZLR-LBPRGKRZSA-N 1 1 307.398 1.491 50 70 DDIAMO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@](C)(O)C1)c1ccccc1 ZINC000160196533 248313503 /nfs/dbraw/zinc/31/35/03/248313503.db2.gz WYAKJSZMHOCXLI-FUHWJXTLSA-N 1 1 319.449 1.252 50 70 DDIAMO CN1CC[NH+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000218538020 333393801 /nfs/dbraw/zinc/39/38/01/333393801.db2.gz WXLSWACNYMVNJL-UHFFFAOYSA-N 1 1 301.346 1.004 50 70 DDIAMO Cc1nnc([C@H]2CCCN(C(=O)Cn3c[nH+]c(C)c3C)C2)[nH]1 ZINC000218621560 201542076 /nfs/dbraw/zinc/54/20/76/201542076.db2.gz OBWOYQMPMJYPCO-ZDUSSCGKSA-N 1 1 302.382 1.333 50 70 DDIAMO COCc1nc(N[C@@H](C)c2n[nH]c(C)n2)cc(C2CC([NH3+])C2)n1 ZINC000218238175 407515354 /nfs/dbraw/zinc/51/53/54/407515354.db2.gz ILDCNHOVOWHQIM-PUSIOWJLSA-N 1 1 317.397 1.427 50 70 DDIAMO COc1cc(F)c(CN2CCN3CC[N@@H+](C)C[C@@H]3C2)c(F)c1 ZINC000217030850 407499145 /nfs/dbraw/zinc/49/91/45/407499145.db2.gz CMEAJDSYRMEESW-GFCCVEGCSA-N 1 1 311.376 1.405 50 70 DDIAMO O[C@@H]1CN(Cc2cc(C3CC3)n[nH]2)CC[N@H+](Cc2ccoc2)C1 ZINC000216928689 484142234 /nfs/dbraw/zinc/14/22/34/484142234.db2.gz KAIDTADMSUNMCG-INIZCTEOSA-N 1 1 316.405 1.559 50 70 DDIAMO O[C@@H]1CN(Cc2cc(C3CC3)n[nH]2)CC[N@@H+](Cc2ccoc2)C1 ZINC000216928689 484142236 /nfs/dbraw/zinc/14/22/36/484142236.db2.gz KAIDTADMSUNMCG-INIZCTEOSA-N 1 1 316.405 1.559 50 70 DDIAMO CCOCC[N@H+]1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000216643525 354312979 /nfs/dbraw/zinc/31/29/79/354312979.db2.gz KRSMHEJNKKJNEM-INIZCTEOSA-N 1 1 310.413 1.731 50 70 DDIAMO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](CC(C)C)C2)cc(=O)[nH]1 ZINC000217773941 407508129 /nfs/dbraw/zinc/50/81/29/407508129.db2.gz ZMOLUEZOYOHXJF-AWEZNQCLSA-N 1 1 305.422 1.733 50 70 DDIAMO CCc1[nH+]ccn1CCC(=O)N1CCC(n2cnnc2)CC1 ZINC000217129204 484143741 /nfs/dbraw/zinc/14/37/41/484143741.db2.gz RBADTLJOYROKRF-UHFFFAOYSA-N 1 1 302.382 1.291 50 70 DDIAMO COCc1cc(CNC(=O)C2([NH+]3CCCC3)CCCC2)n[nH]1 ZINC000218141842 407512757 /nfs/dbraw/zinc/51/27/57/407512757.db2.gz JGICBVGKPJTJDU-UHFFFAOYSA-N 1 1 306.410 1.581 50 70 DDIAMO Cc1n[nH]c(C2CCN(c3cc(C4CC([NH3+])C4)ncn3)CC2)n1 ZINC000218131500 407513474 /nfs/dbraw/zinc/51/34/74/407513474.db2.gz PTYWMGUUFIQMFK-UHFFFAOYSA-N 1 1 313.409 1.492 50 70 DDIAMO Cc1nnc(C2CCN(c3cc(C4CC([NH3+])C4)ncn3)CC2)[nH]1 ZINC000218131500 407513480 /nfs/dbraw/zinc/51/34/80/407513480.db2.gz PTYWMGUUFIQMFK-UHFFFAOYSA-N 1 1 313.409 1.492 50 70 DDIAMO COc1ccc(CN2CCN3CC[N@@H+](C)C[C@@H]3C2)c(OC)c1 ZINC000217487078 407503766 /nfs/dbraw/zinc/50/37/66/407503766.db2.gz AYHMJKYQZKMQNA-OAHLLOKOSA-N 1 1 305.422 1.135 50 70 DDIAMO CCO[C@H]1C[N@@H+](C2CCN(CCc3ccccc3)CC2)C[C@@H]1O ZINC000218571214 257273793 /nfs/dbraw/zinc/27/37/93/257273793.db2.gz ZKFXOUHOIUCENW-OALUTQOASA-N 1 1 318.461 1.775 50 70 DDIAMO CCO[C@H]1C[N@H+](C2CCN(CCc3ccccc3)CC2)C[C@@H]1O ZINC000218571214 257273795 /nfs/dbraw/zinc/27/37/95/257273795.db2.gz ZKFXOUHOIUCENW-OALUTQOASA-N 1 1 318.461 1.775 50 70 DDIAMO COc1cc(CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)on1 ZINC000217847942 407510339 /nfs/dbraw/zinc/51/03/39/407510339.db2.gz XMDCTOKPJQLETG-DZGCQCFKSA-N 1 1 321.421 1.997 50 70 DDIAMO Cc1cc(N2CCC[C@H]2C[NH+]2CCOCC2)nc(C2CC2)n1 ZINC000160411729 408482773 /nfs/dbraw/zinc/48/27/73/408482773.db2.gz FMPWFDMTKYRDLL-HNNXBMFYSA-N 1 1 302.422 1.963 50 70 DDIAMO Cc1nonc1CC(=O)N1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000217151426 484144081 /nfs/dbraw/zinc/14/40/81/484144081.db2.gz SFCDWRVZHUAYSW-TXEJJXNPSA-N 1 1 322.409 1.021 50 70 DDIAMO Cc1ccc(O[C@H]2CCOC[C@H]2NC(=O)Cc2cnc[nH]2)cn1 ZINC000218740589 407521661 /nfs/dbraw/zinc/52/16/61/407521661.db2.gz RWCGNABDRYLWDQ-CABCVRRESA-N 1 1 316.361 1.008 50 70 DDIAMO CC(=O)c1cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)CC2)n(C)c1 ZINC000217518791 407505524 /nfs/dbraw/zinc/50/55/24/407505524.db2.gz OXAZDENLMFTMCL-INIZCTEOSA-N 1 1 305.378 1.692 50 70 DDIAMO O=C(c1ccc(Cl)cc1O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000218527627 407521190 /nfs/dbraw/zinc/52/11/90/407521190.db2.gz DDZOKRHLXWTJBZ-ZFWWWQNUSA-N 1 1 324.808 1.717 50 70 DDIAMO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CSC[NH2+]1 ZINC000159679883 354234983 /nfs/dbraw/zinc/23/49/83/354234983.db2.gz GSDSZJBDPUPQBZ-MNOVXSKESA-N 1 1 321.229 1.806 50 70 DDIAMO COCCN(C)CC(=O)N[C@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000217744452 407507956 /nfs/dbraw/zinc/50/79/56/407507956.db2.gz KCAKSYCTANVFKC-GFCCVEGCSA-N 1 1 304.394 1.627 50 70 DDIAMO COCC[N@H+](C)CC(=O)N[C@H](C)c1nc2cc(C)ccc2[nH]1 ZINC000217744452 407507963 /nfs/dbraw/zinc/50/79/63/407507963.db2.gz KCAKSYCTANVFKC-GFCCVEGCSA-N 1 1 304.394 1.627 50 70 DDIAMO COCC[N@@H+](C)CC(=O)N[C@H](C)c1nc2cc(C)ccc2[nH]1 ZINC000217744452 407507968 /nfs/dbraw/zinc/50/79/68/407507968.db2.gz KCAKSYCTANVFKC-GFCCVEGCSA-N 1 1 304.394 1.627 50 70 DDIAMO COCC[N@H+](C)CC(=O)N[C@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000217744452 407507974 /nfs/dbraw/zinc/50/79/74/407507974.db2.gz KCAKSYCTANVFKC-GFCCVEGCSA-N 1 1 304.394 1.627 50 70 DDIAMO COCC[N@@H+](C)CC(=O)N[C@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000217744452 407507980 /nfs/dbraw/zinc/50/79/80/407507980.db2.gz KCAKSYCTANVFKC-GFCCVEGCSA-N 1 1 304.394 1.627 50 70 DDIAMO CN(CCc1ncon1)C(=O)C1([NH+]2CCOCC2)CCCCC1 ZINC000216968386 418560419 /nfs/dbraw/zinc/56/04/19/418560419.db2.gz NYSUNPUDCHAAAZ-UHFFFAOYSA-N 1 1 322.409 1.106 50 70 DDIAMO CC[C@@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1ncccc1C ZINC000218769029 407526015 /nfs/dbraw/zinc/52/60/15/407526015.db2.gz FJYMLNIGFTVKTD-OAHLLOKOSA-N 1 1 304.438 1.595 50 70 DDIAMO COC(=O)N1CCCC[C@@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000218318690 407516415 /nfs/dbraw/zinc/51/64/15/407516415.db2.gz AEDAOFRWKSIRHS-CYBMUJFWSA-N 1 1 308.382 1.319 50 70 DDIAMO COc1ccc(-c2nc3c([nH]2)C[N@@H+](C[C@H]2CCOC2)CC3)cn1 ZINC000218508799 407518877 /nfs/dbraw/zinc/51/88/77/407518877.db2.gz VTCBIHIBQYZEOQ-GFCCVEGCSA-N 1 1 314.389 1.875 50 70 DDIAMO C[NH+](C)[C@@H](C(=O)NCC1(C)COC1)c1ccc2c(c1)OCO2 ZINC000217472406 407504210 /nfs/dbraw/zinc/50/42/10/407504210.db2.gz OFCAOMRMZHYIEC-CQSZACIVSA-N 1 1 306.362 1.171 50 70 DDIAMO CC[C@H](O)c1cc2n(n1)CCN(C(=O)CCn1cc[nH+]c1C)C2 ZINC000217180814 484144719 /nfs/dbraw/zinc/14/47/19/484144719.db2.gz LDERVAJNSMQBFL-HNNXBMFYSA-N 1 1 317.393 1.264 50 70 DDIAMO O[C@@H]1CCOC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000217484536 407505886 /nfs/dbraw/zinc/50/58/86/407505886.db2.gz NRACSDNWKPIFKB-QZTJIDSGSA-N 1 1 304.434 1.433 50 70 DDIAMO COc1ccc2ncc(C(=O)NCCc3cnc[nH]3)c(O)c2c1 ZINC000217674208 407506673 /nfs/dbraw/zinc/50/66/73/407506673.db2.gz BXOKGKMYEKYNNF-UHFFFAOYSA-N 1 1 312.329 1.645 50 70 DDIAMO CN(C(=O)[C@H]1CSC[NH2+]1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000159935744 197374749 /nfs/dbraw/zinc/37/47/49/197374749.db2.gz DJETWRNOTQENES-YPMHNXCESA-N 1 1 323.393 1.052 50 70 DDIAMO CC[C@@H](O)c1cc2n(n1)CCN(C(=O)CCn1cc[nH+]c1C)C2 ZINC000217180810 484144537 /nfs/dbraw/zinc/14/45/37/484144537.db2.gz LDERVAJNSMQBFL-OAHLLOKOSA-N 1 1 317.393 1.264 50 70 DDIAMO C/C(=C\c1ccco1)C[N@@H+]1CCn2nc([C@H](O)CO)cc2C1 ZINC000217048500 563942174 /nfs/dbraw/zinc/94/21/74/563942174.db2.gz OJQSRAQGRZUFOX-NYUWMOHMSA-N 1 1 303.362 1.421 50 70 DDIAMO C/C(=C\c1ccco1)C[N@H+]1CCn2nc([C@H](O)CO)cc2C1 ZINC000217048500 563942175 /nfs/dbraw/zinc/94/21/75/563942175.db2.gz OJQSRAQGRZUFOX-NYUWMOHMSA-N 1 1 303.362 1.421 50 70 DDIAMO Cc1cccc([C@@H](C(=O)NCCN2CCCCC2=O)[NH+](C)C)c1 ZINC000218122533 407511864 /nfs/dbraw/zinc/51/18/64/407511864.db2.gz HJNGKVDQOQCFPV-KRWDZBQOSA-N 1 1 317.433 1.726 50 70 DDIAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1[C@@H](COC)[C@H]2OCC[C@@H]12 ZINC000218742966 407522628 /nfs/dbraw/zinc/52/26/28/407522628.db2.gz VNRKZQMMEPVPBM-OJDYBEQGSA-N 1 1 307.394 1.002 50 70 DDIAMO CCc1nn(C)c(Cl)c1C[N@@H+]1CCCn2nc(CO)cc2C1 ZINC000217027993 407499164 /nfs/dbraw/zinc/49/91/64/407499164.db2.gz YWEPDGDNMVXYMO-UHFFFAOYSA-N 1 1 323.828 1.731 50 70 DDIAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCCn2nc(CO)cc2C1 ZINC000217027993 407499170 /nfs/dbraw/zinc/49/91/70/407499170.db2.gz YWEPDGDNMVXYMO-UHFFFAOYSA-N 1 1 323.828 1.731 50 70 DDIAMO C/C(=C\c1ccco1)C[N@@H+]1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217606334 407505158 /nfs/dbraw/zinc/50/51/58/407505158.db2.gz LQEJTPSYAAHVJF-YJJOXIQCSA-N 1 1 317.389 1.811 50 70 DDIAMO C/C(=C\c1ccco1)C[N@H+]1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000217606334 407505164 /nfs/dbraw/zinc/50/51/64/407505164.db2.gz LQEJTPSYAAHVJF-YJJOXIQCSA-N 1 1 317.389 1.811 50 70 DDIAMO Cc1nnc(CCNC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC000217376751 407500082 /nfs/dbraw/zinc/50/00/82/407500082.db2.gz HPORFXDJGMRJTD-CQSZACIVSA-N 1 1 322.409 1.947 50 70 DDIAMO CSc1ccc(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000217109013 484144045 /nfs/dbraw/zinc/14/40/45/484144045.db2.gz KEJYTXFKNODXFJ-CQSZACIVSA-N 1 1 307.463 1.313 50 70 DDIAMO CC(=O)c1cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)CC2)n(C)c1 ZINC000217518874 407503192 /nfs/dbraw/zinc/50/31/92/407503192.db2.gz OXAZDENLMFTMCL-MRXNPFEDSA-N 1 1 305.378 1.692 50 70 DDIAMO CCc1nc(N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)cc(C)[nH+]1 ZINC000218715698 407521207 /nfs/dbraw/zinc/52/12/07/407521207.db2.gz UJBASZIIWXDAFQ-OLZOCXBDSA-N 1 1 322.409 1.022 50 70 DDIAMO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@](C)(O)C1)c1ccccc1 ZINC000160196384 248313712 /nfs/dbraw/zinc/31/37/12/248313712.db2.gz WYAKJSZMHOCXLI-WMZOPIPTSA-N 1 1 319.449 1.252 50 70 DDIAMO CN1CCN(Cc2oc(C[NH+]3CCCCC3)cc(=O)c2O)CC1 ZINC000218383408 407519158 /nfs/dbraw/zinc/51/91/58/407519158.db2.gz MKPUMCQBFWUWLA-UHFFFAOYSA-N 1 1 321.421 1.079 50 70 DDIAMO CN(C(=O)[C@H]1CSC[NH2+]1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159935618 197375024 /nfs/dbraw/zinc/37/50/24/197375024.db2.gz DJETWRNOTQENES-DGCLKSJQSA-N 1 1 323.393 1.052 50 70 DDIAMO CSCCN1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000218546321 333393706 /nfs/dbraw/zinc/39/37/06/333393706.db2.gz DWLBDRDLGQQXSA-UHFFFAOYSA-N 1 1 307.467 1.166 50 70 DDIAMO Cc1ccccc1[C@H](C(=O)NCc1cnc2cnccn12)[NH+](C)C ZINC000217082554 484143585 /nfs/dbraw/zinc/14/35/85/484143585.db2.gz UXTCDLXBKFFOGT-QGZVFWFLSA-N 1 1 323.400 1.957 50 70 DDIAMO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)c(OC)c1OC ZINC000217784673 407508637 /nfs/dbraw/zinc/50/86/37/407508637.db2.gz QAUVFXIBHNSQGC-JYAVWHMHSA-N 1 1 307.390 1.915 50 70 DDIAMO COc1ccc(-c2nc3c([nH]2)C[N@@H+](C[C@@H]2CCOC2)CC3)cn1 ZINC000218508715 407520068 /nfs/dbraw/zinc/52/00/68/407520068.db2.gz VTCBIHIBQYZEOQ-LBPRGKRZSA-N 1 1 314.389 1.875 50 70 DDIAMO CC(=O)NC1CCC([NH2+]C[C@@H](O)CN2CCC(C)CC2)CC1 ZINC000161433061 337383421 /nfs/dbraw/zinc/38/34/21/337383421.db2.gz KFLKUTNXJNLKEI-OFLPRAFFSA-N 1 1 311.470 1.116 50 70 DDIAMO COCC[N@H+]1CC[C@H](CN(C)C(=O)c2ccc(C(C)=O)s2)C1 ZINC000218206652 407514954 /nfs/dbraw/zinc/51/49/54/407514954.db2.gz LPCKSAVVSGFSEB-CYBMUJFWSA-N 1 1 324.446 1.991 50 70 DDIAMO Cc1cccc([C@H](C(=O)NCCN2CCCCC2=O)[NH+](C)C)c1 ZINC000218122606 407512300 /nfs/dbraw/zinc/51/23/00/407512300.db2.gz HJNGKVDQOQCFPV-QGZVFWFLSA-N 1 1 317.433 1.726 50 70 DDIAMO Cc1ccccc1[C@@H](C(=O)NCc1cnc2cnccn12)[NH+](C)C ZINC000217082527 484144570 /nfs/dbraw/zinc/14/45/70/484144570.db2.gz UXTCDLXBKFFOGT-KRWDZBQOSA-N 1 1 323.400 1.957 50 70 DDIAMO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CSC[NH2+]1 ZINC000159679718 354234980 /nfs/dbraw/zinc/23/49/80/354234980.db2.gz GSDSZJBDPUPQBZ-GHMZBOCLSA-N 1 1 321.229 1.806 50 70 DDIAMO Cc1cc(C(=O)N2CCC[C@@]3(CCC[N@H+](C)C3)C2)cc(=O)[nH]1 ZINC000217543762 407504158 /nfs/dbraw/zinc/50/41/58/407504158.db2.gz ZLVXMSPYPLITLU-QGZVFWFLSA-N 1 1 303.406 1.631 50 70 DDIAMO O=C(c1cccc(=O)[nH]1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000217741435 407507795 /nfs/dbraw/zinc/50/77/95/407507795.db2.gz GSYBBDAJCGHCEX-UHFFFAOYSA-N 1 1 303.406 1.856 50 70 DDIAMO COCc1cc(C[N@@H+](C)C[C@@H](C)N2CCOCC2)ccc1OC ZINC000218459346 407518499 /nfs/dbraw/zinc/51/84/99/407518499.db2.gz URBBMXIKOQNZPC-OAHLLOKOSA-N 1 1 322.449 1.994 50 70 DDIAMO O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CSC[NH2+]1 ZINC000159679461 354235416 /nfs/dbraw/zinc/23/54/16/354235416.db2.gz GSDSZJBDPUPQBZ-WDEREUQCSA-N 1 1 321.229 1.806 50 70 DDIAMO CN1CC[C@@H]([N@@H+](C)CCC(=O)NCCCc2ccncc2)C1 ZINC000218273286 407515611 /nfs/dbraw/zinc/51/56/11/407515611.db2.gz BQVZQWYVPMFAPE-MRXNPFEDSA-N 1 1 304.438 1.156 50 70 DDIAMO CN(CCC(=O)NCCCc1ccncc1)[C@@H]1CC[N@H+](C)C1 ZINC000218273286 407515614 /nfs/dbraw/zinc/51/56/14/407515614.db2.gz BQVZQWYVPMFAPE-MRXNPFEDSA-N 1 1 304.438 1.156 50 70 DDIAMO CN(CCC(=O)NCCCc1ccncc1)[C@@H]1CC[N@@H+](C)C1 ZINC000218273286 407515618 /nfs/dbraw/zinc/51/56/18/407515618.db2.gz BQVZQWYVPMFAPE-MRXNPFEDSA-N 1 1 304.438 1.156 50 70 DDIAMO C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000217625149 407504764 /nfs/dbraw/zinc/50/47/64/407504764.db2.gz IDBMZQVOUBJGRZ-NSHDSACASA-N 1 1 306.410 1.282 50 70 DDIAMO O[C@@H]1CN(c2noc(C3CC3)n2)CC[N@H+](Cc2ccco2)C1 ZINC000217757427 407508363 /nfs/dbraw/zinc/50/83/63/407508363.db2.gz OSLYDMRAEZNEAB-LBPRGKRZSA-N 1 1 304.350 1.223 50 70 DDIAMO O[C@@H]1CN(c2noc(C3CC3)n2)CC[N@@H+](Cc2ccco2)C1 ZINC000217757427 407508370 /nfs/dbraw/zinc/50/83/70/407508370.db2.gz OSLYDMRAEZNEAB-LBPRGKRZSA-N 1 1 304.350 1.223 50 70 DDIAMO C[N@H+]1C[C@H](NC(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1CO ZINC000218421180 201539775 /nfs/dbraw/zinc/53/97/75/201539775.db2.gz RGGVXISVPVNCIB-MNOVXSKESA-N 1 1 317.216 1.717 50 70 DDIAMO C[C@@H]1C[N@H+](CCC(=O)NCCc2nc(C3CC3)no2)C[C@H](C)O1 ZINC000218277533 407516915 /nfs/dbraw/zinc/51/69/15/407516915.db2.gz CVHWOWFKDVDDLE-TXEJJXNPSA-N 1 1 322.409 1.105 50 70 DDIAMO Cc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc(C2CC2)n1 ZINC000160411571 337383489 /nfs/dbraw/zinc/38/34/89/337383489.db2.gz FMPWFDMTKYRDLL-OAHLLOKOSA-N 1 1 302.422 1.963 50 70 DDIAMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1ccc(F)cc1Cl ZINC000216915821 484142294 /nfs/dbraw/zinc/14/22/94/484142294.db2.gz SVIQDWPXTKSLON-ZDUSSCGKSA-N 1 1 313.804 1.384 50 70 DDIAMO COc1ccc(CCCNC(=O)C[C@H]2CN(C)CC[N@H+]2C)cc1 ZINC000217929704 545651517 /nfs/dbraw/zinc/65/15/17/545651517.db2.gz YYYSYLMBBGGQDR-INIZCTEOSA-N 1 1 319.449 1.380 50 70 DDIAMO COc1ccc(CCCNC(=O)C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000217929704 545651519 /nfs/dbraw/zinc/65/15/19/545651519.db2.gz YYYSYLMBBGGQDR-INIZCTEOSA-N 1 1 319.449 1.380 50 70 DDIAMO COc1ccc(CCCNC(=O)C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000217929704 545651523 /nfs/dbraw/zinc/65/15/23/545651523.db2.gz YYYSYLMBBGGQDR-INIZCTEOSA-N 1 1 319.449 1.380 50 70 DDIAMO Cc1nnc(CCNC(=O)[C@H](c2cccc(F)c2)[NH+](C)C)s1 ZINC000217376825 407501864 /nfs/dbraw/zinc/50/18/64/407501864.db2.gz HPORFXDJGMRJTD-AWEZNQCLSA-N 1 1 322.409 1.947 50 70 DDIAMO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCCC1 ZINC000218481977 407519425 /nfs/dbraw/zinc/51/94/25/407519425.db2.gz UJVRFVWHVUSRPY-UHFFFAOYSA-N 1 1 305.422 1.673 50 70 DDIAMO CN(C)C(=O)OCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000159394350 354234590 /nfs/dbraw/zinc/23/45/90/354234590.db2.gz TZNLNDCZLYCZLR-GFCCVEGCSA-N 1 1 307.398 1.491 50 70 DDIAMO Cc1ccc[nH+]c1NCCNC(=O)Cn1ncc2ccccc21 ZINC000218735142 407521542 /nfs/dbraw/zinc/52/15/42/407521542.db2.gz MMJIVWRDLIDLSE-UHFFFAOYSA-N 1 1 309.373 1.968 50 70 DDIAMO COCCN(C)CC(=O)N[C@@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000217744373 407507813 /nfs/dbraw/zinc/50/78/13/407507813.db2.gz KCAKSYCTANVFKC-LBPRGKRZSA-N 1 1 304.394 1.627 50 70 DDIAMO COCC[N@H+](C)CC(=O)N[C@@H](C)c1nc2cc(C)ccc2[nH]1 ZINC000217744373 407507818 /nfs/dbraw/zinc/50/78/18/407507818.db2.gz KCAKSYCTANVFKC-LBPRGKRZSA-N 1 1 304.394 1.627 50 70 DDIAMO COCC[N@@H+](C)CC(=O)N[C@@H](C)c1nc2cc(C)ccc2[nH]1 ZINC000217744373 407507823 /nfs/dbraw/zinc/50/78/23/407507823.db2.gz KCAKSYCTANVFKC-LBPRGKRZSA-N 1 1 304.394 1.627 50 70 DDIAMO COCC[N@H+](C)CC(=O)N[C@@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000217744373 407507831 /nfs/dbraw/zinc/50/78/31/407507831.db2.gz KCAKSYCTANVFKC-LBPRGKRZSA-N 1 1 304.394 1.627 50 70 DDIAMO COCC[N@@H+](C)CC(=O)N[C@@H](C)c1nc2ccc(C)cc2[nH]1 ZINC000217744373 407507836 /nfs/dbraw/zinc/50/78/36/407507836.db2.gz KCAKSYCTANVFKC-LBPRGKRZSA-N 1 1 304.394 1.627 50 70 DDIAMO O=C([C@H]1CCCCO1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000160361462 256588020 /nfs/dbraw/zinc/58/80/20/256588020.db2.gz XVUFLBFWNSVGKV-QGZVFWFLSA-N 1 1 302.418 1.942 50 70 DDIAMO Cc1nnc([C@@H]2CCCN(C(=O)Cn3c[nH+]c(C)c3C)C2)[nH]1 ZINC000218621474 407520844 /nfs/dbraw/zinc/52/08/44/407520844.db2.gz OBWOYQMPMJYPCO-CYBMUJFWSA-N 1 1 302.382 1.333 50 70 DDIAMO Cc1ccn(-c2ccccc2NC(=O)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000161334362 408588885 /nfs/dbraw/zinc/58/88/85/408588885.db2.gz CGOXNUCVPHQCKI-HNNXBMFYSA-N 1 1 300.362 1.450 50 70 DDIAMO Cc1ccn(-c2ccccc2NC(=O)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000161334362 408588890 /nfs/dbraw/zinc/58/88/90/408588890.db2.gz CGOXNUCVPHQCKI-HNNXBMFYSA-N 1 1 300.362 1.450 50 70 DDIAMO COCc1nc(C)cc(N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000160401063 408479411 /nfs/dbraw/zinc/47/94/11/408479411.db2.gz ZERPEMLZRWAHOK-AWEZNQCLSA-N 1 1 306.410 1.232 50 70 DDIAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cc3cnccn3)CC2)C[C@H](C)O1 ZINC000217091912 484144385 /nfs/dbraw/zinc/14/43/85/484144385.db2.gz QORLYSOUTHPYID-OKILXGFUSA-N 1 1 318.421 1.119 50 70 DDIAMO CC(C)[N@@H+](C)CC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000218115440 407513061 /nfs/dbraw/zinc/51/30/61/407513061.db2.gz NAVBZAWBSINYRD-SJORKVTESA-N 1 1 320.433 1.817 50 70 DDIAMO Cc1ccn(-c2ccccc2NC(=O)[C@H]2C[N@H+](C)CCO2)n1 ZINC000161334478 408590029 /nfs/dbraw/zinc/59/00/29/408590029.db2.gz CGOXNUCVPHQCKI-OAHLLOKOSA-N 1 1 300.362 1.450 50 70 DDIAMO Cc1ccn(-c2ccccc2NC(=O)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000161334478 408590034 /nfs/dbraw/zinc/59/00/34/408590034.db2.gz CGOXNUCVPHQCKI-OAHLLOKOSA-N 1 1 300.362 1.450 50 70 DDIAMO Cc1nc(=O)[nH]c(C)c1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+](C)C2 ZINC000217865552 407509488 /nfs/dbraw/zinc/50/94/88/407509488.db2.gz MDDLPXICZLLDBB-KBPBESRZSA-N 1 1 318.421 1.284 50 70 DDIAMO O[C@H]1CN(Cc2cc(C3CC3)on2)CC[N@H+](C2CCOCC2)C1 ZINC000217396652 407500446 /nfs/dbraw/zinc/50/04/46/407500446.db2.gz IQJBFHYEDRWADD-INIZCTEOSA-N 1 1 321.421 1.210 50 70 DDIAMO C/C(=C\c1ccco1)C[N@@H+]1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217606417 407503445 /nfs/dbraw/zinc/50/34/45/407503445.db2.gz LQEJTPSYAAHVJF-MSGBMKDASA-N 1 1 317.389 1.811 50 70 DDIAMO C/C(=C\c1ccco1)C[N@H+]1CCCn2nc([C@H](O)CO)cc2C1 ZINC000217606417 407503454 /nfs/dbraw/zinc/50/34/54/407503454.db2.gz LQEJTPSYAAHVJF-MSGBMKDASA-N 1 1 317.389 1.811 50 70 DDIAMO CC[C@H](NC(=O)CN1CCC[N@@H+](C)CC1)c1ncccc1C ZINC000218769106 407526157 /nfs/dbraw/zinc/52/61/57/407526157.db2.gz FJYMLNIGFTVKTD-HNNXBMFYSA-N 1 1 304.438 1.595 50 70 DDIAMO C[NH+](C)[C@H](C(=O)NCC1(C)COC1)c1ccc2c(c1)OCO2 ZINC000217472496 407505495 /nfs/dbraw/zinc/50/54/95/407505495.db2.gz OFCAOMRMZHYIEC-AWEZNQCLSA-N 1 1 306.362 1.171 50 70 DDIAMO Cc1[nH+]cn(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1C ZINC000218766191 407521639 /nfs/dbraw/zinc/52/16/39/407521639.db2.gz XUGDJFZJMNOEAZ-CABCVRRESA-N 1 1 307.394 1.200 50 70 DDIAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN1CCOCC1 ZINC000218677616 407523030 /nfs/dbraw/zinc/52/30/30/407523030.db2.gz LWOLOCFYIPGWSH-UHFFFAOYSA-N 1 1 314.389 1.129 50 70 DDIAMO Cc1nonc1CC(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000217936487 490697501 /nfs/dbraw/zinc/69/75/01/490697501.db2.gz WMWVUVFOTYOFLC-UHFFFAOYSA-N 1 1 315.377 1.050 50 70 DDIAMO Cc1nonc1CC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000217936487 490697505 /nfs/dbraw/zinc/69/75/05/490697505.db2.gz WMWVUVFOTYOFLC-UHFFFAOYSA-N 1 1 315.377 1.050 50 70 DDIAMO COCc1nc(N[C@H](C)c2n[nH]c(C)n2)cc(C2CC([NH3+])C2)n1 ZINC000218238235 201535982 /nfs/dbraw/zinc/53/59/82/201535982.db2.gz ILDCNHOVOWHQIM-MFAVDMRSSA-N 1 1 317.397 1.427 50 70 DDIAMO Cc1ncsc1CCNC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000218099179 407512285 /nfs/dbraw/zinc/51/22/85/407512285.db2.gz CLHKFXSQPAULPI-TXEJJXNPSA-N 1 1 311.451 1.610 50 70 DDIAMO CN(C)C(=O)OCCN1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000159523147 354234665 /nfs/dbraw/zinc/23/46/65/354234665.db2.gz PRKLGULYPCZEDE-UHFFFAOYSA-N 1 1 312.801 1.555 50 70 DDIAMO Cc1cc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c(C)o1 ZINC000217495194 407505820 /nfs/dbraw/zinc/50/58/20/407505820.db2.gz KUFPVUCQLGZAND-UHFFFAOYSA-N 1 1 319.405 1.323 50 70 DDIAMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(SCCO)cc1 ZINC000217880244 407509782 /nfs/dbraw/zinc/50/97/82/407509782.db2.gz WMYZXGARUGDLJY-CQSZACIVSA-N 1 1 308.447 1.985 50 70 DDIAMO Cc1cc([C@H]2CCCN2C(=O)CN2CCC[N@H+](C)CC2)no1 ZINC000218456283 407518941 /nfs/dbraw/zinc/51/89/41/407518941.db2.gz PUHRNCJLVBIUQS-OAHLLOKOSA-N 1 1 306.410 1.284 50 70 DDIAMO CSc1ccc(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000217109036 484143904 /nfs/dbraw/zinc/14/39/04/484143904.db2.gz KEJYTXFKNODXFJ-AWEZNQCLSA-N 1 1 307.463 1.313 50 70 DDIAMO C/C(=C\c1ccco1)C[N@@H+]1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217048465 563942041 /nfs/dbraw/zinc/94/20/41/563942041.db2.gz OJQSRAQGRZUFOX-MZTACXPWSA-N 1 1 303.362 1.421 50 70 DDIAMO C/C(=C\c1ccco1)C[N@H+]1CCn2nc([C@@H](O)CO)cc2C1 ZINC000217048465 563942042 /nfs/dbraw/zinc/94/20/42/563942042.db2.gz OJQSRAQGRZUFOX-MZTACXPWSA-N 1 1 303.362 1.421 50 70 DDIAMO CCc1[nH+]ccn1CCCNC(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000217007312 407499288 /nfs/dbraw/zinc/49/92/88/407499288.db2.gz AFMCPULAOLZXDV-UHFFFAOYSA-N 1 1 308.769 1.607 50 70 DDIAMO O=C(NCCc1cnccn1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000218765021 407521717 /nfs/dbraw/zinc/52/17/17/407521717.db2.gz DWXDESUVCACSHD-KRWDZBQOSA-N 1 1 310.401 1.800 50 70 DDIAMO CCc1[nH+]ccn1CC(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000218766597 407521921 /nfs/dbraw/zinc/52/19/21/407521921.db2.gz WJNBNUBEOKODSK-OAHLLOKOSA-N 1 1 320.437 1.159 50 70 DDIAMO CSCc1noc(CNC(=O)CC[N@H+]2C[C@@H]3CC[C@H]2C3)n1 ZINC000218541456 333393745 /nfs/dbraw/zinc/39/37/45/333393745.db2.gz VSIDHTQZNOXNBB-MNOVXSKESA-N 1 1 310.423 1.423 50 70 DDIAMO COc1c(C)c[nH+]c(CN2CCCn3nc(CO)cc3C2)c1C ZINC000217918925 277362937 /nfs/dbraw/zinc/36/29/37/277362937.db2.gz JIPSDVYARFUFQK-UHFFFAOYSA-N 1 1 316.405 1.802 50 70 DDIAMO CC(C)CN1CCC([NH2+][C@H]2C[C@@H](c3cc(=O)[nH]cn3)C2)CC1 ZINC000218590883 257273920 /nfs/dbraw/zinc/27/39/20/257273920.db2.gz OCDOQRJOTYPBMY-CTYIDZIISA-N 1 1 304.438 1.726 50 70 DDIAMO Cc1cc(=O)cc(C(=O)N2CCC([N@@H+](C)CCN(C)C)CC2)o1 ZINC000217634337 407505277 /nfs/dbraw/zinc/50/52/77/407505277.db2.gz ZYIXTONGWDDKBN-UHFFFAOYSA-N 1 1 321.421 1.046 50 70 DDIAMO Cc1cc(=O)cc(C(=O)N2CCC([N@H+](C)CCN(C)C)CC2)o1 ZINC000217634337 407505285 /nfs/dbraw/zinc/50/52/85/407505285.db2.gz ZYIXTONGWDDKBN-UHFFFAOYSA-N 1 1 321.421 1.046 50 70 DDIAMO COCC[N@H+]1CC[C@@H](CN(C)C(=O)c2ccc(C(C)=O)s2)C1 ZINC000218206579 407515732 /nfs/dbraw/zinc/51/57/32/407515732.db2.gz LPCKSAVVSGFSEB-ZDUSSCGKSA-N 1 1 324.446 1.991 50 70 DDIAMO COCc1cc(C[N@@H+](C)C[C@H](C)N2CCOCC2)ccc1OC ZINC000218459429 407518805 /nfs/dbraw/zinc/51/88/05/407518805.db2.gz URBBMXIKOQNZPC-HNNXBMFYSA-N 1 1 322.449 1.994 50 70 DDIAMO Cc1cc([C@@H]2CCCN2C(=O)CN2CCC[N@H+](C)CC2)no1 ZINC000218456197 407519073 /nfs/dbraw/zinc/51/90/73/407519073.db2.gz PUHRNCJLVBIUQS-HNNXBMFYSA-N 1 1 306.410 1.284 50 70 DDIAMO C[N@H+]1CCC[C@@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000217722805 407508812 /nfs/dbraw/zinc/50/88/12/407508812.db2.gz QRZDRAFEXZJZFI-CYBMUJFWSA-N 1 1 306.410 1.728 50 70 DDIAMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000216931027 484142565 /nfs/dbraw/zinc/14/25/65/484142565.db2.gz SOKQAPAHEQJJFX-GFCCVEGCSA-N 1 1 320.437 1.481 50 70 DDIAMO OCc1cc2n(n1)CC[N@H+](CCc1nc3cc(F)ccc3[nH]1)C2 ZINC000216909447 484142205 /nfs/dbraw/zinc/14/22/05/484142205.db2.gz BXFXDHCWOGGBPW-UHFFFAOYSA-N 1 1 315.352 1.449 50 70 DDIAMO OCc1cc2n(n1)CC[N@@H+](CCc1nc3cc(F)ccc3[nH]1)C2 ZINC000216909447 484142210 /nfs/dbraw/zinc/14/22/10/484142210.db2.gz BXFXDHCWOGGBPW-UHFFFAOYSA-N 1 1 315.352 1.449 50 70 DDIAMO CN1CC[C@H]([N@@H+](C)CCC(=O)NCCCc2ccncc2)C1 ZINC000218273318 407515807 /nfs/dbraw/zinc/51/58/07/407515807.db2.gz BQVZQWYVPMFAPE-INIZCTEOSA-N 1 1 304.438 1.156 50 70 DDIAMO CN(CCC(=O)NCCCc1ccncc1)[C@H]1CC[N@H+](C)C1 ZINC000218273318 407515810 /nfs/dbraw/zinc/51/58/10/407515810.db2.gz BQVZQWYVPMFAPE-INIZCTEOSA-N 1 1 304.438 1.156 50 70 DDIAMO CN(CCC(=O)NCCCc1ccncc1)[C@H]1CC[N@@H+](C)C1 ZINC000218273318 407515813 /nfs/dbraw/zinc/51/58/13/407515813.db2.gz BQVZQWYVPMFAPE-INIZCTEOSA-N 1 1 304.438 1.156 50 70 DDIAMO CCCCSc1ncc(CN2CC[N@H+](C)[C@@H](CO)C2)cn1 ZINC000217149239 484144517 /nfs/dbraw/zinc/14/45/17/484144517.db2.gz XNMMCQFEBBVZBO-CQSZACIVSA-N 1 1 310.467 1.477 50 70 DDIAMO CCCCSc1ncc(CN2CC[N@@H+](C)[C@@H](CO)C2)cn1 ZINC000217149239 484144523 /nfs/dbraw/zinc/14/45/23/484144523.db2.gz XNMMCQFEBBVZBO-CQSZACIVSA-N 1 1 310.467 1.477 50 70 DDIAMO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000217625070 407505042 /nfs/dbraw/zinc/50/50/42/407505042.db2.gz IDBMZQVOUBJGRZ-LLVKDONJSA-N 1 1 306.410 1.282 50 70 DDIAMO Cc1cc2c(cc1C(=O)N1C[C@@H]3CC[N@H+](C)[C@@H]3C1)OCCO2 ZINC000218675517 292001525 /nfs/dbraw/zinc/00/15/25/292001525.db2.gz YTDDBOXFPJKGQM-GXTWGEPZSA-N 1 1 302.374 1.542 50 70 DDIAMO OC[C@@H](O)c1cc2n(n1)CCC[N@@H+](CCc1cccc(F)c1)C2 ZINC000217039354 407499085 /nfs/dbraw/zinc/49/90/85/407499085.db2.gz ZHBLFOYZEXJBTJ-QGZVFWFLSA-N 1 1 319.380 1.496 50 70 DDIAMO COC(=O)N1CCCC[C@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000218318740 407514874 /nfs/dbraw/zinc/51/48/74/407514874.db2.gz AEDAOFRWKSIRHS-ZDUSSCGKSA-N 1 1 308.382 1.319 50 70 DDIAMO O=c1cc(CN2CCOCC2)oc(C[NH+]2CCCCC2)c1O ZINC000218441663 407517666 /nfs/dbraw/zinc/51/76/66/407517666.db2.gz KQDYQNNWLMNRIE-UHFFFAOYSA-N 1 1 308.378 1.164 50 70 DDIAMO Cc1nnc([C@H]2CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)[nH]1 ZINC000217985588 484146746 /nfs/dbraw/zinc/14/67/46/484146746.db2.gz ZPNVAFNYXZNICB-AWEZNQCLSA-N 1 1 307.442 1.403 50 70 DDIAMO Cc1n[nH]c([C@H]2CCC[N@H+](CC(C)(C)N3CCOCC3)C2)n1 ZINC000217985588 484146751 /nfs/dbraw/zinc/14/67/51/484146751.db2.gz ZPNVAFNYXZNICB-AWEZNQCLSA-N 1 1 307.442 1.403 50 70 DDIAMO Cc1n[nH]c([C@H]2CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)n1 ZINC000217985588 484146757 /nfs/dbraw/zinc/14/67/57/484146757.db2.gz ZPNVAFNYXZNICB-AWEZNQCLSA-N 1 1 307.442 1.403 50 70 DDIAMO Cc1nc([C@H]2CCC[N@H+](CC(C)(C)N3CCOCC3)C2)n[nH]1 ZINC000217985588 484146761 /nfs/dbraw/zinc/14/67/61/484146761.db2.gz ZPNVAFNYXZNICB-AWEZNQCLSA-N 1 1 307.442 1.403 50 70 DDIAMO Cc1nc([C@H]2CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)n[nH]1 ZINC000217985588 484146767 /nfs/dbraw/zinc/14/67/67/484146767.db2.gz ZPNVAFNYXZNICB-AWEZNQCLSA-N 1 1 307.442 1.403 50 70 DDIAMO CN(C(=O)[C@@H]1CSC[NH2+]1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000159935503 197375095 /nfs/dbraw/zinc/37/50/95/197375095.db2.gz DJETWRNOTQENES-AAEUAGOBSA-N 1 1 323.393 1.052 50 70 DDIAMO Cc1cc(C(=O)N2CCC[C@]3(CCC[N@H+](C)C3)C2)cc(=O)[nH]1 ZINC000217543838 407504851 /nfs/dbraw/zinc/50/48/51/407504851.db2.gz ZLVXMSPYPLITLU-KRWDZBQOSA-N 1 1 303.406 1.631 50 70 DDIAMO Cc1nnc([C@@H]2CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)[nH]1 ZINC000217985500 484146792 /nfs/dbraw/zinc/14/67/92/484146792.db2.gz ZPNVAFNYXZNICB-CQSZACIVSA-N 1 1 307.442 1.403 50 70 DDIAMO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(C)(C)N3CCOCC3)C2)n1 ZINC000217985500 484146795 /nfs/dbraw/zinc/14/67/95/484146795.db2.gz ZPNVAFNYXZNICB-CQSZACIVSA-N 1 1 307.442 1.403 50 70 DDIAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)n1 ZINC000217985500 484146801 /nfs/dbraw/zinc/14/68/01/484146801.db2.gz ZPNVAFNYXZNICB-CQSZACIVSA-N 1 1 307.442 1.403 50 70 DDIAMO Cc1nc([C@@H]2CCC[N@H+](CC(C)(C)N3CCOCC3)C2)n[nH]1 ZINC000217985500 484146807 /nfs/dbraw/zinc/14/68/07/484146807.db2.gz ZPNVAFNYXZNICB-CQSZACIVSA-N 1 1 307.442 1.403 50 70 DDIAMO Cc1nc([C@@H]2CCC[N@@H+](CC(C)(C)N3CCOCC3)C2)n[nH]1 ZINC000217985500 484146812 /nfs/dbraw/zinc/14/68/12/484146812.db2.gz ZPNVAFNYXZNICB-CQSZACIVSA-N 1 1 307.442 1.403 50 70 DDIAMO C[N@H+]1CCC[C@H](C(=O)NCCc2noc(C3CCCC3)n2)C1 ZINC000217722899 407508427 /nfs/dbraw/zinc/50/84/27/407508427.db2.gz QRZDRAFEXZJZFI-ZDUSSCGKSA-N 1 1 306.410 1.728 50 70 DDIAMO O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CSC[NH2+]1 ZINC000159679572 354235388 /nfs/dbraw/zinc/23/53/88/354235388.db2.gz GSDSZJBDPUPQBZ-QWRGUYRKSA-N 1 1 321.229 1.806 50 70 DDIAMO OC[C@H](O)c1cc2n(n1)CCC[N@@H+](CCc1cccc(F)c1)C2 ZINC000217039392 407498862 /nfs/dbraw/zinc/49/88/62/407498862.db2.gz ZHBLFOYZEXJBTJ-KRWDZBQOSA-N 1 1 319.380 1.496 50 70 DDIAMO Cc1[nH+]ccn1CCC(=O)NCCCn1c(C)cccc1=O ZINC000217553016 407505618 /nfs/dbraw/zinc/50/56/18/407505618.db2.gz UYFLPJUGCSKPCQ-UHFFFAOYSA-N 1 1 302.378 1.258 50 70 DDIAMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000216931051 484142125 /nfs/dbraw/zinc/14/21/25/484142125.db2.gz SOKQAPAHEQJJFX-LBPRGKRZSA-N 1 1 320.437 1.481 50 70 DDIAMO O=C([C@@H]1CCCCO1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000160361341 408476690 /nfs/dbraw/zinc/47/66/90/408476690.db2.gz XVUFLBFWNSVGKV-KRWDZBQOSA-N 1 1 302.418 1.942 50 70 DDIAMO OCc1cc2n(n1)CCC[N@H+](CCOCc1ccccc1)C2 ZINC000217001033 418560472 /nfs/dbraw/zinc/56/04/72/418560472.db2.gz FBCCUMLODWIJGG-UHFFFAOYSA-N 1 1 301.390 1.798 50 70 DDIAMO OCc1cc2n(n1)CCC[N@@H+](CCOCc1ccccc1)C2 ZINC000217001033 418560475 /nfs/dbraw/zinc/56/04/75/418560475.db2.gz FBCCUMLODWIJGG-UHFFFAOYSA-N 1 1 301.390 1.798 50 70 DDIAMO C/C=C(\C)C[N@H+]1CCN(c2ncnc3[nH]ccc32)C[C@@H](O)C1 ZINC000217122952 484144741 /nfs/dbraw/zinc/14/47/41/484144741.db2.gz MHAZMHCRNOJTOF-QQFGACLNSA-N 1 1 301.394 1.407 50 70 DDIAMO